data_r4coasf
# 
 loop_
  _audit.revision_id
  _audit.creation_date
  _audit.update_record
  1_0 ? 'Initial release'
  1_1 2014-04-30 'Obsolete, superceded by 4cz1'

_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4coa 
_cell.length_a      73.6950 
_cell.length_b      66.5610 
_cell.length_c      84.0610 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.2430 
_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   0.97911 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.250 
_diffrn_reflns.pdbx_d_res_low    84.060 
_diffrn_reflns.limit_h_max       32 
_diffrn_reflns.limit_h_min       -32 
_diffrn_reflns.limit_k_max       29 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       37 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            38877 
_diffrn_reflns.pdbx_number_obs   38032 
# 
_entry.id   4coa 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4coa 
_symmetry.space_group_name_H-M   'P 1 21 1' 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'       
2 '-X,  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  -32    0    1 o   97.280   30.594   28.057   17.386   28.057   17.386   28.057   17.386   97.280   43.267   97.280   43.267 0.000000 0.000000 
1 1 1  -32    0    2 o  109.586   33.063   35.262   20.373   35.262   20.373   35.262   20.373  109.586   46.758  109.586   46.758 0.000000 0.000000 
1 1 1  -32    0    3 o  243.369   29.441  131.443   36.068  131.443   36.068  131.443   36.068  243.369   41.636  243.369   41.636 -0.000000 0.000000 
1 1 1  -32    0    4 o  200.744   29.379   91.983   28.725   91.983   28.725   91.983   28.725  200.744   41.549  200.744   41.549 0.000000 0.000000 
1 1 1  -32    0    5 o  244.018   24.450  127.669   31.019  127.669   31.019  127.669   31.019  244.018   34.577  244.018   34.577 0.000000 0.000000 
1 1 1  -32    0    6 o  173.261   29.963   71.127   24.818   71.127   24.818   71.127   24.818  173.261   42.375  173.261   42.375 0.000000 0.000000 
1 1 1  -32    0    7 o   54.202   23.650   5.1444   13.873   5.1444   13.873   5.1444   13.873   54.202   33.447   54.202   33.447 -0.000000 0.000000 
1 1 1  -32    0    8 o  106.423   32.237   33.374   19.355   33.374   19.355   33.374   19.355  106.423   45.590  106.423   45.590 -0.000000 0.000000 
1 1 1  -32    1    1 o  255.424   21.828  135.955   21.683  121.559   29.978  151.751   31.401  240.694   31.916  270.154   29.785 -29.45996 43.65512 
1 1 1  -32    1    2 o  293.131   22.155  178.957   25.133  150.115   34.383  212.051   36.830  266.783   33.026  319.479   29.541 -52.69577 44.30992 
1 1 1  -32    1    3 o  194.293   28.482   85.032   21.439   52.800   29.838  119.430   30.825  150.778   46.279  237.807   33.216 -87.02902 56.96496 
1 1 1  -32    1    4 o  192.783   27.165   82.679   19.715   87.016   27.768   78.271   27.995  198.734   37.171  186.833   39.625 11.90076 54.33051 
1 1 1  -32    1    5 o  208.367   26.042   94.776   20.637   86.564   29.396  102.757   28.978  196.583   39.686  220.151   33.731 -23.56776 52.08368 
1 1 1  -32    1    6 o  136.195   27.150   41.926   15.260   33.919   22.349   48.920   20.887  124.137   40.314  148.253   36.376 -24.11603 54.29968 
1 1 1  -32    1    7 o  130.325   26.314   37.997   14.112   33.978   20.458   41.647   19.493  123.880   38.369  136.771   36.022 -12.89096 52.62864 
1 1 1  -32    1    8 o  107.990   25.362   24.709   12.486   23.737   18.061   25.600   17.282  106.633   36.283  109.348   35.446 -2.714745 50.72321 
1 1 1  -32    2    1 o  104.498   23.083   20.538   12.284  -0.4459   17.940   39.064   16.856   75.160   32.709  133.836   32.580 -58.67630 46.16658 
1 1 1  -32    2    2 o  261.516   22.293  142.806   22.513  117.515   30.896  171.438   32.874  235.688   33.592  287.344   29.317 -51.65572 44.58543 
1 1 1  -32    2    3 o  227.915   28.380  116.087   24.274   92.563   34.549  139.020   34.112  199.878   45.336  255.952   34.152 -56.07414 56.75995 
1 1 1  -32    2    4 o  179.783   27.134   72.399   18.967   49.174   26.796   95.721   26.852  146.322   43.633  213.243   32.267 -66.92102 54.26817 
1 1 1  -32    2    5 o  116.006   27.261   28.295   14.320   33.574   21.970   24.396   18.883  123.611   39.955  108.402   37.098 15.20934 54.52263 
1 1 1  -32    2    6 o  128.663   26.982   37.157   14.613   32.138   21.945   41.155   19.588  121.352   39.974  135.974   36.252 -14.62209 53.96457 
1 1 1  -32    2    7 o  115.502   25.074   28.863   13.184   15.310   19.419   40.453   17.957   95.600   36.839  135.404   34.025 -39.80448 50.14806 
1 1 1  -32    3    1 o  102.542   23.913   20.730   12.221   5.4413   18.269   33.110   16.440   82.034   34.244  123.050   33.387 -41.01670 47.82640 
1 1 1  -32    3    2 o  196.101   27.856   88.846   20.795   54.389   30.209  119.876   28.667  152.684   46.511  239.517   30.670 -86.83315 55.71261 
1 1 1  -32    3    3 o  266.921   24.012  152.091   24.764  160.399   33.488  142.065   36.788  276.803   31.002  257.039   36.676 19.76505 48.02305 
1 1 1  -32    3    4 o   80.530   24.003   4.4641   12.391   4.6676   21.004   4.3554   15.347   85.655   36.291   75.405   31.424 10.24937 48.00521 
1 1 1  -32    3    5 o   55.508   17.930  -7.0501   8.6854 -40.6509   19.535   1.2279   9.6964   52.610   25.999   58.405   24.697 -5.795227 35.85946 
1 1 1  -32    3    6 o   75.062   22.289   1.8810   9.7063   11.809   19.544  -1.3696   11.183   91.332   36.424   58.792   25.699 32.54027 44.57742 
1 1 1  -32    3    7 o   98.984   24.343   17.201   11.425   29.644   18.981   10.131   14.306  116.567   37.081   81.401   31.549 35.16582 48.68621 
1 1 1  -32    4    1 o  111.487   25.679   26.760   13.153   18.131   20.495   32.802   17.151  100.710   38.077  122.265   34.464 -21.55486 51.35797 
1 1 1  -32    4    2 o  132.938   28.429   40.161   15.958   34.430   26.016   43.618   20.204  125.932   43.524  139.944   36.585 -14.01208 56.85807 
1 1 1  -32    4    3 o   98.583   26.102   14.216   13.171   29.034   22.802   6.7974   16.134  117.257   40.734   79.909   32.649 37.34805 52.20369 
1 1 1  -32    4    4 o  190.752   27.570   83.064   20.019   60.765   29.499  102.102   27.257  161.197   45.114  220.307   31.704 -59.11026 55.14026 
1 1 1  -32    4    5 o  155.234   28.209   53.599   16.747   59.870   27.576   49.936   21.079  160.822   43.075  149.646   36.436 11.17570 56.41840 
1 1 1  -32    4    6 o  223.650   23.402  105.095   20.309  121.410   30.367   91.892   27.318  239.527   32.488  207.774   33.692 31.75246 46.80385 
1 1 1  -32    5    1 f  206.656   46.667   95.686   30.704   89.010   32.359  155.982   97.253  196.833   43.304  216.479   82.681 -19.64534 93.33445 
1 1 1  -32    5    2 o  267.333   47.202  165.160   31.428  158.563   32.807  238.695  109.534  275.219   30.546  259.446   89.326 15.77332 94.40493 
1 1 1  -32    5    3 o   85.026   23.046  -3.6085   10.675   32.237   21.785 -14.9373   12.247  121.379   39.821   48.673   23.212 72.70563 46.09200 
1 1 1  -32    5    4 o  141.020   25.696   34.368   14.766   80.111   26.718   14.251   17.718  189.912   37.382   92.128   35.266 97.78421 51.39165 
1 1 1  -32    5    5 o  158.077   29.045   59.504   18.276   44.725   29.496   68.714   23.285  139.397   46.365  176.757   34.996 -37.36053 58.08944 
1 1 1  -32    6    1 o  171.520   44.646   68.009   30.296   66.781   31.935   79.059   95.786  167.643   46.948  175.397   75.954 -7.754456 89.29257 
1 1 1  -32    6    2 o  166.422   45.806   37.372   23.208   29.950   23.942  152.992   94.494  118.729   41.712  214.115   81.566 -95.38596 91.61265 
1 1 1  -31    0    1 o  124.897   31.507   41.919   19.815   41.919   19.815   41.919   19.815  124.897   44.558  124.897   44.558 0.000000 0.000000 
1 1 1  -31    0    2 o   36.224   17.591  -7.5075   11.399  -7.5075   11.399  -7.5075   11.399   36.224   24.877   36.224   24.877 -0.000000 0.000000 
1 1 1  -31    0    3 o   71.425   28.047   14.725   16.311   14.725   16.311   14.725   16.311   71.425   39.665   71.425   39.665 -0.000000 0.000000 
1 1 1  -31    0    4 o  418.361   26.578  365.958   60.225  365.958   60.225  365.958   60.225  418.361   37.587  418.361   37.587 -0.000000 0.000000 
1 1 1  -31    0    5 o   62.905   26.544   9.2535   16.273   9.2535   16.273   9.2535   16.273   62.905   37.538   62.905   37.538 0.000000 0.000000 
1 1 1  -31    0    6 o   35.620   17.497 -10.1725   12.099 -10.1725   12.099 -10.1725   12.099   35.620   24.744   35.620   24.744 0.000000 0.000000 
1 1 1  -31    0    7 o   91.296   31.476   25.511   18.684   25.511   18.684   25.511   18.684   91.296   44.513   91.296   44.513 0.000000 0.000000 
1 1 1  -31    0    8 o  144.529   33.817   54.863   23.981   54.863   23.981   54.863   23.981  144.529   47.824  144.529   47.824 0.000000 0.000000 
1 1 1  -31    0    9 o   86.715   33.121   23.032   22.090   23.032   22.090   23.032   22.090   86.715   46.840   86.715   46.840 0.000000 0.000000 
1 1 1  -31    0   10 o  178.104   33.738   77.725   28.657   77.725   28.657   77.725   28.657  178.104   47.713  178.104   47.713 -0.000000 0.000000 
1 1 1  -31    0   11 o  287.287   60.577  233.182   83.614  233.182   83.614  233.182   83.614  287.287   85.668  287.287   85.668 -0.000000 0.000000 
1 1 1  -31    0   12 o   63.442   28.834   2.9632   23.080   2.9632   23.080   2.9632   23.080   63.442   40.777   63.442   40.777 -0.000000 0.000000 
1 1 1  -31    1    1 o   61.148   18.879  -1.6587   8.5909  -6.2003   13.109   1.7600   11.374   58.677   26.581   63.619   26.816 -4.942348 37.75829 
1 1 1  -31    1    2 o  117.632   25.602   29.903   12.896   29.289   18.817   30.446   17.710  116.743   36.898  118.521   35.502 -1.777580 51.20382 
1 1 1  -31    1    3 f  350.186   21.107  253.760   28.809  246.598   39.586  261.825   42.005  345.260   29.381  355.112   30.311 -9.851501 42.21378 
1 1 1  -31    1    4 o  103.093   26.237   19.002   13.651   28.988   20.723   11.345   18.145  116.881   38.862   89.305   35.259 27.57626 52.47332 
1 1 1  -31    1    5 o  210.152   24.377   94.255   19.503  103.906   28.044   85.215   27.141  222.765   32.260  197.540   36.554 25.22537 48.75329 
1 1 1  -31    1    6 o  129.655   26.645   36.852   15.052   21.865   21.601   50.997   20.985  107.149   39.366  152.160   35.918 -45.01091 53.28982 
1 1 1  -31    1    7 o   76.260   22.169   5.3108   10.654   1.5455   16.130   8.2246   14.189   73.812   31.554   78.708   31.147 -4.895203 44.33731 
1 1 1  -31    1    8 o  279.259   22.281  163.231   24.246  172.404   34.254  154.021   34.325  287.714   30.508  270.804   32.481 16.91010 44.56161 
1 1 1  -31    1    9 o  313.720   22.468  205.978   27.482  198.198   37.907  214.599   39.900  307.619   31.577  319.821   31.970 -12.20160 44.93538 
1 1 1  -31    1   10 f   94.976   23.805   7.6862   14.217 -25.1709   20.965   35.662   19.345   62.978   30.127  126.974   36.865 -63.99558 47.60912 
1 1 1  -31    1   11 o  159.812   44.123   6.4406   50.381 -110.3665   68.366  145.264   74.531   98.156   48.532  221.468   73.703 -123.3117 88.24694 
1 1 1  -31    1   12 o  332.314   24.718  236.541   31.973  216.317   44.771  257.591   45.675  316.725   36.223  347.904   33.642 -31.17923 49.43565 
1 1 1  -31    2    1 o  315.543   20.836  205.896   25.643  202.078   35.565  210.029   37.008  312.694   29.145  318.391   29.785 -5.697327 41.67263 
1 1 1  -31    2    2 o  199.688   24.541   85.606   18.530  100.121   26.484   71.687   25.934  219.316   30.945  180.061   38.097 39.25511 49.08111 
1 1 1  -31    2    3 f   83.459   23.255   9.6341   11.018   10.440   17.069   9.0581   14.426   86.530   34.187   80.387   31.534 6.142929 46.50973 
1 1 1  -31    2    4 o  195.796   28.263   85.197   20.788   87.337   30.940   83.437   28.066  197.163   41.525  194.429   38.353 2.734100 56.52669 
1 1 1  -31    2    5 o  202.293   24.347   87.421   18.736   97.422   26.960   78.078   26.058  215.791   32.015  188.794   36.690 26.99733 48.69448 
1 1 1  -31    2    6 o  177.138   26.004   69.025   17.659   57.172   25.594   79.795   24.396  159.030   40.983  195.245   32.018 -36.21494 52.00779 
1 1 1  -31    2    7 o  198.369   24.407   84.237   18.475   90.483   26.485   78.318   25.783  207.532   32.703  189.206   36.239 18.32584 48.81326 
1 1 1  -31    2    8 o   84.005   22.003   4.7623   11.807 -19.5023   17.383   25.548   16.089   58.631   27.875  109.378   34.051 -50.74725 44.00506 
1 1 1  -31    2    9 o  198.417   27.234   86.644   20.610  100.639   29.385   73.095   28.913  217.671   34.594  179.161   42.073 38.50986 54.46867 
1 1 1  -31    2   10 o  283.155   40.281  169.997   32.968  156.359   35.869  244.226   83.682  271.543   33.849  294.767   73.105 -23.22363 80.56143 
1 1 1  -31    2   11 o  278.049   35.655  131.678   30.880  292.309   77.240  101.119   33.689  345.360   57.311  210.737   42.433 134.6231 71.30995 
1 1 1  -31    3    1 o  108.513   25.185   23.867   12.200   29.990   19.109   19.654   15.852  117.945   37.173   99.082   33.989 18.86320 50.36956 
1 1 1  -31    3    2 o   90.197   24.058   13.875   11.419   10.533   18.783   15.834   14.383   89.186   35.661   91.209   32.301 -2.022560 48.11500 
1 1 1  -31    3    3 o  339.553   24.495  243.602   31.921  245.561   49.773  242.232   41.605  338.276   37.705  340.831   31.280 -2.554993 48.99072 
1 1 1  -31    3    4 o  125.175   27.302   34.414   15.543   18.900   23.384   46.691   20.803  105.075   40.444  145.275   36.686 -40.20046 54.60332 
1 1 1  -31    3    5 o  196.499   24.940   83.921   18.478   74.003   27.167   92.460   25.208  182.215   39.356  210.782   30.646 -28.56757 49.88032 
1 1 1  -31    3    6 o  138.771   27.032   41.317   14.945   52.813   23.768   33.800   19.220  153.380   39.478  124.163   36.938 29.21613 54.06369 
1 1 1  -31    3    7 o  194.395   24.108   78.989   17.533  108.688   26.891   57.028   23.124  228.630   30.140  160.160   37.635 68.47020 48.21591 
1 1 1  -31    3    8 o   96.857   25.572   16.690   13.162   10.709   20.056   21.215   17.444   91.044   36.691  102.669   35.631 -11.62508 51.14481 
1 1 1  -31    3    9 o   96.152   26.446   14.845   14.303   8.5164   22.886   18.901   18.322   92.545   38.454   99.759   36.316 -7.214157 52.89133 
1 1 1  -31    3   10 o  136.519   36.210   41.850   26.760   55.559   28.525 -58.7053   77.254  154.622   44.729  118.416   56.955 36.20592 72.41954 
1 1 1  -31    3   11 o  132.409   39.210   16.727   20.091   76.865   70.190   11.360   20.968  172.108   68.894   92.710   37.462 79.39835 78.42067 
1 1 1  -31    4    1 o  146.282   26.585   47.180   15.204   51.665   22.773   43.573   20.422  152.243   38.350  140.321   36.830 11.92232 53.17083 
1 1 1  -31    4    2 o  209.827   23.615   92.648   19.336   93.254   27.501   92.055   27.192  210.466   33.484  209.188   33.309 1.277267 47.23030 
1 1 1  -31    4    3 o  127.442   28.546   35.485   15.427   34.333   26.862   36.052   18.844  126.806   44.203  128.078   36.133 -1.271431 57.09203 
1 1 1  -31    4    4 o  261.351   23.137  145.339   23.088  174.429   32.288  114.898   33.029  290.751   28.457  231.951   36.489 58.80075 46.27349 
1 1 1  -31    4    5 o  145.598   27.294   48.472   15.910   38.439   24.786   55.504   20.750  131.697   42.425  159.500   34.351 -27.80276 54.58811 
1 1 1  -31    4    6 o  108.215   25.727   20.123   12.473   38.127   22.166   11.780   15.089  131.014   39.825   85.416   32.581 45.59742 51.45412 
1 1 1  -31    4    7 o  100.163   25.690   18.753   12.598   20.935   20.825   17.493   15.820  105.034   38.643   95.292   33.863 9.742355 51.38092 
1 1 1  -31    4    8 f  101.667   25.141   18.851   13.574   1.6490   20.497   32.288   18.116   81.936   35.309  121.399   35.798 -39.46278 50.28112 
1 1 1  -31    4    9 o  106.365   27.648   21.119   14.810   26.048   23.590   17.912   19.028  113.778   41.239   98.952   36.837 14.82524 55.29571 
1 1 1  -31    4   10 o  440.042   35.268  399.302   46.881  369.916   51.480  542.057  113.467  419.583   31.441  460.501   63.141 -40.91779 70.53541 
1 1 1  -31    4   11 o  114.551   34.726   18.523   19.754 -24.1402   70.514   22.156   20.578  123.128   57.803  105.974   38.500 17.15379 69.45158 
1 1 1  -31    5    1 o   84.264   30.256 -20.0727   15.070 -18.1833   15.428 -59.2787   70.281   54.875   26.137  113.653   54.576 -58.77741 60.51194 
1 1 1  -31    5    2 f  195.264   46.475   50.378   27.844   33.819   29.248  210.549   90.965  127.186   45.947  263.342   80.800 -136.1567 92.95000 
1 1 1  -31    5    3 o  371.680   25.732  302.094   36.027  255.155   55.489  336.300   47.369  341.073   41.690  402.287   30.173 -61.21356 51.46305 
1 1 1  -31    5    4 o  185.633   27.152   75.598   18.937   85.179   28.584   68.104   25.280  196.079   38.730  175.188   38.066 20.89084 54.30492 
1 1 1  -31    5    5 o  171.591   24.901   57.986   15.995   89.576   27.477   41.796   19.671  205.713   34.228  137.469   36.177 68.24380 49.80243 
1 1 1  -31    5    6 o  105.866   26.430   20.803   12.248   26.817   24.470   18.793   14.148  115.610   41.986   96.122   32.116 19.48867 52.86064 
1 1 1  -31    5    7 f   70.729   21.077   2.4976   10.045 -20.1300   20.884   9.3077   11.457   65.777   31.058   75.682   28.503 -9.904877 42.15435 
1 1 1  -31    5    8 o  218.425   24.456  102.418   20.276  115.714   29.160   89.971   28.212  234.703   31.837  202.148   37.131 32.55502 48.91153 
1 1 1  -31    5    9 o  124.361   38.637   19.944   24.459   23.291   25.423 -21.6732   89.641  111.566   42.354  137.156   64.633 -25.58918 77.27460 
1 1 1  -31    5   10 o  247.309   31.349   83.552   23.489  268.333   62.779   53.474   25.329  341.978   47.041  152.640   41.451 189.3384 62.69867 
1 1 1  -31    6    1 o  293.145   41.837  228.863   34.246  237.411   37.366  183.986   85.613  339.222   28.226  247.069   78.770 92.15279 83.67435 
1 1 1  -31    6    2 o  146.939   38.887   49.727   30.338   62.981   33.026 -21.8997   76.776  163.545   48.365  130.333   60.906 33.21135 77.77359 
1 1 1  -31    6    3 o  147.718   42.050   17.909   22.884   8.4139   23.958  116.734   77.291   94.099   39.242  201.337   74.382 -107.2380 84.09929 
1 1 1  -31    6    4 o  171.399   42.529   67.097   28.311   67.097   28.311   0.0000   0.0000  171.399   42.529  ?   ?       ?      ? 
1 1 1  -31    6    5 o  137.620   28.335   42.261   15.651   42.193   26.877   42.296   19.253  136.849   44.188  138.391   35.482 -1.542542 56.67077 
1 1 1  -31    6    6 o  242.492   23.364  123.857   22.087  129.305   32.128  118.975   30.414  247.409   33.277  237.575   32.805 9.833664 46.72816 
1 1 1  -31    6    7 o   76.653   21.160   4.8142   10.916 -30.0406   21.144   17.481   12.747   60.779   29.373   92.528   30.465 -31.74901 42.31901 
1 1 1  -31    6    8 o  126.323   26.293   35.143   15.730   9.6894   23.798   54.889   20.961   94.809   39.288  157.837   34.952 -63.02802 52.58553 
1 1 1  -31    6    9 o  174.119   43.943   68.136   27.325   66.597   28.508   85.532   95.843  169.647   43.004  178.591   76.647 -8.943909 87.88657 
1 1 1  -31    7    1 o  218.350   39.925  137.678   37.360  163.751   42.860   55.194   76.231  273.956   40.090  162.744   69.056 111.2113 79.84971 
1 1 1  -31    7    2 o  135.065   34.238   42.454   23.157   53.637   24.609 -43.9922   68.419  153.936   40.442  116.194   55.259 37.74138 68.47664 
1 1 1  -31    7    3 o  267.629   49.073  220.441   37.578  224.212   38.667  156.334  159.428  328.069   30.203  207.190   93.383 120.8786 98.14587 
1 1 1  -31    7    4 o  196.822   40.138   98.792   28.817  101.276   31.581   86.432   70.438  213.433   39.367  180.212   69.960 33.22137 80.27569 
1 1 1  -31    7    5 o  119.237   33.839   24.031   24.515   38.775   26.473 -64.7302   64.953  131.937   43.926  106.538   51.486 25.39906 67.67812 
1 1 1  -31    7    6 o   86.484   30.002 -21.7332   20.633 -14.3328   21.594 -99.4329   69.970   70.841   32.831  102.127   50.225 -31.28534 60.00381 
1 1 1  -31    7    7 f  126.942   39.177   23.190   23.208   26.215   23.878 -28.4550   98.653  113.974   41.463  139.911   66.484 -25.93726 78.35360 
1 1 1  -31    7    8 o  137.104   38.116   40.341   24.229   46.931   24.945 -69.6356  101.904  143.050   41.957  131.158   63.646 11.89209 76.23126 
1 1 1  -31    8    1 o  117.740   36.787   14.608   20.613   15.770   21.421   0.0762   75.774   98.744   38.512  136.736   62.690 -37.99104 73.57415 
1 1 1  -31    8    2 o  106.396   32.983   10.732   21.301   19.168   22.398 -69.0624   68.885  103.972   39.687  108.819   52.693 -4.846428 65.96606 
1 1 1  -31    8    3 o  141.907   45.864   20.464   25.295   18.805   25.787   62.708  130.123  106.860   42.083  176.953   81.505 -70.09292 91.72836 
1 1 1  -31    8    4 o  187.227   30.104  104.935   29.566  151.897   33.537 -58.9017   62.641  268.609   31.994  105.845   51.004 162.7637 60.20831 
1 1 1  -31    8    5 o  137.097   38.120   33.960   24.562   30.020   27.129   51.878   57.847  120.693   44.151  153.501   62.155 -32.80817 76.24002 
1 1 1  -31    8    6 o  118.818   35.132   21.825   23.214   26.658   25.185  -5.4706   59.858  115.248   42.482  122.389   55.967 -7.141556 70.26427 
1 1 1  -31    9    1 o  158.448   31.872   71.478   25.326   90.002   26.639 -102.7403   81.695  206.064   33.127  110.832   54.459 95.23228 63.74315 
1 1 1  -31    9    2 o  179.134   49.804   64.081   27.249   62.379   27.639  123.260  162.956  164.329   42.708  193.939   89.989 -29.61028 99.60891 
1 1 1  -31    9    3 o  274.690   38.937  222.074   36.479  261.457   42.520  112.270   70.999  352.922   30.873  196.457   71.492 156.4656 77.87340 
1 1 1  -31    9    4 o  141.285   36.786   46.435   25.882   54.557   28.563   9.1677   61.184  152.663   44.931  129.907   58.259 22.75589 73.57262 
1 1 1  -30    0    1 o  287.257   44.805  198.691   62.134  198.691   62.134  198.691   62.134  287.257   63.364  287.257   63.364 0.000000 0.000000 
1 1 1  -30    0    2 o   65.776   26.418   11.855   14.891   11.855   14.891   11.855   14.891   65.776   37.361   65.776   37.361 0.000000 0.000000 
1 1 1  -30    0    3 o  238.638   22.398  120.168   28.047  120.168   28.047  120.168   28.047  238.638   31.676  238.638   31.676 0.000000 0.000000 
1 1 1  -30    0    4 o   47.663   21.738   0.4970   13.270   0.4970   13.270   0.4970   13.270   47.663   30.743   47.663   30.743 -0.000000 0.000000 
1 1 1  -30    0    5 o   44.606   20.990  -3.5107   13.900  -3.5107   13.900  -3.5107   13.900   44.606   29.684   44.606   29.684 0.000000 0.000000 
1 1 1  -30    0    6 o   42.094   20.173  -6.5027   13.965  -6.5027   13.965  -6.5027   13.965   42.094   28.528   42.094   28.528 0.000000 0.000000 
1 1 1  -30    0    7 o  291.674   22.455  177.218   35.059  177.218   35.059  177.218   35.059  291.674   31.756  291.674   31.756 -0.000000 0.000000 
1 1 1  -30    0    8 o  288.544   22.627  173.756   34.900  173.756   34.900  173.756   34.900  288.544   32.000  288.544   32.000 0.000000 0.000000 
1 1 1  -30    0    9 o  148.549   34.353   57.666   24.953   57.666   24.953   57.666   24.953  148.549   48.582  148.549   48.582 -0.000000 0.000000 
1 1 1  -30    0   10 f  171.823   34.013   73.075   27.912   73.075   27.912   73.075   27.912  171.823   48.102  171.823   48.102 -0.000000 0.000000 
1 1 1  -30    0   11 o   76.402   31.208   16.049   21.292   16.049   21.292   16.049   21.292   76.402   44.134   76.402   44.134 0.000000 0.000000 
1 1 1  -30    0   12 o  690.633   38.320  1043.72  143.986  1043.72  143.986  1043.72  143.986  690.633   54.192  690.633   54.192 -0.000000 0.000000 
1 1 1  -30    0   13 o  159.707   39.171   69.540   31.156   69.540   31.156   69.540   31.156  159.707   55.395  159.707   55.395 0.000000 0.000000 
1 1 1  -30    0   14 o  302.478   25.789  194.582   41.392  194.582   41.392  194.582   41.392  302.478   36.472  302.478   36.472 0.000000 0.000000 
1 1 1  -30    0   15 o   37.121   18.706 -23.1564   16.891 -23.1564   16.891 -23.1564   16.891   37.121   26.454   37.121   26.454 0.000000 0.000000 
1 1 1  -30    1    1 o  190.080   31.301   56.493   18.481  137.757   46.453   41.211   20.144  243.215   50.591  136.945   36.874 106.2701 62.60287 
1 1 1  -30    1    2 o  177.765   24.507   68.473   16.531   86.518   23.392   50.468   23.366  204.916   29.252  150.615   39.329 54.30106 49.01454 
1 1 1  -30    1    3 o  207.927   21.276   89.426   17.198   99.174   24.570   80.062   24.081  219.581   28.674  196.274   31.440 23.30637 42.55198 
1 1 1  -30    1    4 o  147.343   24.268   47.063   14.637   25.886   20.649   68.449   20.752  112.475   38.781  182.210   29.184 -69.73488 48.53563 
1 1 1  -30    1    5 o  199.980   26.971   86.228   20.533  104.854   30.268   70.349   27.946  222.926   34.792  177.035   41.221 45.89203 53.94147 
1 1 1  -30    1    6 o   61.424   19.610  -5.9491   9.8972  -5.8529   15.082  -6.0219   13.117   63.935   28.778   58.913   26.647 5.021774 39.22042 
1 1 1  -30    1    7 o  127.336   25.139   31.775   14.757   60.343   21.941   8.1807   19.940  166.458   34.893   88.213   36.198 78.24557 50.27732 
1 1 1  -30    1    8 o  106.452   25.973   21.028   14.301   4.6095   20.936   35.390   19.581   85.912   36.307  126.992   37.152 -41.07962 51.94666 
1 1 1  -30    1    9 o  114.676   26.868   24.645   15.136   43.754   22.275   8.2546   20.629  140.062   39.205   89.291   36.750 50.77123 53.73610 
1 1 1  -30    1   10 o  135.359   28.548   40.066   16.539   52.223   24.163   29.349   22.686  152.434   40.086  118.283   40.657 34.15141 57.09508 
1 1 1  -30    1   11 o  237.427   25.087  119.860   23.199  128.623   32.976  111.274   32.642  246.682   34.255  228.173   36.660 18.50949 50.17332 
1 1 1  -30    1   12 o  457.039   44.206  511.650   73.731  697.006  110.508  362.933   98.985  546.979   51.771  367.100   71.668 179.8794 88.41142 
1 1 1  -30    1   13 o  318.551   24.542  215.137   30.346  245.664   44.014  187.477   41.897  341.259   33.051  295.844   36.290 45.41483 49.08451 
1 1 1  -30    1   14 o  152.055   28.185   47.900   19.692   92.472   29.301   11.191   26.592  204.202   38.174   99.909   41.477 104.2931 56.36966 
1 1 1  -30    1   15 o  113.355   29.263   24.803   17.066   34.690   25.141   16.356   23.239  125.583   42.808  101.128   39.911 24.45560 58.52670 
1 1 1  -30    2    1 o  515.149   26.004  526.072   47.148  656.756   92.070  479.620   54.891  547.780   43.070  482.518   29.151 65.26138 52.00826 
1 1 1  -30    2    2 o   97.784   24.035   18.791   11.276   15.331   17.206   21.396   14.928   93.821   35.009  101.747   32.940 -7.925789 48.06963 
1 1 1  -30    2    3 o  214.582   21.142   95.174   17.683  101.020   25.172   89.479   24.846  221.390   29.136  207.774   30.643 13.61642 42.28377 
1 1 1  -30    2    4 o  225.497   21.071  104.979   18.506  114.142   26.630   96.421   25.735  235.337   28.997  215.656   30.579 19.68135 42.14141 
1 1 1  -30    2    5 o   97.327   24.584   16.356   13.110  -2.0360   20.699   28.674   16.940   79.189   34.780  115.465   34.752 -36.27634 49.16702 
1 1 1  -30    2    6 o   97.930   24.317   15.289   13.208  -4.8529   19.634   31.939   17.852   74.631   33.269  121.230   35.476 -46.59931 48.63472 
1 1 1  -30    2    7 o  405.789   20.917  339.800   33.077  324.792   45.327  356.897   48.377  396.448   29.298  415.129   29.863 -18.68155 41.83466 
1 1 1  -30    2    8 o  238.786   23.459  119.682   21.854  123.447   31.272  116.089   30.552  242.522   33.043  235.050   33.308 7.471939 46.91715 
1 1 1  -30    2    9 o  293.095   22.135  178.484   25.217  201.256   36.675  158.065   34.729  311.434   30.177  274.756   32.390 36.67709 44.26930 
1 1 1  -30    2   10 o  258.110   23.801  140.565   23.923  133.590   34.265  147.198   33.415  251.098   34.968  265.122   32.297 -14.02469 47.60102 
1 1 1  -30    2   11 o  123.003   28.185   28.275   16.212   52.264   25.668   12.355   20.911  151.716   41.949   94.290   37.653 57.42552 56.36903 
1 1 1  -30    2   12 o  348.286   49.469  310.201   63.798  250.724   81.048  407.091  103.445  305.603   69.527  390.968   70.389 -85.36542 98.93748 
1 1 1  -30    2   13 o  136.755   28.019   37.127   20.898 -17.2640   31.894   78.048   27.664   86.624   40.059  186.885   39.185 -100.2605 56.03712 
1 1 1  -30    2   14 o  168.815   31.722   67.803   21.814   49.996   32.334   82.678   29.552  146.502   48.535  191.128   40.860 -44.62560 63.44477 
1 1 1  -30    3    1 o  239.955   26.831  109.913   22.484  155.355   45.457   95.195   25.870  265.735   43.835  214.175   30.953 51.55957 53.66180 
1 1 1  -30    3    2 o  150.792   24.386   50.249   15.052   25.538   21.631   73.444   20.957  112.586   39.641  188.997   28.415 -76.41123 48.77279 
1 1 1  -30    3    3 o  311.272   20.382  200.464   24.590  224.171   34.585  176.229   34.968  331.100   26.767  291.444   30.746 39.65649 40.76488 
1 1 1  -30    3    4 o  101.788   24.823   19.167   11.721   27.841   19.318   14.114   14.745  114.726   37.492   88.850   32.543 25.87601 49.64519 
1 1 1  -30    3    5 o  176.340   29.018   71.812   20.216   50.285   31.065   87.626   26.626  148.379   47.464  204.301   33.396 -55.92165 58.03547 
1 1 1  -30    3    6 f  183.650   24.583   71.560   17.203   84.559   25.609   60.871   23.222  200.950   32.657  166.351   36.752 34.59920 49.16503 
1 1 1  -30    3    7 o   80.758   23.733   5.3754   11.720   7.0259   20.378   4.5595   14.327   87.579   36.329   73.938   30.549 13.64182 47.46648 
1 1 1  -30    3    8 o  235.054   23.614  115.762   21.622  124.987   31.621  107.661   29.633  243.906   33.221  226.202   33.569 17.70485 47.22873 
1 1 1  -30    3    9 o  131.881   28.773   36.652   16.159   49.660   25.760   28.215   20.748  148.031   42.415  115.730   38.891 32.30103 57.54554 
1 1 1  -30    3   10 o  163.919   29.020   60.732   18.384   59.957   28.307   61.297   24.175  161.720   43.781  166.118   38.103 -4.397705 58.04011 
1 1 1  -30    3   11 o  319.836   40.672  230.890   37.207  221.752   40.833  275.595   90.315  325.270   32.169  314.401   74.714 10.86972 81.34479 
1 1 1  -30    3   12 o  269.141   36.146  122.188   30.927  279.321   75.207   90.210   33.928  340.490   56.601  197.793   44.973 142.6969 72.29268 
1 1 1  -30    3   13 o  141.182   30.481   45.279   20.955   11.497   32.326   69.763   27.520  106.984   45.159  175.379   40.953 -68.39457 60.96285 
1 1 1  -30    3   14 o   96.740   27.997   11.868   16.636   5.5822   27.446   15.519   20.916   95.808   41.064   97.671   38.066 -1.863136 55.99374 
1 1 1  -30    4    1 o  305.804   26.971  194.556   30.426  218.797   53.434  182.925   37.013  315.470   43.403  296.138   32.028 19.33203 53.94105 
1 1 1  -30    4    2 o  355.269   20.536  259.739   28.329  254.861   38.074  265.789   42.401  352.413   27.685  358.124   30.339 -5.710846 41.07241 
1 1 1  -30    4    3 o  497.612   20.578  508.396   39.794  484.690   53.455  537.867   59.600  485.474   28.216  509.750   29.961 -24.27676 41.15550 
1 1 1  -30    4    4 o  149.484   28.290   51.054   16.488   44.192   28.347   54.563   20.270  140.357   45.387  158.611   33.783 -18.25441 56.57918 
1 1 1  -30    4    5 o  110.974   26.443   24.223   13.222   32.214   21.834   19.595   16.615  122.267   39.854   99.681   34.764 22.58600 52.88541 
1 1 1  -30    4    6 f  145.386   28.055   48.018   16.633   37.459   24.940   56.478   22.323  130.604   42.596  160.169   36.525 -29.56479 56.11092 
1 1 1  -30    4    7 o  174.012   27.295   66.847   18.010   72.800   26.682   61.865   24.409  181.093   38.915  166.932   38.285 14.16037 54.59025 
1 1 1  -30    4    8 o  447.025   21.673  415.165   37.683  411.974   51.210  418.933   55.649  446.244   29.407  447.805   31.845 -1.560822 43.34565 
1 1 1  -30    4    9 o   93.201   26.048   12.898   13.820   2.5319   24.953   17.485   16.599   90.216   38.917   96.185   34.632 -5.968941 52.09534 
1 1 1  -30    4   10 o  141.990   29.981   46.178   17.907   39.110   28.723   50.672   22.903  133.445   45.754  150.534   38.756 -17.08936 59.96216 
1 1 1  -30    4   11 o  409.915   42.255  396.719   47.426  390.893   52.082  425.002  114.760  432.933   30.827  386.897   78.688 46.03555 84.51096 
1 1 1  -30    4   12 o  153.276   33.173   62.663   26.518 -49.4068   65.182   84.891   29.029  111.571   53.302  194.981   39.505 -83.40956 66.34597 
1 1 1  -30    4   13 o  147.982   31.681   42.372   19.329   79.155   34.977   26.201   23.192  182.324   48.365  113.641   40.934 68.68251 63.36246 
1 1 1  -30    4   14 o  131.725   29.552   26.081   17.622   73.703   32.438   6.1418   20.990  176.481   46.463   86.969   36.532 89.51253 59.10485 
1 1 1  -30    5    1 f  241.850   40.635  143.253   28.150  143.812   30.132  139.417   78.929  263.886   29.260  219.814   75.819 44.07219 81.26905 
1 1 1  -30    5    2 o   74.507   21.674   5.3160   9.9390  -5.7490   18.848   9.5780   11.697   72.273   32.379   76.741   28.820 -4.468399 43.34755 
1 1 1  -30    5    3 o  429.940   20.560  382.747   34.371  407.256   47.848  356.617   49.404  445.427   27.527  414.452   30.546 30.97516 41.11922 
1 1 1  -30    5    4 o  383.578   25.172  310.608   36.452  318.177   59.631  306.092   46.059  383.387   39.857  383.770   30.755 -0.3826904 50.34303 
1 1 1  -30    5    5 o  220.668   24.324  102.780   20.935   98.726   29.451  106.921   29.766  216.006   34.938  225.330   33.851 -9.324753 48.64736 
1 1 1  -30    5    6 o  101.815   25.780   20.358   13.080   9.3403   23.411   25.357   15.771   94.494   39.047  109.136   33.670 -14.64229 51.55940 
1 1 1  -30    5    7 o  177.077   27.104   68.532   18.072   78.039   27.614   61.410   23.901  187.581   38.996  166.573   37.654 21.00806 54.20770 
1 1 1  -30    5    8 o  112.660   27.989   24.663   14.557   30.715   25.329   21.678   17.788  121.464   42.881  103.857   35.984 17.60598 55.97856 
1 1 1  -30    5    9 o  147.721   30.211   48.794   17.911   52.394   29.834   46.765   22.396  150.801   46.274  144.641   38.853 6.160202 60.42221 
1 1 1  -30    5   10 o  180.810   29.846   72.254   20.376   86.550   32.447   62.946   26.182  194.596   43.786  167.025   40.571 27.57095 59.69255 
1 1 1  -30    5   11 o  186.905   37.840  102.480   35.092  125.998   37.564 -58.7716   98.360  240.341   40.051  133.470   64.213 106.8717 75.67980 
1 1 1  -30    5   12 o  353.738   36.812  284.453   42.221  314.214   84.995  274.703   48.648  348.240   64.932  359.237   34.702 -10.99652 73.62338 
1 1 1  -30    5   13 o   79.673   26.127 -12.2437   13.504   6.0669   34.305 -15.6010   14.690  104.677   45.392   54.669   25.884 50.00798 52.25353 
1 1 1  -30    6    1 o  143.837   38.701   24.004   19.567   16.569   20.591   93.212   62.822   99.283   38.015  188.391   67.423 -89.10786 77.40110 
1 1 1  -30    6    2 o   98.772   32.350  -0.2891   18.230   2.3959   19.053 -29.3837   62.719   80.397   34.330  117.147   54.842 -36.75028 64.70068 
1 1 1  -30    6    3 o  253.791   38.317  187.584   41.883  263.865   51.877   44.782   70.980  350.713   37.904  156.869   66.603 193.8439 76.63392 
1 1 1  -30    6    4 o  180.906   40.363   74.755   25.189   73.825   26.840   81.626   72.947  182.407   38.893  179.404   70.740 3.002380 80.72651 
1 1 1  -30    6    5 o  128.243   27.557   37.086   15.438   24.880   24.826   44.781   19.712  113.768   42.131  142.719   35.532 -28.95060 55.11368 
1 1 1  -30    6    6 o  166.376   27.653   63.106   17.687   51.632   26.912   71.830   23.466  150.559   43.414  182.192   34.263 -31.63278 55.30577 
1 1 1  -30    6    7 o  186.108   27.522   77.526   19.312   68.328   28.213   85.636   26.491  173.587   42.085  198.629   35.478 -25.04195 55.04399 
1 1 1  -30    6    8 o  215.448   25.367  100.245   20.742   94.423   30.185  105.454   28.551  206.738   38.841  224.158   32.639 -17.42029 50.73380 
1 1 1  -30    6    9 o  266.587   24.225  150.788   25.112  141.958   36.234  158.949   34.834  257.980   35.991  275.193   32.437 -17.21301 48.45088 
1 1 1  -30    6   10 o  268.617   45.588  178.242   36.240  174.146   39.052  203.650   97.266  286.207   34.965  251.028   84.206 35.17938 91.17669 
1 1 1  -30    6   11 o  245.993   37.528  142.071   30.636  150.748   63.746  139.464   34.936  236.128   66.401  255.858   34.990 -19.72997 75.05589 
1 1 1  -30    6   12 o  218.295   29.604   95.429   23.767  156.206   41.972   66.743   28.835  266.667   40.333  169.923   43.346 96.74406 59.20864 
1 1 1  -30    6   13 o  122.208   32.073   29.985   18.894   30.666   36.591   29.737   22.063  126.786   50.067  117.629   40.101 9.156670 64.14637 
1 1 1  -30    7    1 o  139.141   33.120   47.936   21.724   58.870   22.760 -64.0020   72.825  163.522   36.582  114.760   55.222 48.76213 66.24012 
1 1 1  -30    7    2 o  110.702   36.576 -16.8399   26.990 -22.8011   29.296   16.618   69.405   79.813   37.401  141.591   62.867 -61.77801 73.15128 
1 1 1  -30    7    3 o  168.429   39.821   24.899   21.739   10.131   22.898  159.785   69.202   94.605   38.802  242.254   69.549 -147.6489 79.64109 
1 1 1  -30    7    4 o  124.931   42.496  -6.5335   21.749  -9.2091   22.207   56.340  107.649   75.974   34.488  173.889   77.679 -97.91493 84.99101 
1 1 1  -30    7    5 o  156.744   40.382   52.038   25.605   51.103   27.500   58.131   70.199  149.609   44.102  163.880   67.658 -14.27097 80.76302 
1 1 1  -30    7    6 o  135.074   35.692   40.174   24.871   51.761   26.314 -56.8545   76.149  150.829   42.749  119.319   57.167 31.50936 71.38352 
1 1 1  -30    7    7 o  251.600   44.262  165.226   32.573  166.589   34.608  154.655   96.397  282.439   31.399  220.761   82.768 61.67751 88.52426 
1 1 1  -30    7    8 o  111.236   27.393   20.625   13.818   40.141   25.494   12.507   16.442  134.094   43.009   88.378   33.939 45.71601 54.78687 
1 1 1  -30    7    9 o  116.638   39.239  -9.9935   26.174 -12.2916   27.359   14.819   89.898   82.636   37.807  150.639   68.770 -68.00301 78.47710 
1 1 1  -30    7   10 o  251.029   45.593  176.585   38.689  181.765   41.853  146.154  101.441  290.732   36.890  211.327   83.390 79.40541 91.18513 
1 1 1  -30    7   11 o  197.035   36.834  107.033   29.365   51.631   64.312  121.625   33.007  155.706   64.560  238.363   35.484 -82.65724 73.66896 
1 1 1  -30    7   12 o  350.639   26.186  262.533   35.518  315.134   53.476  221.010   47.512  382.783   35.799  318.496   38.227 64.28702 52.37269 
1 1 1  -30    8    1 o  108.777   35.404  -1.9675   27.230   7.1818   29.124 -65.5432   76.770  100.070   42.580  117.485   56.575 -17.41557 70.80812 
1 1 1  -30    8    2 o  143.414   42.031   36.926   33.803   40.793   37.411   19.729   78.893  138.634   51.644  148.194   66.329 -9.560074 84.06292 
1 1 1  -30    8    3 o  216.309   41.184  108.712   27.516  106.486   29.377  124.624   78.560  224.899   33.472  207.719   75.261 17.18024 82.36894 
1 1 1  -30    8    4 o  146.392   41.444   42.583   24.519   46.074   25.101 -30.1377  114.557  142.814   42.145  149.970   71.374 -7.156235 82.88789 
1 1 1  -30    8    5 f  155.431   35.661   62.928   25.896   75.633   27.773 -21.6433   71.656  183.936   39.845  126.926   59.155 57.00956 71.32238 
1 1 1  -30    8    6 o  140.524   37.614   42.001   23.850   46.228   25.365   9.7510   70.064  142.859   42.418  138.189   62.130 4.670029 75.22893 
1 1 1  -30    8    7 o  133.737   32.605   42.241   23.844   59.577   25.361 -89.8052   69.993  162.500   40.212  104.974   51.336 57.52660 65.21044 
1 1 1  -30    8    8 o  240.154   40.199  111.401   28.767   95.055   31.176  205.077   74.632  206.204   40.188  274.104   69.634 -67.89961 80.39813 
1 1 1  -30    8    9 o  199.436   35.602  121.777   33.668  152.813   37.115 -22.4245   80.001  267.369   35.571  131.503   61.682 135.8670 71.20383 
1 1 1  -30    8   10 o  163.467   42.098   55.402   45.868  118.693   55.309 -84.0079   82.086  211.410   62.606  115.523   56.299 95.88673 84.19688 
1 1 1  -30    8   11 o  529.092   44.268  763.243   73.125  889.660   89.622  511.470  126.479  643.260   35.702  414.924   81.019 228.3364 88.53637 
1 1 1  -30    9    1 f  192.122   41.218  105.235   40.011  137.426   45.884   3.0725   81.740  241.559   50.309  142.685   65.305 98.87375 82.43597 
1 1 1  -30    9    2 o  219.679   40.146  117.075   27.707  116.970   29.827  117.736   74.823  236.132   32.369  203.227   73.478 32.90523 80.29126 
1 1 1  -30    9    3 o  197.319   38.245  121.631   30.775  134.860   31.566 -132.7591  138.419  253.781   31.873  140.857   69.533 112.9248 76.49026 
1 1 1  -30    9    4 o  165.307   36.455   72.102   26.314   82.857   28.645   13.956   66.606  192.853   39.393  137.761   61.353 55.09164 72.91092 
1 1 1  -30    9    5 o  136.270   39.188   28.818   23.940   25.540   25.631   51.223   67.017  114.839   42.753  157.701   65.688 -42.86282 78.37564 
1 1 1  -30    9    6 o  149.909   36.593   55.084   24.612   62.959   26.264  -1.6675   70.508  166.734   40.717  133.084   60.813 33.65056 73.18549 
1 1 1  -30    9    7 o  149.164   33.213   59.402   24.340   74.837   25.948 -53.7311   70.248  183.836   37.441  114.493   54.869 69.34331 66.42578 
1 1 1  -30    9    8 o  186.547   35.426  102.058   28.688  119.329   30.965  -2.5864   76.220  237.352   33.430  135.742   62.470 101.6101 70.85241 
1 1 1  -30    9    9 o  166.808   42.745   52.866   29.599   38.175   32.872  115.824   68.051  132.710   48.592  200.906   70.337 -68.19633 85.48978 
1 1 1  -30   10    1 o  146.709   49.696   9.4511   19.802   7.0715   19.967  152.066  154.575   86.719   35.966  206.700   92.656 -119.9810 99.39131 
1 1 1  -30   10    2 o  316.045   55.535  306.747   43.675  306.354   44.908  313.616  187.681  383.690   29.993  248.400  106.944 135.2899 111.0701 
1 1 1  -30   10    3 o  171.246   41.749   74.812   27.834   80.182   28.571 -25.3205  123.376  189.067   39.974  153.425   73.308 35.64191 83.49789 
1 1 1  -30   10    4 o  240.867   44.642  181.438   35.716  189.534   36.986   69.569  137.485  300.674   31.522  181.061   83.533 119.6130 89.28307 
1 1 1  -30   10    5 o  135.659   34.248   42.957   24.631   57.334   26.578 -44.5424   65.568  158.129   42.261  113.189   53.905 44.93980 68.49599 
1 1 1  -30   10    6 o  228.240   38.222  144.784   29.605  156.373   32.685   91.855   69.852  273.403   30.635  183.077   70.036 90.32632 76.44331 
1 1 1  -30   10    7 f  173.000   34.345   84.953   26.876  100.936   28.955 -14.5339   72.239  217.760   34.073  128.241   59.643 89.51932 68.68945 
1 1 1  -30   10    8 o  258.582   39.416  153.321   32.104  145.087   35.761  187.515   72.878  260.057   35.238  257.108   70.517 2.949097 78.83137 
1 1 1  -30   11    1 o  139.681   42.628   32.132   22.043   34.023   22.317 -43.2438  140.875  124.322   40.279  155.039   75.141 -30.71712 85.25604 
1 1 1  -30   11    2 o  230.834   44.642  161.391   33.877  167.123   34.907   68.585  140.463  281.918   31.729  179.751   83.456 102.1672 89.28368 
1 1 1  -30   11    3 o  195.057   39.048  114.290   30.159  124.737   31.168 -39.2356  119.482  242.845   32.889  147.268   70.832 95.57643 78.09512 
1 1 1  -30   11    4 o  203.963   43.865  113.076   30.910  116.358   31.874   61.295  126.608  233.238   35.020  174.688   80.437 58.54994 87.72998 
1 1 1  -30   11    5 o  252.405   49.092  188.409   35.546  189.516   36.414  166.027  163.749  300.338   31.069  204.472   93.139 95.86629 98.18442 
1 1 1  -29    0    1 o   47.100   20.906   2.5602   11.324   2.5602   11.324   2.5602   11.324   47.100   29.566   47.100   29.566 0.000000 0.000000 
1 1 1  -29    0    2 o  188.471   50.447  102.182   49.221  102.182   49.221  102.182   49.221  188.471   71.343  188.471   71.343 -0.000000 0.000000 
1 1 1  -29    0    3 o  238.878   21.986  119.575   27.627  119.575   27.627  119.575   27.627  238.878   31.092  238.878   31.092 0.000000 0.000000 
1 1 1  -29    0    4 o   66.331   26.390   12.152   14.673   12.152   14.673   12.152   14.673   66.331   37.322   66.331   37.322 -0.000000 0.000000 
1 1 1  -29    0    5 o   74.626   28.205   16.447   15.862   16.447   15.862   16.447   15.862   74.626   39.888   74.626   39.888 0.000000 0.000000 
1 1 1  -29    0    6 f  350.019   20.578  249.791   39.118  249.791   39.118  249.791   39.118  350.019   29.102  350.019   29.102 -0.000000 0.000000 
1 1 1  -29    0    7 o   54.557   24.848   1.0498   17.256   1.0498   17.256   1.0498   17.256   54.557   35.140   54.557   35.140 0.000000 0.000000 
1 1 1  -29    0    8 o   41.045   20.010 -10.7029   15.094 -10.7029   15.094 -10.7029   15.094   41.045   28.298   41.045   28.298 0.000000 0.000000 
1 1 1  -29    0    9 o   44.629   21.433  -7.7684   15.934  -7.7684   15.934  -7.7684   15.934   44.629   30.310   44.629   30.310 0.000000 0.000000 
1 1 1  -29    0   10 o  103.833   34.614   32.953   22.379   32.953   22.379   32.953   22.379  103.833   48.951  103.833   48.951 0.000000 0.000000 
1 1 1  -29    0   11 o   33.159   16.738 -19.8723   13.747 -19.8723   13.747 -19.8723   13.747   33.159   23.671   33.159   23.671 0.000000 0.000000 
1 1 1  -29    0   12 o   51.233   24.057  -3.7909   18.096  -3.7909   18.096  -3.7909   18.096   51.233   34.022   51.233   34.022 0.000000 0.000000 
1 1 1  -29    0   13 o   75.216   37.470 -55.1893   61.399 -55.1893   61.399 -55.1893   61.399   75.216   52.990   75.216   52.990 -0.000000 0.000000 
1 1 1  -29    0   14 o  122.621   36.911   44.572   25.400   44.572   25.400   44.572   25.400  122.621   52.200  122.621   52.200 -0.000000 0.000000 
1 1 1  -29    0   15 o  173.741   36.632   76.974   30.579   76.974   30.579   76.974   30.579  173.741   51.805  173.741   51.805 0.000000 0.000000 
1 1 1  -29    0   16 o  200.948   30.879   93.407   30.014   93.407   30.014   93.407   30.014  200.948   43.670  200.948   43.670 -0.000000 0.000000 
1 1 1  -29    0   17 o   84.910   33.495   21.727   23.381   21.727   23.381   21.727   23.381   84.910   47.368   84.910   47.368 0.000000 0.000000 
1 1 1  -29    1    1 o  183.298   21.880   70.049   15.135   57.729   21.096   83.116   21.727  164.310   34.021  202.285   27.523 -37.97527 43.76004 
1 1 1  -29    1    2 o  380.710   31.580  314.719   46.683  333.808   64.534  293.764   67.614  395.146   41.850  366.275   47.304 28.87048 63.15949 
1 1 1  -29    1    3 o  310.762   19.281  195.507   23.298  173.837   32.029  219.859   33.953  292.159   28.093  329.365   26.416 -37.20575 38.56161 
1 1 1  -29    1    4 o  211.718   20.495   91.712   16.906   97.253   23.874   86.139   23.943  218.458   28.004  204.977   29.932 13.48140 40.98995 
1 1 1  -29    1    5 o  233.474   20.903  111.741   19.043  111.121   26.717  112.381   27.151  232.878   29.399  234.070   29.724 -1.192032 41.80677 
1 1 1  -29    1    6 o  284.488   23.982  172.771   25.761  146.653   39.662  191.829   33.879  262.679   38.692  306.298   28.344 -43.61929 47.96302 
1 1 1  -29    1    7 o  382.334   23.101  298.931   33.505  283.253   42.244  325.517   55.012  371.446   29.143  393.223   35.850 -21.77734 46.20128 
1 1 1  -29    1    8 o  182.304   25.381   71.260   17.621   96.413   25.782   49.212   24.139  215.979   30.590  148.628   40.510 67.35115 50.76204 
1 1 1  -29    1    9 o  269.267   22.580  151.037   23.655  164.733   33.593  137.566   33.315  282.121   30.512  256.414   33.294 25.70596 45.16096 
1 1 1  -29    1   10 o  120.176   28.081   30.441   15.321   35.206   22.530   26.341   20.898  127.095   40.396  113.257   39.016 13.83791 56.16141 
1 1 1  -29    1   11 o  187.575   26.662   77.383   18.833   75.882   26.977   78.811   26.303  185.297   38.562  189.853   36.831 -4.556320 53.32440 
1 1 1  -29    1   12 o  109.480   23.935   17.196   15.017 -20.1416   21.969   49.938   20.573   68.134   32.074  150.826   35.537 -82.69251 47.87076 
1 1 1  -29    1   13 o  427.226   38.521  430.926   63.909  457.855   88.828  402.028   92.019  445.517   51.092  408.935   57.662 36.58167 77.04101 
1 1 1  -29    1   14 o  505.591   21.791  532.198   42.988  520.748   60.295  544.034   61.306  499.973   30.903  511.210   30.731 -11.23694 43.58221 
1 1 1  -29    1   15 o   88.221   25.134   5.5016   14.539 -12.3131   21.230   21.236   19.951   71.704   32.988  104.738   37.931 -33.03451 50.26877 
1 1 1  -29    1   16 o  123.430   29.437   31.902   17.115   43.345   25.182   22.077   23.333  138.320   42.524  108.540   40.715 29.77933 58.87337 
1 1 1  -29    1   17 o  220.199   27.142  106.539   22.841  111.611   32.735  101.728   31.887  227.310   36.903  213.088   39.810 14.22171 54.28302 
1 1 1  -29    2    1 o  146.539   34.895   34.231   16.470   29.676   17.449   71.407   49.850  118.156   35.205  174.922   60.259 -56.76633 69.78966 
1 1 1  -29    2    2 o  138.578   31.047   34.346   15.498   58.067   36.366   29.082   17.132  160.140   51.368  117.017   34.887 43.12321 62.09481 
1 1 1  -29    2    3 o  236.344   19.806  113.740   18.258  108.792   25.526  118.924   26.125  230.972   28.319  241.716   27.696 -10.74399 39.61161 
1 1 1  -29    2    4 o   99.504   23.753   19.735   10.997   16.390   16.673   22.312   14.631   95.274   34.648  103.734   32.501 -8.460487 47.50624 
1 1 1  -29    2    5 o  103.972   24.617   20.383   11.983   30.453   18.195   12.671   15.924  119.375   36.037   88.570   33.545 30.80557 49.23338 
1 1 1  -29    2    6 o  235.038   24.882  112.636   22.438  134.163   35.989   98.948   28.699  252.249   36.561  217.828   33.761 34.42052 49.76449 
1 1 1  -29    2    7 o   69.163   20.822  -2.4817   10.941 -23.9831   18.294   9.4923   13.652   58.263   27.943   80.063   30.878 -21.79962 41.64418 
1 1 1  -29    2    8 o  235.990   23.582  116.379   21.716  117.940   30.881  114.852   30.545  237.575   33.309  234.405   33.392 3.170059 47.16450 
1 1 1  -29    2    9 o  192.551   26.632   81.054   19.484   71.557   28.607   89.272   26.611  178.472   41.808  206.630   33.001 -28.15858 53.26332 
1 1 1  -29    2   10 o  314.292   22.177  205.346   27.160  220.476   38.937  191.008   37.904  326.026   30.604  302.558   32.103 23.46866 44.35333 
1 1 1  -29    2   11 o   84.506   24.953   5.8408   13.221   5.9900   22.353   5.7605   16.396   89.594   37.670   79.418   32.734 10.17650 49.90560 
1 1 1  -29    2   12 o  107.739   27.559   21.749   15.788   6.0840   24.791   32.435   20.477   93.263   39.466  122.215   38.475 -28.95253 55.11740 
1 1 1  -29    2   13 o  180.032   48.341   83.937   47.481   96.414   59.656   62.371   78.427  191.372   65.920  168.692   70.725 22.67979 96.68275 
1 1 1  -29    2   14 o  146.865   30.382   49.651   19.043   36.073   28.449   60.673   25.632  129.568   45.472  164.162   40.307 -34.59479 60.76477 
1 1 1  -29    2   15 o  205.069   28.074   93.891   21.825   71.351   30.920  116.269   30.810  175.528   44.946  234.610   33.652 -59.08148 56.14765 
1 1 1  -29    2   16 o   95.392   27.355   11.732   15.702   13.114   24.262   10.737   20.598   99.090   40.207   91.694   37.103 7.395973 54.71078 
1 1 1  -29    2   17 o  210.151   30.569   96.507   23.762  127.664   38.929   78.004   29.999  236.106   43.866  184.197   42.586 51.90868 61.13704 
1 1 1  -29    3    1 o  136.104   35.339   4.6073   14.435  -2.2056   14.921  104.141   57.031   67.584   29.610  204.624   64.177 -137.0401 70.67812 
1 1 1  -29    3    2 o  109.498   28.246   20.127   12.528   26.386   31.344   18.937   13.667  122.192   46.874   96.805   31.530 25.38668 56.49176 
1 1 1  -29    3    3 o  100.808   22.862   20.426   11.204   5.2286   17.576   30.830   14.542   81.407   33.752  120.210   30.847 -38.80317 45.72410 
1 1 1  -29    3    4 o  152.759   23.954   50.993   14.438   31.945   20.907   68.361   19.963  122.483   38.912  183.035   27.948 -60.55180 47.90856 
1 1 1  -29    3    5 o  367.985   20.165  277.809   28.869  291.635   40.050  262.857   41.650  378.355   27.125  357.616   29.845 20.73862 40.32980 
1 1 1  -29    3    6 o  116.569   26.897   29.289   14.689   13.411   25.190   37.470   18.081  101.731   41.077  131.408   34.733 -29.67702 53.79319 
1 1 1  -29    3    7 o  299.883   22.888  188.874   26.322  199.523   34.897  174.817   40.093  311.785   28.681  287.981   35.675 23.80411 45.77505 
1 1 1  -29    3    8 f  340.437   21.164  238.704   28.083  225.057   38.681  253.915   40.836  330.112   30.027  350.763   29.833 -20.65054 42.32774 
1 1 1  -29    3    9 o   64.594   20.675  -6.0939   10.874 -23.2253   20.818   0.3341   12.752   64.052   30.467   65.136   27.956 -1.083298 41.34962 
1 1 1  -29    3   10 o  267.922   22.766  149.728   23.788  156.803   34.315  143.183   33.005  274.068   32.085  261.776   32.308 12.29251 45.53296 
1 1 1  -29    3   11 o  138.172   29.357   42.723   16.992   41.469   26.419   43.607   22.191  136.425   43.785  139.920   39.118 -3.494720 58.71402 
1 1 1  -29    3   12 o  141.175   29.657   45.439   18.158   31.011   27.393   56.747   24.252  123.028   44.463  159.322   39.260 -36.29332 59.31488 
1 1 1  -29    3   13 o  237.551   50.884  152.199   49.344  137.536   60.719  180.717   84.676  228.521   64.997  246.581   78.308 -18.05911 101.7681 
1 1 1  -29    3   14 o  111.207   25.522   20.527   16.597 -23.6392   26.726   48.247   21.174   74.891   35.292  147.524   36.879 -72.63280 51.04485 
1 1 1  -29    3   15 o  146.576   30.435   48.895   18.360   49.418   28.819   48.538   23.819  146.587   45.563  146.565   40.362 0.2136230E-01 60.86969 
1 1 1  -29    3   16 o  104.448   28.660   17.519   16.281   24.788   26.659   13.195   20.560  114.384   43.384   94.513   37.464 19.87151 57.32087 
1 1 1  -29    3   17 o  102.732   27.454   15.087   17.819 -27.3837   31.774   34.571   21.522   80.726   38.175  124.739   39.464 -44.01332 54.90704 
1 1 1  -29    4    1 o  175.322   22.927   65.727   15.014   97.316   21.866   37.548   20.652  219.202   25.562  131.442   38.069 87.76024 45.85463 
1 1 1  -29    4    2 o  197.318   27.334   75.269   18.697  111.664   36.063   61.890   21.865  224.814   42.667  169.821   34.177 54.99294 54.66770 
1 1 1  -29    4    3 o  338.715   20.004  235.194   26.302  243.156   35.843  225.904   38.717  345.857   26.557  331.573   29.922 14.28387 40.00743 
1 1 1  -29    4    4 o  324.227   20.147  215.032   25.414  213.601   34.598  216.710   37.454  323.626   27.395  324.827   29.547 -1.201019 40.29301 
1 1 1  -29    4    5 o  237.368   27.732  129.627   23.360   88.438   36.278  158.801   30.532  196.128   47.829  278.609   28.082 -82.48062 55.46350 
1 1 1  -29    4    6 o  223.984   25.895  105.872   21.678   79.739   29.059  138.667   32.552  189.723   40.482  258.244   32.301 -68.52081 51.78986 
1 1 1  -29    4    7 o  275.571   22.107  157.699   23.728  167.595   33.454  147.680   33.659  284.884   30.092  266.259   32.394 18.62466 44.21410 
1 1 1  -29    4    8 o   98.623   26.616   15.753   13.483   19.010   23.927   14.238   16.321  106.150   40.895   91.097   34.076 15.05284 53.23108 
1 1 1  -29    4    9 o  471.886   21.639  460.919   39.581  534.226   57.379  394.369   54.671  509.149   28.879  434.623   32.234 74.52618 43.27811 
1 1 1  -29    4   10 o  132.428   28.783   39.988   17.209   21.512   28.082   51.101   21.778  112.786   44.065  152.070   37.041 -39.28430 57.56514 
1 1 1  -29    4   11 o  261.368   23.653  144.342   23.971  131.406   34.639  156.230   33.206  248.777   35.680  273.960   31.060 -25.18369 47.30540 
1 1 1  -29    4   12 o  543.943   34.079  613.844   57.021  578.483   63.102  771.242  133.131  527.477   30.656  560.410   60.875 -32.93311 68.15855 
1 1 1  -29    4   13 o  281.971   29.459  154.018   29.272  226.434   58.529  129.863   33.803  316.455   47.394  247.488   35.001 68.96748 58.91750 
1 1 1  -29    4   14 o  200.382   29.101   92.586   22.284   62.216   32.605  119.207   30.526  162.705   48.038  238.058   32.859 -75.35353 58.20150 
1 1 1  -29    4   15 o  204.848   27.214   89.147   21.050  119.430   32.865   68.081   27.411  236.485   35.612  173.211   41.160 63.27339 54.42728 
1 1 1  -29    4   16 o  310.246   24.137  204.152   29.108  181.178   40.124  229.673   42.291  290.952   35.339  329.541   32.886 -38.58884 48.27324 
1 1 1  -29    5    1 o  225.793   44.157  117.820   34.424  111.310   38.311  145.106   78.433  222.279   45.693  229.308   75.575 -7.029419 88.31425 
1 1 1  -29    5    2 o   93.058   24.741   15.149   12.040  -5.9321   26.161   20.815   13.562   85.927   38.346  100.190   31.274 -14.26373 49.48229 
1 1 1  -29    5    3 o  212.754   21.257   93.316   17.614   99.659   24.897   86.960   24.922  220.407   28.946  205.100   31.137 15.30659 42.51351 
1 1 1  -29    5    4 o  228.398   21.800  107.822   19.424  108.374   27.162  107.245   27.787  229.185   30.369  227.610   31.284 1.574509 43.60028 
1 1 1  -29    5    5 o  213.380   29.731  113.498   23.659   52.618   37.303  154.469   30.602  152.406   52.143  274.353   28.583 -121.9474 59.46290 
1 1 1  -29    5    6 o  131.367   26.949   38.429   15.743   18.991   23.895   53.337   20.927  106.209   40.882  156.525   35.123 -50.31557 53.89792 
1 1 1  -29    5    7 o  213.480   24.726   95.862   19.862  120.454   29.814   76.238   26.633  240.595   31.754  186.365   37.910 54.22992 49.45201 
1 1 1  -29    5    8 o  197.847   26.612   85.497   19.884   79.400   29.980   90.285   26.568  187.948   41.939  207.746   32.772 -19.79768 53.22491 
1 1 1  -29    5    9 o  172.611   28.989   66.520   18.987   69.372   29.810   64.573   24.628  174.294   43.862  170.929   37.914 3.365631 57.97731 
1 1 1  -29    5   10 o  414.832   21.632  357.800   34.977  366.823   48.739  348.219   50.223  420.979   29.668  408.684   31.491 12.29498 43.26499 
1 1 1  -29    5   11 o  195.500   27.261   83.919   20.093   80.614   31.025   86.306   26.369  188.381   43.133  202.619   33.349 -14.23860 54.52179 
1 1 1  -29    5   12 o  251.705   42.363  201.529   38.161  221.495   40.945   69.491  105.296  325.244   32.259  178.166   78.343 147.0784 84.72520 
1 1 1  -29    5   13 o  146.756   34.356   47.390   19.983   46.895   46.590   47.502   22.121  147.642   57.014  145.871   38.352 1.771576 68.71265 
1 1 1  -29    5   14 o  102.713   28.254   13.631   14.582   30.276   28.920   7.9575   16.885  122.606   45.459   82.820   33.565 39.78589 56.50751 
1 1 1  -29    5   15 o  110.200   27.486   22.898   17.162 -12.8638   30.131   40.069   20.879   86.481   39.606  133.919   38.123 -47.43771 54.97256 
1 1 1  -29    5   16 o  127.858   30.070   37.079   18.502   17.802   31.007   47.738   23.057  110.691   45.247  145.024   39.618 -34.33244 60.14080 
1 1 1  -29    6    1 o  515.026   32.561  586.608   64.039  589.028   83.020  583.052  100.628  522.975   40.679  507.077   50.852 15.89786 65.12100 
1 1 1  -29    6    2 o  272.219   37.274  165.159   27.896  162.296   30.256  181.392   72.042  281.759   27.517  262.680   69.283 19.07852 74.54780 
1 1 1  -29    6    3 o  377.953   31.143  309.428   36.637  307.455   41.148  316.977   80.474  387.942   27.180  367.964   56.043 19.97797 62.28598 
1 1 1  -29    6    4 o  154.895   41.855   30.388   27.003   16.817   29.298  106.954   69.591  109.659   44.293  200.130   71.032 -90.47144 83.71069 
1 1 1  -29    6    5 o  290.502   21.661  175.290   24.463  187.854   34.154  162.054   35.056  302.111   28.970  278.892   32.210 23.21890 43.32154 
1 1 1  -29    6    6 o  112.330   26.561   23.385   13.121   36.944   23.080   16.910   15.949  129.838   40.843   94.821   33.968 35.01712 53.12233 
1 1 1  -29    6    7 o  457.947   21.170  433.883   37.783  433.379   52.144  434.440   54.823  458.342   29.153  457.552   30.704 0.7904968 42.33937 
1 1 1  -29    6    8 o  285.816   22.960  170.725   25.579  182.111   36.707  159.977   35.664  295.441   31.838  276.190   33.090 19.25168 45.91921 
1 1 1  -29    6    9 o  130.533   27.089   28.227   13.971   63.760   27.492   15.855   16.222  167.765   42.069   93.301   34.139 74.46375 54.17875 
1 1 1  -29    6   10 o  203.956   26.618   89.645   20.404   94.090   31.982   86.593   26.497  205.001   41.404  202.911   33.462 2.090118 53.23536 
1 1 1  -29    6   11 o  155.607   41.148   55.258   28.268   60.632   29.668   2.3275   93.114  162.111   45.199  149.102   68.773 13.00987 82.29641 
1 1 1  -29    6   12 o  130.576   30.080   40.412   19.786 -13.2317   43.102   54.734   22.271  103.878   47.499  157.273   36.920 -53.39505 60.15977 
1 1 1  -29    6   13 f  197.267   29.941   88.135   21.917   87.929   35.140   88.267   28.038  194.056   46.919  200.478   37.208 -6.422379 59.88199 
1 1 1  -29    6   14 o  280.928   24.666  168.969   26.835  153.897   39.015  182.501   36.968  267.202   37.416  294.654   32.150 -27.45142 49.33124 
1 1 1  -29    6   15 o  152.684   29.044   57.135   20.369   15.320   32.930   83.048   25.923  110.569   46.050  194.799   35.405 -84.23001 58.08727 
1 1 1  -29    7    1 o  273.787   41.590  177.501   38.017  173.660   43.510  189.897   78.166  284.441   39.199  263.133   73.366 21.30838 83.18064 
1 1 1  -29    7    2 o  241.154   38.969  149.906   27.873  155.482   30.177  117.525   72.722  275.271   28.092  207.037   72.699 68.23476 77.93764 
1 1 1  -29    7    3 o  193.791   41.454   98.608   34.527  111.155   40.337   64.219   66.780  219.161   48.452  168.421   67.277 50.73991 82.90805 
1 1 1  -29    7    4 o  109.027   35.160  -6.5776   26.295  -9.4053   29.300   5.1239   59.604   88.105   39.842  129.948   57.944 -41.84304 70.31956 
1 1 1  -29    7    5 o  135.023   46.270 -27.6824   19.154 -32.2323   19.403  146.498  120.051   56.257   27.406  213.789   88.389 -157.5321 92.54031 
1 1 1  -29    7    6 o  153.521   47.931   30.754   24.246   29.603   24.597   70.199  143.977  119.842   42.263  187.199   86.042 -67.35661 95.86154 
1 1 1  -29    7    7 o  206.747   40.810  114.162   29.955  120.199   31.869   68.372   87.769  238.800   34.198  174.695   74.111 64.10538 81.62094 
1 1 1  -29    7    8 o  240.701   27.961  130.441   24.359   81.079   34.396  180.102   34.501  186.616   47.199  294.785   29.991 -108.1690 55.92173 
1 1 1  -29    7    9 o   96.712   26.892   14.152   13.253   13.525   27.422   14.344   15.138  103.818   42.508   89.606   32.950 14.21239 53.78303 
1 1 1  -29    7   10 o   92.446   26.416   11.592   13.233   5.5422   27.844   13.358   15.041   96.999   41.462   87.893   32.745 9.105812 52.83274 
1 1 1  -29    7   11 f  206.521   43.306  113.770   33.529  118.858   35.605   73.931   99.634  234.536   38.902  178.506   77.383 56.03006 86.61103 
1 1 1  -29    7   12 o  162.312   33.797   52.548   20.012   85.037   42.200   43.122   22.730  185.949   54.581  138.675   39.873 47.27432 67.59405 
1 1 1  -29    7   13 o  227.893   26.045  109.095   22.689  123.983   36.699   99.884   28.867  238.695   39.399  217.090   34.075 21.60529 52.08999 
1 1 1  -29    7   14 o  162.055   30.732   64.414   20.625   39.815   34.084   78.624   25.906  135.193   49.483  188.918   36.460 -53.72476 61.46453 
1 1 1  -29    7   15 o  137.783   30.431   45.083   18.483   28.773   33.016   52.528   22.307  122.707   47.825  152.858   37.644 -30.15160 60.86265 
1 1 1  -29    8    1 o  152.455   40.299   35.789   19.985   31.369   20.825   87.284   71.083  120.812   38.885  184.099   70.598 -63.28764 80.59795 
1 1 1  -29    8    2 o  164.218   36.179   69.075   23.280   75.850   24.580   10.084   72.531  187.234   34.926  141.202   63.370 46.03210 72.35743 
1 1 1  -29    8    3 o  237.453   44.641  136.529   38.569  126.129   44.930  165.657   75.190  231.387   51.121  243.519   73.198 -12.13219 89.28269 
1 1 1  -29    8    4 o  206.903   33.562  136.479   29.324  165.451   31.954 -18.1061   73.812  283.232   28.910  130.573   60.579 152.6592 67.12376 
1 1 1  -29    8    5 o  225.676   43.113  153.748   31.450  161.009   32.293   20.084  138.551  278.957   29.664  172.395   80.962 106.5626 86.22550 
1 1 1  -29    8    6 o  207.605   37.777  124.065   28.878  136.699   31.025   42.154   78.999  256.310   31.018  158.900   68.894 97.40985 75.55489 
1 1 1  -29    8    7 o  240.418   38.280  182.872   33.342  208.706   36.397   48.078   83.139  317.681   29.359  163.156   70.708 154.5253 76.56098 
1 1 1  -29    8    8 o  201.872   39.000  112.160   30.267  122.685   32.764   50.907   79.044  240.754   34.874  162.990   69.769 77.76427 77.99924 
1 1 1  -29    8    9 o  294.349   42.680  246.609   38.681  267.760   43.183  160.751   87.005  358.645   30.854  230.054   79.589 128.5916 85.36040 
1 1 1  -29    8   10 o  189.666   47.256   66.620   29.926   56.053   31.624  157.179   92.580  155.225   47.644  224.107   81.624 -68.88199 94.51178 
1 1 1  -29    8   11 o  441.464   23.068  408.381   39.682  384.910   54.417  435.036   57.991  427.998   32.581  454.930   32.665 -26.93188 46.13591 
1 1 1  -29    8   12 o   60.656   21.293 -10.8942   8.7385 -44.4396   33.889  -8.5049   9.0443   76.849   37.151   44.463   20.819 32.38654 42.58625 
1 1 1  -29    8   13 o  303.913   25.025  198.703   29.435  179.630   42.753  215.893   40.587  287.878   38.056  319.947   32.507 -32.06943 50.04968 
1 1 1  -29    8   14 o  314.436   24.401  210.798   29.874  217.340   43.967  205.188   40.718  318.244   35.402  310.628   33.590 7.615265 48.80167 
1 1 1  -29    9    1 o  231.759   41.805  129.707   27.692  129.073   29.307  134.986   84.580  249.536   30.096  213.982   78.006 35.55479 83.61046 
1 1 1  -29    9    2 o   94.960   31.569 -29.5965   29.707  -2.2990   33.267 -137.0725   66.009   98.411   43.618   91.509   45.650 6.901268 63.13800 
1 1 1  -29    9    3 o  198.931   40.151   92.322   26.649   90.531   28.834  102.817   69.792  203.202   37.751  194.660   70.875 8.542587 80.30190 
1 1 1  -29    9    4 o  239.254   52.407  120.228   30.204  115.017   30.858  239.251  147.479  233.699   33.836  244.808   99.202 -11.10892 104.8140 
1 1 1  -29    9    5 o  171.638   32.987   86.031   27.207  106.476   28.801 -83.5075   82.936  225.348   32.751  117.928   57.270 107.4197 65.97354 
1 1 1  -29    9    6 o  152.822   42.406   6.8721   21.559  -3.9273   22.361  149.279   81.200   80.448   35.703  225.197   76.931 -144.7495 84.81256 
1 1 1  -29    9    7 o  224.865   34.861  171.139   33.928  207.970   36.769 -39.9358   88.023  316.798   29.742  132.932   63.061 183.8659 69.72263 
1 1 1  -29    9    8 o  172.676   41.967   71.408   28.971   73.406   30.994   57.583   81.527  178.611   44.601  166.742   71.102 11.86855 83.93314 
1 1 1  -29    9    9 o  161.336   44.202   50.028   28.022   46.687   29.524   80.389   89.008  143.215   46.320  179.457   75.297 -36.24158 88.40361 
1 1 1  -29    9   10 o  246.414   43.878   99.554   32.524   71.259   34.974  280.555   88.457  173.089   49.363  319.738   72.556 -146.6489 87.75571 
1 1 1  -29    9   11 o  205.169   45.005  118.824   41.188  133.812   48.289   78.808   78.904  234.407   53.914  175.931   72.078 58.47650 90.01051 
1 1 1  -29    9   12 o  198.460   38.809  117.053   34.632  136.492   37.543   6.0803   89.702  250.689   38.376  146.230   67.467 104.4585 77.61815 
1 1 1  -29    9   13 o  118.388   40.097  -3.2270   27.073  -2.4225   27.993 -14.8719  106.496   90.073   39.962  146.703   69.527 -56.63017 80.19328 
1 1 1  -29   10    1 o  258.193   63.364  176.127   53.279  164.862   54.753  376.933  231.175  261.096   55.450  255.289  113.953 5.806732 126.7281 
1 1 1  -29   10    2 o  256.127   57.369  135.075   30.727  129.505   31.139  341.642  189.618  248.867   32.063  263.386  110.167 -14.51909 114.7380 
1 1 1  -29   10    3 o  196.025   52.207   66.450   25.967   62.421   26.373  194.069  148.432  166.416   40.901  225.634   96.070 -59.21721 104.4142 
1 1 1  -29   10    4 o  244.627   44.956  190.521   35.065  198.719   35.984   36.106  156.166  309.659   29.778  179.595   84.839 130.0641 89.91299 
1 1 1  -29   10    5 o  216.675   40.141  130.661   29.594  138.421   31.516   72.806   86.055  257.594   31.352  175.755   73.906 81.83902 80.28114 
1 1 1  -29   10    6 o  141.458   37.932   42.698   23.644   47.379   24.818  -3.3098   77.801  144.807   41.672  138.109   63.394 6.698227 75.86448 
1 1 1  -29   10    7 f  179.131   40.908   75.540   26.869   75.323   28.842   76.962   73.913  182.641   41.420  175.620   70.557 7.021637 81.81570 
1 1 1  -29   10    8 o  160.948   42.234   54.933   27.190   53.609   28.904   65.113   80.150  152.402   45.287  169.493   71.302 -17.09187 84.46835 
1 1 1  -29   10    9 o  171.550   43.498   64.002   29.853   58.528   32.483   93.760   75.740  157.751   48.264  185.349   72.381 -27.59848 86.99686 
1 1 1  -29   10   10 o  295.927   41.308  251.920   51.216  386.577   67.974   75.084   77.896  418.598   41.612  173.257   71.372 245.3411 82.61687 
1 1 1  -29   10   11 o  116.657   36.944   9.4677   28.519   17.707   30.655 -43.5599   77.767  110.447   45.051  122.867   58.566 -12.41988 73.88894 
1 1 1  -29   10   12 o  191.760   48.249   77.607   31.297   69.469   32.860  157.135  102.719  170.536   47.575  212.984   83.955 -42.44791 96.49783 
1 1 1  -29   11    1 o  124.450   44.270   5.6242   17.908   6.4369   17.992 -80.5910  185.320   82.920   34.245  165.980   81.650 -83.05981 88.54037 
1 1 1  -29   11    2 o  145.506   49.351   15.870   20.341   14.836   20.478   92.340  176.053   96.800   37.682  194.212   91.226 -97.41203 98.70229 
1 1 1  -29   11    3 o  136.086   44.116   22.641   21.437   24.076   21.632 -55.7185  159.855  110.153   39.549  162.020   78.872 -51.86657 88.23211 
1 1 1  -29   11    4 o  129.810   43.792   13.460   20.653   14.444   20.837 -41.3458  155.450   96.698   37.909  162.921   78.954 -66.22247 87.58354 
1 1 1  -29   11    5 o  311.395   50.050  357.205   47.070  369.773   48.297  119.238  210.165  422.433   29.298  200.356   95.717 222.0765 100.1003 
1 1 1  -29   11    6 o  223.831   46.687  141.916   31.969  144.961   32.526   55.265  173.525  263.107   31.678  184.557   87.837 78.54997 93.37476 
1 1 1  -29   11    7 o  402.650   29.340  336.480   46.102  336.480   46.102   0.0000   0.0000  402.650   29.340  ?   ?       ?      ? 
1 1 1  -29   11    8 o  267.389   34.638  152.106   36.143  152.106   36.143   0.0000   0.0000  267.389   34.638  ?   ?       ?      ? 
1 1 1  -29   11    9 o  289.177   51.813  294.402   49.511  300.812   50.694  161.833  230.546  375.737   34.573  202.616   97.689 173.1209 103.6263 
1 1 1  -29   11   10 o  219.132   40.394  138.209   43.259  192.067   53.182   32.895   74.367  289.375   47.095  148.890   65.641 140.4843 80.78779 
1 1 1  -29   12    1 o  216.820   46.470  125.423   30.818  127.258   31.480   83.134  151.120  245.883   32.808  187.757   86.957 58.12569 92.94025 
1 1 1  -29   12    2 o  220.291   48.140  120.998   31.497  120.196   32.319  136.168  140.511  237.837   34.821  202.745   89.762 35.09225 96.27983 
1 1 1  -29   12    3 o  331.921   54.032  371.833   48.046  379.200   49.775  271.250  183.917  427.013   29.870  236.829  103.853 190.1840 108.0635 
1 1 1  -29   12    4 o  295.761   51.421  290.895   43.098  296.337   44.289  193.807  187.079  377.225   30.086  214.296   98.343 162.9297 102.8417 
1 1 1  -29   12    5 f  130.256   45.910   3.4958   19.419   2.8581   19.563   46.276  160.238   81.481   34.790  179.031   84.974 -97.54993 91.81983 
1 1 1  -29   12    6 o  124.871   40.567   34.311   22.629   34.311   22.629   0.0000   0.0000  124.871   40.567  ?   ?       ?      ? 
1 1 1  -29   12    7 o  112.825   41.919   24.868   24.616   24.868   24.616   0.0000   0.0000  112.825   41.919  ?   ?       ?      ? 
1 1 1  -29   12    8 o  157.844   49.644   42.463   31.607   42.853   32.030   28.029  194.940  137.619   48.252  178.069   86.775 -40.45010 99.28834 
1 1 1  -29   13    1 o  189.914   42.424   93.450   28.473   96.845   29.344   38.786  117.746  212.811   35.334  167.016   77.142 45.79553 84.84865 
1 1 1  -29   13    2 o  123.902   40.952   5.2448   19.584   3.4041   19.986   49.634   98.146   82.660   35.225  165.144   73.943 -82.48362 81.90479 
1 1 1  -29   13    3 o  173.604   42.939   72.937   26.374   75.229   27.034   27.730  120.071  183.141   39.020  164.066   76.501 19.07539 85.87791 
1 1 1  -29   13    4 o  158.416   39.648   63.980   25.661   70.828   26.060 -154.6983  147.267  177.669   38.683  139.164   69.221 38.50476 79.29671 
1 1 1  -29   13    5 o  264.871   31.253  147.521   32.304  147.521   32.304   0.0000   0.0000  264.871   31.253  ?   ?       ?      ? 
1 1 1  -28    0    1 o  104.606   28.254   29.669   15.380   29.669   15.380   29.669   15.380  104.606   39.958  104.606   39.958 0.000000 0.000000 
1 1 1  -28    0    2 o  138.988   27.506   46.485   18.258   46.485   18.258   46.485   18.258  138.988   38.899  138.988   38.899 -0.000000 0.000000 
1 1 1  -28    0    3 o  282.324   38.282  179.895   53.300  179.895   53.300  179.895   53.300  282.324   54.139  282.324   54.139 -0.000000 0.000000 
1 1 1  -28    0    4 o  242.738   20.103  121.611   25.964  121.611   25.964  121.611   25.964  242.738   28.429  242.738   28.429 0.000000 0.000000 
1 1 1  -28    0    5 o  581.660   20.640  678.179   65.875  678.179   65.875  678.179   65.875  581.660   29.189  581.660   29.189 0.000000 0.000000 
1 1 1  -28    0    6 o  468.698   20.208  441.694   51.826  441.694   51.826  441.694   51.826  468.698   28.578  468.698   28.578 -0.000000 0.000000 
1 1 1  -28    0    7 o  287.995   21.119  170.417   32.740  170.417   32.740  170.417   32.740  287.995   29.867  287.995   29.867 0.000000 0.000000 
1 1 1  -28    0    8 o  341.923   26.568  244.107   48.591  244.107   48.591  244.107   48.591  341.923   37.573  341.923   37.573 -0.000000 0.000000 
1 1 1  -28    0    9 f  267.957   22.579  149.574   32.138  149.574   32.138  149.574   32.138  267.957   31.931  267.957   31.931 0.000000 0.000000 
1 1 1  -28    0   10 o  151.671   32.318   57.610   23.586   57.610   23.586   57.610   23.586  151.671   45.705  151.671   45.705 -0.000000 0.000000 
1 1 1  -28    0   11 o   57.251   25.659   3.2552   17.524   3.2552   17.524   3.2552   17.524   57.251   36.287   57.251   36.287 -0.000000 0.000000 
1 1 1  -28    0   12 o   27.131   14.008 -29.8958   12.697 -29.8958   12.697 -29.8958   12.697   27.131   19.810   27.131   19.810 -0.000000 0.000000 
1 1 1  -28    0   13 o   74.314   30.488   14.797   20.461   14.797   20.461   14.797   20.461   74.314   43.117   74.314   43.117 0.000000 0.000000 
1 1 1  -28    0   14 f  103.958   46.976   19.149   60.194   19.149   60.194   19.149   60.194  103.958   66.434  103.958   66.434 0.000000 0.000000 
1 1 1  -28    0   15 o   48.486   23.145  -7.1582   18.034  -7.1582   18.034  -7.1582   18.034   48.486   32.732   48.486   32.732 -0.000000 0.000000 
1 1 1  -28    0   16 o  204.021   31.358   96.134   30.944   96.134   30.944   96.134   30.944  204.021   44.347  204.021   44.347 0.000000 0.000000 
1 1 1  -28    0   17 o  398.033   21.837  324.966   47.304  324.966   47.304  324.966   47.304  398.033   30.882  398.033   30.882 0.000000 0.000000 
1 1 1  -28    0   18 o  299.749   23.920  188.896   38.271  188.896   38.271  188.896   38.271  299.749   33.827  299.749   33.827 -0.000000 0.000000 
1 1 1  -28    0   19 o  ?   ?  -52.6731   11.814 -52.6731   11.814 -52.6731   11.814  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1  -28    1    1 o  366.674   18.932  270.706   27.086  264.638   37.960  277.000   38.661  362.462   26.837  370.885   26.712 -8.422913 37.86431 
1 1 1  -28    1    2 o  372.228   18.934  278.815   27.489  268.824   38.182  289.564   39.606  365.310   26.783  379.147   26.769 -13.83670 37.86700 
1 1 1  -28    1    3 o  163.263   38.633   58.607   28.895   61.386   38.273   54.924   44.065  166.135   52.635  160.391   56.566 5.743774 77.26685 
1 1 1  -28    1    4 o  491.516   19.625  488.177   37.637  498.510   53.359  477.945   53.096  496.834   27.521  486.199   27.985 10.63528 39.24987 
1 1 1  -28    1    5 o  528.437   20.094  561.866   41.300  511.796   55.888  622.100   61.299  502.621   28.494  554.253   28.341 -51.63196 40.18830 
1 1 1  -28    1    6 o   89.014   21.904   10.023   11.203 -10.4423   16.508   27.494   15.252   63.806   29.256  114.223   32.607 -50.41688 43.80772 
1 1 1  -28    1    7 o  341.076   20.027  236.111   26.652  240.384   37.686  231.836   37.697  344.289   28.049  337.862   28.591 6.426605 40.05300 
1 1 1  -28    1    8 o  272.390   25.871  155.074   27.450  146.653   39.113  163.247   38.533  264.443   37.901  280.337   35.223 -15.89352 51.74115 
1 1 1  -28    1    9 o  383.594   20.484  296.800   30.352  243.884   40.806  362.329   45.410  344.963   30.312  422.226   27.560 -77.26309 40.96788 
1 1 1  -28    1   10 o  223.205   22.942  103.138   19.982  101.537   28.227  104.745   28.289  221.378   32.674  225.031   32.214 -3.652573 45.88389 
1 1 1  -28    1   11 o  251.132   22.886  130.622   22.225  108.969   30.638  154.670   32.289  228.229   34.400  274.034   30.194 -45.80510 45.77155 
1 1 1  -28    1   12 o   96.934   26.330   14.429   14.410   5.3499   21.299   22.093   19.569   87.570   36.793  106.298   37.674 -18.72810 52.65939 
1 1 1  -28    1   13 o  210.371   26.451   96.554   20.753  127.376   29.869   67.789   28.856  247.764   30.893  172.977   42.946 74.78662 52.90252 
1 1 1  -28    1   14 o  141.792   41.529   25.061   41.000   65.359   54.756 -26.3639   61.856  165.930   62.347  117.655   54.876 48.27503 83.05782 
1 1 1  -28    1   15 o  268.523   23.266  151.047   24.329  164.715   35.053  138.344   33.793  280.738   31.996  256.309   33.786 24.42944 46.53219 
1 1 1  -28    1   16 o   88.886   25.599   4.3146   14.676   21.126   22.083  -8.9843   19.641  106.641   39.687   71.132   32.345 35.50889 51.19825 
1 1 1  -28    1   17 o   97.476   31.836  -3.2949   20.422   0.6774   21.817 -31.4185   58.050   83.411   36.185  111.541   52.390 -28.12971 63.67159 
1 1 1  -28    1   18 o  117.838   29.846   28.604   17.459   25.039   25.982   31.539   23.575  114.350   42.951  121.325   41.452 -6.974541 59.69147 
1 1 1  -28    1   19 o  174.591   32.056   69.383   22.645   98.567   34.199   46.598   30.218  207.050   43.698  142.132   46.912 64.91812 64.11176 
1 1 1  -28    2    1 o  315.487   18.524  200.751   22.731  217.313   31.978  183.835   32.317  329.135   24.897  301.840   27.436 27.29483 37.04825 
1 1 1  -28    2    2 o  208.677   32.203   78.987   19.735   71.471   21.380  122.267   51.308  187.779   29.177  229.575   57.418 -41.79594 64.40533 
1 1 1  -28    2    3 o  245.896   37.387  130.987   34.052  109.940   42.896  166.851   55.996  220.939   50.812  270.853   54.858 -49.91443 74.77448 
1 1 1  -28    2    4 o  294.234   19.254  174.569   22.095  167.646   30.657  182.051   31.872  288.160   27.262  300.309   27.196 -12.14932 38.50788 
1 1 1  -28    2    5 o   97.627   24.808   16.991   11.938   19.911   18.339   14.844   15.727  103.041   36.476   92.212   33.633 10.82943 49.61532 
1 1 1  -28    2    6 o  333.420   19.764  225.407   25.676  239.335   36.315  211.485   36.308  344.121   27.042  322.720   28.830 21.40161 39.52765 
1 1 1  -28    2    7 o  214.281   27.331  101.631   21.315   81.806   33.870  114.633   27.428  191.396   45.932  237.167   29.635 -45.77174 54.66264 
1 1 1  -28    2    8 o  203.897   26.217   87.377   20.279   71.768   27.424  106.211   30.123  181.326   39.843  226.468   34.085 -45.14206 52.43323 
1 1 1  -28    2    9 o  389.383   20.384  308.470   30.909  283.211   42.457  336.955   45.086  372.239   29.228  406.527   28.420 -34.28839 40.76707 
1 1 1  -28    2   10 o  388.306   20.982  309.585   31.699  339.006   45.163  281.017   44.503  407.293   28.415  369.318   30.879 37.97443 41.96303 
1 1 1  -28    2   11 o  208.193   25.667   93.075   20.252   83.275   29.103  102.275   28.199  194.581   39.672  221.806   32.578 -27.22449 51.33430 
1 1 1  -28    2   12 o  102.938   26.928   15.812   14.454   31.652   23.420   6.0680   18.369  122.425   41.319   83.450   34.544 38.97466 53.85654 
1 1 1  -28    2   13 o  237.633   23.405  117.199   21.440  144.320   31.793   94.577   29.036  263.679   30.897  211.588   35.165 52.09100 46.81058 
1 1 1  -28    2   14 o  313.254   46.090  250.668   53.672  249.756   69.605  252.005   84.293  320.954   57.694  305.555   71.892 15.39914 92.17998 
1 1 1  -28    2   15 o  167.700   29.371   62.700   19.177   76.296   28.647   51.660   25.814  184.412   40.880  150.988   42.183 33.42487 58.74172 
1 1 1  -28    2   16 o  282.545   23.174  167.533   25.513  156.243   35.802  179.181   36.367  272.310   33.691  292.780   31.830 -20.47043 46.34892 
1 1 1  -28    2   17 o  240.244   40.009  121.167   29.437  110.211   32.124  178.565   73.530  227.135   36.242  253.353   71.340 -26.21750 80.01803 
1 1 1  -28    2   18 o  365.234   29.587  261.050   37.528  376.120   76.654  224.774   43.039  404.770   48.528  325.698   33.862 79.07132 59.17452 
1 1 1  -28    2   19 o  210.685   32.325  102.648   25.625  110.250   39.108   96.929   33.922  216.187   47.641  205.184   43.704 11.00354 64.65009 
1 1 1  -28    3    1 o  365.387   19.320  270.376   27.444  286.146   38.021  253.223   39.653  377.194   25.830  353.579   28.738 23.61493 38.64018 
1 1 1  -28    3    2 o  121.209   33.120   23.858   16.126   24.846   17.017   15.165   50.485  110.151   35.118  132.268   56.165 -22.11655 66.24045 
1 1 1  -28    3    3 f  340.217   24.425  234.478   30.599  250.832   53.492  226.524   37.305  346.049   39.611  334.385   28.588 11.66345 48.85019 
1 1 1  -28    3    4 o  205.488   21.810   86.059   17.432   77.181   24.270   95.518   25.053  194.202   32.025  216.775   29.616 -22.57320 43.61983 
1 1 1  -28    3    5 o  115.919   24.951   28.497   12.676   18.909   19.479   35.540   16.695  102.671   37.434  129.167   32.999 -26.49600 49.90241 
1 1 1  -28    3    6 o  306.388   20.188  191.190   24.024  211.255   33.913  170.980   34.036  323.253   26.884  289.524   30.124 33.72928 40.37620 
1 1 1  -28    3    7 o  281.278   24.284  165.937   25.569  155.068   41.626  172.523   32.403  271.264   39.323  291.291   28.505 -20.02640 48.56786 
1 1 1  -28    3    8 o   86.342   24.431   9.0847   12.112   8.8887   20.168   9.1952   15.149   90.235   36.643   82.450   32.323 7.785385 48.86189 
1 1 1  -28    3    9 o  281.715   21.239  162.330   23.036  199.388   33.663  129.692   31.591  312.964   27.563  250.466   32.321 62.49811 42.47808 
1 1 1  -28    3   10 o  411.148   20.932  346.798   33.540  340.739   46.107  353.608   48.880  407.767   28.975  414.529   30.216 -6.761841 41.86386 
1 1 1  -28    3   11 o  259.394   22.775  139.690   22.991  153.741   33.051  126.517   32.003  272.571   31.073  246.218   33.307 26.35329 45.55048 
1 1 1  -28    3   12 o  169.064   27.933   65.216   19.065   39.622   28.401   86.211   25.722  134.792   45.500  203.335   32.416 -68.54330 55.86678 
1 1 1  -28    3   13 o  154.755   28.192   50.331   17.536   77.636   27.621   31.894   22.697  187.322   39.050  122.188   40.673 65.13490 56.38469 
1 1 1  -28    3   14 o  196.310   48.041  103.645   44.740  109.766   55.698   92.511   75.117  205.723   63.243  186.897   72.332 18.82652 96.08109 
1 1 1  -28    3   15 o  157.695   29.282   57.836   18.795   40.246   28.500   71.372   25.002  135.041   45.580  180.349   36.771 -45.30832 58.56352 
1 1 1  -28    3   16 o  124.891   29.100   34.167   16.801   24.203   26.229   41.099   21.878  113.946   43.077  135.837   39.136 -21.89170 58.20051 
1 1 1  -28    3   17 o  133.897   38.766   29.994   25.091   29.951   26.987   30.268   68.137  121.140   44.078  146.654   63.784 -25.51360 77.53226 
1 1 1  -28    3   18 o  127.374   40.455   35.958   22.599   0.0000   0.0000   35.958   22.599  ?   ?   127.374   40.455      ?      ? 
1 1 1  -28    3   19 o  289.469   26.141  180.773   29.482  170.739   40.336  192.281   43.198  281.017   36.782  297.921   37.156 -16.90414 52.28250 
1 1 1  -28    4    1 o  323.865   18.810  211.137   23.691  207.239   32.070  215.818   35.148  320.967   25.604  326.763   27.563 -5.796356 37.62070 
1 1 1  -28    4    2 o  115.307   34.737   13.254   15.775   13.201   16.337   13.983   60.657   90.498   34.046  140.116   60.559 -49.61832 69.47343 
1 1 1  -28    4    3 o  246.285   23.978  118.226   21.747  145.711   39.094  105.909   26.170  264.285   37.906  228.284   29.377 36.00066 47.95657 
1 1 1  -28    4    4 o  188.143   24.361   73.926   17.356   58.730   23.783   91.239   25.386  164.885   37.773  211.400   30.772 -46.51474 48.72127 
1 1 1  -28    4    5 o  120.203   25.549   30.930   13.186   23.067   20.220   36.748   17.393  109.301   38.336  131.106   33.785 -21.80443 51.09873 
1 1 1  -28    4    6 o  242.320   21.555  120.319   20.292  133.159   28.749  107.570   28.646  255.830   28.796  228.810   32.081 27.01999 43.10952 
1 1 1  -28    4    7 o  178.492   30.557   71.904   20.588   64.760   34.298   75.928   25.741  168.906   49.101  188.078   36.388 -19.17159 61.11403 
1 1 1  -28    4    8 o   85.957   24.356   6.7782   11.591   16.789   21.217   2.5198   13.838  101.224   38.629   70.690   29.676 30.53400 48.71202 
1 1 1  -28    4    9 o  590.138   21.888  717.390   50.315  711.642   69.027  723.907   73.497  588.515   30.056  591.760   31.827 -3.244995 43.77546 
1 1 1  -28    4   10 o  273.012   22.972  155.170   24.138  125.085   33.560  187.416   34.744  244.058   35.237  301.965   29.484 -57.90704 45.94497 
1 1 1  -28    4   11 o  347.800   21.530  250.111   29.211  253.679   40.993  246.429   41.636  350.631   29.959  344.969   30.928 5.662750 43.05930 
1 1 1  -28    4   12 o  373.728   21.730  289.904   31.552  322.884   44.981  257.959   44.270  395.801   29.122  351.654   32.260 44.14706 43.45998 
1 1 1  -28    4   13 o  214.777   38.759  139.072   32.626  156.598   35.030   24.376   89.612  273.425   32.830  156.129   70.224 117.2956 77.51889 
1 1 1  -28    4   14 o  299.155   48.310  236.656   52.437  239.345   62.463  230.237   96.504  323.916   49.415  274.394   83.027 49.52188 96.61974 
1 1 1  -28    4   15 o  136.339   29.803   39.722   17.142   51.478   27.814   32.522   21.767  150.089   44.385  122.588   39.785 27.50121 59.60580 
1 1 1  -28    4   16 o  152.373   30.151   51.296   18.510   64.487   28.958   42.183   24.069  167.597   43.792  137.148   41.457 30.44841 60.30271 
1 1 1  -28    4   17 f  316.981   23.204  211.568   28.639  194.343   40.117  229.470   40.897  303.023   33.925  330.938   31.667 -27.91534 46.40794 
1 1 1  -28    4   18 o  208.467   38.604   96.534   30.249   0.0000   0.0000   96.534   30.249  ?   ?   208.467   38.604      ?      ? 
1 1 1  -28    5    1 o  277.006   40.295  223.465   32.117  245.238   34.915  103.691   81.890  348.952   25.640  205.061   76.403 143.8909 80.59071 
1 1 1  -28    5    2 o  129.406   23.620   34.197   12.259   49.602   18.795   22.793   16.172  152.911   32.499  105.901   34.285 47.00932 47.23973 
1 1 1  -28    5    3 o  119.212   27.797   29.696   14.435   21.678   27.626   32.707   16.930  114.540   43.990  123.883   33.993 -9.342506 55.59345 
1 1 1  -28    5    4 o  120.901   23.844   28.734   11.939   45.104   18.891   17.848   15.405  145.163   33.953   96.640   33.486 48.52363 47.68765 
1 1 1  -28    5    5 o  225.973   21.704  103.979   18.861   82.065   25.715  129.492   27.746  199.493   33.032  252.454   28.164 -52.96100 43.40855 
1 1 1  -28    5    6 o  414.891   25.061  364.711   39.220  328.998   61.958  388.589   50.663  393.783   40.319  435.999   29.776 -42.21573 50.12199 
1 1 1  -28    5    7 o  134.609   25.746   35.992   14.130   57.884   22.732   22.208   18.037  163.410   36.561  105.808   36.258 57.60191 51.49135 
1 1 1  -28    5    8 o  220.797   24.040  101.569   20.682   95.004   29.111  108.260   29.390  213.176   34.993  228.418   32.971 -15.24242 48.07928 
1 1 1  -28    5    9 o  128.265   28.317   35.273   15.404   36.605   25.143   34.472   19.490  130.387   42.780  126.143   37.111 4.244255 56.63378 
1 1 1  -28    5   10 o  286.122   22.716  170.091   25.356  166.784   35.346  173.597   36.395  283.344   31.966  288.900   32.282 -5.555573 45.43121 
1 1 1  -28    5   11 o  316.185   22.292  207.830   27.496  209.951   38.525  205.628   39.255  318.130   31.031  314.239   32.012 3.890778 44.58346 
1 1 1  -28    5   12 o   91.205   26.357   9.2192   13.259   12.318   26.469   8.1810   15.320  101.672   41.711   80.739   32.233 20.93333 52.71394 
1 1 1  -28    5   13 o  407.100   36.521  303.774   41.992  271.144   45.030  521.365  116.283  360.267   32.029  453.932   65.644 -93.66440 73.04111 
1 1 1  -28    5   14 o  210.340   31.851   77.009   22.109  161.584   48.942   55.326   24.781  263.800   49.356  156.880   40.273 106.9205 63.70182 
1 1 1  -28    5   15 o  143.024   29.740   46.596   17.518   41.923   28.893   49.313   22.029  137.156   45.895  148.893   37.836 -11.73727 59.48032 
1 1 1  -28    5   16 o  133.973   30.089   39.935   17.331   39.151   28.764   40.382   21.715  133.361   45.784  134.585   39.054 -1.224548 60.17736 
1 1 1  -28    5   17 o  226.980   29.294  120.273   24.502   70.578   35.281  166.574   34.055  171.702   49.766  282.258   30.917 -110.5560 58.58789 
1 1 1  -28    5   18 o  262.447   34.282  166.971   32.529  134.624   52.403  187.248   41.490  229.777   58.337  295.116   36.026 -65.33884 68.56443 
1 1 1  -28    6    1 o  137.930   38.757   24.704   17.437   22.794   17.996   54.035   70.519  107.036   36.218  168.824   68.533 -61.78807 77.51462 
1 1 1  -28    6    2 o  141.625   40.245   24.821   22.792   20.324   24.105   62.761   70.018  109.194   41.292  174.057   69.091 -64.86358 80.48962 
1 1 1  -28    6    3 o  286.431   36.284  146.166   26.886  133.392   28.552  246.106   79.864  256.045   28.576  316.816   66.706 -60.77124 72.56858 
1 1 1  -28    6    4 o  135.882   39.401   24.280   18.904   23.234   19.507   40.414   76.616  108.725   37.681  163.039   69.209 -54.31471 78.80199 
1 1 1  -28    6    5 o   69.574   22.591  -5.3833   7.7064   5.5348   26.016  -6.4335   8.0685   95.648   40.450   43.500   20.127 52.14830 45.18116 
1 1 1  -28    6    6 o  288.471   29.053  184.990   29.978  157.326   48.624  201.952   38.074  263.741   49.049  313.201   31.151 -49.45923 58.10515 
1 1 1  -28    6    7 o  169.651   27.910   64.621   18.381   47.528   26.797   79.810   25.260  146.197   43.643  193.106   34.801 -46.90865 55.81949 
1 1 1  -28    6    8 o  403.618   21.471  334.400   33.669  322.215   45.224  349.553   50.431  396.174   29.252  411.063   31.438 -14.88852 42.94238 
1 1 1  -28    6    9 o  224.884   26.110  110.089   21.848   85.965   31.316  132.964   30.495  196.218   42.154  253.550   30.820 -57.33260 52.21962 
1 1 1  -28    6   10 o  261.995   23.193  142.866   23.666  155.686   34.510  131.484   32.516  273.284   32.359  250.706   33.235 22.57787 46.38604 
1 1 1  -28    6   11 o  196.665   26.171   79.202   19.304  116.759   31.050   55.538   24.646  235.773   33.746  157.557   40.011 78.21645 52.34185 
1 1 1  -28    6   12 o  130.235   29.524   36.606   16.408   38.958   28.155   35.396   20.191  133.442   45.302  127.028   37.874 6.413658 59.04817 
1 1 1  -28    6   13 o  306.039   48.116  211.133   48.086  180.516   54.128  325.752  104.730  276.824   52.016  335.253   80.964 -58.42859 96.23298 
1 1 1  -28    6   14 o  140.932   33.060   42.147   18.671   47.251   40.788   40.794   21.001  146.270   54.035  135.594   38.107 10.67561 66.12044 
1 1 1  -28    6   15 o  243.335   25.044  126.296   23.673  118.866   34.356  133.014   32.666  235.339   37.409  251.330   33.306 -15.99103 50.08720 
1 1 1  -28    6   16 o   75.923   24.354  -9.6441   12.415   7.3089   27.587 -13.9493   13.902   97.885   41.539   53.960   25.436 43.92440 48.70788 
1 1 1  -28    6   17 o  241.788   32.605  124.832   27.359  158.504   52.473  112.259   32.063  254.742   54.435  228.833   35.904 25.90823 65.21003 
1 1 1  -28    7    1 o  124.597   37.580   19.889   17.607   21.060   18.040  -3.6673   80.911  104.095   36.227  145.099   65.853 -41.00345 75.15994 
1 1 1  -28    7    2 o  149.200   39.973   45.041   25.858   49.327   27.327   8.3676   79.935  149.189   43.960  149.211   66.776 -0.2198792E-01 79.94685 
1 1 1  -28    7    3 f  157.679   38.954   51.347   21.002   52.708   21.806   33.896   78.086  155.837   36.498  159.521   68.829 -3.684067 77.90746 
1 1 1  -28    7    4 o  384.474   33.920  318.868   38.088  315.434   41.946  335.003   90.925  393.795   27.295  375.153   62.107 18.64230 67.84052 
1 1 1  -28    7    5 o  166.476   44.670   50.240   31.459   42.308   34.320   91.960   78.711  141.057   49.903  191.895   74.105 -50.83760 89.34077 
1 1 1  -28    7    6 o  123.316   37.270   20.630   21.694   24.434   22.522 -28.2419   80.731  112.282   40.350  134.350   62.673 -22.06839 74.53902 
1 1 1  -28    7    7 o  420.765   28.982  363.368   47.588  363.368   47.588   0.0000   0.0000  420.765   28.982  ?   ?       ?      ? 
1 1 1  -28    7    8 o  430.713   21.521  381.631   36.030  365.155   48.473  401.974   53.861  421.098   29.498  440.328   31.345 -19.23038 43.04206 
1 1 1  -28    7    9 o  293.919   23.019  180.240   26.397  181.200   37.780  179.325   36.896  294.495   32.874  293.343   32.231 1.151398 46.03855 
1 1 1  -28    7   10 f  124.790   28.405   34.106   15.338   27.905   27.616   36.872   18.444  119.735   44.417  129.845   35.418 -10.10993 56.80907 
1 1 1  -28    7   11 o  152.941   27.373   44.368   15.649   78.667   28.961   30.224   18.598  187.539   40.738  118.342   36.572 69.19716 54.74538 
1 1 1  -28    7   12 o  158.553   35.683   67.846   29.481   88.557   31.163 -108.6173   90.964  198.693   41.529  118.413   58.039 80.27943 71.36618 
1 1 1  -28    7   13 o  167.237   31.774   57.629   18.547   79.585   39.236   51.312   21.046  181.764   52.424  152.710   35.918 29.05292 63.54824 
1 1 1  -28    7   14 o   99.325   25.630   17.994   14.175 -12.0537   27.745   28.608   16.490   83.577   38.174  115.074   34.209 -31.49783 51.25941 
1 1 1  -28    7   15 o  150.028   29.867   52.629   18.212   42.303   30.485   58.359   22.709  137.613   47.137  162.443   36.690 -24.83015 59.73326 
1 1 1  -28    7   16 o  254.720   44.689  189.417   37.808  198.354   40.684  132.825  102.373  305.721   34.101  203.719   82.617 102.0017 89.37774 
1 1 1  -28    7   17 o  308.883   33.252  215.188   34.616  228.978   65.699  209.889   40.728  303.167   57.639  314.599   33.174 -11.43298 66.50393 
1 1 1  -28    8    1 o  233.224   44.124  132.138   34.107  132.535   36.943  129.843   88.765  250.364   37.812  216.084   79.736 34.28079 88.24715 
1 1 1  -28    8    2 o  186.461   42.835   59.811   21.332   55.285   22.061  124.896   83.652  159.464   36.270  213.459   77.613 -53.99495 85.66967 
1 1 1  -28    8    3 o  152.036   37.955   50.512   21.380   53.948   22.157   4.0669   81.460  157.241   36.766  146.832   66.412 10.40869 75.90981 
1 1 1  -28    8    4 o  299.972   45.299  227.117   46.748  233.512   54.612  209.584   90.425  328.336   42.622  271.608   79.946 56.72827 90.59855 
1 1 1  -28    8    5 o  174.231   38.557   75.358   24.575   80.279   25.808   27.528   80.455  193.003   35.577  155.460   68.417 37.54359 77.11446 
1 1 1  -28    8    6 o  389.880   63.299  454.076   51.538  451.522   52.979  499.092  222.444  468.780   28.960  310.980  123.240 157.8005 126.5973 
1 1 1  -28    8    7 o  389.957   33.915  317.461   40.063  303.734   44.249  379.901   94.373  383.858   29.539  396.057   61.060 -12.19922 67.83008 
1 1 1  -28    8    8 f  227.179   41.116  136.245   31.121  142.227   33.661  101.048   81.652  260.707   33.086  193.651   75.283 67.05589 82.23262 
1 1 1  -28    8    9 o  141.895   34.841   48.295   26.079   64.851   27.640 -85.9850   78.715  169.437   42.010  114.354   55.594 55.08318 69.68180 
1 1 1  -28    8   10 o  106.101   37.005 -19.2068   22.831 -18.7530   23.563 -26.1696   92.301   72.098   33.709  140.104   65.888 -68.00520 74.01041 
1 1 1  -28    8   11 o  235.214   45.746  136.161   32.788  134.340   34.619  152.031  102.184  251.779   35.234  218.650   84.435 33.12947 91.49166 
1 1 1  -28    8   12 f  189.151   27.378   75.965   19.138   96.511   31.269   63.660   24.199  208.594   39.867  169.707   37.536 38.88725 54.75673 
1 1 1  -28    8   13 o  219.876   31.948  111.230   25.347  103.924   44.097  114.835   30.975  206.534   54.076  233.219   34.035 -26.68462 63.89518 
1 1 1  -28    8   14 o  141.376   28.198   48.014   18.154   15.124   30.465   66.124   22.607  108.436   44.648  174.316   34.454 -65.88005 56.39650 
1 1 1  -28    8   15 o  112.772   28.256   19.009   14.250   44.831   28.393   10.314   16.476  140.317   45.428   85.227   33.615 55.08984 56.51252 
1 1 1  -28    8   16 o  116.501   40.391 -73.9323   40.625 -97.1903   44.899   31.075   95.403   75.958   37.853  157.042   71.364 -81.08406 80.78136 
1 1 1  -28    9    1 o  201.592   47.235  100.862   31.304  103.432   32.031   46.094  147.848  217.598   39.161  185.585   85.972 32.01323 94.47093 
1 1 1  -28    9    2 o  213.906   41.556   74.669   22.260   65.981   23.179  177.749   79.842  174.635   35.228  253.178   75.277 -78.54395 83.11207 
1 1 1  -28    9    3 o  148.795   42.711   25.012   33.253   7.2039   37.647   88.216   70.924  111.053   47.854  186.538   70.760 -75.48503 85.42229 
1 1 1  -28    9    4 o  266.846   40.744  188.949   31.762  197.906   34.614  141.213   79.906  310.455   28.571  223.238   76.316 87.21689 81.48854 
1 1 1  -28    9    5 o  160.153   44.271   49.977   23.386   51.533   23.750   0.4275  134.008  152.126   39.615  168.180   79.184 -16.05394 88.54109 
1 1 1  -28    9    6 o  160.554   47.197   41.675   24.835   40.719   25.288   67.685  131.902  135.598   42.765  185.510   84.150 -49.91232 94.39314 
1 1 1  -28    9    7 o  135.956   35.363   41.180   24.810   53.827   26.162 -71.7860   78.190  154.326   42.220  117.585   56.742 36.74123 70.72618 
1 1 1  -28    9    8 o  423.076   43.182  498.628   51.920  567.675   60.321  301.245  101.988  524.060   29.496  322.093   81.171 201.9667 86.36383 
1 1 1  -28    9    9 o  274.978   43.087  166.871   34.359  156.824   37.229  224.596   89.237  272.213   35.046  277.743   78.726 -5.530060 86.17378 
1 1 1  -28    9   10 o  168.907   41.637   68.550   28.526   72.243   30.177   37.540   87.439  177.778   43.785  160.036   70.834 17.74283 83.27403 
1 1 1  -28    9   11 o  140.695   36.820   45.563   27.245   60.015   28.176 -162.2903  106.852  161.947   43.611  119.444   59.337 42.50295 73.64005 
1 1 1  -28    9   12 f  144.596   39.517   45.540   31.708   60.062   34.212 -42.9040   84.432  159.773   49.640  129.419   61.501 30.35463 79.03477 
1 1 1  -28    9   13 o  292.193   43.325  257.293   41.050  286.049   45.947  143.555   91.380  369.534   31.862  214.852   80.579 154.6814 86.64966 
1 1 1  -28    9   14 o  132.579   40.389   3.9887   25.339  -6.9147   26.984   85.303   73.691   85.619   38.520  179.539   71.002 -93.91946 80.77773 
1 1 1  -28    9   15 f  126.925   28.464   25.776   15.009   62.552   29.644   13.101   17.404  163.613   45.016   90.237   34.846 73.37565 56.92756 
1 1 1  -28   10    1 o  228.899   52.398  120.484   28.398  119.402   28.700  171.124  196.289  240.069   30.635  217.730  100.219 22.33902 104.7970 
1 1 1  -28   10    2 o  268.724   60.692  197.948   54.069  189.312   56.219  304.382  197.367  284.092   52.649  253.356  109.371 30.73633 121.3836 
1 1 1  -28   10    3 o  141.722   44.843   25.673   20.168   26.210   20.365  -1.7265  145.465  112.786   38.527  170.658   80.989 -57.87195 89.68593 
1 1 1  -28   10    4 o  175.148   47.483   56.674   23.389   55.796   23.729   86.657  138.677  158.457   38.707  191.840   86.721 -33.38356 94.96689 
1 1 1  -28   10    5 o  178.021   45.023   71.733   25.963   73.575   26.416   19.456  140.712  182.604   38.294  173.438   81.497 9.165573 90.04513 
1 1 1  -28   10    6 o  190.767   43.141   70.011   25.515   62.593   26.976  132.982   78.599  166.492   41.629  215.042   75.575 -48.54919 86.28222 
1 1 1  -28   10    7 o  180.768   31.459   98.823   29.411  132.145   31.829 -95.8410   76.932  251.280   32.459  110.257   53.899 141.0229 62.91822 
1 1 1  -28   10    8 o  153.325   37.351   57.673   25.717   66.286   27.359  -7.6630   75.351  171.395   41.375  135.255   62.196 36.13980 74.70156 
1 1 1  -28   10    9 o  200.921   44.842   77.856   28.265   67.376   30.057  157.961   83.103  171.197   44.559  230.645   77.832 -59.44893 89.68438 
1 1 1  -28   10   10 o  288.279   47.320  239.371   39.766  246.848   42.463  186.054  113.397  343.783   31.651  232.775   89.190 111.0083 94.63997 
1 1 1  -28   10   11 o  156.906   44.195   44.952   30.542   39.608   32.811   79.639   83.591  135.351   48.696  178.461   73.767 -43.10956 88.39022 
1 1 1  -28   10   12 o  197.570   41.007  113.668   36.602  133.034   40.433   25.747   86.150  241.863   44.477  153.276   68.905 88.58646 82.01320 
1 1 1  -28   10   13 f  224.658   41.719  143.370   35.195  154.607   38.568   87.429   86.055  268.177   36.853  181.140   74.858 87.03751 83.43769 
1 1 1  -28   10   14 o  221.144   38.296  146.086   34.527  171.454   38.912   52.170   74.870  283.111   35.221  159.176   68.013 123.9349 76.59149 
1 1 1  -28   11    1 o  143.861   48.956   4.2085   42.822   8.2193   43.959 -70.3322  189.510  117.590   51.188  170.131   83.465 -52.54168 97.91113 
1 1 1  -28   11    2 o  235.403   54.542  130.873   31.425  129.155   31.737  217.043  224.793  248.317   32.751  222.488  104.051 25.82907 109.0839 
1 1 1  -28   11    3 o  119.867   42.182   8.0978   17.890   10.286   17.951 -316.5298  218.650   87.712   34.930  152.021   76.793 -64.30923 84.36417 
1 1 1  -28   11    4 o  202.563   51.376   89.416   27.270   88.923   27.518  116.478  203.829  202.236   36.197  202.890   96.164 -0.6535339 102.7511 
1 1 1  -28   11    5 o  227.949   46.375  152.128   33.047  156.761   33.618   19.198  180.073  274.232   31.414  181.665   87.268 92.56752 92.75009 
1 1 1  -28   11    6 o  156.142   49.088   29.499   23.227   27.673   23.514  102.884  149.104  116.480   41.295  195.804   89.069 -79.32314 98.17641 
1 1 1  -28   11    7 o  171.155   49.045   51.389   25.687   49.923   26.090   97.806  146.799  148.341   42.738  193.970   88.290 -45.62898 98.09003 
1 1 1  -28   11    8 o  203.622   46.669  106.326   31.583  108.993   32.196   38.264  162.648  226.004   36.505  181.240   85.903 44.76433 93.33743 
1 1 1  -28   11    9 o   87.947   37.482   4.0251   22.635   4.0251   22.635   0.0000   0.0000   87.947   37.482  ?   ?       ?      ? 
1 1 1  -28   11   10 o  124.158   35.247   28.285   24.353   40.065   25.498 -94.0270   82.165  133.991   43.016  114.325   55.848 19.66646 70.49429 
1 1 1  -28   11   11 o  193.488   37.366  108.298   34.653  135.475   38.638  -3.4464   78.348  249.414   39.697  137.562   63.318 111.8517 74.73297 
1 1 1  -28   11   12 o  176.964   44.786   63.083   27.866   56.682   29.463  117.388   85.812  155.937   45.559  197.992   77.119 -42.05461 89.57143 
1 1 1  -28   11   13 o  228.085   44.323  130.067   33.932  126.920   36.739  148.333   88.518  241.032   39.059  215.138   79.578 25.89331 88.64655 
1 1 1  -28   12    1 o  163.238   47.559   47.755   23.047   48.417   23.237   7.9194  180.258  147.039   39.609  179.438   86.480 -32.39845 95.11880 
1 1 1  -28   12    2 o  188.422   55.539   51.442   23.156   48.897   23.313  238.256  199.735  147.748   39.620  229.096  103.772 -81.34761 111.0782 
1 1 1  -28   12    3 o  147.740   51.503   15.870   18.850   15.287   18.917   97.334  223.590   95.586   36.475  199.893   96.332 -104.3074 103.0067 
1 1 1  -28   12    4 o  219.306   53.232  110.710   29.424  110.020   29.635  158.789  247.301  228.810   33.189  209.802  101.159 19.00801 106.4648 
1 1 1  -28   12    5 o  177.217   56.330   40.243   22.999   38.372   23.108  236.619  236.736  131.591   40.782  222.842  105.020 -91.25121 112.6601 
1 1 1  -28   12    6 o  158.589   52.239   27.430   22.956   26.129   23.105  127.254  202.366  114.036   40.880  203.142   96.149 -89.10583 104.4789 
1 1 1  -28   12    7 o  151.902   48.697   29.953   23.870   29.618   24.095   47.612  175.092  119.249   41.848  184.555   87.945 -65.30618 97.39420 
1 1 1  -28   12    8 o  301.824   33.802  192.426   39.814  192.426   39.814   0.0000   0.0000  301.824   33.802  ?   ?       ?      ? 
1 1 1  -28   12    9 o  241.836   46.295  192.465   40.191  201.519   40.988 -33.5620  204.797  308.503   34.046  175.169   86.104 133.3335 92.59036 
1 1 1  -28   12   10 o  244.311  111.071  369.255  231.443   0.0000   0.0000  369.255  231.443  ?   ?   244.311  111.071      ?      ? 
1 1 1  -28   12   11 o  215.977   45.928  138.422   35.629  143.865   36.279  -9.2452  188.975  258.958   35.900  172.995   84.549 85.96333 91.85519 
1 1 1  -28   12   12 o  278.485   50.736  261.512   43.953  265.771   45.004  173.544  204.527  354.375   32.543  202.595   96.113 151.7800 101.4728 
1 1 1  -28   13    1 o  203.956   46.647  100.981   27.661  101.874   28.107   73.518  155.875  220.293   32.695  187.620   87.377 32.67345 93.29347 
1 1 1  -28   13    2 o  231.622   47.832  150.928   33.309  153.453   33.978   88.667  168.729  270.654   32.170  192.591   90.094 78.06374 95.66498 
1 1 1  -28   13    3 o  253.628   49.573  196.017   36.781  199.246   37.433  105.713  197.953  309.107   31.032  198.148   94.163 110.9595 99.14503 
1 1 1  -28   13    4 o  222.271   49.181  132.469   32.690  134.020   33.131   75.309  201.088  252.017   33.687  192.525   92.414 59.49269 98.36298 
1 1 1  -28   13    5 o  261.697   51.397  207.331   37.735  209.020   38.356  156.463  210.531  316.435   31.061  206.959   97.989 109.4765 102.7937 
1 1 1  -28   13    6 o  133.572   41.099   39.896   23.516   39.896   23.516   0.0000   0.0000  133.572   41.099  ?   ?       ?      ? 
1 1 1  -28   13    7 o  213.995   38.319  101.106   30.824  101.106   30.824   0.0000   0.0000  213.995   38.319  ?   ?       ?      ? 
1 1 1  -28   13    8 o  264.349   51.040  228.307   45.136  232.823   46.153  129.171  216.239  329.787   35.862  198.910   95.573 130.8772 102.0800 
1 1 1  -28   13    9 o  166.309   54.360   29.199   31.108   23.879   31.565  209.043  183.514  117.216   46.433  215.403   98.305 -98.18707 108.7192 
1 1 1  -28   13   10 o  131.410   44.038   17.030   23.215   18.714   23.424 -76.3921  174.484  104.145   40.368  158.675   78.280 -54.53001 88.07582 
1 1 1  -28   14    1 f  181.824   76.165 -34.1885   7.3057 -34.9781   7.3294   87.063   90.828  ?   ?   181.824   76.165      ?      ? 
1 1 1  -28   14    2 o  127.477   39.988   21.815   19.597   23.614   19.888 -38.4075  115.090  108.025   38.012  146.928   70.365 -38.90314 79.97576 
1 1 1  -28   14    3 o  187.403   49.961   69.263   26.064   67.249   26.437  139.087  155.680  172.744   40.005  202.062   91.563 -29.31786 99.92106 
1 1 1  -28   14    4 o  169.547   45.183   63.711   25.589   65.530   25.930  -4.0610  158.273  170.558   39.702  168.537   81.178 2.021118 90.36642 
1 1 1  -28   14    5 o  133.102   40.563   39.766   22.974   39.766   22.974   0.0000   0.0000  133.102   40.563  ?   ?       ?      ? 
1 1 1  -28   14    6 o  172.143   42.763   77.349   28.688   83.333   29.072 -145.0780  177.246  192.460   40.013  151.827   75.588 40.63239 85.52557 
1 1 1  -28   14    7 o  263.813   52.162  221.257   44.488  222.809   45.486  187.028  213.581  321.739   36.228  205.886   97.832 115.8524 104.3240 
1 1 1  -28   14    8 o  315.428   50.985  406.719   70.079  437.250   73.304   82.431  238.904  442.395   42.460  188.462   92.708 253.9332 101.9692 
1 1 1  -28   15    1 o  127.965   38.776   24.606   19.583   25.795   20.031  -1.0344   93.045  111.031   38.202  144.900   67.490 -33.86976 77.55202 
1 1 1  -28   15    2 o  259.667   47.361  215.412   40.114  222.366   41.677  127.854  147.884  323.984   32.964  195.349   88.801 128.6345 94.72222 
1 1 1  -28   15    3 o  158.385   39.337   56.854   24.203   56.854   24.203   0.0000   0.0000  158.385   39.337  ?   ?       ?      ? 
1 1 1  -28   15    4 f   52.101   24.680 -14.4660   13.388 -14.4660   13.388   0.0000   0.0000   52.101   24.680  ?   ?       ?      ? 
1 1 1  -27    0    1 o  243.300   19.265  121.413   25.035  121.413   25.035  121.413   25.035  243.300   27.244  243.300   27.244 0.000000 0.000000 
1 1 1  -27    0    2 o  216.595   19.828   97.375   22.606   97.375   22.606   97.375   22.606  216.595   28.041  216.595   28.041 0.000000 0.000000 
1 1 1  -27    0    3 o  201.962   21.945   86.381   22.742   86.381   22.742   86.381   22.742  201.962   31.034  201.962   31.034 -0.000000 0.000000 
1 1 1  -27    0    4 o  109.345   41.660   36.258   34.868   36.258   34.868   36.258   34.868  109.345   58.916  109.345   58.916 0.000000 0.000000 
1 1 1  -27    0    5 o  181.060   25.264   72.293   22.448   72.293   22.448   72.293   22.448  181.060   35.728  181.060   35.728 0.000000 0.000000 
1 1 1  -27    0    6 o  119.345   31.710   38.504   19.520   38.504   19.520   38.504   19.520  119.345   44.844  119.345   44.844 0.000000 0.000000 
1 1 1  -27    0    7 o  109.184   31.629   33.492   18.800   33.492   18.800   33.492   18.800  109.184   44.730  109.184   44.730 -0.000000 0.000000 
1 1 1  -27    0    8 o  371.678   20.088  278.894   40.651  278.894   40.651  278.894   40.651  371.678   28.408  371.678   28.408 0.000000 0.000000 
1 1 1  -27    0    9 o  420.372   26.523  363.565   60.405  363.565   60.405  363.565   60.405  420.372   37.509  420.372   37.509 -0.000000 0.000000 
1 1 1  -27    0   10 o  629.872   21.463  796.154   74.215  796.154   74.215  796.154   74.215  629.872   30.354  629.872   30.354 0.000000 0.000000 
1 1 1  -27    0   11 o   76.389   30.195   16.462   19.046   16.462   19.046   16.462   19.046   76.389   42.703   76.389   42.703 -0.000000 0.000000 
1 1 1  -27    0   12 f  246.548   24.336  128.668   31.267  128.668   31.267  128.668   31.267  246.548   34.417  246.548   34.417 0.000000 0.000000 
1 1 1  -27    0   13 o  163.747   32.861   65.896   25.725   65.896   25.725   65.896   25.725  163.747   46.472  163.747   46.472 -0.000000 0.000000 
1 1 1  -27    0   14 o  108.058   34.898   35.127   22.645   35.127   22.645   35.127   22.645  108.058   49.354  108.058   49.354 0.000000 0.000000 
1 1 1  -27    0   15 o   72.530   30.406   13.008   21.107   13.008   21.107   13.008   21.107   72.530   43.001   72.530   43.001 -0.000000 0.000000 
1 1 1  -27    0   16 o  146.096   54.822   75.163   59.538   75.163   59.538   75.163   59.538  146.096   77.530  146.096   77.530 -0.000000 0.000000 
1 1 1  -27    0   17 o  575.406   21.898  672.755   69.078  672.755   69.078  672.755   69.078  575.406   30.968  575.406   30.968 -0.000000 0.000000 
1 1 1  -27    0   18 o  114.495   36.858   40.010   25.251   40.010   25.251   40.010   25.251  114.495   52.125  114.495   52.125 -0.000000 0.000000 
1 1 1  -27    0   19 o  158.299   38.880   68.153   30.669   68.153   30.669   68.153   30.669  158.299   54.985  158.299   54.985 0.000000 0.000000 
1 1 1  -27    0   20 f   64.765   28.970   5.2812   22.219   5.2812   22.219   5.2812   22.219   64.765   40.970   64.765   40.970 -0.000000 0.000000 
1 1 1  -27    0   21 o   68.612   29.896   9.3102   22.099   9.3102   22.099   9.3102   22.099   68.612   42.280   68.612   42.280 -0.000000 0.000000 
1 1 1  -27    1    1 o  194.216   19.391   76.007   14.610   86.137   20.820   66.181   20.506  207.336   25.732  181.095   29.016 26.24103 38.78257 
1 1 1  -27    1    2 o  176.003   20.666   63.901   13.611   79.491   19.519   49.146   18.989  199.298   25.096  152.707   32.840 46.59096 41.33144 
1 1 1  -27    1    3 o  209.911   20.075   88.720   16.436   85.393   22.834   92.297   23.678  205.822   28.429  213.999   28.353 -8.177048 40.15051 
1 1 1  -27    1    4 o  186.792   36.664   77.323   27.596   68.974   37.030   87.752   41.386  176.134   50.966  197.451   52.720 -21.31709 73.32725 
1 1 1  -27    1    5 o  344.590   18.718  238.465   25.165  244.153   35.629  232.803   35.549  348.799   26.176  340.381   26.763 8.417694 37.43532 
1 1 1  -27    1    6 o   89.739   22.218   10.893   10.531   26.202   15.852  -1.2031   14.090  112.311   33.575   67.167   29.109 45.14305 44.43666 
1 1 1  -27    1    7 o   65.371   19.501  -7.7586   9.4385   11.548   14.673 -21.3862   12.328   85.712   32.261   45.030   21.917 40.68153 39.00153 
1 1 1  -27    1    8 o  436.438   19.721  384.420   33.585  387.247   47.331  381.554   47.665  438.161   27.681  434.714   28.097 3.447449 39.44194 
1 1 1  -27    1    9 o  184.492   28.587   74.057   20.586   52.145   29.562   94.687   28.684  154.344   45.785  214.640   34.244 -60.29686 57.17476 
1 1 1  -27    1   10 o  214.540   24.531   96.534   19.784   78.384   27.682  115.485   28.287  190.968   38.475  238.111   30.442 -47.14279 49.06170 
1 1 1  -27    1   11 o  347.752   20.554  245.935   27.891  248.690   39.363  243.157   39.526  349.820   28.835  345.683   29.300 4.137451 41.10883 
1 1 1  -27    1   12 o   67.454   21.357 -10.3701   11.632   3.9627   18.529 -19.6921   14.943   81.898   34.359   53.009   25.378 28.88822 42.71496 
1 1 1  -27    1   13 o  215.562   23.839   96.655   20.031   92.043   28.407  101.215   28.249  210.071   34.652  221.053   32.747 -10.98238 47.67711 
1 1 1  -27    1   14 o  174.370   27.196   65.730   18.643   89.602   27.146   44.420   25.648  207.249   33.564  141.490   42.801 65.75914 54.39206 
1 1 1  -27    1   15 o  357.385   32.125  280.738   37.892  279.753   43.589  283.783   76.663  367.799   30.369  346.970   56.619 20.82935 64.24947 
1 1 1  -27    1   16 o  145.431   40.162   28.157   38.230   83.164   52.488 -34.0000   55.795  181.878   61.854  108.984   51.245 72.89381 80.32387 
1 1 1  -27    1   17 o  393.576   21.793  321.579   33.410  295.790   46.358  349.448   48.192  376.608   31.543  410.543   30.080 -33.93552 43.58666 
1 1 1  -27    1   18 o  216.302   27.465  103.896   22.242   80.504   31.954  125.885   30.980  187.451   44.371  245.153   32.383 -57.70279 54.93093 
1 1 1  -27    1   19 o   89.037   25.145   4.9191   15.220 -23.8838   24.330   23.437   19.508   70.402   33.327  107.673   37.662 -37.27039 50.29028 
1 1 1  -27    1   20 f  189.430   32.003   82.738   23.276   91.088   34.612   75.844   31.450  198.014   45.718  180.846   44.796 17.16753 64.00618 
1 1 1  -27    1   21 o  184.673   29.931   77.866   21.119   88.199   30.937   68.848   28.902  196.832   41.579  172.513   43.065 24.31882 59.86153 
1 1 1  -27    2    1 o  240.610   19.318  115.963   18.104  108.867   24.701  124.197   26.610  232.720   27.199  248.501   27.440 -15.78061 38.63591 
1 1 1  -27    2    2 o  295.957   18.782  175.968   21.654  178.211   29.880  173.486   31.426  298.218   25.675  293.696   27.420 4.521851 37.56393 
1 1 1  -27    2    3 o  109.990   24.016   24.739   11.475   19.829   16.338   29.519   16.120  101.411   34.509  118.569   33.409 -17.15791 48.03107 
1 1 1  -27    2    4 o  269.086   33.283  155.376   33.522  152.332   43.429  159.862   52.729  270.076   41.206  268.095   52.278 1.981140 66.56510 
1 1 1  -27    2    5 o   80.091   21.857   8.1371   10.124  -0.9453   15.671   14.642   13.262   71.130   30.762   89.051   31.059 -17.92087 43.71444 
1 1 1  -27    2    6 o  331.852   19.261  221.749   24.931  227.003   35.023  216.352   35.496  336.035   26.708  327.670   27.760 8.364746 38.52148 
1 1 1  -27    2    7 o  395.179   19.545  314.743   30.128  313.124   41.944  316.469   43.302  394.302   27.259  396.055   28.017 -1.752563 39.08976 
1 1 1  -27    2    8 o  344.995   19.824  240.305   26.680  249.241   37.985  231.605   37.482  351.465   27.695  338.525   28.373 12.93921 39.64864 
1 1 1  -27    2    9 o  228.100   27.399  109.455   23.723  113.036   35.717  106.628   31.735  229.023   41.491  227.177   35.796 1.846573 54.79891 
1 1 1  -27    2   10 o  131.440   27.459   35.311   15.365   50.044   23.316   24.002   20.427  151.863   39.107  111.018   38.556 40.84517 54.91733 
1 1 1  -27    2   11 o  105.795   23.173   15.362   14.431 -25.6189   22.208   45.309   18.985   66.099   31.449  145.491   34.042 -79.39225 46.34520 
1 1 1  -27    2   12 o  192.902   26.751   80.267   19.398   82.368   28.200   78.380   26.726  195.085   38.409  190.720   37.245 4.365128 53.50138 
1 1 1  -27    2   13 o  254.635   22.438  133.889   22.285  139.576   31.757  128.372   31.279  260.159   31.280  249.110   32.176 11.04907 44.87508 
1 1 1  -27    2   14 o  290.250   21.922  174.180   24.830  175.408   35.124  172.954   35.107  291.328   30.895  289.171   31.110 2.157562 43.84443 
1 1 1  -27    2   15 o  287.217   37.654  172.708   32.950  159.667   36.515  229.879   76.455  275.868   33.918  298.567   67.237 -22.69861 75.30760 
1 1 1  -27    2   16 o  198.706   29.198   87.750   21.890  101.259   32.150   76.075   29.887  213.989   39.969  183.424   42.574 30.56523 58.39596 
1 1 1  -27    2   17 o   85.792   25.375   5.3064   14.459  -4.8383   23.041   11.897   18.571   80.923   36.059   90.661   35.710 -9.737839 50.74920 
1 1 1  -27    2   18 f  212.478   28.042   99.929   22.377  101.336   32.412   98.647   30.932  213.484   40.385  211.471   38.916 2.012924 56.08395 
1 1 1  -27    2   19 o  249.342   28.555  136.627   26.581  137.490   41.707  136.036   34.495  245.551   45.190  253.133   34.920 -7.582520 57.10965 
1 1 1  -27    2   20 o  157.348   31.521   58.616   21.411   35.487   32.020   77.322   28.796  129.840   47.894  184.856   40.992 -55.01585 63.04136 
1 1 1  -27    2   21 o   91.168   26.865   8.0519   15.710   9.9608   24.073   6.6360   20.733   95.262   39.499   87.074   36.425 8.187889 53.73020 
1 1 1  -27    3    1 o  211.203   19.325   89.487   15.863   78.897   21.892  101.192   23.016  197.839   28.356  224.567   26.264 -26.72771 38.65046 
1 1 1  -27    3    2 o  350.942   18.316  245.558   25.011  227.708   33.853  267.009   37.112  337.040   25.739  364.845   26.066 -27.80487 36.63212 
1 1 1  -27    3    3 o  206.147   32.964   92.792   21.136   93.635   23.322   88.917   49.997  215.655   27.713  196.639   59.820 19.01599 65.92738 
1 1 1  -27    3    4 o  271.159   24.650  151.428   24.364  148.609   42.495  152.809   29.737  266.841   40.808  275.477   27.662 -8.635162 49.30010 
1 1 1  -27    3    5 f   76.704   21.078   6.3905   9.8321  -8.4465   16.436   14.659   12.270   65.509   29.712   87.899   29.906 -22.38972 42.15588 
1 1 1  -27    3    6 o  188.529   22.747   73.404   16.371   72.706   23.643   74.047   22.690  186.017   33.815  191.041   30.435 -5.024124 45.49447 
1 1 1  -27    3    7 o  150.316   26.176   49.017   15.397   39.331   22.495   57.555   21.120  135.695   39.856  164.936   33.944 -29.24173 52.35167 
1 1 1  -27    3    8 o  510.180   24.588  535.956   46.764  533.740   78.311  537.184   58.299  505.345   39.710  515.014   29.008 -9.668365 49.17694 
1 1 1  -27    3    9 o  158.557   27.842   54.637   17.222   47.800   24.493   61.322   24.220  148.314   40.965  168.800   37.718 -20.48587 55.68489 
1 1 1  -27    3   10 o  447.560   20.370  406.970   35.549  416.138   49.689  397.357   50.879  453.151   28.099  441.969   29.499 11.18246 40.74000 
1 1 1  -27    3   11 f  489.809   20.789  488.558   39.696  479.079   54.723  499.085   57.669  485.149   28.904  494.468   29.886 -9.319763 41.57703 
1 1 1  -27    3   12 f  224.185   23.291  103.397   20.300  116.608   29.835   92.007   27.702  237.748   32.157  210.622   33.703 27.12521 46.58295 
1 1 1  -27    3   13 o  266.022   22.675  146.467   23.491  134.703   32.857  158.769   33.599  254.611   33.069  277.432   31.034 -22.82109 45.35055 
1 1 1  -27    3   14 o   49.692   17.100 -16.9055   8.9676 -43.9409   20.563 -10.5561   9.9652   53.746   26.582   45.638   21.520 8.108215 34.20065 
1 1 1  -27    3   15 o  124.337   38.986 -17.6352   35.850 -49.1451   43.153   52.553   64.405   88.703   42.640  159.971   65.281 -71.26878 77.97279 
1 1 1  -27    3   16 o  117.764   27.719   22.595   15.541   50.566   26.005   7.0558   19.383  149.470   42.544   86.059   35.543 63.41060 55.43763 
1 1 1  -27    3   17 o  267.223   23.455  148.140   24.131  185.009   36.103  118.367   32.444  298.104   31.034  236.341   35.177 61.76299 46.90977 
1 1 1  -27    3   18 o  240.003   25.258  121.341   22.688  156.864   34.414   94.032   30.174  273.692   32.221  206.315   38.905 67.37698 50.51520 
1 1 1  -27    3   19 o   86.907   25.058   5.6096   14.748 -21.9976   25.804   19.003   17.973   74.109   34.848   99.705   36.018 -25.59517 50.11630 
1 1 1  -27    3   20 f  138.187   32.037   39.171   19.390   60.669   33.157   27.998   23.904  159.863   48.733  116.511   41.601 43.35198 64.07480 
1 1 1  -27    4    1 o  180.653   19.962   65.843   14.058   69.017   19.834   62.640   19.928  185.190   27.446  176.117   28.995 9.073181 39.92452 
1 1 1  -27    4    2 o  245.504   19.198  120.851   18.348  116.133   24.920  126.436   27.114  240.447   26.558  250.561   27.730 -10.11488 38.39632 
1 1 1  -27    4    3 o  326.731   28.634  201.375   28.550  189.265   31.375  259.689   68.850  307.052   26.184  346.411   50.931 -39.35965 57.26709 
1 1 1  -27    4    4 o  225.899   26.804  108.689   21.704  101.698   36.607  112.479   26.953  215.958   44.902  235.841   29.285 -19.88348 53.60797 
1 1 1  -27    4    5 f  144.505   25.083   44.247   14.030   49.543   20.700   39.747   19.080  152.452   35.463  136.559   35.482 15.89285 50.16550 
1 1 1  -27    4    6 o  405.124   19.545  330.675   30.839  326.608   42.208  335.332   45.168  402.824   26.850  407.424   28.409 -4.600647 39.08933 
1 1 1  -27    4    7 o  357.397   20.399  259.430   28.326  271.913   38.952  245.418   41.267  367.278   27.177  347.517   30.429 19.76123 40.79899 
1 1 1  -27    4    8 o  206.199   29.900   99.693   22.719   62.983   37.189  121.552   28.697  167.859   51.689  244.538   30.071 -76.67952 59.80033 
1 1 1  -27    4    9 o  127.959   27.613   33.650   14.876   41.848   23.511   28.178   19.209  139.206   40.706  116.712   37.322 22.49428 55.22617 
1 1 1  -27    4   10 o  280.318   22.217  160.286   24.214  142.345   33.222  180.617   35.365  263.258   32.338  297.377   30.474 -34.11963 44.43463 
1 1 1  -27    4   11 o  128.712   26.345   29.322   14.875   60.260   24.578   11.440   18.685  166.277   38.617   91.147   35.846 75.13094 52.68941 
1 1 1  -27    4   12 f  157.507   28.660   54.376   17.573   58.522   26.979   51.320   23.161  162.118   42.225  152.896   38.763 9.222000 57.32001 
1 1 1  -27    4   13 o  386.400   21.183  306.259   31.880  291.418   43.457  323.552   46.910  376.553   29.573  396.247   30.336 -19.69418 42.36609 
1 1 1  -27    4   14 f  186.005   28.389   77.166   19.926   72.184   29.707   81.240   26.865  178.811   43.083  193.198   36.980 -14.38622 56.77701 
1 1 1  -27    4   15 o  135.259   41.317   23.132   36.157   32.097   40.395 -12.9904   81.090  132.711   52.542  137.808   63.779 -5.096817 82.63442 
1 1 1  -27    4   16 o  319.880   22.580  213.389   28.168  204.834   39.013  222.705   40.712  313.200   31.919  326.560   31.947 -13.35919 45.16016 
1 1 1  -27    4   17 o  347.059   29.896  274.760   37.320  226.921   62.320  301.509   46.600  313.876   50.879  380.241   31.405 -66.36566 59.79102 
1 1 1  -27    4   18 o  342.897   22.478  245.828   30.055  258.881   42.892  233.239   42.125  352.256   31.202  333.537   32.364 18.71875 44.95606 
1 1 1  -27    4   19 o  242.038   32.349  141.107   27.820  108.701   46.685  158.951   34.643  209.008   56.074  275.067   32.273 -66.05908 64.69837 
1 1 1  -27    4   20 o  119.768   24.619   20.371   18.553 -51.8730   29.945   65.382   23.636   67.651   33.187  171.885   36.372 -104.2346 49.23705 
1 1 1  -27    5    1 o  191.928   34.079  104.152   23.377  117.487   24.850   1.5999   68.914  241.849   26.330  142.008   62.868 99.84056 68.15884 
1 1 1  -27    5    2 o  548.209   27.595  545.767   47.862  495.579   52.906  771.998  112.325  496.137   27.325  600.280   47.950 -104.1428 55.18983 
1 1 1  -27    5    3 o  385.691   19.160  298.823   28.739  292.632   38.892  306.270   42.653  381.721   26.108  389.661   28.050 -7.939667 38.32028 
1 1 1  -27    5    4 o  181.251   27.547   66.565   18.046   84.459   31.710   57.994   21.947  197.264   42.451  165.238   35.117 32.02524 55.09349 
1 1 1  -27    5    5 o  266.602   20.465  143.066   21.236  131.472   28.895  156.684   31.316  254.881   29.051  278.324   28.833 -23.44237 40.93024 
1 1 1  -27    5    6 o  661.473   22.035  888.439   56.669  862.327   76.480  920.229   84.386  651.677   30.074  671.270   32.214 -19.59387 44.06966 
1 1 1  -27    5    7 o  128.908   27.946   37.422   16.812   5.9283   31.318   50.172   19.926  104.273   44.255  153.543   34.139 -49.26961 55.89285 
1 1 1  -27    5    8 o  355.475   22.418  243.038   30.070  199.907   37.179  324.605   51.129  313.244   30.415  397.707   32.944 -84.46210 44.83686 
1 1 1  -27    5    9 o  206.012   23.795   87.468   19.119   87.800   27.506   87.159   26.595  206.215   34.180  205.808   33.114 0.4070129 47.58953 
1 1 1  -27    5   10 o  324.500   21.236  214.055   26.812  200.770   36.253  230.096   39.837  313.644   29.619  335.356   30.441 -21.71179 42.47256 
1 1 1  -27    5   11 o  292.608   21.378  175.800   24.337  191.843   34.549  160.000   34.287  306.495   28.886  278.722   31.523 27.77295 42.75619 
1 1 1  -27    5   12 o  208.112   24.838   90.665   19.630  105.676   29.548   78.805   26.263  225.274   33.612  190.950   36.577 34.32372 49.67506 
1 1 1  -27    5   13 o   83.097   24.323   6.6746   12.374  -5.1775   23.841   11.045   14.477   82.416   36.706   83.779   31.923 -1.362869 48.64557 
1 1 1  -27    5   14 o  165.826   44.675   49.710   26.765   45.513   28.036   92.882   89.916  142.432   45.041  189.220   77.166 -46.78882 89.34930 
1 1 1  -27    5   15 o  245.204   48.953  167.385   46.497  172.785   52.878  148.974   97.638  271.233   51.847  219.175   83.051 52.05817 97.90626 
1 1 1  -27    5   16 o  157.648   29.782   55.001   18.407   64.904   29.184   48.459   23.721  168.348   43.950  146.948   40.201 21.40042 59.56332 
1 1 1  -27    5   17 o  217.763   33.191   99.158   24.643  135.601   49.165   86.931   28.478  236.838   54.348  198.689   38.115 38.14929 66.38127 
1 1 1  -27    5   18 o  318.012   28.146  210.456   33.511  254.657   57.801  188.077   41.128  338.709   43.730  297.315   35.448 41.39392 56.29248 
1 1 1  -27    5   19 f  145.428   34.012   48.992   21.553   41.555   41.386   51.760   25.247  140.161   53.840  150.695   41.577 -10.53395 68.02463 
1 1 1  -27    5   20 o  139.359   28.529   32.381   17.689   81.737   30.986   8.5215   21.544  188.369   43.087   90.350   37.406 98.01846 57.05898 
1 1 1  -27    6    1 o  351.381   31.909  219.436   30.703  203.639   32.805  330.979   87.174  318.248   26.415  384.513   58.096 -66.26514 63.81894 
1 1 1  -27    6    2 o  357.401   37.426  294.865   35.987  302.315   39.545  258.963   86.813  387.860   26.127  326.942   70.144 60.91739 74.85187 
1 1 1  -27    6    3 o  727.641   49.191  1143.63  139.680   0.0000   0.0000  1143.63  139.680  ?   ?   727.641   49.191      ?      ? 
1 1 1  -27    6    4 o  390.230   29.306  232.304   32.070  200.411   34.128  472.982   93.753  315.098   27.755  465.362   51.625 -150.2634 58.61295 
1 1 1  -27    6    5 o  295.947   20.429  178.024   23.492  187.335   32.383  167.680   34.132  304.750   27.230  287.143   30.460 17.60654 40.85707 
1 1 1  -27    6    6 f  406.992   20.590  336.877   32.541  346.889   44.335  325.184   47.914  414.446   27.412  399.538   30.731 14.90805 41.18050 
1 1 1  -27    6    7 o  278.368   25.753  153.870   26.454  182.889   47.046  140.453   31.990  294.528   40.932  262.208   31.263 32.31964 51.50573 
1 1 1  -27    6    8 o   77.309   21.921   5.4543   10.790 -20.5647   21.561   14.147   12.462   67.763   31.860   86.855   30.117 -19.09224 43.84233 
1 1 1  -27    6    9 o  125.080   26.888   34.018   15.406   14.383   24.603   46.685   19.760  102.823   40.911  147.337   34.903 -44.51429 53.77667 
1 1 1  -27    6   10 o   79.691   23.634   4.7923   11.136   1.6512   22.355   5.8291   12.844   86.194   37.005   73.187   29.409 13.00693 47.26797 
1 1 1  -27    6   11 o  282.124   22.352  164.518   24.588  170.616   34.612  158.305   34.937  287.792   30.819  276.456   32.384 11.33609 44.70471 
1 1 1  -27    6   12 f  309.771   21.932  196.882   26.068  249.468   38.590  152.749   35.353  348.990   28.336  270.552   33.484 78.43710 43.86451 
1 1 1  -27    6   13 o   81.027   24.477   3.2466   11.747   4.7237   24.811   2.8197   13.337   92.350   39.298   69.704   29.191 22.64592 48.95365 
1 1 1  -27    6   14 o  411.943   41.600  406.110   47.358  407.689   52.352  398.999  111.113  443.645   30.239  380.240   77.510 63.40472 83.20006 
1 1 1  -27    6   15 o  230.277   49.610  129.524   41.389  117.933   45.907  179.869   95.674  221.214   53.716  239.339   83.422 -18.12526 99.22028 
1 1 1  -27    6   16 o  148.143   29.496   47.347   17.218   59.464   28.961   40.721   21.414  160.862   44.588  135.423   38.628 25.43854 58.99297 
1 1 1  -27    6   17 o   84.757   27.419  -6.8774   12.001   13.568   37.794  -9.1699   12.655  114.870   48.676   54.644   25.257 60.22685 54.83892 
1 1 1  -27    6   18 o  270.959   32.038  164.424   29.428  169.481   55.307  162.426   34.757  263.647   55.510  278.272   32.007 -14.62460 64.07676 
1 1 1  -27    6   19 o  221.263   35.298  117.564   28.319  109.718   51.580  120.949   33.882  205.431   60.355  237.095   36.620 -31.66400 70.59606 
1 1 1  -27    7    1 o  240.055   43.487   76.593   21.504   68.291   22.059  235.201   96.419  180.404   32.531  299.706   80.661 -119.3023 86.97359 
1 1 1  -27    7    2 o  215.705   41.370   67.926   21.065   60.074   21.812  176.682   81.173  168.293   34.374  263.117   75.261 -94.82462 82.73902 
1 1 1  -27    7    3 o  171.807   43.130   38.696   23.502   30.186   24.666  122.566   77.434  122.945   42.386  220.668   75.127 -97.72325 86.25928 
1 1 1  -27    7    4 o  138.790   37.838   33.465   19.205   35.139   19.870   9.7235   74.848  128.439   37.383  149.141   65.797 -20.70271 75.67535 
1 1 1  -27    7    5 o  168.789   42.809   41.620   21.166   36.975   21.938  104.146   80.486  131.576   39.536  206.002   75.943 -74.42592 85.61770 
1 1 1  -27    7    6 o  344.097   37.993  224.355   45.222  183.465   51.518  361.654   94.401  292.379   45.152  395.815   61.116 -103.4366 75.98592 
1 1 1  -27    7    7 o  360.056   44.930  350.633   42.477  373.732   46.592  236.915  103.378  429.320   27.810  290.792   85.449 138.5285 89.86007 
1 1 1  -27    7    8 o   69.119   21.202  -6.1623   7.8023   13.923   20.329  -9.6319   8.4493   96.681   37.570   41.556   19.662 55.12509 42.40425 
1 1 1  -27    7    9 o  247.856   22.421  126.734   21.643  118.373   30.676  135.021   30.541  239.219   32.861  256.492   30.512 -17.27310 44.84193 
1 1 1  -27    7   10 o  300.772   22.172  186.578   26.002  183.862   35.935  189.563   37.670  298.753   30.823  302.792   31.880 -4.038727 44.34417 
1 1 1  -27    7   11 o  111.962   27.633   25.042   14.281   22.674   25.551   26.118   17.222  112.478   42.518  111.446   35.307 1.032265 55.26651 
1 1 1  -27    7   12 o  112.041   27.095   26.281   14.942   7.0090   27.090   34.707   17.913   97.731   41.301  126.351   35.083 -28.61905 54.19041 
1 1 1  -27    7   13 o  255.465   43.430  181.915   35.205  190.836   38.008  128.038   93.406  302.422   32.205  208.507   80.669 93.91470 86.85992 
1 1 1  -27    7   14 o  114.958   30.477   18.765   14.649   42.051   35.724   14.058   16.062  139.557   50.723   90.359   33.803 49.19775 60.95469 
1 1 1  -27    7   15 o  170.728   39.632   76.256   28.794   84.973   30.401   0.2825   89.749  194.626   41.305  146.829   67.652 47.79674 79.26476 
1 1 1  -27    7   16 o  375.898   22.753  296.351   33.289  307.369   46.112  284.358   48.108  384.319   30.746  367.476   33.547 16.84305 45.50541 
1 1 1  -27    7   17 o  101.694   27.803   10.551   13.899   34.997   28.846   3.1589   15.862  128.275   45.710   75.112   31.665 53.16293 55.60651 
1 1 1  -27    7   18 o  203.911   36.599   96.282   25.660  108.416   54.738   92.865   29.049  202.635   62.763  205.187   37.667 -2.551636 73.19803 
1 1 1  -27    7   19 o  194.131   31.294   90.515   23.924   61.920   36.612  111.824   31.605  159.934   51.566  228.327   35.471 -68.39279 62.58770 
1 1 1  -27    8    1 o  152.910   39.280   44.341   19.125   45.714   19.622   18.283   85.478  146.136   34.890  159.684   70.388 -13.54848 78.56089 
1 1 1  -27    8    2 o  248.658   43.615  164.570   37.179  177.153   40.710  101.314   91.275  292.488   35.666  204.827   79.604 87.66194 87.22919 
1 1 1  -27    8    3 o  288.507   43.170  191.909   31.743  191.239   33.758  197.021   93.269  307.191   28.161  269.823   81.619 37.36807 86.34052 
1 1 1  -27    8    4 o  214.365   41.335  116.483   26.771  121.053   27.947   65.575   93.272  243.920   29.360  184.809   77.280 59.11168 82.66936 
1 1 1  -27    8    5 o  200.912   49.067   86.753   38.515   79.173   42.274  123.773   93.421  184.874   54.731  216.950   81.453 -32.07578 98.13310 
1 1 1  -27    8    6 o  187.068   45.825   46.287   23.033   38.666   23.795  159.633   91.767  133.987   41.361  240.150   81.785 -106.1629 91.64918 
1 1 1  -27    8    7 o  200.930   59.176   48.170   24.792   44.729   24.988  264.126  197.958  142.798   42.025  259.062  110.640 -116.2642 118.3523 
1 1 1  -27    8    8 o  137.149   42.314   18.082   22.076   16.435   22.719   45.945   93.466  102.493   39.748  171.805   74.714 -69.31217 84.62859 
1 1 1  -27    8    9 o  211.315   42.627  114.265   30.014  118.536   31.528   72.981   98.027  238.467   33.880  184.162   78.234 54.30516 85.25497 
1 1 1  -27    8   10 o  161.685   42.680   54.903   26.072   56.987   27.007   26.357   99.944  159.242   42.618  164.128   73.959 -4.886017 85.35979 
1 1 1  -27    8   11 o  377.147   21.886  295.309   32.124  315.781   45.131  274.284   45.735  391.400   29.548  362.895   32.295 28.50455 43.77264 
1 1 1  -27    8   12 o  119.265   28.289   29.503   14.740   30.106   26.847   29.243   17.635  121.914   44.024  116.616   35.539 5.298401 56.57816 
1 1 1  -27    8   13 o  137.679   39.872   34.803   26.332   40.013   27.492 -23.0731   91.622  134.667   44.761  140.690   65.997 -6.023331 79.74440 
1 1 1  -27    8   14 f  123.901   26.685   34.768   17.676 -20.6389   33.852   55.538   20.726   88.054   40.911  159.747   34.274 -71.69307 53.37071 
1 1 1  -27    8   15 o  206.263   38.527  129.278   33.133  147.180   35.279  -4.6158   96.480  264.000   34.243  148.526   69.027 115.4737 77.05450 
1 1 1  -27    8   16 o  146.402   29.641   48.207   17.199   48.393   29.870   48.115   21.037  145.432   46.544  147.372   36.714 -1.940170 59.28151 
1 1 1  -27    8   17 o  101.029   28.124   14.469   13.940   22.833   29.973   12.161   15.746  115.231   45.374   86.827   33.244 28.40440 56.24877 
1 1 1  -27    8   18 o  260.881   38.962  185.601   36.002  121.343   66.722  211.993   42.761  206.563   69.740  315.199   34.764 -108.6359 77.92451 
1 1 1  -27    9    1 o  165.322   53.556   16.670   16.157   15.179   16.233  174.483  167.019   93.192   34.143  237.453  101.524 -144.2609 107.1118 
1 1 1  -27    9    2 o  150.123   41.209   43.029   23.485   46.563   24.116 -21.8755  103.351  145.930   40.773  154.317   71.626 -8.387100 82.41763 
1 1 1  -27    9    3 f  212.264   45.636   63.393   21.304   56.853   21.831  193.866   97.514  162.670   35.397  261.857   84.128 -99.18718 91.27122 
1 1 1  -27    9    4 o  207.762   49.771   76.385   36.358   58.781   39.231  183.556   96.795  161.539   53.459  253.985   83.968 -92.44640 99.54155 
1 1 1  -27    9    5 o  261.298   45.414  167.066   31.625  167.554   33.259  162.459  102.174  286.141   29.785  236.456   85.807 49.68553 90.82895 
1 1 1  -27    9    6 o  122.522   38.265   17.515   20.255   20.788   20.708 -54.8630   97.393  105.965   38.602  139.080   66.080 -33.11536 76.52950 
1 1 1  -27    9    7 o  137.305   47.585   8.0176   20.707   8.0955   20.860   2.7365  171.732   90.130   37.008  184.480   87.679 -94.35070 95.16959 
1 1 1  -27    9    8 o  447.500   37.155  438.569   47.665  430.484   52.234  478.806  116.528  457.932   29.230  437.067   68.320 20.86490 74.31047 
1 1 1  -27    9    9 o  186.848   42.374   86.095   28.937   89.495   30.466   54.751   92.499  201.414   40.169  172.282   74.622 29.13213 84.74725 
1 1 1  -27    9   10 f  102.592   34.278  -3.9380   21.749   1.8072   22.548 -80.7696   82.456   86.059   37.059  119.124   57.675 -33.06554 68.55499 
1 1 1  -27    9   11 o  363.611   42.712  329.175   42.464  335.235   46.825  301.113  100.766  402.665   29.799  324.556   80.057 78.10870 85.42362 
1 1 1  -27    9   12 o  121.076   39.859   7.0275   24.001   8.8967   24.683 -25.3931  102.799   95.878   39.895  146.274   69.017 -50.39570 79.71793 
1 1 1  -27    9   13 o  203.371   42.794  117.772   36.987  131.414   40.413   47.375   91.803  240.904   44.631  165.837   73.031 75.06747 85.58881 
1 1 1  -27    9   14 o  106.684   36.369  -6.0771   22.583  -2.2608   23.233 -71.4056   96.126   83.331   36.716  130.038   62.792 -46.70691 72.73892 
1 1 1  -27    9   15 o   76.629   23.557   1.7503   10.892   0.2504   24.387   2.1241   12.174   87.278   38.056   65.981   27.774 21.29652 47.11353 
1 1 1  -27    9   16 o  247.307   26.670  135.768   24.355  108.934   35.872  158.716   33.173  218.885   43.528  275.729   30.830 -56.84361 53.34040 
1 1 1  -27    9   17 o  116.081   33.723  -2.9093   11.479   82.571   54.182  -6.9264   11.746  177.999   62.730   54.163   24.777 123.8355 67.44605 
1 1 1  -27   10    1 o  322.928   58.313  327.939   54.737  333.196   56.490  247.184  221.414  398.712   36.306  247.144  110.832 151.5683 116.6270 
1 1 1  -27   10    2 o  259.547   54.519  169.189   31.766  168.863   32.146  182.756  207.322  287.564   28.645  231.531  105.208 56.03329 109.0379 
1 1 1  -27   10    3 o  164.998   52.587   36.006   39.219   36.887   40.155   17.770  182.669  138.648   53.087  191.349   90.793 -52.70082 105.1742 
1 1 1  -27   10    4 o  150.833   48.645   25.920   19.789   26.050   19.914   15.629  177.165  112.915   38.101  188.751   89.518 -75.83597 97.28909 
1 1 1  -27   10    5 o  168.175   51.454   37.365   22.071   36.253   22.254  104.354  172.680  129.332   40.011  207.018   94.811 -77.68671 102.9078 
1 1 1  -27   10    6 o  284.232   51.258  254.680   40.098  260.558   41.011  127.005  191.128  356.035   29.517  212.429   98.175 143.6060 102.5165 
1 1 1  -27   10    7 o  290.896   43.145  249.130   37.815  271.194   41.454  139.767   92.294  363.143   29.252  218.648   81.181 144.4951 86.29089 
1 1 1  -27   10    8 o  269.042   41.931  154.073   31.305  145.239   33.599  212.219   86.202  263.883   32.628  274.201   77.254 -10.31863 83.86186 
1 1 1  -27   10    9 o  129.097   33.696   35.625   23.640   50.287   24.762 -115.1498   79.408  149.691   41.125  108.504   53.389 41.18721 67.39226 
1 1 1  -27   10   10 o  191.738   38.527  101.213   29.614  112.249   31.626   22.684   84.367  230.373   35.179  153.103   68.554 77.26935 77.05338 
1 1 1  -27   10   11 o  234.389   44.505  154.881   33.909  160.472   35.577   99.418  112.059  276.618   32.958  192.160   82.684 84.45728 89.01047 
1 1 1  -27   10   12 o  234.617   44.274  138.103   33.222  137.705   35.595  140.793   92.533  254.534   35.835  214.699   80.972 39.83469 88.54760 
1 1 1  -27   10   13 o  213.222   45.342  120.300   37.012  122.808   40.740  108.448   88.568  230.960   46.805  195.484   77.671 35.47649 90.68340 
1 1 1  -27   10   14 o  316.317   42.298  324.346   43.301  383.015   49.193  122.486   91.247  430.041   29.313  202.594   79.355 227.4473 84.59541 
1 1 1  -27   10   15 o  201.410   38.278  112.986   30.594  125.865   33.637   51.310   73.609  242.987   35.473  159.833   67.842 83.15399 76.55635 
1 1 1  -27   10   16 f  216.609   41.486  111.914   49.188  237.775   68.435 -22.5956   70.747  308.498   58.995  124.720   58.342 183.7784 82.97105 
1 1 1  -27   10   17 o  219.516   50.640  132.695   37.687  133.073   38.316  121.477  208.857  245.909   39.928  193.122   93.078 52.78738 101.2806 
1 1 1  -27   11    1 o  236.438   46.260  169.582   32.211  175.485   32.623 -59.9377  203.423  292.662   28.565  180.214   88.001 112.4485 92.52081 
1 1 1  -27   11    2 o  223.876   64.420   96.753   47.866   85.040   49.034  333.942  220.649  186.362   59.633  261.390  114.209 -75.02774 128.8407 
1 1 1  -27   11    3 o  131.193   47.830   3.6949   15.771   3.7988   15.819 -13.3235  202.436   76.175   31.838  186.212   90.207 -110.0369 95.66065 
1 1 1  -27   11    4 o  117.731   42.587   2.4947   16.241   3.9111   16.299 -196.7828  193.328   77.205   32.296  158.257   78.814 -81.05143 85.17485 
1 1 1  -27   11    5 o  273.659   54.665  202.909   36.655  201.887   37.309  231.270  196.620  312.403   30.603  234.915  104.959 77.48779 109.3291 
1 1 1  -27   11    6 o  140.181   47.795   4.5444   19.577   2.6889   19.763  101.477  142.842   82.151   35.019  198.211   88.945 -116.0600 95.59029 
1 1 1  -27   11    7 o  260.983   48.279  209.814   37.752  215.954   38.820  102.755  162.100  322.627   30.833  199.340   91.502 123.2869 96.55749 
1 1 1  -27   11    8 o  190.864   50.818   65.739   26.693   62.229   27.195  158.316  139.660  165.931   41.969  215.797   92.566 -49.86580 101.6359 
1 1 1  -27   11    9 o  215.968   48.527  114.894   31.446  115.118   32.128  109.805  153.389  233.120   35.316  198.816   90.401 34.30397 97.05442 
1 1 1  -27   11   10 o  225.467   35.835  108.016   31.529  108.016   31.529   0.0000   0.0000  225.467   35.835  ?   ?       ?      ? 
1 1 1  -27   11   11 o  412.262   36.743  370.612   44.759  358.236   49.294  428.742  106.831  415.295   30.416  409.228   66.896 6.067413 73.48646 
1 1 1  -27   11   12 o  146.338   40.373   44.739   27.699   49.048   29.450   11.706   81.535  146.461   46.147  146.215   66.260 0.2452087 80.74548 
1 1 1  -27   11   13 o  177.234   40.570   75.549   26.919   76.718   28.859   67.721   74.685  184.477   41.135  169.990   69.940 14.48772 81.13971 
1 1 1  -27   11   14 o  105.624   33.387   6.6434   21.846   12.849   23.229 -40.8421   64.255   97.666   39.443  113.582   53.881 -15.91582 66.77459 
1 1 1  -27   11   15 o  128.747   40.425  -0.6752   42.990   43.201   59.545 -48.4458   62.131  148.814   61.946  108.680   51.954 40.13458 80.84917 
1 1 1  -27   11   16 o  292.131   35.442  183.307   40.405  183.307   40.405   0.0000   0.0000  292.131   35.442  ?   ?       ?      ? 
1 1 1  -27   12    1 o  155.847   50.994   23.992   46.821   26.737   48.630 -10.8477  173.249  134.472   55.979  177.222   85.253 -42.75044 101.9889 
1 1 1  -27   12    2 o  176.317   49.162   58.423   23.125   58.827   23.286   29.513  196.879  163.479   37.323  189.156   90.965 -25.67720 98.32399 
1 1 1  -27   12    3 o  191.258   61.911   25.423   20.014   22.277   20.094  418.410  224.596  106.812   38.142  275.704  117.801 -168.8918 123.8216 
1 1 1  -27   12    4 o  364.656   66.041  406.320   50.506  399.847   51.284  614.883  291.109  439.726   29.886  289.587  128.657 150.1394 132.0825 
1 1 1  -27   12    5 o  266.911   56.225  192.465   36.112  190.867   36.510  264.619  245.251  303.155   30.861  230.667  108.132 72.48845 112.4501 
1 1 1  -27   12    6 o  167.151   52.142   40.464   24.002   39.655   24.166   99.605  206.653  133.746   41.747  200.556   95.563 -66.80994 104.2837 
1 1 1  -27   12    7 o  278.956   49.509  262.187   42.250  270.219   43.205   86.628  201.989  360.621   30.701  197.292   94.137 163.3287 99.01714 
1 1 1  -27   12    8 o  215.153   44.422  135.665   33.024  142.284   33.665 -33.2887  170.092  260.309   33.140  169.997   82.432 90.31242 88.84445 
1 1 1  -27   12    9 o   66.953   30.711 -10.5146   18.215 -10.5146   18.215   0.0000   0.0000   66.953   30.711  ?   ?       ?      ? 
1 1 1  -27   12   10 o  146.586   48.907   15.266   21.975   13.465   22.198  103.491  155.361   97.325   38.817  195.847   89.782 -98.52211 97.81357 
1 1 1  -27   12   11 o  216.597   50.593  122.890   36.531  123.216   37.445  116.455  166.300  234.248   42.529  198.947   91.815 35.30101 101.1868 
1 1 1  -27   12   12 f  351.936   52.574  483.968   57.883  505.672   59.966  187.818  221.511  491.911   31.238  211.961  100.402 279.9504 105.1490 
1 1 1  -27   12   13 o  172.684   42.193   77.835   27.799   83.835   28.174 -143.3811  171.073  194.244   38.528  151.124   75.076 43.12030 84.38509 
1 1 1  -27   12   14 o  141.183   62.339   23.024   67.329   23.024   67.329   0.0000   0.0000  141.183   62.339  ?   ?       ?      ? 
1 1 1  -27   13    1 o  145.704   47.744   21.752   17.101   21.332   17.191   61.728  167.745  102.960   35.391  188.449   88.687 -85.49001 95.48732 
1 1 1  -27   13    2 o  136.934   44.218   24.261   18.343   25.570   18.436 -104.9719  183.191  110.591   36.649  163.276   80.485 -52.68568 88.43674 
1 1 1  -27   13    3 o  185.969   48.430   74.839   25.062   75.734   25.258   17.933  201.364  186.382   36.030  185.556   89.909 0.8262939 96.85938 
1 1 1  -27   13    4 o  124.365   48.763 -14.4887   13.707 -14.8573   13.735   73.788  212.568   52.921   25.048  195.810   94.254 -142.8893 97.52578 
1 1 1  -27   13    5 o  182.997   49.217   73.300   27.146   74.885   27.326 -45.2733  236.409  183.510   39.340  182.484   90.230 1.026138 98.43320 
1 1 1  -27   13    6 o  210.393   48.812  115.711   31.893  118.399   32.170 -38.4339  243.595  236.537   34.852  184.249   91.191 52.28780 97.62352 
1 1 1  -27   13    7 o  280.317   53.705  255.170   44.171  257.762   44.775  161.139  269.707  350.569   32.729  210.065  102.302 140.5036 107.4098 
1 1 1  -27   13    8 o  475.869   31.496  472.732   58.488  472.732   58.488   0.0000   0.0000  475.869   31.496  ?   ?       ?      ? 
1 1 1  -27   13    9 o  185.339   49.407   75.729   28.366   76.525   28.662   37.821  197.768  184.460   40.891  186.218   89.955 -1.757645 98.81319 
1 1 1  -27   13   10 o  147.319   45.975   33.708   24.976   35.212   25.259 -32.2640  167.290  127.187   42.910  167.450   81.324 -40.26364 91.95044 
1 1 1  -27   13   11 o  214.538   53.073  103.233   31.425  100.141   31.923  199.972  178.541  211.828   40.086  217.249   98.285 -5.420425 106.1457 
1 1 1  -27   13   12 o  182.062   54.115   54.918   28.476   51.169   28.830  204.656  182.189  148.554   45.473  215.570   98.213 -67.01575 108.2295 
1 1 1  -27   13   13 o  181.762   87.489   58.566  183.111   0.0000   0.0000   58.566  183.111  ?   ?   181.762   87.489      ?      ? 
1 1 1  -27   14    1 o  336.388   59.906  352.260   48.353  349.767   49.451  406.510  230.663  409.932   30.913  262.845  115.756 147.0875 119.8129 
1 1 1  -27   14    2 o  205.683   50.376   93.768   27.750   93.323   28.041  114.833  192.964  210.283   34.171  201.082   94.780 9.201462 100.7515 
1 1 1  -27   14    3 o  196.281   46.660   92.362   25.941   94.091   26.163  -7.9004  199.198  212.303   31.580  180.259   87.815 32.04359 93.32099 
1 1 1  -27   14    4 o  169.493   55.685   23.866   19.530   21.554   19.626  258.141  197.551  105.096   37.677  233.890  104.803 -128.7945 111.3695 
1 1 1  -27   14    5 o  227.568   49.858  139.650   32.934  141.009   33.354   86.706  208.128  259.044   32.994  196.092   94.098 62.95224 99.71504 
1 1 1  -27   14    6 f   75.350   32.845  -0.8051   18.153  -0.8051   18.153   0.0000   0.0000   75.350   32.845  ?   ?       ?      ? 
1 1 1  -27   14    7 o  265.499   35.464  149.996   36.744  149.996   36.744   0.0000   0.0000  265.499   35.464  ?   ?       ?      ? 
1 1 1  -27   14    8 o  178.227   49.443   68.342   28.986   69.389   29.284   17.657  203.761  173.927   43.310  182.527   88.897 -8.599976 98.88618 
1 1 1  -27   14    9 o  260.155   52.783  204.438   44.289  205.283   45.445  188.455  197.591  308.408   37.760  211.901   98.582 96.50717 105.5660 
1 1 1  -27   14   10 o  168.566   49.544   50.188   25.487   49.025   25.786   99.612  168.042  146.314   42.585  190.819   89.470 -44.50502 99.08762 
1 1 1  -27   14   11 o  257.781   44.578  239.435   43.278  254.546   44.469 -31.5423  188.311  346.788   32.859  168.774   82.880 178.0138 89.15610 
1 1 1  -27   15    1 o  130.452   43.540   14.652   17.394   14.775   17.528   6.7180  140.580   93.056   35.206  167.849   79.645 -74.79372 87.07919 
1 1 1  -27   15    2 o  242.549   55.049  134.658   33.750  130.001   34.330  268.837  184.281  247.057   35.608  238.041  104.181 9.016083 110.0982 
1 1 1  -27   15    3 o  151.348   50.275   14.342   18.261   12.204   18.389  165.856  154.822   90.620   35.585  212.076   94.042 -121.4561 100.5496 
1 1 1  -27   15    4 o  136.343   48.794  -5.3112   15.872  -6.9919   15.955  154.138  155.410   64.770   29.335  207.917   93.074 -143.1473 97.58776 
1 1 1  -27   15    5 o  230.967   34.583  113.262   31.170  113.262   31.170   0.0000   0.0000  230.967   34.583  ?   ?       ?      ? 
1 1 1  -27   15    6 o  186.665   45.518   90.444   29.796   94.307   30.177 -59.7102  188.134  206.063   38.954  167.268   82.280 38.79533 91.03528 
1 1 1  -27   15    7 o  262.223   50.730  218.787   41.828  222.054   42.713  142.344  206.598  323.606   33.823  200.840   95.657 122.7659 101.4607 
1 1 1  -27   15    8 f  188.024   49.755   83.658   32.348   83.807   32.901   79.338  177.235  189.725   45.100  186.323   88.703 3.401855 99.51014 
1 1 1  -27   15    9 o  142.481   47.150   20.972   21.642   20.177   21.835   65.370  163.155  104.441   39.346  180.520   85.699 -76.07941 94.30004 
1 1 1  -27   16    1 o  210.804   42.204  131.819   31.734  139.058   32.706   15.366  131.178  256.751   32.642  164.858   77.840 91.89272 84.40729 
1 1 1  -27   16    2 o  160.479   45.949   46.397   22.790   45.908   23.110   63.693  137.445  142.468   39.952  178.490   82.758 -36.02147 91.89713 
1 1 1  -27   16    3 o  269.949   33.319  154.328   35.100  154.328   35.100   0.0000   0.0000  269.949   33.319  ?   ?       ?      ? 
1 1 1  -27   16    4 o  275.941   34.459  162.268   37.107  162.268   37.107   0.0000   0.0000  275.941   34.459  ?   ?       ?      ? 
1 1 1  -27   16    5 o  176.982   49.961   64.820   29.783   63.561   30.272  102.920  166.500  164.461   45.586  189.502   88.919 -25.04124 99.92284 
1 1 1  -27   16    6 o  229.680   53.436  148.038   41.532  145.762   42.525  195.038  193.260  251.554   44.970  207.805   96.949 43.74908 106.8712 
1 1 1  -26    0    1 o  240.322   19.395  118.459   24.857  118.459   24.857  118.459   24.857  240.322   27.429  240.322   27.429 -0.000000 0.000000 
1 1 1  -26    0    2 o  228.734   19.809  107.941   24.002  107.941   24.002  107.941   24.002  228.734   28.014  228.734   28.014 -0.000000 0.000000 
1 1 1  -26    0    3 o   62.630   24.543   10.810   12.462   10.810   12.462   10.810   12.462   62.630   34.709   62.630   34.709 -0.000000 0.000000 
1 1 1  -26    0    4 o   81.477   27.931   19.561   14.677   19.561   14.677   19.561   14.677   81.477   39.500   81.477   39.500 0.000000 0.000000 
1 1 1  -26    0    5 o  251.672   36.897  143.363   45.214  143.363   45.214  143.363   45.214  251.672   52.180  251.672   52.180 0.000000 0.000000 
1 1 1  -26    0    6 o  497.523   19.397  494.320   52.888  494.320   52.888  494.320   52.888  497.523   27.431  497.523   27.431 -0.000000 0.000000 
1 1 1  -26    0    7 o  193.441   24.158   80.879   23.389   80.879   23.389   80.879   23.389  193.441   34.164  193.441   34.164 -0.000000 0.000000 
1 1 1  -26    0    8 o   45.469   21.012  -1.3009   12.975  -1.3009   12.975  -1.3009   12.975   45.469   29.715   45.469   29.715 0.000000 0.000000 
1 1 1  -26    0    9 f  316.163   19.785  202.599   33.900  202.599   33.900  202.599   33.900  316.163   27.981  316.163   27.981 -0.000000 0.000000 
1 1 1  -26    0   10 o   45.019   21.355  -5.3764   14.900  -5.3764   14.900  -5.3764   14.900   45.019   30.200   45.019   30.200 0.000000 0.000000 
1 1 1  -26    0   11 o  333.828   20.803  226.374   37.642  226.374   37.642  226.374   37.642  333.828   29.421  333.828   29.421 -0.000000 0.000000 
1 1 1  -26    0   12 o  189.127   28.815   80.758   26.390   80.758   26.390   80.758   26.390  189.127   40.751  189.127   40.751 0.000000 0.000000 
1 1 1  -26    0   13 o   43.013   20.790  -9.2322   15.513  -9.2322   15.513  -9.2322   15.513   43.013   29.402   43.013   29.402 -0.000000 0.000000 
1 1 1  -26    0   14 o   78.036   30.831   17.259   19.845   17.259   19.845   17.259   19.845   78.036   43.602   78.036   43.602 -0.000000 0.000000 
1 1 1  -26    0   15 o  410.923   35.789  365.514   77.858  365.514   77.858  365.514   77.858  410.923   50.613  410.923   50.613 0.000000 0.000000 
1 1 1  -26    0   16 o  109.555   35.039   35.945   22.805   35.945   22.805   35.945   22.805  109.555   49.553  109.555   49.553 -0.000000 0.000000 
1 1 1  -26    0   17 o  210.220   54.931  129.814   59.077  129.814   59.077  129.814   59.077  210.220   77.685  210.220   77.685 -0.000000 0.000000 
1 1 1  -26    0   18 o  458.649   27.612  439.706   68.725  439.706   68.725  439.706   68.725  458.649   39.049  458.649   39.049 -0.000000 0.000000 
1 1 1  -26    0   19 f  385.641   21.474  304.541   45.052  304.541   45.052  304.541   45.052  385.641   30.369  385.641   30.369 0.000000 0.000000 
1 1 1  -26    0   20 o   32.268   16.493 -28.4769   15.300 -28.4769   15.300 -28.4769   15.300   32.268   23.325   32.268   23.325 -0.000000 0.000000 
1 1 1  -26    0   21 o  441.926   27.915  410.858   66.832  410.858   66.832  410.858   66.832  441.926   39.477  441.926   39.477 0.000000 0.000000 
1 1 1  -26    0   22 o  241.937   26.704  127.581   33.066  127.581   33.066  127.581   33.066  241.937   37.765  241.937   37.765 -0.000000 0.000000 
1 1 1  -26    1    1 o  345.058   18.149  237.898   24.436  239.999   34.408  235.761   34.708  346.667   25.434  343.448   25.896 3.218353 36.29757 
1 1 1  -26    1    2 o  501.977   19.092  504.612   37.393  495.901   52.331  513.700   53.451  497.575   26.950  506.378   27.049 -8.803040 38.18348 
1 1 1  -26    1    3 o  187.547   20.383   72.007   14.415   83.745   20.460   60.438   20.313  204.705   25.612  170.389   31.716 34.31541 40.76623 
1 1 1  -26    1    4 o  161.167   21.980   53.954   13.441   40.413   18.858   67.936   19.164  138.178   34.949  184.156   26.666 -45.97760 43.96028 
1 1 1  -26    1    5 o  411.259   28.602  350.436   45.868  346.204   63.474  355.061   66.355  409.069   39.762  413.449   41.126 -4.379974 57.20481 
1 1 1  -26    1    6 o  289.405   18.997  168.080   21.438  175.980   30.353  160.217   30.283  296.375   26.244  282.436   27.475 13.93884 37.99493 
1 1 1  -26    1    7 o  148.308   23.262   46.381   14.092   20.784   19.796   72.678   20.065  106.354   37.871  190.262   27.025 -83.90842 46.52447 
1 1 1  -26    1    8 o   61.374   19.232  -4.5436   9.0330   0.0036   14.108  -7.7029   11.759   68.677   29.439   54.071   24.756 14.60567 38.46400 
1 1 1  -26    1    9 o  205.742   22.277   85.738   17.847   94.026   25.888   78.232   24.637  215.371   30.802  196.114   32.191 19.25697 44.55395 
1 1 1  -26    1   10 o  209.993   27.826   93.519   22.219   84.472   32.119  101.822   30.770  197.316   42.933  222.670   35.411 -25.35367 55.65245 
1 1 1  -26    1   11 o  480.927   20.322  467.475   38.129  476.916   53.746  457.909   54.100  486.047   28.336  475.807   29.136 10.23993 40.64300 
1 1 1  -26    1   12 o  127.606   27.205   34.197   14.682   38.630   21.497   30.321   20.101  134.415   38.814  120.797   38.131 13.61839 54.41062 
1 1 1  -26    1   13 o  433.652   20.199  381.018   34.173  377.686   47.708  384.529   48.972  431.849   28.309  435.455   28.818 -3.605927 40.39708 
1 1 1  -26    1   14 o  329.414   20.745  220.829   26.649  209.687   37.245  232.516   38.145  320.706   29.760  338.122   28.909 -17.41574 41.48919 
1 1 1  -26    1   15 o  174.480   33.677   74.959   23.401   44.234   45.897   85.752   27.203  148.895   56.816  200.065   36.174 -51.16988 67.35450 
1 1 1  -26    1   16 o  204.529   26.088   90.292   20.044   91.520   28.917   89.155   27.809  205.626   37.415  203.432   36.364 2.194473 52.17511 
1 1 1  -26    1   17 o  433.571   34.013  421.784   57.461  437.724   80.437  405.172   82.113  443.854   46.439  423.288   49.710 20.56589 68.02681 
1 1 1  -26    1   18 o   89.256   25.625   7.3351   14.619  -5.2650   21.620   17.950   19.844   78.106   34.857  100.406   37.571 -22.29981 51.25022 
1 1 1  -26    1   19 o  159.219   29.530   57.558   18.599   53.746   27.110   60.948   25.564  153.598   43.342  164.839   40.120 -11.24071 59.06042 
1 1 1  -26    1   20 o  358.917   22.354  268.893   31.302  276.297   44.773  261.814   43.780  363.805   31.537  354.029   31.689 9.775696 44.70726 
1 1 1  -26    1   21 f  259.751   29.213  147.514   28.760  174.251   43.012  125.896   38.677  283.696   38.852  235.806   43.638 47.88922 58.42697 
1 1 1  -26    1   22 o  143.027   30.676   47.019   18.801   39.759   27.470   53.416   25.787  133.329   44.750  152.724   41.971 -19.39471 61.35250 
1 1 1  -26    2    1 o   67.808   18.828   2.3233   7.3530   12.656   12.431  -3.2380   9.1195   84.513   30.018   51.104   22.735 33.40974 37.65581 
1 1 1  -26    2    2 o  170.001   21.169   59.115   13.750   60.528   19.311   57.663   19.583  173.540   28.516  166.462   31.295 7.078369 42.33821 
1 1 1  -26    2    3 o  229.564   19.708  105.676   17.625  103.626   24.135  108.020   25.799  227.333   27.205  231.794   28.522 -4.460175 39.41556 
1 1 1  -26    2    4 o  418.493   18.580  350.333   30.321  342.549   41.926  358.869   43.903  413.748   25.967  423.237   26.581 -9.489349 37.15970 
1 1 1  -26    2    5 o  186.894   36.657   79.075   27.571   86.325   34.969   67.164   44.822  198.885   45.976  174.904   57.106 23.98125 73.31353 
1 1 1  -26    2    6 o  226.816   21.001  103.910   18.196   78.167   24.992  132.952   26.545  196.096   32.659  257.537   26.413 -61.44093 42.00294 
1 1 1  -26    2    7 o  139.868   24.978   41.798   13.778   33.615   19.788   49.498   19.195  126.470   37.447  153.267   33.065 -26.79699 49.95528 
1 1 1  -26    2    8 o  251.876   19.874  127.885   19.493  137.550   27.619  118.292   27.515  261.656   27.049  242.094   29.124 19.56195 39.74720 
1 1 1  -26    2    9 o  288.344   20.159  168.095   22.545  190.200   32.052  146.451   31.716  307.733   26.690  268.954   30.218 38.77939 40.31779 
1 1 1  -26    2   10 f  216.924   28.257  101.077   23.060   84.747   33.945  115.072   31.425  196.691   45.176  237.158   33.955 -40.46605 56.51406 
1 1 1  -26    2   11 o  451.984   20.112  412.127   35.448  399.663   49.014  425.796   51.328  444.942   28.228  459.026   28.654 -14.08322 40.22311 
1 1 1  -26    2   12 o   55.071   18.387 -13.3744   9.1765 -11.0916   16.986 -14.3152   10.905   64.495   29.611   45.648   21.806 18.84748 36.77365 
1 1 1  -26    2   13 o  305.060   20.778  189.064   24.734  185.919   34.766  192.288   35.195  302.462   29.455  307.658   29.314 -5.196320 41.55600 
1 1 1  -26    2   14 o  106.881   25.336   19.577   14.571  -5.3103   22.132   38.616   19.358   79.847   35.474  133.916   36.184 -54.06892 50.67269 
1 1 1  -26    2   15 o  187.482   32.376   89.484   24.254   40.421   45.603  108.837   28.641  145.262   56.319  229.702   31.952 -84.43958 64.75187 
1 1 1  -26    2   16 o  436.739   29.917  417.990   44.029  425.285   51.369  397.798   85.466  455.453   28.902  418.024   52.392 37.42859 59.83482 
1 1 1  -26    2   17 o  247.227   32.104  126.103   26.436  160.898   54.034  115.154   30.312  259.711   55.026  234.742   33.089 24.96866 64.20828 
1 1 1  -26    2   18 o  143.467   29.882   46.098   17.874   50.787   25.976   41.882   24.633  149.870   42.472  137.063   42.046 12.80739 59.76394 
1 1 1  -26    2   19 o  487.522   21.471  493.651   40.810  517.204   57.756  470.166   57.674  499.862   29.608  475.181   31.102 24.68015 42.94151 
1 1 1  -26    2   20 o  347.758   22.110  252.428   29.976  260.839   42.047  243.735   42.746  354.257   30.415  341.259   32.098 12.99759 44.21917 
1 1 1  -26    2   21 o  240.673   30.583  130.986   27.766  115.857   40.669  144.196   38.001  222.537   48.223  258.809   37.626 -36.27257 61.16506 
1 1 1  -26    2   22 o  165.796   29.874   63.403   19.501   54.995   28.052   71.265   27.128  153.975   44.303  177.618   40.089 -23.64250 59.74802 
1 1 1  -26    3    1 o  184.503   20.128   68.398   14.463   62.734   20.188   74.370   20.729  176.496   29.311  192.510   27.593 -16.01331 40.25537 
1 1 1  -26    3    2 o  306.690   18.207  187.831   21.756  183.497   29.813  192.769   31.822  303.066   25.208  310.315   26.278 -7.248871 36.41383 
1 1 1  -26    3    3 o  384.197   18.608  296.063   27.848  311.602   39.032  279.953   39.743  394.843   25.332  373.552   27.263 21.29108 37.21534 
1 1 1  -26    3    4 o  436.732   25.101  384.549   38.001  377.905   44.424  402.670   73.368  434.393   26.206  439.071   42.819 -4.678223 50.20205 
1 1 1  -26    3    5 f  362.523   29.556  274.288   41.313  276.710   54.641  271.055   63.125  366.286   38.227  358.759   45.089 7.527771 59.11237 
1 1 1  -26    3    6 o  156.831   24.544   52.034   14.620   53.326   20.992   50.817   20.375  158.716   34.847  154.946   34.574 3.770264 49.08821 
1 1 1  -26    3    7 o  294.896   19.654  174.736   22.597  169.862   31.163  180.141   32.815  290.667   27.473  299.125   28.112 -8.458374 39.30701 
1 1 1  -26    3    8 o  147.575   25.015   46.231   14.177   47.445   21.037   45.222   19.190  149.118   36.456  146.032   34.264 3.086609 50.03082 
1 1 1  -26    3    9 o  299.509   24.182  183.058   27.304  185.395   44.813  181.678   34.433  299.225   38.378  299.793   29.432 -0.5679626 48.36388 
1 1 1  -26    3   10 o  258.084   26.692  137.675   26.623  139.143   40.585  136.566   35.272  258.272   40.268  257.897   35.047 0.3746948 53.38383 
1 1 1  -26    3   11 o  288.454   21.829  169.838   24.187  207.503   34.760  134.483   33.677  320.703   27.774  256.206   33.683 64.49664 43.65759 
1 1 1  -26    3   12 f  268.646   21.530  146.725   22.452  127.813   31.183  167.083   32.354  250.126   31.946  287.166   28.871 -37.03963 43.05933 
1 1 1  -26    3   13 o  213.538   24.758   95.400   19.807  119.863   28.893   73.713   27.205  242.393   30.545  184.683   38.972 57.71008 49.51604 
1 1 1  -26    3   14 o  281.138   35.390  161.819   29.987  152.546   33.206  202.815   69.816  272.725   31.200  289.551   63.533 -16.82523 70.78012 
1 1 1  -26    3   15 o  367.417   20.932  275.692   29.961  258.988   40.986  294.862   43.909  355.542   29.540  379.292   29.665 -23.74942 41.86440 
1 1 1  -26    3   16 o   97.058   31.593  -4.7114   20.567  -0.5767   22.164 -30.3378   55.178   83.425   36.331  110.691   51.696 -27.26575 63.18531 
1 1 1  -26    3   17 o  260.516   35.068  173.994   30.489  114.346   56.449  198.561   36.228  211.026   63.421  310.005   29.946 -98.97955 70.13567 
1 1 1  -26    3   18 o  108.209   27.976   22.200   14.918   22.240   25.397   22.180   18.433  111.177   42.302  105.241   36.621 5.935730 55.95112 
1 1 1  -26    3   19 o  276.986   23.670  161.537   25.502  146.819   35.920  176.497   36.213  263.345   34.953  290.627   31.929 -27.28271 47.34098 
1 1 1  -26    3   20 o  336.934   22.390  236.889   29.413  224.066   40.771  250.806   42.475  327.255   31.925  346.612   31.402 -19.35684 44.78033 
1 1 1  -26    3   21 o  195.613   32.880   86.655   24.242  102.891   39.246   76.638   30.826  208.633   49.032  182.592   43.819 26.04131 65.75961 
1 1 1  -26    3   22 o  393.919   21.952  325.591   33.726  332.263   47.282  318.680   48.121  398.596   30.397  389.242   31.680 9.354004 43.90462 
1 1 1  -26    4    1 o  115.027   22.281   26.296   10.478   38.002   16.145   17.778   13.773  134.501   31.341   95.554   31.678 38.94766 44.56156 
1 1 1  -26    4    2 o  224.246   19.520  100.610   17.041   95.670   23.143  106.462   25.187  218.358   27.159  230.134   28.046 -11.77612 39.04072 
1 1 1  -26    4    3 o  223.375   18.879  100.785   16.309  113.718   22.783   87.194   23.356  238.665   24.461  208.085   28.762 30.57941 37.75729 
1 1 1  -26    4    4 o  456.354   26.243  414.874   40.243  402.080   46.136  455.578   82.293  447.877   26.397  464.832   45.366 -16.95554 52.48685 
1 1 1  -26    4    5 o  204.264   27.148   89.675   20.048   80.484   33.599   94.757   24.982  191.878   45.552  216.651   29.549 -24.77306 54.29662 
1 1 1  -26    4    6 o  383.472   19.236  293.352   28.666  272.765   38.460  319.086   43.000  368.632   26.735  398.312   27.664 -29.68088 38.47131 
1 1 1  -26    4    7 o  164.861   23.273   56.073   14.668   71.754   21.530   42.491   20.037  188.507   29.268  141.216   36.193 47.29150 46.54615 
1 1 1  -26    4    8 o  264.086   20.304  140.394   20.901  133.244   28.769  148.387   30.418  256.990   28.686  271.183   28.743 -14.19254 40.60858 
1 1 1  -26    4    9 o  267.615   25.021  150.435   24.791  135.006   40.830  159.445   31.201  254.121   41.173  281.109   28.442 -26.98807 50.04150 
1 1 1  -26    4   10 o  397.220   22.793  328.296   34.269  356.524   44.747  288.260   53.291  420.739   27.254  373.700   36.543 47.03918 45.58660 
1 1 1  -26    4   11 o  333.609   21.008  225.706   27.322  224.122   37.735  227.451   39.610  332.651   29.069  334.566   30.338 -1.915497 42.01674 
1 1 1  -26    4   12 o  291.749   21.582  172.793   24.529  162.492   33.539  184.639   35.966  282.471   30.426  301.027   30.616 -18.55609 43.16354 
1 1 1  -26    4   13 o   66.514   21.055  -9.3123   9.3458   7.0432   20.029 -13.8648   10.567   88.129   36.234   44.900   21.454 43.22854 42.10900 
1 1 1  -26    4   14 o   91.866   32.026 -21.9277   18.948 -19.9137   19.708 -46.5435   68.899   64.083   30.231  119.649   56.469 -55.56601 64.05223 
1 1 1  -26    4   15 o  291.152   22.425  174.235   25.396  156.924   34.582  194.502   37.417  275.295   32.190  307.010   31.231 -31.71463 44.85056 
1 1 1  -26    4   16 o  324.389   41.753  252.150   48.207  252.777   59.087  250.903   83.368  339.177   44.641  309.602   70.572 29.57556 83.50597 
1 1 1  -26    4   17 o  230.316   29.515  110.033   24.354  138.220   44.018   97.599   29.236  245.512   47.662  215.120   34.826 30.39116 59.03023 
1 1 1  -26    4   18 o   71.444   22.814  -8.5895   11.301   5.0852   23.597 -12.6593   12.873   90.585   38.428   52.304   24.600 38.28078 45.62774 
1 1 1  -26    4   19 o  299.198   23.232  187.755   27.106  185.827   37.559  189.851   39.157  297.945   32.303  300.451   33.397 -2.506744 46.46336 
1 1 1  -26    4   20 o  242.894   25.238  125.894   23.847  117.818   34.184  133.550   33.283  234.301   37.387  251.486   33.914 -17.18460 50.47691 
1 1 1  -26    4   21 o  146.337   30.609   51.252   22.597  -0.4979   38.504   78.441   27.909  105.436   46.819  187.237   39.442 -81.80118 61.21842 
1 1 1  -26    4   22 o  227.033   28.521  116.199   24.289   93.206   34.852  137.913   33.870  199.650   45.718  254.416   34.114 -54.76616 57.04268 
1 1 1  -26    5    1 o  152.828   36.281   15.018   14.441   8.7658   14.874  117.624   60.256   81.979   32.059  223.677   65.097 -141.6986 72.56280 
1 1 1  -26    5    2 o  296.494   18.808  176.229   21.651  175.579   29.171  177.026   32.306  296.289   25.229  296.699   27.902 -0.4104919 37.61687 
1 1 1  -26    5    3 o  287.213   27.469  116.854   22.543   96.497   24.010  268.271   65.484  218.988   28.096  355.438   47.210 -136.4504 54.93822 
1 1 1  -26    5    4 o  355.987   18.902  251.532   26.111  226.524   34.798  283.757   39.502  336.032   26.536  375.942   26.925 -39.91006 37.80407 
1 1 1  -26    5    5 o  496.491   24.099  503.204   44.696  504.377   74.699  502.550   55.783  493.669   38.774  499.313   28.629 -5.644073 48.19807 
1 1 1  -26    5    6 o  425.696   19.588  365.500   32.455  382.743   45.087  346.957   46.755  436.708   26.456  414.684   28.892 22.02383 39.17517 
1 1 1  -26    5    7 o   86.725   22.747   12.130   10.577   1.3574   17.988   17.823   13.076   78.565   33.447   94.885   30.838 -16.32034 45.49430 
1 1 1  -26    5    8 o  355.915   20.190  252.908   27.891  227.378   37.232  285.556   42.103  335.721   28.419  376.110   28.686 -40.38895 40.37978 
1 1 1  -26    5    9 o  128.067   29.681   33.637   15.914   29.338   31.786   35.076   18.384  127.588   47.588  128.547   35.484 -0.9592285 59.36151 
1 1 1  -26    5   10 o  265.240   22.847  144.585   23.404  152.031   31.507  135.417   34.959  273.897   29.477  256.584   34.914 17.31369 45.69338 
1 1 1  -26    5   11 o   83.010   23.611   1.6620   10.512   20.795   21.614  -4.2661   12.031  107.694   39.407   58.326   26.018 49.36809 47.22132 
1 1 1  -26    5   12 o  178.308   25.908   68.993   17.637   51.259   25.793   84.568   24.171  152.987   41.948  203.629   30.417 -50.64223 51.81511 
1 1 1  -26    5   13 o  165.160   26.807   57.742   16.869   73.000   25.961   46.591   22.192  184.008   37.428  146.311   38.388 37.69806 53.61430 
1 1 1  -26    5   14 o  207.054   37.026  127.491   30.273  146.322   32.384  -2.9862   85.243  266.606   31.126  147.502   67.193 119.1037 74.05266 
1 1 1  -26    5   15 o  102.722   23.377   15.508   14.508 -29.9527   24.084   41.401   18.176   67.144   32.164  138.300   33.932 -71.15591 46.75406 
1 1 1  -26    5   16 o  145.148   43.450   31.049   34.783   29.067   38.315   40.333   82.935  128.997   51.139  161.299   70.260 -32.30188 86.90070 
1 1 1  -26    5   18 o  242.982   24.481  123.713   23.000  148.600   34.056  102.842   31.188  266.235   32.779  219.730   36.372 46.50560 48.96276 
1 1 1  -26    5   19 o  145.637   30.241   47.764   18.109   49.625   28.367   46.485   23.526  147.390   45.104  143.884   40.296 3.506714 60.48272 
1 1 1  -26    5   20 o  159.472   31.804   63.337   21.258   35.694   39.198   74.854   25.302  134.231   52.167  184.712   36.396 -50.48102 63.60856 
1 1 1  -26    5   21 o  185.988   28.271   75.017   20.660  113.764   31.376   45.361   27.450  231.083   34.794  140.894   44.569 90.18901 56.54222 
1 1 1  -26    6    1 o  357.553   27.489  226.401   29.989  205.861   32.765  332.423   74.441  320.431   26.203  394.675   48.333 -74.24323 54.97858 
1 1 1  -26    6    2 o  385.085   28.770  303.121   34.876  299.334   39.131  317.747   76.901  386.477   25.946  383.694   51.359 2.782227 57.54058 
1 1 1  -26    6    3 o  123.413   33.963   25.451   15.951   27.893   16.510  -8.7649   61.803  115.711   34.190  131.115   58.694 -15.40454 67.92625 
1 1 1  -26    6    4 o  183.878   32.696   1.8075   18.394 -15.6880   19.166  205.812   65.448   66.155   30.752  301.601   57.710 -235.4458 65.39198 
1 1 1  -26    6    5 o   90.622   23.207   14.280   10.286   13.518   17.233   14.702   12.820   92.579   34.937   88.665   30.557 3.913956 46.41473 
1 1 1  -26    6    6 o  294.088   20.102  174.807   22.977  179.618   31.410  169.268   33.700  298.942   26.925  289.234   29.857 9.708710 40.20409 
1 1 1  -26    6    7 o  194.860   24.080   78.743   17.937   79.468   25.136   77.990   25.604  197.430   32.625  192.291   35.425 5.138245 48.15992 
1 1 1  -26    6    8 o  170.861   31.324   67.623   20.470   48.733   37.838   75.439   24.340  152.308   52.497  189.413   34.186 -37.10414 62.64743 
1 1 1  -26    6    9 o  358.196   22.385  264.911   30.580  281.372   40.112  242.068   47.252  373.523   27.519  342.870   35.315 30.65283 44.77053 
1 1 1  -26    6   10 o  446.408   21.003  402.038   36.383  381.483   48.492  428.510   55.032  434.057   28.628  458.759   30.740 -24.70276 42.00589 
1 1 1  -26    6   11 o   78.224   22.975  -1.1255   9.6773   17.540   21.654  -5.7838   10.818  103.285   39.118   53.163   24.109 50.12136 45.95046 
1 1 1  -26    6   12 o  127.388   27.627   34.473   14.813   34.208   23.867   34.639   18.892  127.604   41.672  127.172   36.284 0.4323273 55.25485 
1 1 1  -26    6   13 o  186.345   27.173   76.656   19.442   50.689   27.929  101.068   27.080  151.018   44.425  221.671   31.305 -70.65306 54.34651 
1 1 1  -26    6   14 o  141.695   42.774   15.924   22.843   11.038   23.679   81.443   86.712   97.389   39.645  186.001   75.808 -88.61193 85.54814 
1 1 1  -26    6   15 o  155.356   40.743   51.941   25.729   55.221   26.925   17.463   87.284  156.559   42.831  154.153   69.323 2.406128 81.48692 
1 1 1  -26    6   16 o  124.480   29.499   34.764   17.026   9.6149   35.717   42.159   19.368  110.274   47.043  138.685   35.605 -28.41088 58.99811 
1 1 1  -26    6   17 o  109.684   29.950   21.816   17.325 -11.4562   41.477   28.848   19.069  103.203   46.958  116.166   37.190 -12.96290 59.90081 
1 1 1  -26    6   18 o  138.381   27.662   44.786   18.229   6.9662   29.894   67.174   23.000  100.931   43.047  175.830   34.752 -74.89919 55.32405 
1 1 1  -26    6   19 o  185.446   29.811   77.768   20.906   78.599   32.107   77.157   27.545  184.654   44.973  186.238   39.143 -1.583557 59.62201 
1 1 1  -26    6   20 o  180.269   35.334   78.487   24.296   72.385   47.083   80.702   28.365  170.514   58.573  190.024   39.538 -19.51012 70.66825 
1 1 1  -26    6   21 o  308.342   23.783  202.216   28.481  180.942   40.217  223.620   40.339  290.649   35.458  326.036   31.705 -35.38718 47.56538 
1 1 1  -26    7    1 o  192.758   40.460   47.531   17.716   41.730   18.218  148.516   76.009  140.352   33.690  245.163   73.574 -104.8103 80.92068 
1 1 1  -26    7    2 o  240.461   38.895  174.052   29.099  191.297   30.862   35.972   87.331  308.987   25.595  171.935   73.460 137.0523 77.79083 
1 1 1  -26    7    3 o  286.815   34.658  136.932   25.080  124.407   26.490  245.262   77.904  248.714   27.293  324.917   63.718 -76.20245 69.31699 
1 1 1  -26    7    4 o  125.645   37.294   18.366   20.654   19.283   21.687   9.4236   67.738  106.128   39.362  145.162   63.357 -39.03429 74.58877 
1 1 1  -26    7    5 o  122.515   37.596   8.2196   16.713   6.3925   17.217   38.036   69.554   82.897   33.782  162.134   67.175 -79.23643 75.19130 
1 1 1  -26    7    6 o  287.371   38.826  170.178   29.434  164.866   31.574  205.418   81.331  285.837   28.306  288.905   72.310 -3.067657 77.65263 
1 1 1  -26    7    7 o  181.546   46.708   49.382   33.848   33.607   37.003  130.220   83.766  135.954   51.220  227.138   78.121 -91.18483 93.41514 
1 1 1  -26    7    8 o  312.746   21.316  196.575   25.882  175.395   34.672  223.229   38.896  293.878   30.233  331.614   30.057 -37.73581 42.63179 
1 1 1  -26    7    9 o  350.163   22.474  247.777   30.188  236.562   38.905  264.747   47.858  341.533   29.190  358.793   34.180 -17.25958 44.94847 
1 1 1  -26    7   10 o  363.228   21.542  266.619   30.352  248.472   40.326  290.334   46.098  349.551   29.563  376.906   31.342 -27.35526 43.08423 
1 1 1  -26    7   11 o  118.775   25.743   23.768   12.576   47.631   23.406   14.082   14.911  147.778   39.728   89.772   32.749 58.00604 51.48640 
1 1 1  -26    7   12 o   81.468   23.501   7.4787   10.984  -4.0364   22.793   10.962   12.536   81.962   36.227   80.975   29.948 0.9872589 47.00277 
1 1 1  -26    7   13 o  306.370   21.693  193.047   25.919  183.955   36.070  202.753   37.269  298.784   30.935  313.955   30.419 -15.17117 43.38589 
1 1 1  -26    7   14 o  348.509   39.690  228.081   35.964  207.840   38.307  378.573  104.451  317.025   30.963  379.993   73.092 -62.96851 79.37979 
1 1 1  -26    7   15 o  117.055   35.896   9.8436   29.611   29.967   31.534 -140.2002   86.108  124.934   47.233  109.176   54.067 15.75761 71.79257 
1 1 1  -26    7   16 o  441.591   26.304  404.447   43.565  460.976   74.114  374.604   53.850  460.083   41.279  423.098   32.615 36.98511 52.60886 
1 1 1  -26    7   17 o  477.936   21.849  475.160   40.723  498.489   58.022  452.511   57.170  490.028   30.342  465.844   31.448 24.18341 43.69881 
1 1 1  -26    7   18 o  219.013   27.696  107.017   22.602   90.597   34.048  119.955   30.223  198.735   44.954  239.290   32.365 -40.55515 55.39228 
1 1 1  -26    7   19 f  175.307   34.286   55.800   20.255  111.132   47.025   43.197   22.443  211.760   56.035  138.853   39.524 72.90691 68.57106 
1 1 1  -26    7   20 o  118.112   27.322   28.075   17.577  -9.6763   29.004   49.987   22.097   86.805   39.408  149.419   37.853 -62.61457 54.64318 
1 1 1  -26    7   21 o  233.318   28.798  122.747   25.165   95.891   35.583  149.620   35.594  202.057   46.140  264.578   34.474 -62.52118 57.59676 
1 1 1  -26    8    1 o  183.923   44.136   50.351   17.462   48.295   17.750  112.046   97.248  151.770   31.018  216.075   82.642 -64.30489 88.27142 
1 1 1  -26    8    2 o  212.243   40.036  108.423   24.444  111.879   25.584   72.217   82.813  235.635   27.823  188.852   75.083 46.78329 80.07257 
1 1 1  -26    8    3 o  240.664   42.902  115.118   30.817  107.528   33.167  163.075   83.366  228.119   37.257  253.209   77.292 -25.08974 85.80326 
1 1 1  -26    8    4 o  251.495   41.875  141.966   27.729  141.635   29.325  144.764   85.235  264.885   28.369  238.106   78.798 26.77892 83.74957 
1 1 1  -26    8    5 o  244.753   41.350  161.868   29.709  171.565   31.543   85.671   88.421  291.690   27.711  197.817   77.920 93.87297 82.70039 
1 1 1  -26    8    6 o  314.466   46.789  267.942   52.616  315.711   62.693  154.140   96.766  387.749   41.432  241.183   83.906 146.5659 93.57836 
1 1 1  -26    8    7 o  412.500   43.515  408.141   61.061  445.451   74.951  334.514  105.290  459.906   41.762  365.094   76.357 94.81186 87.03083 
1 1 1  -26    8    8 o  202.852   54.366   74.948   26.802   74.989   27.023   72.452  209.620  186.793   38.356  218.910  101.741 -32.11787 108.7312 
1 1 1  -26    8    9 o  165.844   46.175   16.657   21.418   9.6613   21.956  154.334   97.399   94.186   38.238  237.503   84.062 -143.3167 92.35050 
1 1 1  -26    8   10 o  275.406   47.760  138.872   30.762  129.044   31.963  262.332  113.284  250.376   32.713  300.437   89.743 -50.06042 95.51979 
1 1 1  -26    8   11 o  133.230   26.102   33.311   13.839   57.950   24.214   21.360   16.864  162.846   38.678  103.614   35.061 59.23181 52.20420 
1 1 1  -26    8   12 o  135.051   26.787   41.281   16.517   12.487   26.177   60.330   21.291  102.276   41.664  167.827   33.679 -65.55048 53.57426 
1 1 1  -26    8   13 o   80.353   23.390   6.4486   11.468 -11.1095   23.579   11.889   13.125   77.523   35.324   83.182   30.667 -5.659454 46.77929 
1 1 1  -26    8   14 o  473.463   36.110  488.279   50.712  475.850   55.975  545.202  119.788  480.059   29.879  466.867   65.749 13.19220 72.21982 
1 1 1  -26    8   15 o  222.324   28.780  104.197   23.001  122.445   40.827   95.712   27.839  231.084   46.876  213.564   33.404 17.52071 57.56044 
1 1 1  -26    8   16 o  458.682   22.669  440.547   40.475  459.765   56.252  419.916   58.283  470.389   30.645  446.976   33.414 23.41318 45.33834 
1 1 1  -26    8   17 o  301.337   22.752  189.464   26.690  197.749   39.414  182.447   36.272  306.938   32.905  295.737   31.429 11.20032 45.50312 
1 1 1  -26    8   18 o  114.611   28.280   27.694   15.316   15.690   29.142   32.276   18.003  107.646   43.918  121.577   35.640 -13.93102 56.56025 
1 1 1  -26    8   19 o  122.910   32.328   31.342   18.371   1.6259   49.718   36.041   19.770  118.182   52.792  127.638   37.328 -9.456551 64.65596 
1 1 1  -26    8   20 o  130.970   29.618   37.158   16.434   43.552   28.276   33.897   20.195  138.160   45.369  123.781   38.086 14.37961 59.23629 
1 1 1  -26    9    1 o  305.028   59.220  204.587   32.698  201.641   33.176  304.626  193.353  316.500   26.861  293.556  115.354 22.94440 118.4398 
1 1 1  -26    9    2 o  173.493   44.903   47.448   20.119   46.001   20.515   83.885  102.933  146.625   36.095  200.360   82.233 -53.73494 89.80600 
1 1 1  -26    9    3 o  117.438   39.527  -3.4972   14.907  -4.4130   15.115   29.148   90.247   66.099   29.344  168.776   73.406 -102.6775 79.05382 
1 1 1  -26    9    4 o  266.592   43.396  184.383   31.462  191.156   33.389  130.747   93.965  307.688   27.807  225.496   82.217 82.19231 86.79250 
1 1 1  -26    9    5 o  236.772   48.042  147.253   45.792  161.880   51.992   96.658   96.698  269.059   51.391  204.486   81.186 64.57245 96.08455 
1 1 1  -26    9    6 o  244.007   49.112  156.423   47.236  168.500   53.588  114.351  100.020  273.865   52.045  214.149   83.302 59.71651 98.22345 
1 1 1  -26    9    7 o  135.378   38.058   33.275   21.010   38.531   21.501 -77.9219   98.897  133.927   38.859  136.830   65.449 -2.902802 76.11584 
1 1 1  -26    9    8 o  264.332   53.637  188.474   34.458  190.688   34.913  105.282  214.020  306.115   29.226  222.550  103.216 83.56538 107.2745 
1 1 1  -26    9    9 o  227.598   45.359  124.832   30.076  126.168   31.303  108.785  108.489  247.533   32.405  207.663   84.733 39.87009 90.71804 
1 1 1  -26    9   10 o  137.817   44.217   7.8328   20.915   5.1796   21.343   72.019  104.976   87.949   36.885  187.686   80.373 -99.73682 88.43304 
1 1 1  -26    9   11 o  352.041   45.431  286.108   40.813  280.522   43.807  322.831  112.330  369.208   30.405  334.874   85.624 34.33478 90.86192 
1 1 1  -26    9   12 o  211.258   44.098  104.035   29.167  103.492   30.575  109.526   97.223  221.838   35.319  200.677   80.816 21.16142 88.19653 
1 1 1  -26    9   13 o  147.660   45.512  -5.4568   20.559 -12.2556   20.990  155.258  102.051   71.574   32.881  223.747   84.878 -152.1725 91.02394 
1 1 1  -26    9   14 o  311.019   48.223  222.341   45.234  205.831   49.563  304.655  110.668  307.557   41.296  314.481   87.158 -6.923492 96.44646 
1 1 1  -26    9   15 o  278.274   23.560  162.437   25.530  177.151   36.774  148.749   35.470  290.967   32.387  265.580   34.224 25.38715 47.11906 
1 1 1  -26    9   16 o  207.135   27.818   96.276   21.456   81.572   33.083  106.952   28.189  188.057   45.560  226.212   31.932 -38.15480 55.63600 
1 1 1  -26    9   17 o  249.255   25.988  136.001   24.117  118.571   36.151  149.979   32.374  230.239   41.774  268.270   30.924 -38.03090 51.97504 
1 1 1  -26    9   18 o  452.789   29.804  444.661   47.831  469.869   88.404  434.227   56.875  450.674   50.266  454.904   32.039 -4.229736 59.60832 
1 1 1  -26    9   19 o  367.483   24.381  283.087   34.637  255.438   45.350  321.796   53.660  347.172   33.474  387.793   35.458 -40.62106 48.76252 
1 1 1  -26   10    1 o  268.797   44.111  106.069   25.397   95.468   26.189  273.582  104.100  216.404   31.011  321.189   82.591 -104.7850 88.22130 
1 1 1  -26   10    2 o  522.568   71.060  658.857  144.910   0.0000   0.0000  658.857  144.910  ?   ?   522.568   71.060      ?      ? 
1 1 1  -26   10    3 o  431.481   70.138  506.808   53.868  502.065   55.007  617.826  266.102  497.895   28.311  365.067  137.390 132.8276 140.2769 
1 1 1  -26   10    4 o  131.603   44.599 -28.1034   37.365 -31.8031   39.487   3.5677  115.532   92.486   43.366  170.721   77.946 -78.23494 89.19798 
1 1 1  -26   10    5 o  214.878   56.160  114.503   50.250  121.050   51.909   16.994  200.327  226.674   58.340  203.082   95.981 23.59131 112.3210 
1 1 1  -26   10    6 o  223.785   46.986  111.877   28.072  111.572   28.874  117.135  119.943  233.258   31.721  214.311   88.456 18.94737 93.97163 
1 1 1  -26   10    7 o  266.060   52.798  200.005   35.902  203.195   36.418   89.758  214.094  315.543   29.575  216.578  101.369 98.96536 105.5953 
1 1 1  -26   10    8 o  256.085   47.657  155.759   32.926  154.336   34.410  171.197  113.353  273.543   32.235  238.628   89.697 34.91576 95.31314 
1 1 1  -26   10    9 o  277.974   46.860  135.891   30.094  124.089   31.258  285.532  111.301  244.728   32.730  311.220   87.819 -66.49205 93.71994 
1 1 1  -26   10   10 o  230.975   42.625  149.240   32.146  157.399   33.914   77.057  100.871  275.854   31.504  186.096   79.215 89.75842 85.24996 
1 1 1  -26   10   11 o  218.138   42.328  123.632   30.090  127.680   31.787   88.725   93.353  247.459   32.917  188.817   77.994 58.64182 84.65558 
1 1 1  -26   10   12 o  147.763   43.873   33.974   24.530   33.729   25.193   38.451  107.655  125.890   42.852  169.637   76.571 -43.74727 87.74644 
1 1 1  -26   10   13 o  363.247   49.264  385.210   47.635  405.184   51.827  276.494  120.910  442.379   30.021  284.115   93.843 158.2648 98.52802 
1 1 1  -26   10   14 o  153.351   42.002   49.149   28.643   51.231   30.419   32.869   85.060  149.475   46.869  157.227   69.713 -7.751328 84.00370 
1 1 1  -26   10   15 o  157.444   44.119   32.741   24.730   25.171   25.845  114.826   85.110  114.898   42.901  199.990   77.107 -85.09175 88.23758 
1 1 1  -26   10   16 o  263.267   48.975  189.942   50.723  197.741   64.691  177.495   81.724  280.646   60.824  245.888   76.776 34.75729 97.94917 
1 1 1  -26   10   17 o  129.368   58.874  -2.1207   65.236   0.0000   0.0000  -2.1207   65.236  ?   ?   129.368   58.874      ?      ? 
1 1 1  -26   10   18 o  185.151   67.612   93.054   63.580   93.054   63.580   0.0000   0.0000  185.151   67.612  ?   ?       ?      ? 
1 1 1  -26   10   19 f  396.655   22.924  332.474   35.456  316.366   49.120  349.995   51.230  386.498   32.567  406.811   32.270 -20.31348 45.84731 
1 1 1  -26   11    1 o  228.178   52.736  119.061   32.560  119.915   33.031   89.723  193.606  240.482   35.197  215.874   99.427 24.60899 105.4727 
1 1 1  -26   11    2 o  252.014   62.829   82.877   24.739   78.329   24.912  405.521  209.822  192.187   34.484  311.840  120.833 -119.6525 125.6572 
1 1 1  -26   11    3 o  276.185   64.263  186.503   54.496  178.499   56.215  311.376  222.036  279.518   53.485  272.851  116.868 6.667603 128.5255 
1 1 1  -26   11    4 o  155.538   43.273   41.012   20.723   41.673   21.094   22.713  110.961  138.611   37.906  172.465   77.803 -33.85431 86.54557 
1 1 1  -26   11    5 o  176.095   49.756   54.551   22.796   55.447   22.949 -11.9911  197.816  159.730   37.464  192.460   92.191 -32.72971 99.51262 
1 1 1  -26   11    6 o  258.449   55.434  161.995   32.356  161.091   32.750  198.889  209.202  280.388   29.931  236.511  106.750 43.87650 110.8671 
1 1 1  -26   11    7 o  189.595   56.683   44.734   22.997   42.234   23.161  219.070  193.408  138.734   40.354  240.456  105.941 -101.7213 113.3667 
1 1 1  -26   11    8 o  204.297   58.307   54.975   24.990   50.986   25.211  280.212  189.436  151.329   41.463  257.264  108.995 -105.9351 116.6149 
1 1 1  -26   11    9 o  141.950   47.349   17.243   21.233   17.276   21.413   15.299  164.249  101.587   38.797  182.313   86.386 -80.72566 94.69841 
1 1 1  -26   11   10 o  188.266   41.642   95.823   29.431  103.547   29.981 -108.9459  154.372  221.911   34.620  154.622   75.748 67.28868 83.28474 
1 1 1  -26   11   11 o  284.596   47.047  243.047   40.290  254.525   42.885  156.716  117.612  349.830   31.413  219.363   88.695 130.4675 94.09357 
1 1 1  -26   11   12 o  244.540   46.612  128.600   30.698  121.615   32.151  200.695  103.290  240.185   34.302  248.895   86.683 -8.709244 93.22318 
1 1 1  -26   11   13 o  196.889   80.751  110.901   99.168   0.0000   0.0000  110.901   99.168  ?   ?   196.889   80.751      ?      ? 
1 1 1  -26   11   14 o  122.383   36.443   23.002   23.004   28.731   24.112 -35.0553   76.760  118.214   41.827  126.552   59.689 -8.338387 72.88584 
1 1 1  -26   11   15 o  182.838   40.476   82.874   27.827   85.240   30.003   68.317   74.409  195.057   40.731  170.619   69.959 24.43811 80.95238 
1 1 1  -26   11   16 o  188.964   48.509   96.651   46.337  105.348   65.049   87.691   66.023  195.965   68.759  181.963   68.444 14.00238 97.01788 
1 1 1  -26   11   17 f  100.748   48.541 -56.8988   56.691   0.0000   0.0000 -56.8988   56.691  ?   ?   100.748   48.541      ?      ? 
1 1 1  -26   11   18 o  399.118   60.477  610.224   64.579  617.179   66.758  508.857  254.878  541.171   31.611  257.065  116.749 284.1057 120.9533 
1 1 1  -26   12    1 o  182.046   47.793   66.610   22.090   68.001   22.227 -45.4464  199.495  178.866   33.061  185.225   89.686 -6.359375 95.58514 
1 1 1  -26   12    2 o  257.937   58.797  195.187   58.092  198.709   60.216  147.877  220.702  292.370   54.790  223.505  104.049 68.86508 117.5935 
1 1 1  -26   12    3 o  228.069   51.537  127.212   30.149  128.412   30.447   66.744  216.113  249.599   31.259  206.540   98.220 43.05937 103.0744 
1 1 1  -26   12    4 o  321.429   56.296  340.592   45.443  345.291   46.221  204.433  248.804  410.762   28.835  232.096  108.838 178.6658 112.5926 
1 1 1  -26   12    5 o  181.559   55.306   44.539   22.013   43.294   22.127  163.869  216.634  140.320   39.003  222.797  103.508 -82.47633 110.6126 
1 1 1  -26   12    6 o  128.885   47.452   0.5415   16.197   0.7448   16.249 -31.1843  202.994   73.529   31.558  184.241   89.503 -110.7116 94.90349 
1 1 1  -26   12    7 o  245.888   57.360  124.795   30.419  121.134   30.755  289.785  206.472  241.155   32.680  250.622  109.966 -9.466568 114.7194 
1 1 1  -26   12    8 o  166.939   49.221   46.118   23.933   45.917   24.176   55.990  169.348  143.446   41.086  190.432   89.457 -46.98566 98.44126 
1 1 1  -26   12    9 o  252.853   47.773  196.041   35.831  201.566   36.633   73.995  172.161  312.155   30.073  193.551   90.690 118.6048 95.54599 
1 1 1  -26   12   10 o  260.897   34.444  143.518   35.068  143.518   35.068   0.0000   0.0000  260.897   34.444  ?   ?       ?      ? 
1 1 1  -26   12   11 o  419.425   30.388  365.094   49.737  365.094   49.737   0.0000   0.0000  419.425   30.388  ?   ?       ?      ? 
1 1 1  -26   12   12 o  131.402   44.919   7.5630   20.594   7.1712   20.812   26.013  142.804   88.387   36.693  174.416   82.002 -86.02874 89.83755 
1 1 1  -26   12   13 o  130.142   41.591   37.351   23.858   37.351   23.858   0.0000   0.0000  130.142   41.591  ?   ?       ?      ? 
1 1 1  -26   12   14 o  240.194   50.489  156.580   35.413  156.733   36.186  153.098  172.293  272.344   34.048  208.044   95.065 64.30048 100.9782 
1 1 1  -26   12   15 o  175.477   47.509   66.963   28.189   67.769   28.644   42.239  158.638  172.026   42.834  178.927   84.815 -6.900253 95.01762 
1 1 1  -26   12   16 o  158.037   43.707   22.958   48.192  127.248   68.792 -77.5482   67.532  210.810   70.815  105.265   51.248 105.5449 87.41393 
1 1 1  -26   12   17 o  190.202   43.731  107.029   35.242  116.010   36.039 -89.2661  168.484  225.660   42.484  154.744   76.450 70.91519 87.46115 
1 1 1  -26   13    1 o  263.369   58.743  216.400   62.493  220.482   65.647  176.952  204.062  303.775   57.482  222.963  102.464 80.81265 117.4862 
1 1 1  -26   13    2 o  197.208   50.992   78.649   25.032   78.421   25.242   92.204  194.442  190.797   35.198  203.620   95.718 -12.82285 101.9844 
1 1 1  -26   13    3 o  245.054   50.933  167.182   34.268  169.287   34.735   90.601  209.544  285.908   31.132  204.199   96.993 81.70934 101.8669 
1 1 1  -26   13    4 o  156.205   50.426   28.999   19.683   28.734   19.780   55.883  199.175  116.586   37.929  195.824   93.449 -79.23782 100.8528 
1 1 1  -26   13    5 o  164.603   45.485   55.538   23.265   58.199   23.411 -155.5274  208.509  162.537   37.649  166.670   82.814 -4.133041 90.97003 
1 1 1  -26   13    6 o  203.032   53.487   84.214   27.414   83.363   27.623  139.816  223.240  195.219   37.624  210.845  100.139 -15.62663 106.9736 
1 1 1  -26   13    7 o  330.103   61.924  335.839   48.336  332.091   49.081  456.492  278.466  399.459   31.486  260.748  119.779 138.7104 123.8479 
1 1 1  -26   13    8 o  264.548   61.046  157.750   35.647  152.393   36.014  416.440  250.259  268.873   34.324  260.223  117.169 8.649292 122.0929 
1 1 1  -26   13    9 o  174.221   40.668   68.129   27.146   68.129   27.146   0.0000   0.0000  174.221   40.668  ?   ?       ?      ? 
1 1 1  -26   13   10 o  213.242   48.414  117.117   30.990  118.926   31.392   47.789  194.290  237.594   33.857  188.890   90.715 48.70332 96.82717 
1 1 1  -26   13   11 o  230.006  103.244  238.435  192.615   0.0000   0.0000  238.435  192.615  ?   ?   230.006  103.244      ?      ? 
1 1 1  -26   13   12 o  153.094   48.624   29.921   22.638   29.110   22.858   71.549  163.743  117.954   40.795  188.233   88.277 -70.27882 97.24728 
1 1 1  -26   13   13 o  142.370   42.211   45.908   25.132   45.908   25.132   0.0000   0.0000  142.370   42.211  ?   ?       ?      ? 
1 1 1  -26   13   14 o  143.082   49.263   10.254   21.371   8.6046   21.541  113.319  170.263   90.711   37.467  195.454   91.124 -104.7429 98.52582 
1 1 1  -26   13   15 o  203.361   54.601  137.566   68.534  168.205   74.226 -39.5214  178.449  240.636   72.817  166.087   81.381 74.54947 109.2024 
1 1 1  -26   14    1 o  186.595   47.211   80.230   26.857   82.195   27.139 -12.7299  186.657  193.945   37.211  179.245   86.781 14.69928 94.42238 
1 1 1  -26   14    2 o  137.492   43.079   27.676   18.853   29.559   18.966 -129.5941  173.371  117.414   37.036  157.571   77.791 -40.15752 86.15747 
1 1 1  -26   14    3 o  147.303   48.425   22.893   18.383   22.614   18.481   49.194  179.461  106.007   36.680  188.600   89.635 -82.59274 96.84995 
1 1 1  -26   14    4 o  207.689   54.025   81.195   25.422   78.943   25.645  209.425  193.539  190.602   35.792  224.777  101.951 -34.17441 108.0508 
1 1 1  -26   14    5 o  131.420   45.974   10.872   16.937   11.218   17.007 -31.0079  187.021   87.559   34.269  175.282   85.324 -87.72289 91.94891 
1 1 1  -26   14    6 o  190.699   47.709   88.150   28.911   90.671   29.197 -38.5357  206.976  203.104   38.241  178.295   87.421 24.80913 95.41887 
1 1 1  -26   14    7 o  231.642   46.892  165.382   34.728  171.030   35.060 -128.3622  252.852  286.459   31.363  176.825   88.384 109.6344 93.78367 
1 1 1  -26   14    8 o  261.027   33.783  143.512   34.412  143.512   34.412   0.0000   0.0000  261.027   33.783  ?   ?       ?      ? 
1 1 1  -26   14    9 o  247.671   55.401  158.707   34.692  157.198   35.013  239.738  256.506  273.713   32.780  221.628  105.842 52.08435 110.8017 
1 1 1  -26   14   10 o  204.630   52.899   96.599   32.142   96.082   32.479  121.100  223.606  206.835   41.680  202.425   97.242 4.410583 105.7982 
1 1 1  -26   14   11 o  145.490   46.297   30.758   23.417   32.237   23.598 -64.3957  189.253  122.552   41.475  168.429   82.787 -45.87636 92.59480 
1 1 1  -26   14   12 o  158.369   49.661   35.677   23.597   34.745   23.810   87.182  176.984  125.997   41.645  190.742   90.169 -64.74504 99.32170 
1 1 1  -26   14   13 o   60.993   28.855 -18.5032   18.186 -18.5032   18.186   0.0000   0.0000   60.993   28.855  ?   ?       ?      ? 
1 1 1  -26   14   14 o  297.228   58.556  353.800   87.341  384.760   95.753  200.474  213.091  386.689   63.454  207.766   98.432 178.9231 117.1123 
1 1 1  -26   15    1 o  144.992   47.332   25.447   17.415   25.801   17.480 -22.2966  203.082  110.504   35.631  179.480   87.703 -68.97589 94.66482 
1 1 1  -26   15    2 o  134.293   51.883  -8.8932   11.093  -9.5011   11.110  195.050  203.486   50.005   23.301  218.581  101.117 -168.5758 103.7670 
1 1 1  -26   15    3 o  161.956   52.690   27.663   20.680   26.109   20.800  160.435  192.280  112.649   38.918  211.263   97.929 -98.61404 105.3793 
1 1 1  -26   15    4 o  237.403   57.641  114.483   31.947  109.519   32.339  315.580  205.832  226.601   36.571  248.205  109.327 -21.60408 115.2812 
1 1 1  -26   15    5 o  123.029   48.045 -15.4524   12.392 -15.9492   12.419   98.499  188.074   48.538   23.210  197.520   93.244 -148.9824 96.08948 
1 1 1  -26   15    6 o  305.617   33.605  196.695   40.078  196.695   40.078   0.0000   0.0000  305.617   33.605  ?   ?       ?      ? 
1 1 1  -26   15    7 f  286.086   33.031  172.021   36.877  172.021   36.877   0.0000   0.0000  286.086   33.031  ?   ?       ?      ? 
1 1 1  -26   15    8 o  301.715   58.983  258.785   42.669  254.265   43.434  383.709  228.339  348.503   31.937  254.927  113.561 93.57535 117.9664 
1 1 1  -26   15    9 o  126.021   46.104  -2.8802   16.744  -3.3056   16.824   41.636  172.095   70.143   31.057  181.898   86.820 -111.7551 92.20762 
1 1 1  -26   15   10 o  218.329   50.297  123.787   35.534  123.973   36.231  119.107  181.994  239.061   38.836  197.598   92.796 41.46313 100.5949 
1 1 1  -26   15   11 o  181.566   52.790   54.477   25.466   51.541   25.739  190.393  175.137  150.031   42.195  213.102   96.781 -63.07193 105.5797 
1 1 1  -26   15   12 o  233.133   59.174  210.089   84.766  259.228   95.744   31.925  182.309  288.814   81.435  177.453   85.877 111.3604 118.3489 
1 1 1  -26   16    1 o  111.056   42.260  -5.2127   10.903  -5.1630   10.929 -15.3217  155.888   53.796   24.330  168.315   80.943 -114.5190 84.52044 
1 1 1  -26   16    2 o  200.345   52.854   75.608   24.895   73.502   25.119  191.887  186.642  183.128   36.431  217.563   99.232 -34.43530 105.7080 
1 1 1  -26   16    3 o  192.689   44.601   94.736   27.465   98.096   27.778 -52.0680  183.613  216.016   32.952  169.362   82.893 46.65430 89.20246 
1 1 1  -26   16    4 o   81.156   33.203   6.8046   16.715   6.8046   16.715   0.0000   0.0000   81.156   33.203  ?   ?       ?      ? 
1 1 1  -26   16    5 o  342.975   32.585  247.134   43.613  247.134   43.613   0.0000   0.0000  342.975   32.585  ?   ?       ?      ? 
1 1 1  -26   16    6 o  226.763   52.341  126.938   34.081  125.239   34.632  179.000  191.673  241.733   36.713  211.793   98.034 29.94011 104.6824 
1 1 1  -26   16    7 o  144.792   41.211   43.250   23.558   48.074   23.798 -191.7460  166.110  145.811   40.420  143.773   71.829 2.038315 82.42108 
1 1 1  -26   16    8 o  150.565   49.217   21.147   20.512   19.236   20.692  129.699  155.931  102.442   38.359  198.687   90.653 -96.24479 98.43449 
1 1 1  -26   16    9 o  161.744   46.537   49.117   23.872   49.241   24.159   44.019  155.312  147.105   40.706  176.383   83.700 -29.27736 93.07354 
1 1 1  -26   16   10 o  270.913   51.018  234.406   42.206  236.837   43.313  188.625  187.939  334.092   33.221  207.735   96.477 126.3568 102.0366 
1 1 1  -26   17    1 o  113.320   38.697   8.3551   14.832   9.4492   14.936 -68.9518  125.551   81.610   32.064  145.029   70.439 -63.41931 77.39344 
1 1 1  -26   17    2 o  106.208   36.232   23.252   18.011   23.252   18.011   0.0000   0.0000  106.208   36.232  ?   ?       ?      ? 
1 1 1  -26   17    3 o  155.202   39.358   54.319   23.872   54.319   23.872   0.0000   0.0000  155.202   39.358  ?   ?       ?      ? 
1 1 1  -26   17    4 o  168.353   48.951   67.855   56.492  100.058   60.516 -150.4265  157.553  191.878   66.377  144.828   71.966 47.05046 97.90268 
1 1 1  -26   17    5 o  137.582   46.007   16.834   23.940   16.762   24.217   19.924  158.707  102.933   40.704  172.231   82.521 -69.29779 92.01388 
1 1 1  -26   17    6 o  148.258   48.048   24.738   23.753   23.110   24.043   91.055  153.413  110.158   41.329  186.358   86.754 -76.19940 96.09533 
1 1 1  -26   17    7 o  176.109   50.280   55.447   26.090   52.517   26.485  151.520  151.653  150.704   42.948  201.514   90.928 -50.80984 100.5606 
1 1 1  -25    0    1 o   31.327   15.000  -3.8486   7.6882  -3.8486   7.6882  -3.8486   7.6882   31.327   21.213   31.327   21.213 -0.000000 0.000000 
1 1 1  -25    0    2 o  140.790   25.643   46.150   17.221   46.150   17.221   46.150   17.221  140.790   36.265  140.790   36.265 0.000000 0.000000 
1 1 1  -25    0    3 o  266.764   17.879  143.848   25.778  143.848   25.778  143.848   25.778  266.764   25.284  266.764   25.284 -0.000000 0.000000 
1 1 1  -25    0    4 o  108.615   28.011   31.130   15.466   31.130   15.466   31.130   15.466  108.615   39.614  108.615   39.614 -0.000000 0.000000 
1 1 1  -25    0    5 o  339.332   18.331  230.928   33.867  230.928   33.867  230.928   33.867  339.332   25.923  339.332   25.923 0.000000 0.000000 
1 1 1  -25    0    6 o   65.691   30.423  -2.6323   27.420  -2.6323   27.420  -2.6323   27.420   65.691   43.024   65.691   43.024 -0.000000 0.000000 
1 1 1  -25    0    7 o  371.568   18.969  276.829   38.432  276.829   38.432  276.829   38.432  371.568   26.826  371.568   26.826 -0.000000 0.000000 
1 1 1  -25    0    8 o  128.724   30.136   42.246   19.037   42.246   19.037   42.246   19.037  128.724   42.619  128.724   42.619 -0.000000 0.000000 
1 1 1  -25    0    9 o  537.422   19.848  576.298   58.500  576.298   58.500  576.298   58.500  537.422   28.069  537.422   28.069 -0.000000 0.000000 
1 1 1  -25    0   10 o   86.235   30.228   22.079   17.349   22.079   17.349   22.079   17.349   86.235   42.749   86.235   42.749 -0.000000 0.000000 
1 1 1  -25    0   11 o  222.600   29.387  108.888   32.412  108.888   32.412  108.888   32.412  222.600   41.560  222.600   41.560 0.000000 0.000000 
1 1 1  -25    0   12 o   74.775   28.964   15.930   17.128   15.930   17.128   15.930   17.128   74.775   40.962   74.775   40.962 -0.000000 0.000000 
1 1 1  -25    0   13 o  223.321   23.774  105.709   27.340  105.709   27.340  105.709   27.340  223.321   33.621  223.321   33.621 0.000000 0.000000 
1 1 1  -25    0   14 o  477.869   20.188  458.113   52.807  458.113   52.807  458.113   52.807  477.869   28.551  477.869   28.551 0.000000 0.000000 
1 1 1  -25    0   15 o  104.320   33.853   32.248   21.319   32.248   21.319   32.248   21.319  104.320   47.875  104.320   47.875 0.000000 0.000000 
1 1 1  -25    0   16 o  127.810   34.421   44.882   22.852   44.882   22.852   44.882   22.852  127.810   48.678  127.810   48.678 0.000000 0.000000 
1 1 1  -25    0   17 o  106.873   33.871   33.801   21.304   33.801   21.304   33.801   21.304  106.873   47.901  106.873   47.901 -0.000000 0.000000 
1 1 1  -25    0   18 o  360.116   37.090  287.038   69.150  287.038   69.150  287.038   69.150  360.116   52.454  360.116   52.454 -0.000000 0.000000 
1 1 1  -25    0   19 o   44.046   21.355 -10.2635   16.646 -10.2635   16.646 -10.2635   16.646   44.046   30.200   44.046   30.200 0.000000 0.000000 
1 1 1  -25    0   20 o  401.159   21.132  328.503   46.188  328.503   46.188  328.503   46.188  401.159   29.886  401.159   29.886 -0.000000 0.000000 
1 1 1  -25    0   21 o  175.832   32.850   74.984   27.541   74.984   27.541   74.984   27.541  175.832   46.457  175.832   46.457 0.000000 0.000000 
1 1 1  -25    0   22 f  138.926   40.802   57.366   31.166   57.366   31.166   57.366   31.166  138.926   57.703  138.926   57.703 0.000000 0.000000 
1 1 1  -25    0   23 o   62.760   28.484   2.8570   22.429   2.8570   22.429   2.8570   22.429   62.760   40.282   62.760   40.282 0.000000 0.000000 
1 1 1  -25    0   24 f  138.319   37.297   54.292   26.818   54.292   26.818   54.292   26.818  138.319   52.746  138.319   52.746 -0.000000 0.000000 
1 1 1  -25    1    1 o  154.602   20.261   48.638   11.945   53.510   16.952   43.833   16.835  163.909   26.502  145.295   30.655 18.61388 40.52257 
1 1 1  -25    1    2 o  114.228   21.266   27.095   9.7200   21.615   13.793   32.502   13.700  103.323   31.416  125.134   28.671 -21.81062 42.53229 
1 1 1  -25    1    3 o  296.103   17.782  174.508   20.513  186.577   29.081  162.556   28.939  306.483   24.315  285.723   25.954 20.76007 35.56430 
1 1 1  -25    1    4 o  248.149   18.266  122.483   17.622  108.591   24.438  137.531   25.434  233.309   26.841  262.989   24.782 -29.67943 36.53186 
1 1 1  -25    1    5 o  207.479   18.473   85.879   14.937   91.280   21.194   80.549   21.055  214.091   25.367  200.867   26.861 13.22403 36.94585 
1 1 1  -25    1    6 o  237.403   33.424  123.616   30.137  161.976   41.972   82.793   43.299  281.377   38.225  193.428   54.842 87.94922 66.84899 
1 1 1  -25    1    7 o  124.096   29.583   28.523   14.992   33.713   31.506   27.003   17.046  133.493   47.750  114.699   34.937 18.79469 59.16663 
1 1 1  -25    1    8 o  758.805   22.492  1164.05   66.596  1180.19   94.938  1148.41   93.442  763.952   31.845  753.658   31.771 10.29425 44.98363 
1 1 1  -25    1    9 o  277.135   19.485  153.938   20.986  135.915   29.130  173.387   30.261  259.959   28.715  294.311   26.348 -34.35229 38.97085 
1 1 1  -25    1   10 o  341.511   19.335  233.949   25.751  222.695   35.897  245.881   36.961  332.956   27.627  350.066   27.056 -17.10999 38.66920 
1 1 1  -25    1   11 o  172.523   28.188   62.324   18.673   82.537   28.470   47.065   24.736  197.058   38.402  147.987   41.275 49.07065 56.37674 
1 1 1  -25    1   12 o  163.382   25.207   56.573   15.657   66.512   22.587   47.379   21.723  177.940   33.763  148.824   37.438 29.11650 50.41304 
1 1 1  -25    1   13 o  186.594   34.756   70.599   21.542   66.409   23.917   88.607   49.586  176.969   35.860  196.219   59.547 -19.25003 69.51126 
1 1 1  -25    1   14 o  141.971   27.378   43.593   16.419   25.399   23.900   59.855   22.596  116.210   41.587  167.731   35.621 -51.52107 54.75695 
1 1 1  -25    1   15 o  295.402   20.581  176.933   23.724  177.283   33.431  176.578   33.672  295.750   28.967  295.055   29.243 0.6943970 41.16124 
1 1 1  -25    1   16 o  183.707   24.931   71.021   17.351   95.762   25.438   49.494   23.728  216.711   30.079  150.702   39.768 66.00883 49.86257 
1 1 1  -25    1   17 o  267.837   23.730  148.415   24.379  147.633   31.715  149.546   38.117  268.420   30.277  267.254   36.548 1.166687 47.45988 
1 1 1  -25    1   18 o  210.335   40.384  108.370   37.466  160.435   52.104   52.630   53.912  262.688   52.661  157.983   61.240 104.7057 80.76845 
1 1 1  -25    1   19 o  232.217   23.611  112.991   21.317  102.130   30.054  123.987   30.239  220.209   34.974  244.225   31.728 -24.01663 47.22117 
1 1 1  -25    1   20 o  330.159   21.518  226.180   27.714  222.008   39.451  230.246   38.941  326.827   30.932  333.491   29.922 -6.663910 43.03622 
1 1 1  -25    1   21 o  140.994   27.328   44.123   17.239   17.254   25.026   68.383   23.780  104.985   41.422  177.003   35.659 -72.01795 54.65662 
1 1 1  -25    1   22 o  414.379   38.861  371.035   62.841   0.0000   0.0000  371.035   62.841  ?   ?   414.379   38.861      ?      ? 
1 1 1  -25    1   23 o  358.519   22.577  269.733   31.579  272.337   45.280  267.268   44.064  359.961   32.234  357.078   31.622 2.883270 45.15498 
1 1 1  -25    1   24 o  211.803   28.367  101.925   22.608   77.808   32.677  124.068   31.311  181.766   46.022  241.840   33.177 -60.07378 56.73378 
1 1 1  -25    2    1 o  105.243   21.527   22.742   9.5942   15.874   13.982   28.854   13.189   92.643   31.914  117.844   28.901 -25.20088 43.05486 
1 1 1  -25    2    2 o  291.654   17.740  168.544   20.154  158.169   27.541  180.505   29.572  282.040   25.023  301.268   25.154 -19.22800 35.48005 
1 1 1  -25    2    3 o  233.106   18.194  107.484   16.406   89.186   22.320  128.992   24.198  211.417   27.053  254.795   24.337 -43.37799 36.38872 
1 1 1  -25    2    4 o  167.671   21.080   57.663   13.263   42.442   18.366   74.251   19.173  142.237   33.619  193.105   25.442 -50.86784 42.16083 
1 1 1  -25    2    5 o  446.707   18.605  397.169   32.392  377.417   44.507  419.414   47.233  434.961   26.221  458.453   26.401 -23.49225 37.20938 
1 1 1  -25    2    6 o  193.048   33.545   70.966   25.362   40.898   31.319  128.244   43.227  142.055   47.782  244.040   47.097 -101.9850 67.09096 
1 1 1  -25    2    7 o  374.834   23.949  293.445   32.813  258.561   55.219  312.487   40.797  354.282   39.940  395.387   26.441 -41.10501 47.89888 
1 1 1  -25    2    8 o  343.766   18.906  236.087   25.334  222.329   34.997  251.236   36.722  333.206   26.914  354.325   26.558 -21.11902 37.81122 
1 1 1  -25    2    9 o  478.439   19.407  458.872   36.213  446.370   50.196  472.442   52.296  471.735   27.267  485.143   27.623 -13.40781 38.81355 
1 1 1  -25    2   10 o  220.182   21.532   97.971   18.496   94.885   25.880  101.192   26.443  216.598   30.619  223.766   30.282 -7.168533 43.06356 
1 1 1  -25    2   11 o  549.044   27.915  620.669   59.592  679.177   88.982  573.085   80.246  572.028   39.861  526.060   39.089 45.96759 55.82911 
1 1 1  -25    2   12 o  436.118   19.616  382.605   33.370  375.425   46.372  390.317   48.058  431.988   27.508  440.247   27.973 -8.258911 39.23199 
1 1 1  -25    2   13 o  302.543   33.411  209.333   31.107  220.418   35.699  174.363   63.405  330.803   27.654  274.283   60.831 56.51953 66.82122 
1 1 1  -25    2   14 o  437.645   28.975  387.546   49.485   0.0000   0.0000  387.546   49.485  ?   ?   437.645   28.975      ?      ? 
1 1 1  -25    2   15 o  144.520   28.536   45.298   16.895   37.122   24.169   53.111   23.627  132.406   41.814  156.633   38.844 -24.22774 57.07221 
1 1 1  -25    2   16 o  138.208   29.864   40.732   17.097   42.613   28.748   39.703   21.267  140.798   45.723  135.618   38.430 5.180878 59.72808 
1 1 1  -25    2   17 o  239.635   24.000  118.582   22.219  114.815   29.247  123.725   34.168  236.059   31.749  243.212   36.000 -7.153107 47.99997 
1 1 1  -25    2   18 o  144.169   38.302   36.755   33.677   71.922   42.579 -21.9988   55.036  174.139   55.554  114.199   52.744 59.93984 76.60413 
1 1 1  -25    2   19 o  100.394   25.331   15.546   14.558  -9.0014   22.416   33.451   19.144   76.736   34.761  124.052   36.855 -47.31625 50.66195 
1 1 1  -25    2   20 o   68.948   22.183  -8.7728   12.576  -4.8183   20.751 -11.0684   15.810   76.807   34.223   61.089   28.234 15.71812 44.36638 
1 1 1  -25    2   21 o  238.868   24.625  120.924   22.804  105.223   31.994  137.135   32.511  221.910   36.946  255.825   32.565 -33.91496 49.24911 
1 1 1  -25    2   22 o  205.005   31.673  101.014   26.522   46.035   38.618  150.098   36.489  144.147   52.685  265.864   35.170 -121.7170 63.34537 
1 1 1  -25    2   23 o  144.515   28.789   47.489   19.493   13.091   29.213   75.099   26.172  104.968   43.516  184.063   37.704 -79.09462 57.57837 
1 1 1  -25    2   24 o  237.429   27.351  123.546   24.769  135.982   36.458  112.885   33.755  250.451   37.302  224.408   40.012 26.04265 54.70291 
1 1 1  -25    3    1 o  201.606   19.064   81.057   14.980   80.422   20.640   81.764   21.774  200.874   26.331  202.338   27.576 -1.464035 38.12803 
1 1 1  -25    3    2 o  143.590   20.815   42.801   11.273   38.290   15.922   47.335   15.963  135.522   30.804  151.659   28.003 -16.13725 41.63010 
1 1 1  -25    3    3 o  631.185   20.510  797.601   50.486  784.047   69.928  812.359   72.966  625.797   28.634  636.573   29.373 -10.77625 41.02031 
1 1 1  -25    3    4 o  192.216   20.434   74.168   15.299   77.033   21.298   71.113   21.992  196.245   27.810  188.186   29.946 8.058731 40.86785 
1 1 1  -25    3    5 o  517.219   19.285  535.035   38.916  543.877   54.858  526.077   55.216  521.670   26.947  512.767   27.594 8.902771 38.56900 
1 1 1  -25    3    6 o  233.546   34.990  123.394   30.687  143.280   39.306   92.353   49.108  264.445   38.088  202.648   58.707 61.79771 69.98029 
1 1 1  -25    3    7 o  248.703   20.162  123.918   19.334   99.988   26.560  150.893   28.199  222.689   30.563  274.717   26.304 -52.02759 40.32372 
1 1 1  -25    3    8 o  496.646   19.550  493.174   37.822  465.425   51.655  525.243   55.530  481.722   27.478  511.571   27.816 -29.84875 39.09938 
1 1 1  -25    3    9 o  185.826   23.766   72.927   16.451   48.342   23.086   98.288   23.448  150.311   39.017  221.340   27.146 -71.02882 47.53144 
1 1 1  -25    3   10 o  185.573   23.541   71.072   16.561   84.837   24.061   58.682   22.828  204.888   30.093  166.259   36.210 38.62903 47.08225 
1 1 1  -25    3   11 o  108.423   27.615   18.175   13.875   31.932   25.907   12.641   16.430  126.682   43.452   90.165   34.092 36.51621 55.23003 
1 1 1  -25    3   12 o  148.603   26.487   46.686   15.317   53.938   23.040   40.942   20.504  158.691   37.754  138.516   37.162 20.17509 52.97469 
1 1 1  -25    3   13 o  128.919   36.208   21.389   19.701   18.872   21.095   38.573   55.127  104.824   38.833  153.014   61.125 -48.19041 72.41691 
1 1 1  -25    3   14 o  216.861   29.786   89.497   22.115  133.885   43.726   74.240   25.636  246.890   47.103  186.833   36.470 60.05711 59.57180 
1 1 1  -25    3   15 o  207.968   23.320   89.294   18.441  101.749   27.077   78.520   25.185  223.288   31.075  192.647   34.779 30.64023 46.63963 
1 1 1  -25    3   16 o  185.889   29.210   69.450   19.665   98.079   35.088   56.339   23.745  210.782   44.075  160.996   38.343 49.78622 58.41912 
1 1 1  -25    3   17 o  104.236   39.523   18.397   22.121   18.397   22.121   0.0000   0.0000  104.236   39.523  ?   ?       ?      ? 
1 1 1  -25    3   18 o  191.908   32.922   70.805   21.769  118.741   44.944   56.113   24.882  224.910   52.211  158.906   40.119 66.00403 65.84493 
1 1 1  -25    3   19 o  263.286   22.951  144.244   23.333  173.033   34.007  118.635   32.073  289.231   30.129  237.340   34.629 51.89082 45.90152 
1 1 1  -25    3   20 o  280.771   22.761  164.726   24.934  168.951   35.603  160.659   34.930  284.364   32.083  277.178   32.293 7.186249 45.52108 
1 1 1  -25    3   21 o  123.303   28.454   28.165   16.384   52.257   26.216   12.725   20.987  151.678   42.558   94.928   37.780 56.74948 56.90818 
1 1 1  -25    3   22 o  264.981   32.515  164.139   31.667  122.687   46.897  198.879   42.933  224.633   54.135  305.329   36.032 -80.69614 65.03043 
1 1 1  -25    3   23 o  304.019   24.010  195.871   28.463  200.187   41.224  191.940   39.347  306.878   34.423  301.159   33.480 5.719086 48.01937 
1 1 1  -25    4    1 o  111.117   22.424   25.246   10.195   28.891   15.164   22.240   13.771  117.800   32.107  104.435   31.311 13.36528 44.84724 
1 1 1  -25    4    2 o  468.349   19.259  438.578   35.091  442.081   47.916  434.526   51.534  470.826   26.079  465.873   28.346 4.952515 38.51797 
1 1 1  -25    4    3 o  318.004   25.172  201.437   31.238  201.437   31.238   0.0000   0.0000  318.004   25.172  ?   ?       ?      ? 
1 1 1  -25    4    4 o  268.938   19.393  144.225   20.267  139.784   27.268  149.707   30.294  264.568   26.411  273.308   28.403 -8.739624 38.78550 
1 1 1  -25    4    5 o  492.616   25.929  481.637   43.659  467.006   50.474  525.114   87.009  483.285   26.763  501.948   44.419 -18.66299 51.85864 
1 1 1  -25    4    6 o  172.051   28.072   60.840   17.801   72.095   30.333   54.928   21.985  182.884   43.191  161.218   35.870 21.66637 56.14404 
1 1 1  -25    4    7 o  245.267   19.843  120.633   18.981  116.847   26.299  124.749   27.422  241.287   27.930  249.247   28.193 -7.960052 39.68557 
1 1 1  -25    4    8 o  308.387   19.897  191.138   23.876  191.309   32.575  190.940   35.097  308.884   27.025  307.890   29.211 0.9942322 39.79443 
1 1 1  -25    4    9 o  273.193   20.390  148.626   21.534  123.003   28.952  180.353   32.216  246.764   30.065  299.621   27.553 -52.85764 40.78085 
1 1 1  -25    4   10 o   92.881   24.660   2.1483   10.567   34.281   24.550  -5.1582   11.706  129.201   42.267   56.561   25.416 72.64038 49.32005 
1 1 1  -25    4   11 o  507.937   23.522  520.747   44.524  507.959   55.082  544.852   75.625  502.180   28.107  513.695   37.725 -11.51501 47.04439 
1 1 1  -25    4   12 o  566.116   20.758  644.342   45.703  605.883   61.599  691.435   68.165  547.789   28.816  584.443   29.887 -36.65375 41.51622 
1 1 1  -25    4   13 o  571.408   28.951  665.049   55.794  646.816   64.197  721.342  112.799  565.445   29.093  577.371   50.063 -11.92627 57.90288 
1 1 1  -25    4   14 o  105.194   26.893   18.905   16.166 -29.1148   33.823   33.124   18.404   85.428   40.082  124.960   35.865 -39.53197 53.78509 
1 1 1  -25    4   15 o  271.583   22.204  149.967   23.342  125.708   31.844  178.141   34.317  247.329   32.993  295.836   29.726 -48.50702 44.40862 
1 1 1  -25    4   16 o  140.289   30.541   42.461   17.409   41.039   32.416   43.038   20.638  139.686   48.566  140.892   37.045 -1.206543 61.08152 
1 1 1  -25    4   17 o  278.247   41.944  181.469   42.019  175.951   50.615  193.705   75.371  283.397   45.767  273.096   70.304 10.30112 83.88862 
1 1 1  -25    4   18 o  232.163   23.541  112.236   21.269  124.206   30.899  101.456   29.322  244.292   32.412  220.034   34.148 24.25809 47.08115 
1 1 1  -25    4   19 o  162.758   28.521   58.677   17.966   66.767   27.038   52.281   24.041  172.600   40.788  152.916   39.875 19.68353 57.04131 
1 1 1  -25    4   20 o  298.987   22.524  186.691   26.265  187.653   36.607  185.670   37.706  300.147   31.254  297.828   32.443 2.319275 45.04799 
1 1 1  -25    4   21 o  117.314   28.977   28.205   16.017   29.844   25.892   27.190   20.386  120.648   43.273  113.981   38.549 6.666969 57.95373 
1 1 1  -25    4   22 o  102.526   29.777   13.910   17.999   3.2983   34.997   17.726   20.987  104.097   45.484  100.955   38.444 3.142204 59.55474 
1 1 1  -25    4   23 o  381.930   22.775  307.068   33.928  312.575   48.909  301.960   47.106  384.922   32.560  378.939   31.855 5.982086 45.55075 
1 1 1  -25    5    1 o  325.474   27.316  167.053   25.647  146.758   27.491  303.279   71.226  271.189   25.977  379.758   48.062 -108.5690 54.63285 
1 1 1  -25    5    2 o  249.133   18.751  124.228   18.142  126.607   24.632  121.408   26.822  252.059   25.041  246.207   27.916 5.851715 37.50159 
1 1 1  -25    5    3 o  555.532   20.074  618.084   43.416  607.605   59.202  630.278   63.863  550.886   27.539  560.178   29.214 -9.291321 40.14758 
1 1 1  -25    5    4 o  272.594   19.227  147.511   20.362  131.184   27.475  167.405   30.328  255.918   27.511  289.271   26.867 -33.35274 38.45375 
1 1 1  -25    5    5 o  738.284   29.034  1139.12   77.098  1159.87   93.353  1094.61  136.734  757.570   31.577  718.999   48.732 38.57104 58.06852 
1 1 1  -25    5    6 o  105.817   25.743   20.748   11.912   21.627   22.827   20.420   13.964  110.855   40.508  100.778   31.779 10.07684 51.48531 
1 1 1  -25    5    7 o  330.483   19.442  219.287   25.026  220.677   34.418  217.727   36.455  331.898   26.573  329.068   28.388 2.829926 38.88495 
1 1 1  -25    5    8 o  124.039   24.155   29.828   12.467   48.059   19.560   17.356   16.178  150.809   34.043   97.269   34.278 53.54041 48.31092 
1 1 1  -25    5    9 o   90.811   24.005   13.137   11.144   14.071   18.397   12.595   14.005   95.072   36.045   86.549   31.713 8.522812 48.00987 
1 1 1  -25    5   10 o  405.234   24.883  342.986   37.520  312.122   61.444  361.337   47.380  387.153   40.669  423.315   28.681 -36.16202 49.76514 
1 1 1  -25    5   11 o  157.535   27.110   53.399   16.501   50.776   24.124   55.704   22.620  153.497   39.903  161.574   36.709 -8.077026 54.22011 
1 1 1  -25    5   12 o  126.373   26.773   33.752   14.127   31.694   22.290   35.133   18.262  124.078   40.259  128.669   35.304 -4.590797 53.54642 
1 1 1  -25    5   13 o  306.676   21.223  190.330   25.361  180.258   34.741  201.820   37.107  298.073   29.867  315.278   30.160 -17.20560 42.44581 
1 1 1  -25    5   14 o  131.262   28.059   37.209   15.937   26.852   24.496   44.811   20.985  118.266   42.126  144.257   37.075 -25.99093 56.11708 
1 1 1  -25    5   15 o  530.331   21.099  574.138   43.582  584.348   60.163  562.865   63.218  536.113   28.757  524.548   30.884 11.56537 42.19889 
1 1 1  -25    5   16 o  409.366   26.122  355.226   40.047  337.501   65.363  365.879   50.671  396.678   42.224  422.054   30.765 -25.37521 52.24328 
1 1 1  -25    5   17 o  263.671   45.623  161.064   41.415  146.603   47.448  207.334   84.872  252.798   49.868  274.544   76.413 -21.74591 91.24529 
1 1 1  -25    5   18 o  102.551   26.948   15.484   13.702   30.761   24.592   8.6066   16.500  121.689   42.301   83.413   33.398 38.27676 53.89669 
1 1 1  -25    5   19 o  437.935   21.415  398.141   36.515  408.138   50.440  387.133   52.929  444.737   29.063  431.133   31.459 13.60428 42.82928 
1 1 1  -25    5   20 o   70.573   22.546  -4.2308   11.659 -11.7325   23.897  -1.8874   13.356   77.276   35.347   63.871   27.998 13.40518 45.09197 
1 1 1  -25    5   21 o  184.077   33.403   78.281   22.739   80.316   41.891   77.430   27.075  181.129   54.679  187.026   38.383 -5.897125 66.80631 
1 1 1  -25    5   22 o  238.070   28.219  124.762   25.565  113.372   35.847  136.553   36.472  224.064   42.552  252.077   37.076 -28.01286 56.43869 
1 1 1  -25    5   23 o  290.277   25.158  181.278   28.353  171.698   41.376  189.760   38.931  281.436   37.674  299.117   33.352 -17.68127 50.31536 
1 1 1  -25    6    1 o  242.320   30.207   73.215   19.254   58.914   20.212  213.516   63.308  168.224   31.957  316.417   51.271 -148.1922 60.41436 
1 1 1  -25    6    2 o  182.019   33.343   87.012   21.139   97.011   22.554   14.728   60.641  220.292   26.235  143.746   61.309 76.54601 66.68678 
1 1 1  -25    6    3 o  298.534   26.881   92.630   20.984   64.998   22.014  367.443   69.423  176.462   33.186  420.607   42.296 -244.1453 53.76113 
1 1 1  -25    6    4 o  306.985   27.271   95.182   21.380   69.834   22.299  383.973   75.267  185.996   30.722  427.975   45.067 -241.9789 54.54189 
1 1 1  -25    6    5 o  164.536   25.754   58.181   15.970   49.239   26.142   63.504   20.170  151.454   42.499  177.618   29.100 -26.16341 51.50754 
1 1 1  -25    6    6 o  138.532   25.057   42.086   16.367   3.2410   26.332   66.543   20.894   95.380   40.534  181.685   29.469 -86.30546 50.11400 
1 1 1  -25    6    7 o  166.036   23.611   57.862   14.755   59.016   21.409   56.819   20.363  167.482   33.919  164.589   32.854 2.893478 47.22215 
1 1 1  -25    6    8 f  288.373   20.496  164.211   22.714  129.600   30.022  210.544   34.736  253.102   30.396  323.644   27.503 -70.54228 40.99178 
1 1 1  -25    6    9 o  351.820   25.334  257.054   33.165  243.141   54.956  265.023   41.593  341.407   41.249  362.233   29.424 -20.82639 50.66785 
1 1 1  -25    6   10 o  252.567   22.239  131.420   21.531  153.716   29.857  107.262   31.079  276.333   27.688  228.801   34.808 47.53175 44.47703 
1 1 1  -25    6   11 o  460.716   20.915  431.313   37.429  461.203   51.881  398.868   54.052  478.400   27.790  443.033   31.264 35.36685 41.82959 
1 1 1  -25    6   12 o  295.430   21.489  178.214   24.609  196.357   34.300  158.967   35.329  311.821   28.187  279.039   32.444 32.78229 42.97800 
1 1 1  -25    6   13 o  138.237   27.436   42.003   16.120   25.432   24.537   54.586   21.381  116.539   42.086  159.935   35.211 -43.39554 54.87296 
1 1 1  -25    6   14 f  233.975   24.587  113.791   21.630   91.233   29.526  139.916   31.775  206.339   38.071  261.611   31.124 -55.27209 49.17454 
1 1 1  -25    6   15 o  415.797   21.205  349.574   34.200  317.379   45.430  391.681   51.956  394.240   29.529  437.353   30.442 -43.11325 42.41068 
1 1 1  -25    6   16 o  424.419   33.207  373.565   42.584  360.074   47.033  434.929  100.308  419.577   28.725  429.261   59.880 -9.684113 66.41338 
1 1 1  -25    6   17 o  409.260   31.608  347.414   50.482   0.0000   0.0000  347.414   50.482  ?   ?   409.260   31.608      ?      ? 
1 1 1  -25    6   18 o  297.954   23.483  186.742   27.131  195.492   37.011  176.578   39.889  306.901   30.903  289.007   35.368 17.89420 46.96678 
1 1 1  -25    6   19 o  126.846   28.491   36.016   16.208   23.707   26.970   42.974   20.278  114.187   43.558  139.506   36.739 -25.31965 56.98296 
1 1 1  -25    6   20 o  422.992   21.805  370.027   35.874  343.482   48.401  402.386   53.440  406.542   30.508  439.441   31.162 -32.89874 43.61026 
1 1 1  -25    6   21 o  197.305   34.730   83.689   24.246  114.121   47.415   72.915   28.213  214.859   55.986  179.751   41.114 35.10852 69.46027 
1 1 1  -25    6   22 o  144.279   27.916   50.188   19.893  -1.1574   33.382   78.461   24.771   98.719   43.727  189.840   34.716 -91.12159 55.83228 
1 1 1  -25    6   23 o  243.221   26.348  122.917   24.390  154.581   40.334  104.665   30.623  265.778   38.888  220.664   35.561 45.11371 52.69643 
1 1 1  -25    7    1 o  161.721   37.401   52.112   18.147   53.273   18.760   35.206   71.574  159.864   31.191  163.577   67.989 -3.712524 74.80218 
1 1 1  -25    7    2 o  204.526   36.918  109.916   23.652  118.275   24.974   37.165   73.677  243.074   26.328  165.979   68.983 77.09517 73.83671 
1 1 1  -25    7    3 o  250.728   39.574  111.138   23.267  104.822   24.284  181.891   81.277  228.603   27.221  272.853   74.319 -44.24983 79.14740 
1 1 1  -25    7    4 o  180.198   33.897   87.083   22.119   97.877   23.379  -5.0497   68.301  220.883   27.122  139.513   62.131 81.37057 67.79311 
1 1 1  -25    7    5 o  106.528   34.375   0.4395   16.746   0.6753   17.353  -2.7551   63.872   76.640   32.745  136.415   60.452 -59.77477 68.75044 
1 1 1  -25    7    6 o  126.891   32.583   32.881   18.513   40.808   19.281 -60.7130   66.250  138.618   35.491  115.163   54.654 23.45441 65.16637 
1 1 1  -25    7    7 o  172.584   40.635   25.761   17.710   18.558   18.234  145.657   74.395  101.367   36.319  243.801   72.703 -142.4341 81.27018 
1 1 1  -25    7    8 o   73.936   23.058   2.3982   9.5869 -32.0090   31.142   6.0002   10.076   79.886   37.783   67.986   26.442 11.89980 46.11599 
1 1 1  -25    7    9 o  246.312   31.605  148.592   26.574   83.509   45.402  182.508   32.775  191.603   56.719  301.021   27.901 -109.4178 63.20997 
1 1 1  -25    7   10 o   97.120   23.945   16.798   12.376  -3.9762   21.260   27.446   15.221   79.775   35.137  114.464   32.538 -34.68919 47.88922 
1 1 1  -25    7   11 o  185.446   24.854   71.872   17.233   80.990   26.162   64.883   22.903  195.805   35.547  175.087   34.747 20.71729 49.70837 
1 1 1  -25    7   12 o  288.556   21.174  169.748   23.725  186.794   33.351  152.285   33.756  303.950   28.118  273.162   31.667 30.78766 42.34850 
1 1 1  -25    7   13 o  260.218   22.852  138.838   23.201  140.383   32.634  137.259   32.992  261.828   31.939  258.608   32.692 3.220490 45.70432 
1 1 1  -25    7   14 o  114.195   26.129   27.131   14.264   9.7405   23.195   37.707   18.089   95.882   39.158  132.508   34.605 -36.62613 52.25761 
1 1 1  -25    7   15 o   70.269   22.509  -1.6445   9.2914  -9.2020   26.088  -0.5467   9.9434   83.647   37.731   56.890   24.554 26.75731 45.01722 
1 1 1  -25    7   16 o  206.992   45.282  107.957   36.064  109.979   39.659   98.292   86.693  219.390   47.684  194.593   76.994 24.79691 90.56360 
1 1 1  -25    7   17 f  326.298   22.210  221.211   28.253  233.152   40.101  209.442   39.811  335.532   30.626  317.064   32.176 18.46780 44.42074 
1 1 1  -25    7   18 o  305.022   23.701  194.776   28.065  189.005   37.610  202.027   42.156  300.883   32.031  309.161   34.942 -8.277679 47.40185 
1 1 1  -25    7   19 o  143.482   28.694   47.530   16.985   35.966   27.606   54.574   21.545  129.319   44.826  157.645   35.834 -28.32596 57.38862 
1 1 1  -25    7   20 o  116.828   28.941   28.260   15.975   25.142   27.051   29.930   19.796  115.691   43.745  117.965   37.906 -2.273674 57.88278 
1 1 1  -25    7   21 o  183.322   36.527   74.154   24.186   97.442   50.169   67.103   27.606  194.807   60.044  171.837   41.611 22.97044 73.05327 
1 1 1  -25    7   22 o   93.051   27.689   5.7501   14.575   18.234   30.730   2.1268   16.556  111.027   45.176   75.075   32.028 35.95229 55.37724 
1 1 1  -25    8    1 o  239.428   40.361   95.820   21.977   89.636   22.794  177.465   82.822  211.214   27.654  267.642   75.837 -56.42766 80.72160 
1 1 1  -25    8    2 f  149.244   42.913   19.953   14.835   18.184   15.035   85.190   91.315   97.458   33.105  201.030   79.185 -103.5722 85.82612 
1 1 1  -25    8    3 o  516.211   28.200  477.625   44.901  435.145   49.239  687.385  109.414  465.559   27.102  566.862   49.461 -101.3036 56.39973 
1 1 1  -25    8    4 o  375.250   30.488  185.172   34.450  130.695   37.075  529.558   93.219  251.782   37.733  498.717   47.898 -246.9355 60.97559 
1 1 1  -25    8    5 o  255.276   42.337  171.676   36.848  189.322   40.991   97.379   84.111  304.295   34.520  206.257   77.317 98.03770 84.67341 
1 1 1  -25    8    6 o  242.630   41.526  111.233   24.946  106.054   26.109  165.519   84.525  229.205   29.190  256.055   77.754 -26.84976 83.05264 
1 1 1  -25    8    7 o  150.695   39.947   38.877   19.278   39.515   19.824   27.773   82.703  136.225   36.537  165.165   71.050 -28.93912 79.89429 
1 1 1  -25    8    8 o  326.487   44.323  243.876   49.270  242.948   57.930  246.302   93.675  339.563   43.717  313.411   77.117 26.15280 88.64674 
1 1 1  -25    8    9 o  291.715   61.993  188.714   34.404  186.666   34.768  284.977  238.385  303.764   29.330  279.666  120.466 24.09744 123.9851 
1 1 1  -25    8   10 o  141.061   42.481   25.066   21.879   25.914   22.409   7.7842  101.123  115.655   40.370  166.467   74.759 -50.81158 84.96281 
1 1 1  -25    8   11 o  135.811   27.117   38.985   14.627   41.647   24.150   37.442   18.383  139.167   41.405  132.454   35.028 6.713242 54.23413 
1 1 1  -25    8   12 o  227.200   48.382   82.563   26.410   74.732   27.238  205.485  107.919  186.120   38.761  268.281   88.660 -82.16075 96.76308 
1 1 1  -25    8   13 o  368.299   21.193  274.327   30.300  251.303   40.409  303.899   45.796  351.072   29.495  385.526   30.440 -34.45490 42.38573 
1 1 1  -25    8   14 f  165.752   27.031   60.734   17.064   53.910   25.961   65.924   22.642  155.930   41.808  175.575   34.276 -19.64508 54.06198 
1 1 1  -25    8   15 o  242.082   85.895  178.423  101.752   0.0000   0.0000  178.423  101.752  ?   ?   242.082   85.895      ?      ? 
1 1 1  -25    8   16 o  280.630   26.426  165.448   27.951  175.676   46.310  159.587   35.056  284.521   41.709  276.739   32.461 7.781586 52.85262 
1 1 1  -25    8   17 o  148.426   25.775   37.601   14.635   84.791   27.765   19.444   17.222  196.823   37.518  100.029   35.354 96.79413 51.55092 
1 1 1  -25    8   18 o  441.204   23.855  411.423   40.242  419.661   52.418  399.599   62.800  450.109   29.842  432.300   37.226 17.80869 47.71075 
1 1 1  -25    8   19 o  184.107   26.856   72.320   18.365   90.049   29.479   61.075   23.478  201.896   38.825  166.317   37.115 35.57823 53.71162 
1 1 1  -25    8   20 o  123.572   33.586   18.617   15.702   57.554   46.529   13.612   16.681  156.838   57.753   90.307   34.302 66.53149 67.17131 
1 1 1  -25    8   21 o  108.096   28.087   22.586   16.096   7.2435   27.461   30.616   19.867   97.494   41.412  118.698   37.956 -21.20381 56.17448 
1 1 1  -25    8   22 o  160.175   30.727   63.219   20.569   38.614   33.876   77.587   25.887  133.263   49.242  187.087   36.769 -53.82404 61.45450 
1 1 1  -25    9    1 o  374.871   48.402  221.850   32.200  209.198   32.959  486.937  150.868  323.011   26.147  426.730   93.206 -103.7186 96.80426 
1 1 1  -25    9    2 o  333.866   60.865  216.293   33.370  210.611   33.877  401.884  193.620  323.867   26.805  343.864  118.742 -19.99707 121.7297 
1 1 1  -25    9    3 o  304.106   44.362  195.804   30.374  192.192   31.777  233.995  103.332  309.522   26.308  298.689   84.734 10.83282 88.72386 
1 1 1  -25    9    4 o  572.360   56.964  724.047  127.234   0.0000   0.0000  724.047  127.234  ?   ?   572.360   56.964      ?      ? 
1 1 1  -25    9    5 o  257.077   43.068  133.030   26.999  128.884   28.254  176.618   91.613  252.766   28.644  261.387   81.235 -8.620895 86.13699 
1 1 1  -25    9    6 o  321.731   41.748  207.982   32.615  200.314   34.526  271.534   99.399  315.266   28.064  328.197   78.640 -12.93060 83.49699 
1 1 1  -25    9    7 o  310.002   46.113  184.887   47.596  143.482   53.909  331.250  101.356  250.822   56.441  369.183   72.939 -118.3617 92.22581 
1 1 1  -25    9    8 o  309.876   44.795  220.346   34.723  219.739   36.921  224.994  102.172  329.735   28.693  290.016   84.872 39.71915 89.59047 
1 1 1  -25    9    9 o  245.337   53.802  140.187   30.733  141.078   31.102  103.310  200.108  263.547   30.242  227.128  103.267 36.41864 107.6038 
1 1 1  -25    9   10 o  191.359   46.966   61.396   24.630   57.649   25.361  123.636  103.358  162.850   40.159  219.867   84.915 -57.01711 93.93255 
1 1 1  -25    9   11 o  145.221   39.454   42.035   23.473   48.230   24.068 -78.6037  106.206  148.783   40.408  141.660   67.776 7.122681 78.90785 
1 1 1  -25    9   12 o  217.201   41.166  139.383   31.534  151.307   32.613 -31.9063  123.603  271.863   30.740  162.538   76.377 109.3254 82.33109 
1 1 1  -25    9   13 o  142.559   43.322   26.878   22.234   27.236   22.708   18.569  109.464  116.619   40.642  168.499   76.520 -51.88024 86.64377 
1 1 1  -25    9   14 o  108.786   36.759   1.6334   19.738   5.5585   20.082 -109.8296  107.018   85.999   35.902  131.573   64.156 -45.57349 73.51809 
1 1 1  -25    9   15 o  320.217   32.703  213.786   40.866   0.0000   0.0000  213.786   40.866  ?   ?   320.217   32.703      ?      ? 
1 1 1  -25    9   16 o  411.339   21.777  351.186   34.943  362.975   49.511  339.486   49.324  418.606   30.309  404.072   31.280 14.53391 43.55498 
1 1 1  -25    9   17 o  191.043   25.667   76.214   17.956   95.249   29.864   65.436   22.472  208.346   38.136  173.740   34.362 34.60593 51.33343 
1 1 1  -25    9   18 o  236.879   24.292  118.036   22.394  124.878   33.197  112.324   30.335  242.790   35.038  230.969   33.656 11.82159 48.58347 
1 1 1  -25    9   19 o  139.047   33.834   42.846   19.261   27.373   50.427   45.488   20.841  134.899   56.642  143.196   37.023 -8.296906 67.66872 
1 1 1  -25    9   20 o  281.203   25.227  167.292   27.408  138.177   37.096  202.290   40.672  253.196   37.544  309.210   33.707 -56.01411 50.45474 
1 1 1  -25    9   21 o  127.857   29.551   32.090   16.110   51.397   29.037   23.504   19.364  148.511   45.665  107.202   37.521 41.30882 59.10265 
1 1 1  -25   10    1 o  268.288   44.926  152.327   27.567  149.699   28.654  185.015  101.054  272.908   26.905  263.667   85.729 9.241425 89.85236 
1 1 1  -25   10    2 o  240.464   43.839  146.927   27.434  150.966   28.435   92.593  104.294  274.144   26.579  206.784   83.553 67.36060 87.67847 
1 1 1  -25   10    3 o  193.281   46.152   69.744   25.181   68.207   25.936   94.992  105.138  178.520   38.372  208.042   83.950 -29.52296 92.30403 
1 1 1  -25   10    4 o  218.087   47.633   39.806   18.370   33.698   18.623  259.788  111.765  126.225   36.029  309.949   88.191 -183.7238 95.26682 
1 1 1  -25   10    5 o  402.491   67.777  356.847   44.095  348.774   44.848  591.194  241.627  416.027   27.624  388.954  132.709 27.07339 135.5535 
1 1 1  -25   10    6 o  165.323   55.721  -6.5089   41.985 -11.8951   43.128   91.108  183.602  108.168   48.678  222.479  100.249 -114.3112 111.4426 
1 1 1  -25   10    7 o  408.160   37.032  263.790   37.412  238.113   39.188  527.948  125.695  342.822   29.292  473.500   68.024 -130.6779 74.06326 
1 1 1  -25   10    8 o  267.779   58.419  153.503   31.402  151.600   31.760  236.354  209.564  273.212   29.789  262.346  112.977 10.86600 116.8385 
1 1 1  -25   10    9 o  322.690   48.294  262.308   39.318  265.887   41.779  234.585  116.274  361.638   29.604  283.742   91.939 77.89575 96.58727 
1 1 1  -25   10   10 o  242.134   41.025  186.375   34.476  205.296   36.138  -5.3116  115.023  317.665   29.152  166.603   76.698 151.0627 82.05095 
1 1 1  -25   10   11 o  291.766   48.231  175.924   33.157  168.116   34.594  264.064  116.230  286.319   30.961  297.213   91.358 -10.89383 96.46164 
1 1 1  -25   10   12 o  279.178   47.733  235.843   38.394  246.028   40.076  122.144  133.907  346.508   29.638  211.848   90.749 134.6602 95.46643 
1 1 1  -25   10   13 o  210.653   46.486   85.429   26.927   79.538   27.977  159.479   99.194  190.533   38.942  230.772   84.423 -40.23848 92.97175 
1 1 1  -25   10   14 f  122.171   40.496   7.8240   20.498   8.6233   20.879 -13.4956  107.828   90.411   37.063  153.931   72.013 -63.51967 80.99120 
1 1 1  -25   10   15 o  187.784   75.253   92.153   83.849   0.0000   0.0000   92.153   83.849  ?   ?   187.784   75.253      ?      ? 
1 1 1  -25   10   16 o   99.314   33.945 -13.1112   20.446 -11.7138   21.279 -29.9071   73.774   72.392   33.202  126.236   59.219 -53.84396 67.89095 
1 1 1  -25   10   17 o  161.853   43.198   11.822   23.369  -1.5610   24.354  167.433   83.043   85.811   37.706  237.895   77.733 -152.0841 86.39542 
1 1 1  -25   10   18 o  196.678   36.600  117.807   31.319  137.322   33.342 -28.4981   91.294  255.322   33.464  138.034   65.102 117.2880 73.19917 
1 1 1  -25   10   19 f  166.272   36.689   41.159   19.170  119.568   55.343   30.469   20.435  213.781   62.436  118.763   38.549 95.01861 73.37722 
1 1 1  -25   10   20 o   91.408   24.973   12.925   13.302  -6.2589   24.130   21.300   15.943   81.253   36.502  101.564   34.092 -20.31128 49.94666 
1 1 1  -25   11    1 o  175.824   53.890   23.936   15.648   22.553   15.721  171.345  162.344  105.526   33.767  246.122  102.355 -140.5959 107.7805 
1 1 1  -25   11    2 o  193.249   45.370   71.602   25.769   69.695   26.706   97.388   98.190  179.994   39.136  206.505   81.866 -26.51129 90.73960 
1 1 1  -25   11    3 o  220.467   51.917   99.375   25.495   99.750   25.741   80.027  184.858  221.805   29.739  219.129   99.485 2.675430 103.8345 
1 1 1  -25   11    4 o  256.228   51.593  167.058   50.407  171.749   57.366  151.166  105.585  274.968   55.377  237.489   87.067 37.47867 103.1857 
1 1 1  -25   11    5 o  173.048   50.212   3.5414   42.990 -25.9956   46.925  157.813  107.243  105.474   48.710  240.622   87.819 -135.1474 100.4234 
1 1 1  -25   11    6 o  330.252   44.264  153.830   30.125  137.642   31.031  418.994  125.591  259.985   30.586  400.519   83.078 -140.5348 88.52883 
1 1 1  -25   11    7 o  354.384   62.912  364.910   46.735  365.579   47.597  346.915  246.728  424.506   28.732  284.263  122.501 140.2433 125.8248 
1 1 1  -25   11    8 o  308.251   53.317  227.941   37.404  225.290   38.713  265.174  145.084  332.488   29.837  284.015  102.374 48.47256 106.6331 
1 1 1  -25   11    9 o  143.709   48.193   20.318   19.718   21.566   19.804 -122.6221  211.964  106.576   37.885  180.842   88.629 -74.26605 96.38638 
1 1 1  -25   11   10 o  257.513   52.593  185.059   35.069  187.712   35.501   77.909  225.658  302.684   30.055  212.342  100.800 90.34149 105.1857 
1 1 1  -25   11   11 o  268.773   54.032  199.922   37.156  200.979   37.762  167.773  208.247  312.250   30.990  225.297  103.526 86.95311 108.0648 
1 1 1  -25   11   12 o  299.843   44.477  316.313   44.808  351.536   47.834   64.038  128.014  413.332   29.656  186.354   83.865 226.9774 88.95354 
1 1 1  -25   11   13 o  279.988   46.455  215.481   36.913  220.795   39.272  175.180  108.152  326.459   30.826  233.516   87.646 92.94286 92.90911 
1 1 1  -25   11   14 o  241.328   43.139  137.674   34.791  132.701   38.586  159.292   80.450  247.833   39.897  234.823   76.499 13.00951 86.27763 
1 1 1  -25   11   15 o  147.828   43.614   28.638   46.347   73.496   59.697 -39.4267   73.535  172.782   65.065  122.875   58.098 49.90669 87.22808 
1 1 1  -25   11   16 o  235.940   41.489  153.723   37.411  171.013   42.869   98.497   76.617  281.482   39.027  190.398   73.227 91.08405 82.97796 
1 1 1  -25   11   17 o  120.578   37.479   12.916   22.864   12.252   24.172   18.555   70.452   98.434   40.061  142.722   63.356 -44.28748 74.95888 
1 1 1  -25   11   18 o  270.635   44.920  192.325   51.785  293.569   74.870   99.464   71.704  351.397   54.598  189.874   71.346 161.5238 89.83978 
1 1 1  -25   11   19 o  225.100   50.107  132.947   34.068  132.378   34.720  147.664  176.561  248.551   35.796  201.649   93.603 46.90161 100.2143 
1 1 1  -25   12    1 o  237.112   34.504  115.834   31.927  115.834   31.927   0.0000   0.0000  237.112   34.504  ?   ?       ?      ? 
1 1 1  -25   12    2 o  356.872   65.116  325.633   43.652  321.976   44.388  433.151  240.677  398.622   28.535  315.123  127.067 83.49878 130.2312 
1 1 1  -25   12    3 o  226.270   62.321  109.006   52.500  103.781   54.338  182.351  203.580  208.462   62.128  244.077  108.054 -35.61499 124.6419 
1 1 1  -25   12    4 o  214.352   52.286   95.840   28.256   96.630   28.538   56.421  201.626  216.620   33.759  212.085   98.973 4.534760 104.5717 
1 1 1  -25   12    5 o  170.691   55.714   22.698   18.241   21.477   18.320  163.617  196.806  105.310   36.516  236.073  105.276 -130.7631 111.4287 
1 1 1  -25   12    6 o  141.151   44.270   28.537   19.226   31.241   19.309 -285.6132  208.123  121.519   37.216  160.782   80.338 -39.26343 88.53987 
1 1 1  -25   12    7 o  245.308   58.439  123.901   32.105  121.655   32.431  233.867  226.963  242.246   34.306  248.370  111.730 -6.123566 116.8785 
1 1 1  -25   12    8 o  251.443   54.490  156.919   32.112  157.026   32.460  152.031  219.745  276.818   30.048  226.067  104.756 50.75168 108.9802 
1 1 1  -25   12    9 o  298.953   60.647  224.292   38.650  220.478   39.212  354.597  229.192  327.273   30.703  270.633  117.343 56.63922 121.2930 
1 1 1  -25   12   10 o  219.690   53.790   95.547   27.746   93.512   28.055  186.379  187.399  211.585   33.978  227.795  102.073 -16.20976 107.5793 
1 1 1  -25   12   11 o  170.276   53.561   30.425   22.565   27.794   22.764  179.318  171.244  116.731   40.691  223.821   99.094 -107.0900 107.1230 
1 1 1  -25   12   12 o  317.747   31.271  209.748   38.775  209.748   38.775   0.0000   0.0000  317.747   31.271  ?   ?       ?      ? 
1 1 1  -25   12   13 o  223.940   54.892  101.069   32.928   94.567   33.684  241.100  156.318  204.426   43.556  243.455  100.774 -39.02965 109.7839 
1 1 1  -25   12   14 o  229.411   41.888  171.778   34.155  183.637   35.049 -51.8908  152.212  297.547   30.185  161.275   78.150 136.2724 83.77633 
1 1 1  -25   12   15 o   98.074   33.105  -4.6093   19.170  -0.3714   19.775 -70.6944   78.091   78.911   34.341  117.237   56.607 -38.32601 66.20963 
1 1 1  -25   12   16 o  151.740   42.524   18.403   23.214   7.9926   24.298  127.323   78.594   94.249   39.430  209.232   75.356 -114.9829 85.04895 
1 1 1  -25   12   17 o  126.690   41.185 -11.9676   47.207   8.6120   64.923 -35.0542   68.764  133.889   60.031  119.491   56.400 14.39816 82.36913 
1 1 1  -25   12   18 o  219.817   46.637  138.599   34.317  142.100   35.036   55.832  170.342  258.167   34.776  181.467   86.548 76.70024 93.27351 
1 1 1  -25   13    1 o  255.973   50.026  177.553   53.805  208.499   67.032  121.502   90.213  297.157   59.874  214.789   80.160 82.36781 100.0521 
1 1 1  -25   13    2 o  262.393   50.818  178.419   52.950  183.163   66.801  170.400   86.851  274.678   63.577  250.107   79.295 24.57138 101.6352 
1 1 1  -25   13    3 o  167.843   51.126   40.295   21.235   40.607   21.352   12.079  203.161  136.802   38.416  198.883   94.762 -62.08073 102.2526 
1 1 1  -25   13    4 o  163.514   50.092   37.324   19.428   37.681   19.519  -0.4796  200.757  132.059   36.606  194.969   93.256 -62.90935 100.1831 
1 1 1  -25   13    5 f  145.199   48.550   21.051   17.699   21.625   17.765 -55.8050  205.570  104.671   35.977  185.727   90.189 -81.05558 97.09978 
1 1 1  -25   13    6 o  216.053   56.307   93.507   30.112   92.240   30.376  165.416  228.848  205.807   39.255  226.298  105.551 -20.49156 112.6139 
1 1 1  -25   13    7 o  170.614   50.492   49.356   23.138   50.301   23.254 -44.3445  231.578  151.026   39.137  190.201   93.093 -39.17496 100.9850 
1 1 1  -25   13    8 o  215.244   53.375   98.797   27.750   98.499   27.947  119.683  234.214  217.525   32.923  212.962  101.546 4.563599 106.7498 
1 1 1  -25   13    9 o  233.170   56.313  113.238   29.341  110.827   29.603  247.381  220.796  230.491   32.912  235.848  107.711 -5.356583 112.6266 
1 1 1  -25   13   10 o  312.015   31.152  202.093   37.932  202.093   37.932   0.0000   0.0000  312.015   31.152  ?   ?       ?      ? 
1 1 1  -25   13   11 o  374.276   32.286  292.574   47.156  292.574   47.156   0.0000   0.0000  374.276   32.286  ?   ?       ?      ? 
1 1 1  -25   13   12 o  149.370   47.596   27.064   22.108   26.458   22.340   55.842  153.911  114.149   40.274  184.592   86.253 -70.44273 95.19245 
1 1 1  -25   13   13 o  146.857   44.760   35.260   23.975   37.093   24.279 -36.4297  151.829  129.906   42.004  163.809   79.054 -33.90324 89.52007 
1 1 1  -25   13   14 o  250.419   50.557  175.771   36.017  176.608   36.833  157.521  172.035  290.265   32.517  210.574   95.744 79.69044 101.1149 
1 1 1  -25   13   15 o  176.359   42.328   68.720   26.671   66.383   28.320   87.055   79.328  170.576   42.655  182.142   73.124 -11.56554 84.65587 
1 1 1  -25   13   16 o  154.766   47.049   39.787   52.379   67.230   72.550   9.9094   75.701  168.431   69.073  141.100   63.902 27.33154 94.09827 
1 1 1  -25   13   17 o  293.761   48.788  316.643   47.422  329.108   48.754   97.875  204.245  395.756   31.568  191.765   92.328 203.9908 97.57597 
1 1 1  -25   14    1 o  153.068   45.228   38.627   19.265   40.104   19.379 -86.0049  178.032  135.802   35.989  170.333   82.988 -34.53094 90.45569 
1 1 1  -25   14    2 o  151.514   51.303   15.099   15.884   14.263   15.947  120.428  179.017   90.986   33.752  212.042   96.896 -121.0566 102.6064 
1 1 1  -25   14    3 o  151.643   49.387   25.374   19.429   25.362   19.534   26.465  187.451  111.496   37.735  191.789   91.283 -80.29276 98.77497 
1 1 1  -25   14    4 o  106.447   41.075  -7.1414   12.156  -6.2976   12.180 -216.4706  191.836   56.280   25.546  156.613   78.078 -100.3324 82.15083 
1 1 1  -25   14    5 o  164.549   51.048   37.482   21.151   37.206   21.272   61.745  199.307  130.503   38.867  198.595   94.408 -68.09129 102.0952 
1 1 1  -25   14    6 o  185.922   48.229   73.802   24.045   75.112   24.205 -24.3271  209.548  186.895   34.458  184.948   90.093 1.946716 96.45724 
1 1 1  -25   14    7 o  203.137   47.524  103.339   29.168  106.276   29.431 -58.7823  218.685  225.306   33.474  180.969   88.959 44.33780 95.04810 
1 1 1  -25   14    8 o  158.405   47.008   44.488   21.940   46.204   22.044 -136.3286  226.262  144.326   38.448  172.484   85.796 -28.15842 94.01698 
1 1 1  -25   14    9 o  121.787   39.631   31.892   21.594   31.892   21.594   0.0000   0.0000  121.787   39.631  ?   ?       ?      ? 
1 1 1  -25   14   10 o  236.983   49.311  168.443   35.541  172.394   35.826 -76.5998  282.169  287.321   31.952  186.645   93.303 100.6763 98.62298 
1 1 1  -25   14   11 o  164.533   54.292   31.669   22.234   30.703   22.325  149.579  246.588  120.128   40.342  208.937  100.811 -88.80837 108.5831 
1 1 1  -25   14   12 o  316.985   63.157  292.853   52.457  284.509   53.562  488.769  259.540  364.181   37.688  269.790  120.561 94.39142 126.3143 
1 1 1  -25   14   13 o  242.680   52.685  151.255   33.386  149.856   33.884  197.817  195.471  267.295   32.484  218.064  100.239 49.23083 105.3709 
1 1 1  -25   14   14 o  135.070   47.459   3.1299   20.006   1.9494   20.161   79.325  161.975   81.722   35.115  188.418   88.183 -106.6957 94.91788 
1 1 1  -25   14   15 f  192.848   56.147  112.603   72.844  141.367   80.742 -13.2332  168.877  216.217   76.536  169.478   82.171 46.73914 112.2935 
1 1 1  -25   14   16 o  106.504   41.047 -24.7586   16.860 -24.3449   16.948 -63.9428  164.950   54.599   26.365  158.410   77.745 -103.8105 82.09431 
1 1 1  -25   15    1 o  204.759   43.238  121.247   31.043  128.756   31.423 -183.3163  200.128  248.532   32.400  160.987   80.177 87.54459 86.47548 
1 1 1  -25   15    2 o  225.008   53.840  110.718   29.785  109.021   30.106  189.008  204.456  227.998   33.837  222.018  102.226 5.980637 107.6806 
1 1 1  -25   15    3 o  211.205   45.629  121.071   28.605  124.753   28.930 -39.9892  191.337  245.598   30.185  176.813   86.121 68.78444 91.25755 
1 1 1  -25   15    4 o  160.469   49.363   36.498   20.897   36.080   21.044   66.125  177.234  128.333   38.758  192.606   90.800 -64.27390 98.72594 
1 1 1  -25   15    5 o  271.649   51.139  231.656   40.231  235.933   41.030  125.067  204.811  336.886   31.209  206.413   97.400 130.4728 102.2782 
1 1 1  -25   15    6 o  178.490   52.038   53.502   23.943   52.572   24.118  116.868  199.134  153.232   39.929  203.747   96.111 -50.51558 104.0758 
1 1 1  -25   15    7 o  148.096   51.611   13.943   17.965   13.111   18.033  123.320  206.775   91.573   35.440  204.618   96.947 -113.0449 103.2216 
1 1 1  -25   15    8 o   72.191   30.662   1.9876   15.053   1.9876   15.053   0.0000   0.0000   72.191   30.662  ?   ?       ?      ? 
1 1 1  -25   15    9 o  202.085   51.446   93.621   29.085   93.938   29.315   73.743  232.243  207.062   37.667  197.107   95.749 9.954849 102.8914 
1 1 1  -25   15   10 o  119.270   47.371 -13.2034   13.080 -13.2345   13.101  -3.5434  230.893   52.451   24.715  186.090   91.462 -133.6389 94.74262 
1 1 1  -25   15   11 o  245.463   37.274  129.156   35.705  129.156   35.705   0.0000   0.0000  245.463   37.274  ?   ?       ?      ? 
1 1 1  -25   15   12 o  179.751   49.354   66.754   26.258   67.147   26.488   44.455  199.524  172.836   40.055  186.666   90.216 -13.83025 98.70818 
1 1 1  -25   15   13 o  196.465   47.362   98.439   30.244  100.481   30.669   26.173  182.438  213.354   38.240  179.576   86.662 33.77737 94.72329 
1 1 1  -25   15   14 o  135.299   47.291 -81.2103   67.321 -101.0775   75.807  -7.0825  146.432  106.777   52.465  163.822   78.697 -57.04556 94.58205 
1 1 1  -25   15   15 o  241.306   50.441  169.593   38.597  169.800   39.488  165.168  182.783  280.719   36.046  201.894   94.223 78.82455 100.8823 
1 1 1  -25   16    1 f  295.339   50.568  293.480   42.799  301.619   43.961  145.602  187.393  381.910   29.497  208.769   96.739 173.1409 101.1363 
1 1 1  -25   16    2 o  206.723   51.729   87.403   25.503   86.297   25.715  153.720  199.135  203.070   32.450  210.375   98.236 -7.304016 103.4571 
1 1 1  -25   16    3 o  177.464   50.921   53.450   21.650   52.870   21.777  102.840  201.113  154.844   36.614  200.083   95.033 -45.23886 101.8426 
1 1 1  -25   16    4 o  296.962   57.815  255.706   41.635  253.117   42.323  333.395  231.850  348.687   31.103  245.238  111.367 103.4486 115.6292 
1 1 1  -25   16    5 o  155.301   47.750   37.275   20.413   37.832   20.520 -15.6167  199.906  130.910   37.957  179.692   87.634 -48.78255 95.50063 
1 1 1  -25   16    6 o   73.762   31.061   2.9934   15.234   2.9934   15.234   0.0000   0.0000   73.762   31.061  ?   ?       ?      ? 
1 1 1  -25   16    7 o  209.644   49.404  108.805   30.669  110.018   31.003   53.506  209.345  227.955   34.852  191.334   92.457 36.62030 98.80751 
1 1 1  -25   16    8 o  221.454   51.491  117.906   30.737  117.190   31.107  147.431  199.820  235.739   33.814  207.170   97.273 28.56955 102.9826 
1 1 1  -25   16    9 o  166.259   50.684   41.901   23.123   40.853   23.309  106.561  183.150  135.197   40.782  197.321   92.802 -62.12450 101.3674 
1 1 1  -25   16   10 o  141.756   43.849   31.390   20.124   32.950   20.266 -78.7775  170.316  122.722   38.219  160.791   78.932 -38.06923 87.69762 
1 1 1  -25   16   11 o  163.014   39.428   59.809   24.808   59.809   24.808   0.0000   0.0000  163.014   39.428  ?   ?       ?      ? 
1 1 1  -25   16   12 o  207.236   64.047  127.527   83.175   91.221   93.524  264.872  181.904  182.600   76.929  231.871  102.421 -49.27075 128.0941 
1 1 1  -25   16   13 o  170.230   56.085   45.765   78.723   35.723   88.772   82.743  170.343  155.713   69.979  184.747   87.665 -29.03386 112.1703 
1 1 1  -25   17    1 o  171.686   53.669   43.924   65.652   10.835   79.128  117.029  117.614  144.634   65.433  198.738   85.089 -54.10466 107.3387 
1 1 1  -25   17    2 o  171.416   42.748   67.944   23.708   70.446   24.073 -12.7872  136.721  179.683   35.590  163.150   77.737 16.53236 85.49625 
1 1 1  -25   17    3 o  161.357   43.743   56.716   24.328   60.035   24.567 -111.4860  174.902  163.963   38.968  158.752   78.329 5.210678 87.48672 
1 1 1  -25   17    4 o  141.004   38.042   44.257   21.416   44.257   21.416   0.0000   0.0000  141.004   38.042  ?   ?       ?      ? 
1 1 1  -25   17    5 o   79.543   32.486   6.5591   15.965   6.5591   15.965   0.0000   0.0000   79.543   32.486  ?   ?       ?      ? 
1 1 1  -25   17    6 o  287.325   56.811  231.281   41.526  227.512   42.402  319.740  205.420  328.780   33.048  245.870  108.710 82.90939 113.6223 
1 1 1  -25   17    7 o  171.689   50.261   45.113   22.429   43.011   22.667  143.953  155.439  138.456   39.820  204.921   92.298 -66.46469 100.5215 
1 1 1  -25   17    8 o  170.000   43.011   70.658   27.000   74.871   27.468 -49.9289  146.941  182.747   39.655  157.252   76.336 25.49548 86.02135 
1 1 1  -25   17    9 o  137.225   42.777   28.378   20.917   30.023   21.130 -51.8019  147.500  118.120   39.241  156.330   76.025 -38.21000 85.55463 
1 1 1  -25   17   10 o  147.832   43.136   41.526   22.470   43.651   22.713 -56.0163  153.902  138.958   39.830  156.706   76.527 -17.74759 86.27166 
1 1 1  -25   17   11 o  162.609   73.900   43.365  102.338   43.365  102.338   0.0000   0.0000  162.609   73.900  ?   ?       ?      ? 
1 1 1  -25   18    1 o  167.938   53.944   32.609   59.261   12.128   65.245  129.163  141.662  135.705   60.559  200.172   89.288 -64.46756 107.8874 
1 1 1  -25   18    2 o  317.355   65.673  262.401   78.651  262.401   78.651   0.0000   0.0000  317.355   65.673  ?   ?       ?      ? 
1 1 1  -25   18    3 o  256.320   70.759  182.914   73.101  182.914   73.101   0.0000   0.0000  256.320   70.759  ?   ?       ?      ? 
1 1 1  -25   18    4 f  171.126   47.778   57.209   25.142   56.846   25.473   70.909  156.498  158.129   40.954  184.123   86.334 -25.99420 95.55546 
1 1 1  -25   18    5 o  159.683   51.008   19.717   20.522   16.150   20.728  196.108  145.771   98.426   38.023  220.940   94.665 -122.5137 102.0161 
1 1 1  -25   18    6 o  237.384   43.195  189.453   38.144  202.093   39.294 -17.1485  158.860  309.488   32.535  165.279   80.029 144.2089 86.38941 
1 1 1  -25   18    7 o  155.876   74.826 -20.2066  131.863   0.0000   0.0000 -20.2066  131.863  ?   ?   155.876   74.826      ?      ? 
1 1 1  -25   18    8 o  178.896   54.151   19.293   18.699   14.594   18.847  314.690  149.439   93.927   36.265  263.866  102.049 -169.9390 108.3015 
1 1 1  -25   19    1 o  280.048   71.687   68.349   55.071   19.569   56.583  944.859  239.852  132.324   57.826  427.772  131.196 -295.4479 143.3741 
1 1 1  -25   19    2 o  139.885   46.942   11.135   42.547   16.291   43.909 -68.1331  172.162  120.940   51.891  158.829   78.241 -37.88887 93.88450 
1 1 1  -24    0    1 o   56.026   23.068   7.5013   11.777   7.5013   11.777   7.5013   11.777   56.026   32.623   56.026   32.623 -0.000000 0.000000 
1 1 1  -24    0    2 o   89.151   26.442   22.142   13.068   22.142   13.068   22.142   13.068   89.151   37.395   89.151   37.395 -0.000000 0.000000 
1 1 1  -24    0    3 o  245.514   18.223  122.333   24.068  122.333   24.068  122.333   24.068  245.514   25.771  245.514   25.771 -0.000000 0.000000 
1 1 1  -24    0    4 o   68.593   24.792   13.650   11.859   13.650   11.859   13.650   11.859   68.593   35.061   68.593   35.061 -0.000000 0.000000 
1 1 1  -24    0    5 o  284.593   18.003  163.038   27.756  163.038   27.756  163.038   27.756  284.593   25.460  284.593   25.460 0.000000 0.000000 
1 1 1  -24    0    6 o  105.682   28.160   29.819   15.372   29.819   15.372   29.819   15.372  105.682   39.825  105.682   39.825 -0.000000 0.000000 
1 1 1  -24    0    7 o  200.861   21.146   84.635   21.911   84.635   21.911   84.635   21.911  200.861   29.905  200.861   29.905 0.000000 0.000000 
1 1 1  -24    0    8 o  452.832   27.853  417.853   68.397  417.853   68.397  417.853   68.397  452.832   39.391  452.832   39.391 -0.000000 0.000000 
1 1 1  -24    0    9 o  118.402   29.490   36.520   17.494   36.520   17.494   36.520   17.494  118.402   41.706  118.402   41.706 -0.000000 0.000000 
1 1 1  -24    0   10 o  127.883   31.033   42.272   19.689   42.272   19.689   42.272   19.689  127.883   43.888  127.883   43.888 -0.000000 0.000000 
1 1 1  -24    0   11 o  592.450   20.340  699.521   66.146  699.521   66.146  699.521   66.146  592.450   28.765  592.450   28.765 -0.000000 0.000000 
1 1 1  -24    0   13 o  439.061   20.014  386.558   48.034  386.558   48.034  386.558   48.034  439.061   28.304  439.061   28.304 0.000000 0.000000 
1 1 1  -24    0   14 o   59.943   25.813   6.7687   16.044   6.7687   16.044   6.7687   16.044   59.943   36.505   59.943   36.505 -0.000000 0.000000 
1 1 1  -24    0   15 o  349.698   20.002  247.103   38.021  247.103   38.021  247.103   38.021  349.698   28.287  349.698   28.287 -0.000000 0.000000 
1 1 1  -24    0   16 o   54.194   24.559   1.3021   16.598   1.3021   16.598   1.3021   16.598   54.194   34.732   54.194   34.732 0.000000 0.000000 
1 1 1  -24    0   17 o  356.349   20.687  257.478   40.052  257.478   40.052  257.478   40.052  356.349   29.255  356.349   29.255 0.000000 0.000000 
1 1 1  -24    0   18 o  406.214   20.663  333.658   45.771  333.658   45.771  333.658   45.771  406.214   29.221  406.214   29.221 0.000000 0.000000 
1 1 1  -24    0   19 o  110.921   45.766   36.094   46.508   36.094   46.508   36.094   46.508  110.921   64.723  110.921   64.723 0.000000 0.000000 
1 1 1  -24    0   20 o   76.007   30.560   16.126   19.953   16.126   19.953   16.126   19.953   76.007   43.218   76.007   43.218 0.000000 0.000000 
1 1 1  -24    0   21 o  343.916   21.786  243.294   40.587  243.294   40.587  243.294   40.587  343.916   30.810  343.916   30.810 -0.000000 0.000000 
1 1 1  -24    0   22 o   77.571   31.650   16.591   21.863   16.591   21.863   16.591   21.863   77.571   44.760   77.571   44.760 0.000000 0.000000 
1 1 1  -24    0   23 o  483.628   28.292  490.530   74.325  490.530   74.325  490.530   74.325  483.628   40.011  483.628   40.011 -0.000000 0.000000 
1 1 1  -24    0   24 o  363.511   22.479  272.858   44.304  272.858   44.304  272.858   44.304  363.511   31.791  363.511   31.791 -0.000000 0.000000 
1 1 1  -24    0   25 o   43.243   21.290 -15.4236   18.196 -15.4236   18.196 -15.4236   18.196   43.243   30.109   43.243   30.109 0.000000 0.000000 
1 1 1  -24    1    1 o  142.383   23.268   42.746   12.631   47.309   16.756   36.740   19.223  151.757   29.356  133.010   36.107 18.74661 46.53524 
1 1 1  -24    1    2 o  123.867   21.169   31.782   10.152   27.840   14.343   35.739   14.371  116.132   31.049  131.603   28.783 -15.47097 42.33810 
1 1 1  -24    1    3 o  286.616   17.595  162.387   19.638  148.119   27.228  177.854   28.351  273.409   25.520  299.824   24.231 -26.41464 35.19075 
1 1 1  -24    1    4 o  268.491   17.946  142.796   18.798  138.763   26.249  147.042   26.932  264.595   25.421  272.388   25.337 -7.792511 35.89121 
1 1 1  -24    1    5 o  298.591   17.875  176.850   20.792  190.111   29.590  163.918   29.222  309.801   24.476  287.382   26.057 22.41898 35.74933 
1 1 1  -24    1    6 o  247.361   18.542  121.666   17.824  135.975   25.466  107.923   24.956  261.846   24.922  232.875   27.462 28.97137 37.08395 
1 1 1  -24    1    7 o  140.785   27.726   46.334   16.006   56.071   18.321   14.949   32.893  165.217   29.498  116.353   46.955 48.86436 55.45150 
1 1 1  -24    1    8 o  314.046   28.259  202.204   34.447  223.272   48.426  180.627   49.009  331.531   37.430  296.560   42.348 34.97098 56.51888 
1 1 1  -24    1    9 o  211.006   20.362   89.116   16.754   93.641   23.840   84.701   23.551  216.401   28.230  205.610   29.351 10.79070 40.72374 
1 1 1  -24    1   10 o  272.245   19.815  148.208   21.040  142.243   29.201  154.646   30.340  266.543   28.074  277.947   27.972 -11.40369 39.63061 
1 1 1  -24    1   11 o  336.080   18.898  225.858   24.781  221.022   34.701  230.891   35.402  332.402   26.751  339.758   26.701 -7.356079 37.79616 
1 1 1  -24    1   12 o   82.143   34.548   2.9901   18.810   2.9901   18.810   0.0000   0.0000   82.143   34.548  ?   ?       ?      ? 
1 1 1  -24    1   13 o  264.535   22.822  142.172   23.120  142.576   30.016  141.582   36.254  266.017   28.914  263.054   35.317 2.963074 45.64322 
1 1 1  -24    1   14 o  348.489   19.324  244.020   26.274  239.099   36.740  249.172   37.590  344.906   27.296  352.073   27.359 -7.166901 38.64750 
1 1 1  -24    1   15 o  180.452   27.291   70.103   18.229   67.183   29.406   71.925   23.232  175.613   43.205  185.291   33.355 -9.677994 54.58262 
1 1 1  -24    1   16 o  141.962   26.769   43.016   15.165   49.480   21.937   37.100   20.989  151.869   37.289  132.056   38.416 19.81345 53.53738 
1 1 1  -24    1   17 o  217.698   23.777   99.008   19.171  128.546   27.792   72.195   26.479  252.067   28.254  183.329   38.249 68.73782 47.55299 
1 1 1  -24    1   18 o  497.044   20.234  501.897   39.246  503.633   55.384  500.146   55.621  497.986   28.499  496.101   28.730 1.885132 40.46772 
1 1 1  -24    1   19 o  120.497   35.971   12.492   28.873   3.8695   38.380   23.735   43.825  110.495   47.964  130.498   53.620 -20.00262 71.94189 
1 1 1  -24    1   20 o  280.904   21.314  162.532   23.341  172.439   33.402  153.078   32.631  289.551   29.561  272.257   30.713 17.29318 42.62755 
1 1 1  -24    1   21 o  202.504   26.979   92.140   20.533   47.562   28.656  139.175   29.435  145.110   45.488  259.897   29.022 -114.7867 53.95755 
1 1 1  -24    1   22 o  197.839   27.042   84.854   20.435   98.207   29.851   73.078   28.033  215.160   35.552  180.518   40.758 34.64153 54.08493 
1 1 1  -24    1   23 o  101.748   28.473   14.227   16.634   23.748   26.128   7.7383   21.570  113.385   42.963   90.110   37.378 23.27509 56.94639 
1 1 1  -24    1   24 f  121.254   28.536   30.479   17.126   11.439   25.390   46.374   23.198   98.982   40.758  143.527   39.950 -44.54481 57.07249 
1 1 1  -24    1   25 o  192.211   27.575   79.672   20.691  132.368   31.651   40.347   27.342  250.486   32.379  133.936   44.644 116.5503 55.14983 
1 1 1  -24    2    1 o  184.337   21.853   70.996   14.773   79.361   19.274   59.085   23.001  200.244   24.665  168.430   36.081 31.81425 43.70564 
1 1 1  -24    2    2 o  172.677   19.607   59.095   13.195   55.585   18.161   63.020   19.204  167.248   27.825  178.105   27.631 -10.85670 39.21361 
1 1 1  -24    2    3 o  167.210   21.114   56.773   13.081   32.579   17.634   86.377   19.506  125.464   34.798  208.956   23.921 -83.49224 42.22718 
1 1 1  -24    2    4 o  228.439   17.619  103.495   15.691  106.945   21.977   99.908   22.410  232.420   24.231  224.458   25.584 7.962509 35.23754 
1 1 1  -24    2    5 o  387.420   17.891  297.730   27.044  299.285   37.920  296.120   38.579  388.522   25.010  386.318   25.590 2.204285 35.78249 
1 1 1  -24    2    6 o  113.397   22.176   26.505   10.130   27.326   14.791   25.779   13.902  115.015   31.859  111.780   30.857 3.234314 44.35289 
1 1 1  -24    2    7 o  161.390   28.954   60.628   17.418   68.982   19.793   31.939   36.677  186.084   27.256  136.695   51.093 49.38834 57.90817 
1 1 1  -24    2    8 o  313.952   23.758  206.013   27.119  176.581   45.739  221.969   33.677  293.932   39.876  333.970   25.840 -40.03809 47.51624 
1 1 1  -24    2    9 o  129.350   23.792   35.129   12.818   19.140   18.377   50.275   17.886  102.963   36.507  155.737   30.522 -52.77467 47.58485 
1 1 1  -24    2   10 o  129.687   25.389   35.352   13.278   34.150   19.540   36.384   18.100  127.829   37.032  131.545   34.742 -3.716042 50.77818 
1 1 1  -24    2   11 o  434.358   19.186  377.074   32.489  361.092   44.762  394.866   47.230  424.702   27.008  444.015   27.258 -19.31348 38.37182 
1 1 1  -24    2   12 o  178.237   42.873   68.665   29.456   68.665   29.456   0.0000   0.0000  178.237   42.873  ?   ?       ?      ? 
1 1 1  -24    2   13 o  179.192   25.544   67.969   17.242   71.172   24.261   64.700   24.508  183.907   35.085  174.478   37.134 9.429398 51.08713 
1 1 1  -24    2   14 o  211.917   21.899   91.117   18.091   93.592   25.256   88.510   25.926  215.098   30.088  208.737   31.827 6.361221 43.79771 
1 1 1  -24    2   15 o  157.692   28.880   53.106   17.454   56.015   28.870   51.429   21.913  160.252   44.553  155.132   36.759 5.120560 57.76006 
1 1 1  -24    2   16 o  282.005   23.022  158.511   24.887  142.975   31.793  183.094   39.992  265.276   30.711  298.734   34.305 -33.45816 46.04340 
1 1 1  -24    2   17 o  457.321   20.308  423.717   36.166  460.281   51.715  388.718   50.596  477.179   27.772  437.463   29.638 39.71570 40.61623 
1 1 1  -24    2   18 o  391.821   20.069  311.782   30.679  309.009   42.866  314.693   43.928  390.159   28.154  393.483   28.608 -3.324097 40.13782 
1 1 1  -24    2   19 o  204.274   40.773  103.640   34.901  122.271   44.978   75.444   55.332  230.217   51.368  178.331   63.334 51.88644 81.54668 
1 1 1  -24    2   20 o  448.786   20.510  412.822   35.884  391.657   49.490  436.283   52.106  436.654   29.043  460.919   28.969 -24.26437 41.02096 
1 1 1  -24    2   21 o  103.142   26.031   14.693   14.491   37.166   22.157  -2.1063   19.156  130.043   39.874   76.242   33.473 53.80069 52.06112 
1 1 1  -24    2   22 o  312.753   22.517  204.482   27.316  178.293   38.260  231.711   39.012  291.080   33.682  334.426   29.893 -43.34570 45.03391 
1 1 1  -24    2   23 o  273.431   28.561  163.523   30.195  152.850   44.672  172.501   40.971  262.882   43.545  283.980   36.971 -21.09723 57.12265 
1 1 1  -24    2   24 o   67.536   21.834 -19.4352   12.191   6.9023   21.834 -31.3643   14.694   89.429   37.393   45.644   22.555 43.78513 43.66837 
1 1 1  -24    2   25 o  160.715   30.502   60.639   19.788   49.222   29.650   69.807   26.571  145.583   46.350  175.848   39.665 -30.26488 61.00472 
1 1 1  -24    3    1 o  293.608   20.652  178.391   22.468  198.947   28.769  146.249   35.974  317.238   23.239  269.977   34.146 47.26154 41.30320 
1 1 1  -24    3    2 o  190.773   18.460   72.151   13.724   71.272   18.872   73.137   19.994  189.612   25.505  191.933   26.695 -2.320694 36.92057 
1 1 1  -24    3    3 o  259.333   18.235  131.620   18.325  114.018   24.417  154.317   27.727  239.696   26.104  278.969   25.469 -39.27303 36.47030 
1 1 1  -24    3    4 o  341.729   17.655  230.657   23.497  213.097   32.190  250.685   34.378  327.815   25.163  355.642   24.771 -27.82684 35.30934 
1 1 1  -24    3    5 o  267.801   18.077  142.484   18.872  145.646   26.294  139.126   27.103  270.991   24.864  264.611   26.247 6.379822 36.15417 
1 1 1  -24    3    6 o  219.246   18.861   95.801   16.109  100.172   22.510   91.214   23.062  224.534   25.689  213.959   27.621 10.57484 37.72107 
1 1 1  -24    3    7 o  154.275   34.378   46.358   21.904   39.330   26.472   61.619   39.007  138.412   43.766  170.138   53.029 -31.72612 68.75671 
1 1 1  -24    3    8 o  281.454   23.439  154.823   24.620  176.847   42.498  143.698   30.204  294.942   36.923  267.965   28.884 26.97763 46.87844 
1 1 1  -24    3    9 o  268.791   19.419  144.720   20.253  163.863   28.869  126.167   28.419  286.709   25.802  250.874   29.029 35.83534 38.83844 
1 1 1  -24    3   10 o  390.782   19.049  305.191   29.034  298.816   40.269  312.093   41.900  386.623   26.690  394.941   27.186 -8.318207 38.09811 
1 1 1  -24    3   11 o  340.435   19.388  231.762   25.726  220.775   35.338  244.150   37.523  331.917   27.282  348.953   27.555 -17.03699 38.77626 
1 1 1  -24    3   12 o   79.522   23.798   3.0645   11.822  -0.7548   22.250   4.5667   13.954   84.789   36.662   74.255   30.354 10.53458 47.59689 
1 1 1  -24    3   13 o  171.174   29.240   70.694   19.533   33.584   36.434   85.663   23.140  136.178   50.918  206.170   28.761 -69.99246 58.47949 
1 1 1  -24    3   14 o  238.246   21.580  114.469   19.881   94.891   27.217  136.866   29.111  215.972   32.293  260.519   28.634 -44.54648 43.15978 
1 1 1  -24    3   15 o  468.550   28.545  443.106   52.194   0.0000   0.0000  443.106   52.194  ?   ?   468.550   28.545      ?      ? 
1 1 1  -24    3   16 o  189.931   26.301   75.144   19.045   58.368   25.740   95.440   28.311  164.043   40.460  215.819   33.615 -51.77621 52.60254 
1 1 1  -24    3   17 o  228.897   22.612  107.022   20.040  125.446   29.050   90.295   27.681  248.308   29.980  209.486   33.860 38.82199 45.22480 
1 1 1  -24    3   18 o  251.377   22.162  129.551   21.726  123.226   30.422  136.134   31.037  244.926   31.829  257.828   30.847 -12.90169 44.32396 
1 1 1  -24    3   19 o  528.943   47.534  617.605   98.116   0.0000   0.0000  617.605   98.116  ?   ?   528.943   47.534      ?      ? 
1 1 1  -24    3   20 o  295.086   21.881  179.959   25.103  201.432   36.229  160.130   34.814  312.664   29.693  277.507   32.148 35.15610 43.76247 
1 1 1  -24    3   21 o  270.387   22.901  153.577   23.946  132.443   34.060  174.237   33.675  250.476   34.845  290.299   29.725 -39.82330 45.80140 
1 1 1  -24    3   22 o  215.145   27.017   99.576   22.053  118.977   32.891   83.730   29.724  236.734   35.603  193.555   40.646 43.17827 54.03412 
1 1 1  -24    3   23 o  169.555   33.365   67.122   22.402   66.122   37.351   67.684   27.996  166.360   51.898  172.749   41.948 -6.388855 66.73066 
1 1 1  -24    3   24 o  108.450   28.688   17.059   16.111   37.843   27.666   6.3939   19.817  131.180   44.905   85.721   35.714 45.45879 57.37546 
1 1 1  -24    3   25 o  328.814   23.273  228.404   29.823  243.870   43.427  214.600   41.028  339.420   32.786  318.207   33.040 21.21359 46.54610 
1 1 1  -24    4    1 o  212.826   18.986   89.477   15.708   84.284   21.119   95.907   23.501  206.037   26.266  219.616   27.421 -13.57864 37.97112 
1 1 1  -24    4    2 o  272.085   17.991  146.253   19.037  140.074   25.680  153.792   28.365  265.850   24.753  278.320   26.116 -12.47003 35.98280 
1 1 1  -24    4    3 o  382.742   18.084  290.515   26.965  287.245   36.985  294.225   39.398  380.612   24.901  384.871   26.232 -4.259491 36.16804 
1 1 1  -24    4    4 o  244.792   18.040  119.325   17.175  125.193   23.746  112.887   24.872  251.332   24.211  238.253   26.751 13.07857 36.08047 
1 1 1  -24    4    5 o  230.739   18.941  105.764   17.020  103.137   23.222  108.812   25.018  227.759   26.127  233.719   27.431 -5.960373 37.88218 
1 1 1  -24    4    6 o  376.543   25.169  281.538   31.990  276.347   36.831  297.487   64.557  372.897   25.310  380.190   43.512 -7.293304 50.33757 
1 1 1  -24    4    7 o  388.421   22.955  309.573   33.365  281.079   54.051  327.115   42.410  371.794   37.254  405.047   26.830 -33.25275 45.90963 
1 1 1  -24    4    8 o  348.054   18.780  238.951   25.354  208.804   33.949  276.968   38.124  323.414   26.899  372.693   26.213 -49.27921 37.55928 
1 1 1  -24    4    9 o   90.455   21.187   7.1957   9.7622   32.118   16.730  -5.6701   12.021  123.883   33.709   57.026   25.678 66.85725 42.37468 
1 1 1  -24    4   10 o  138.051   25.700   40.436   14.013   38.400   20.896   42.101   18.890  134.873   38.049  141.228   34.557 -6.355469 51.39960 
1 1 1  -24    4   11 o  508.816   29.005  520.997   57.593   0.0000   0.0000  520.997   57.593  ?   ?   508.816   29.005      ?      ? 
1 1 1  -24    4   12 o  298.414   25.671  181.615   29.689  191.528   45.133  174.055   39.418  304.882   37.934  291.946   34.598 12.93539 51.34249 
1 1 1  -24    4   13 o  197.546   30.175   86.259   21.587   73.876   38.226   92.058   26.157  182.087   51.496  213.005   31.467 -30.91776 60.34918 
1 1 1  -24    4   14 o   95.845   24.910   15.708   12.333   9.1804   19.825   19.828   15.751   90.818   36.522  100.872   33.885 -10.05432 49.82067 
1 1 1  -24    4   15 o  341.477   20.408  234.885   27.149  219.030   37.231  252.889   39.674  329.160   28.985  353.794   28.736 -24.63345 40.81513 
1 1 1  -24    4   16 o  124.710   27.420   31.649   14.807   40.759   22.476   24.664   19.681  137.774   39.660  111.645   37.876 26.12878 54.84084 
1 1 1  -24    4   17 o  399.200   20.435  320.757   31.688  292.415   42.442  356.457   47.634  379.585   28.652  418.815   29.145 -39.22961 40.86985 
1 1 1  -24    4   18 o  394.691   30.389  326.240   38.529  320.240   43.567  347.778   82.543  396.757   28.138  392.625   53.873 4.131073 60.77857 
1 1 1  -24    4   19 o  264.926   31.066  163.307   28.720  124.868   47.627  185.272   36.002  230.086   53.975  299.766   30.776 -69.68037 62.13294 
1 1 1  -24    4   20 o  290.555   22.620  176.360   25.513  191.758   35.609  160.117   36.573  304.762   29.941  276.347   33.913 28.41470 45.23910 
1 1 1  -24    4   21 o  111.473   28.078   24.928   15.541   16.887   25.121   29.914   19.781  104.806   41.453  118.140   37.883 -13.33353 56.15590 
1 1 1  -24    4   22 o  199.798   27.362   87.758   20.426   91.043   30.972   85.230   27.172  201.985   40.699  197.611   36.583 4.373962 54.72416 
1 1 1  -24    4   23 o   75.337   23.918  -3.3544   13.503 -40.4546   31.763   4.8290   14.918   75.307   36.296   75.367   31.159 -0.6018829E-01 47.83570 
1 1 1  -24    4   24 o  188.629   29.719   78.178   21.209  103.183   33.278   61.073   27.523  214.162   41.315  163.096   42.731 51.06573 59.43776 
1 1 1  -24    4   25 o  466.672   23.109  461.866   42.026  483.015   59.074  440.192   59.801  478.673   31.624  454.670   33.704 24.00317 46.21743 
1 1 1  -24    5    1 o  182.705   33.549   58.260   16.881   54.419   17.874   89.978   51.364  162.836   29.201  202.574   60.411 -39.73793 67.09790 
1 1 1  -24    5    2 o  575.541   19.892  657.274   44.522  626.548   60.033  694.831   66.372  560.961   27.424  590.120   28.821 -29.15955 39.78324 
1 1 1  -24    5    3 o  249.498   18.539  122.880   17.984  112.949   24.217  135.090   26.853  238.374   26.033  260.623   26.403 -22.24963 37.07885 
1 1 1  -24    5    4 o  238.738   19.516  113.782   18.110  115.680   24.668  111.562   26.671  241.148   26.213  236.327   28.920 4.820969 39.03166 
1 1 1  -24    5    5 o  354.391   18.603  249.165   25.655  239.223   34.743  261.086   38.044  346.813   25.671  361.969   26.933 -15.15570 37.20690 
1 1 1  -24    5    6 o  362.308   26.915  272.496   32.220  277.496   37.098  257.146   65.000  373.444   25.456  351.172   47.431 22.27167 53.83063 
1 1 1  -24    5    7 o  279.893   22.995  158.953   24.249  154.133   39.437  161.883   30.748  275.206   36.721  284.581   27.687 -9.375519 45.98961 
1 1 1  -24    5    8 o  126.229   24.683   33.508   12.551   31.133   18.936   35.369   16.762  122.618   36.706  129.841   33.009 -7.223572 49.36578 
1 1 1  -24    5    9 o  319.926   20.113  205.959   25.012  213.760   34.336  197.138   36.509  326.860   26.919  312.992   29.891 13.86813 40.22512 
1 1 1  -24    5   10 o  154.493   24.586   50.968   14.927   34.845   21.901   64.957   20.400  129.300   39.642  179.685   29.092 -50.38509 49.17194 
1 1 1  -24    5   11 o  161.539   30.456   52.611   18.313   68.033   33.619   46.104   21.838  176.079   47.731  146.998   37.843 29.08115 60.91256 
1 1 1  -24    5   12 o  327.880   21.950  218.269   27.442  220.156   35.380  215.419   43.479  331.002   27.390  324.758   34.308 6.244476 43.90030 
1 1 1  -24    5   13 o  398.168   24.331  326.987   36.413  313.192   59.260  335.354   46.153  388.711   39.066  407.626   29.014 -18.91550 48.66212 
1 1 1  -24    5   14 o  249.840   21.408  126.404   20.808  113.644   28.981  139.980   29.893  236.483   31.404  263.198   29.104 -26.71503 42.81644 
1 1 1  -24    5   15 o  146.783   27.322   45.320   15.730   54.317   24.485   38.998   20.526  158.487   39.679  135.079   37.572 23.40814 54.64449 
1 1 1  -24    5   16 o  382.109   20.692  297.394   30.725  319.313   42.775  274.033   44.160  397.534   27.573  366.684   30.861 30.84958 41.38420 
1 1 1  -24    5   17 o  433.913   20.866  377.059   35.015  333.744   45.956  437.003   54.063  404.979   29.079  462.846   29.932 -57.86700 41.73125 
1 1 1  -24    5   18 o  246.843   39.792  176.869   42.810  235.264   50.864   35.021   79.275  333.169   39.121  160.517   69.305 172.6518 79.58413 
1 1 1  -24    5   19 o  445.922   20.953  408.969   36.390  407.616   49.923  410.503   53.155  445.851   28.693  445.993   30.541 -0.1418762 41.90516 
1 1 1  -24    5   20 o  223.370   25.960  108.184   21.785   90.488   31.170  125.082   30.459  201.649   41.007  245.091   31.846 -43.44221 51.92037 
1 1 1  -24    5   21 f  288.501   22.840  174.063   25.706  168.250   36.185  179.985   36.525  283.387   32.720  293.616   31.877 -10.22961 45.68065 
1 1 1  -24    5   22 o  413.877   21.972  357.000   35.467  366.784   49.869  346.985   50.452  420.169   30.414  407.586   31.719 12.58362 43.94470 
1 1 1  -24    5   23 o  297.659   29.623  191.798   33.327  207.516   54.985  182.670   41.901  303.294   46.457  292.023   36.768 11.27081 59.24659 
1 1 1  -24    5   24 o  157.404   31.587   56.964   19.886   60.048   32.457   55.110   25.161  159.263   48.141  155.546   40.906 3.716919 63.17366 
1 1 1  -24    6    1 o  485.649   23.898  363.328   36.057  303.072   39.251  689.062   91.261  390.409   25.763  580.890   40.259 -190.4810 47.79636 
1 1 1  -24    6    2 o  317.395   25.906  176.569   25.587  160.564   28.107  254.008   61.826  284.226   25.340  350.564   45.193 -66.33810 51.81255 
1 1 1  -24    6    3 o  269.651   27.302  124.887   22.257  113.094   24.226  188.712   56.361  238.377   26.043  300.926   47.994 -62.54941 54.60492 
1 1 1  -24    6    4 o  484.075   26.282  462.292   42.731  448.948   48.969  504.888   87.490  474.673   26.436  493.478   45.432 -18.80435 52.56340 
1 1 1  -24    6    5 f  215.047   35.192   95.478   21.404   94.483   22.976  102.011   58.880  217.580   27.060  212.514   64.974 5.065643 70.38342 
1 1 1  -24    6    6 o  293.169   19.422  170.996   22.109  164.206   29.595  179.572   33.258  286.871   26.437  299.467   28.459 -12.59637 38.84324 
1 1 1  -24    6    7 o  179.001   25.917   70.947   17.176   49.990   27.696   84.045   21.895  153.033   44.017  204.969   27.373 -51.93614 51.83422 
1 1 1  -24    6    8 o  105.974   23.457   22.503   11.736   7.2091   18.355   33.079   15.263   86.291   34.987  125.657   31.255 -39.36559 46.91471 
1 1 1  -24    6    9 o  276.999   20.831  151.637   22.289  126.909   29.468  184.699   34.074  250.903   30.096  303.094   28.808 -52.19109 41.66137 
1 1 1  -24    6   10 o  251.901   28.208  138.085   24.759  118.314   42.630  148.149   30.415  232.489   48.554  271.313   28.727 -38.82452 56.41541 
1 1 1  -24    6   11 o  114.984   45.211   18.897   29.719   18.897   29.719   0.0000   0.0000  114.984   45.211  ?   ?       ?      ? 
1 1 1  -24    6   12 o   77.630   20.336   4.6942   10.411 -29.8067   18.911   19.698   12.471   57.001   27.603   98.259   29.872 -41.25808 40.67297 
1 1 1  -24    6   13 o  270.064   21.951  146.542   23.018  131.844   30.809  165.115   34.632  254.912   30.971  285.216   31.115 -30.30458 43.90111 
1 1 1  -24    6   14 o  527.557   21.051  560.709   43.141  532.963   57.802  595.602   64.821  513.500   28.845  541.615   30.668 -28.11511 42.10227 
1 1 1  -24    6   15 o  200.873   24.761   84.517   18.907   79.606   27.413   88.973   26.111  193.025   37.745  208.721   32.058 -15.69597 49.52139 
1 1 1  -24    6   16 o  420.061   20.721  358.765   33.881  359.660   46.368  357.741   49.630  421.243   28.207  418.879   30.361 2.363831 41.44188 
1 1 1  -24    6   17 o  304.590   41.409  237.253   35.003  248.417   38.393  182.278   85.199  349.500   28.150  259.680   77.887 89.81976 82.81756 
1 1 1  -24    6   18 o  208.793   44.127   72.510   31.166   50.210   33.984  190.521   78.178  149.965   49.762  267.620   72.887 -117.6551 88.25356 
1 1 1  -24    6   19 o  326.609   21.634  221.193   27.483  236.929   38.474  204.797   39.272  339.414   29.047  313.804   32.070 25.61008 43.26868 
1 1 1  -24    6   20 o  113.516   28.109   26.202   14.961   23.490   25.875   27.564   18.338  113.134   42.782  113.897   36.470 -0.7635117 56.21728 
1 1 1  -24    6   21 o  111.495   28.472   24.429   15.227   21.797   27.535   25.588   18.276  112.498   43.722  110.493   36.484 2.005264 56.94457 
1 1 1  -24    6   22 o  119.125   31.817   27.668   17.978   10.353   43.564   31.221   19.737  118.229   51.211  120.020   37.772 -1.790955 63.63344 
1 1 1  -24    6   23 o  216.684   28.831  100.299   22.830  126.500   38.212   85.754   28.470  236.691   42.951  196.678   38.472 40.01295 57.66236 
1 1 1  -24    6   24 o  153.603   30.556   43.104   18.049   89.022   35.195   26.719   21.024  194.257   46.948  112.950   39.121 81.30719 61.11138 
1 1 1  -24    7    1 o  285.664   34.467  148.909   25.542  140.418   27.234  210.922   73.598  265.437   26.292  305.891   63.724 -40.45419 68.93452 
1 1 1  -24    7    2 o  326.121   30.463  184.844   27.322  172.095   29.203  274.365   77.383  294.022   25.451  358.219   55.356 -64.19681 60.92651 
1 1 1  -24    7    3 o  344.675   29.253  218.907   29.973  206.037   32.680  287.057   75.203  321.505   26.048  367.846   52.389 -46.34137 58.50672 
1 1 1  -24    7    4 o  220.419   36.134   55.047   17.632   46.075   18.189  194.835   71.793  148.476   32.310  292.362   64.643 -143.8856 72.26766 
1 1 1  -24    7    5 o  212.263   37.806   75.300   19.754   70.329   20.604  131.851   69.495  187.384   28.176  237.142   70.167 -49.75856 75.61248 
1 1 1  -24    7    6 o  614.624   46.835  792.894  112.334   0.0000   0.0000  792.894  112.334  ?   ?   614.624   46.835      ?      ? 
1 1 1  -24    7    7 o  290.497   38.234  191.153   30.116  194.425   32.762  173.308   76.501  311.652   26.938  269.341   71.565 42.31088 76.46700 
1 1 1  -24    7    8 o  162.126   23.651   54.765   14.437   61.641   21.413   49.034   19.549  171.667   33.165  152.584   33.728 19.08292 47.30183 
1 1 1  -24    7    9 o  439.595   19.812  386.361   33.847  367.241   45.455  410.156   50.708  427.809   27.227  451.382   28.787 -23.57297 39.62348 
1 1 1  -24    7   10 o  106.369   28.748   16.916   12.793   17.954   34.236   16.748   13.792  119.131   47.964   93.607   31.707 25.52423 57.49694 
1 1 1  -24    7   11 o  311.034   27.877  194.700   33.836  194.700   33.836   0.0000   0.0000  311.034   27.877  ?   ?       ?      ? 
1 1 1  -24    7   12 o   83.999   22.961   9.9616   10.786  -2.0148   19.639   15.135   12.907   78.437   34.178   89.562   30.672 -11.12491 45.92253 
1 1 1  -24    7   13 o  564.467   21.402  636.872   46.673  584.449   61.002  710.893   72.487  537.671   29.073  591.262   31.416 -53.59143 42.80418 
1 1 1  -24    7   14 o  431.495   27.801  408.513   43.867  303.807   68.795  480.259   56.947  376.565   46.815  486.425   30.000 -109.8601 55.60264 
1 1 1  -24    7   15 o  226.680   23.130  105.365   20.461  105.158   28.954  105.572   28.918  226.439   32.766  226.921   32.655 -0.4824677 46.26040 
1 1 1  -24    7   16 o  355.223   21.249  258.596   29.297  269.427   40.014  246.081   43.012  364.236   28.151  346.210   31.836 18.02612 42.49734 
1 1 1  -24    7   17 o  215.798   32.768   96.420   27.595   96.420   27.595   0.0000   0.0000  215.798   32.768  ?   ?       ?      ? 
1 1 1  -24    7   18 o  194.755   28.228   78.318   19.683  101.191   35.095   67.821   23.774  212.528   43.773  176.983   35.655 35.54492 56.45653 
1 1 1  -24    7   19 o  167.723   26.837   61.415   16.882   65.599   26.790   58.659   21.743  171.213   40.695  164.232   34.996 6.980713 53.67301 
1 1 1  -24    7   20 o   80.200   24.082   4.4417   11.721  -0.5611   24.077   5.9955   13.418   86.261   37.708   74.139   29.965 12.12162 48.16386 
1 1 1  -24    7   21 o  376.460   21.755  293.878   31.891  268.998   43.869  321.766   46.444  359.209   31.295  393.711   30.229 -34.50150 43.51043 
1 1 1  -24    7   22 o  348.615   34.059  287.627   42.202  229.349   66.691  326.547   54.501  305.652   58.035  391.577   35.666 -85.92554 68.11873 
1 1 1  -24    7   23 o  105.548   25.361   18.155   16.940 -54.5682   33.999   42.173   19.538   73.190   35.790  137.905   35.941 -64.71471 50.72165 
1 1 1  -24    8    1 o  399.339   27.413  209.748   28.749  177.257   30.184  527.208   94.351  298.062   25.950  500.616   48.296 -202.5533 54.82619 
1 1 1  -24    8    2 o  382.420   32.884  296.173   35.859  291.504   39.089  320.974   90.088  382.107   26.214  382.734   60.317 -0.6271362 65.76725 
1 1 1  -24    8    3 o  372.320   32.284  221.882   30.683  203.053   32.300  395.988   98.218  318.931   25.952  425.709   59.122 -106.7778 64.56702 
1 1 1  -24    8    4 o  396.857   32.868  291.164   35.476  276.534   37.986  391.001   99.232  372.042   26.164  421.671   60.304 -49.62872 65.73526 
1 1 1  -24    8    5 o  692.781   50.556  1022.02  136.680   0.0000   0.0000  1022.02  136.680  ?   ?   692.781   50.556      ?      ? 
1 1 1  -24    8    6 o  230.137   42.022  115.737   30.584  115.355   33.141  117.934   79.389  237.645   35.736  222.629   76.068 15.01605 84.04467 
1 1 1  -24    8    7 o  184.980   41.768   45.684   18.610   40.701   19.153  129.950   78.757  138.603   35.311  231.357   75.705 -92.75420 83.53517 
1 1 1  -24    8    8 o  269.194   41.534  186.800   30.457  196.033   32.621  124.066   85.033  312.665   26.736  225.723   78.648 86.94183 83.06797 
1 1 1  -24    8    9 o  525.822   54.544  603.295  111.922   0.0000   0.0000  603.295  111.922  ?   ?   525.822   54.544      ?      ? 
1 1 1  -24    8   10 o  427.389   27.585  367.418   46.008  367.418   46.008   0.0000   0.0000  427.389   27.585  ?   ?       ?      ? 
1 1 1  -24    8   11 o  195.579   45.328   70.144   23.385   68.365   24.032  101.892  101.503  179.797   35.511  211.361   83.412 -31.56436 90.65596 
1 1 1  -24    8   12 o  434.651   21.098  380.152   35.494  364.082   46.896  401.704   54.309  424.770   28.291  444.532   31.307 -19.76202 42.19572 
1 1 1  -24    8   13 o  299.942   21.583  181.415   25.165  164.113   33.947  202.524   37.496  284.152   30.614  315.732   30.432 -31.58081 43.16595 
1 1 1  -24    8   14 o  238.986   30.722  116.389   28.652   0.0000   0.0000  116.389   28.652  ?   ?   238.986   30.722      ?      ? 
1 1 1  -24    8   15 o  124.548   25.687   29.530   12.839   46.481   22.453   21.294   15.651  146.246   38.730  102.850   33.753 43.39605 51.37362 
1 1 1  -24    8   16 o  220.946   44.648   73.780   24.973   62.893   25.985  205.551   90.401  169.167   39.992  272.725   79.839 -103.5581 89.29540 
1 1 1  -24    8   17 o  116.954   27.317   29.540   15.398   7.2326   28.108   39.105   18.405   99.661   42.090  134.246   34.832 -34.58509 54.63409 
1 1 1  -24    8   18 o  105.916   25.195   22.761   13.774  -1.7508   24.273   34.403   16.728   85.822   37.679  126.010   33.457 -40.18813 50.38942 
1 1 1  -24    8   19 o  245.066   24.486  126.109   23.344  140.519   34.278  113.644   31.880  258.394   33.994  231.738   35.253 26.65604 48.97256 
1 1 1  -24    8   20 o  279.224   23.697  163.875   25.763  178.579   36.966  149.990   35.924  292.032   32.437  266.416   34.553 25.61591 47.39321 
1 1 1  -24    8   21 o  298.426   30.372  181.473   31.399  232.030   62.950  164.729   36.227  316.994   50.888  279.858   33.171 37.13644 60.74474 
1 1 1  -24    8   22 o  187.964   28.919   85.555   24.062   18.031   35.690  141.819   32.579  116.023   48.099  259.905   32.121 -143.8818 57.83850 
1 1 1  -24    8   23 o  287.734   24.800  175.233   27.580  190.270   42.606  164.388   36.184  297.006   36.760  278.462   33.298 18.54462 49.59901 
1 1 1  -24    9    1 o  420.118   37.449  336.692   39.984  323.557   42.432  440.799  119.456  401.943   27.052  438.292   69.841 -36.34872 74.89731 
1 1 1  -24    9    2 o  473.531   26.968  449.082   49.834  449.082   49.834   0.0000   0.0000  473.531   26.968  ?   ?       ?      ? 
1 1 1  -24    9    3 o  271.865   50.119  119.614   24.147  114.697   24.580  255.397  129.165  239.426   26.308  304.303   96.724 -64.87703 100.2382 
1 1 1  -24    9    4 o  535.619   30.738  529.892   49.110  494.470   53.549  717.324  123.180  496.381   27.644  574.858   54.910 -78.47745 61.47599 
1 1 1  -24    9    5 o  242.186   41.499   77.518   24.967   63.484   26.057  234.908   87.259  172.186   39.604  312.186   72.940 -140.0003 82.99833 
1 1 1  -24    9    6 f  179.902   41.648   60.049   20.765   59.218   21.416   73.100   84.832  167.816   33.870  191.987   76.099 -24.17104 83.29632 
1 1 1  -24    9    7 o  302.642   38.539  153.444   27.829  140.977   29.187  278.145   92.308  264.652   28.261  340.633   71.710 -75.98114 77.07777 
1 1 1  -24    9    8 o  166.208   46.055   50.579   38.158   54.054   42.451   35.963   87.073  160.255   55.585  172.162   73.448 -11.90739 92.11053 
1 1 1  -24    9    9 o  267.756   41.253  219.681   34.357  244.195   36.887   59.170   94.390  348.562   27.118  186.949   77.921 161.6140 82.50542 
1 1 1  -24    9   10 o  255.499   57.870  123.541   28.578  121.401   28.886  222.075  196.037  244.810   30.236  266.188  111.720 -21.37733 115.7397 
1 1 1  -24    9   11 o  150.057   43.171   34.836   21.017   36.214   21.401  -2.5370  111.474  130.737   38.996  169.377   77.035 -38.64032 86.34259 
1 1 1  -24    9   12 o  196.658   45.632   75.266   25.513   73.678   26.347   99.179  102.218  185.652   37.654  207.664   83.135 -22.01242 91.26469 
1 1 1  -24    9   13 o  222.827   41.315  141.270   30.465  152.133   31.787   18.718  106.766  273.580   29.774  172.075   77.079 101.5054 82.62952 
1 1 1  -24    9   14 o  245.468   92.741  178.846  121.523   0.0000   0.0000  178.846  121.523  ?   ?   245.468   92.741      ?      ? 
1 1 1  -24    9   15 o  266.189   22.090  145.672   22.937  146.623   32.062  144.674   32.828  267.295   30.738  265.083   31.734 2.211853 44.18008 
1 1 1  -24    9   16 o  113.669   36.231   11.473   20.150   16.035   20.660 -77.5955   91.288   99.322   38.066  128.016   61.658 -28.69457 72.46221 
1 1 1  -24    9   17 f  349.604   27.020  262.158   36.040  200.898   50.275  326.921   51.692  303.853   42.399  395.355   33.505 -91.50226 54.03902 
1 1 1  -24    9   18 o  321.638   21.738  214.579   27.227  233.342   39.019  196.775   38.010  335.938   29.764  307.338   31.692 28.59933 43.47684 
1 1 1  -24    9   19 o   88.613   23.063   12.130   12.203 -21.9231   24.009   23.993   14.170   71.029   33.465  106.196   31.744 -35.16686 46.12605 
1 1 1  -24    9   20 o  149.128   29.243   50.032   17.222   50.109   28.556   49.988   21.591  148.027   45.247  150.230   37.058 -2.203278 58.48587 
1 1 1  -24    9   21 o  347.973   32.437  270.040   40.792  277.039   72.255  266.765   49.421  342.257   54.098  353.689   35.806 -11.43204 64.87476 
1 1 1  -24    9   22 o  358.916   23.218  268.023   32.258  305.029   49.614  240.925   42.456  379.505   33.501  338.327   32.157 41.17853 46.43662 
1 1 1  -24   10    1 o  174.966   50.034   25.044   14.341   23.478   14.430  151.742  129.770  106.839   32.056  243.093   94.795 -136.2547 100.0685 
1 1 1  -24   10    2 o  312.199   35.449  110.721   22.780   97.383   23.356  371.510  103.273  220.281   27.170  404.117   65.486 -183.8362 70.89887 
1 1 1  -24   10    3 o  537.587   34.792  578.048   54.033  559.131   58.906  678.395  135.671  526.947   28.646  548.228   63.415 -21.28064 69.58493 
1 1 1  -24   10    4 o  512.504   70.041  611.574  140.082   0.0000   0.0000  611.574  140.082  ?   ?   512.504   70.041      ?      ? 
1 1 1  -24   10    5 o  400.660   43.533  314.709   39.784  302.510   41.838  429.859  128.543  387.885   27.640  413.436   82.563 -25.55157 87.06661 
1 1 1  -24   10    6 o  159.028   54.266   3.6011   13.468   2.6339   13.509  162.186  172.985   70.598   29.457  247.459  104.459 -176.8607 108.5330 
1 1 1  -24   10    7 o  331.883   96.538  310.861  132.548   0.0000   0.0000  310.861  132.548  ?   ?   331.883   96.538      ?      ? 
1 1 1  -24   10    8 o  305.083   47.552  233.348   35.891  237.572   37.846  195.602  113.140  343.301   28.250  266.865   90.811 76.43552 95.10389 
1 1 1  -24   10    9 o  121.307   44.704  -2.2272   14.809  -1.3193   14.861 -132.3880  177.929   68.847   29.865  173.767   84.272 -104.9201 89.40726 
1 1 1  -24   10   10 o  417.839   34.725  270.796   37.460  240.856   39.409  551.206  120.604  344.948   29.276  490.730   62.978 -145.7814 69.44971 
1 1 1  -24   10   11 o  373.295   42.157  245.139   37.462  225.865   39.354  431.201  122.272  333.383   30.249  413.208   78.701 -79.82483 84.31451 
1 1 1  -24   10   12 o  489.723   33.972  409.051   46.005  368.259   49.071  705.237  132.227  425.667   29.541  553.779   61.186 -128.1128 67.94389 
1 1 1  -24   10   13 o  125.191   39.321   17.696   19.230   20.258   19.563 -55.7396  104.745  104.540   37.602  145.842   69.071 -41.30193 78.64240 
1 1 1  -24   10   14 o  233.642   45.048  137.944   31.127  140.557   32.519  109.375  107.527  261.176   31.906  206.107   84.257 55.06850 90.09534 
1 1 1  -24   10   15 o  256.310   46.705  168.287   33.443  169.538   35.053  155.598  111.620  286.486   31.354  226.135   87.990 60.35110 93.40915 
1 1 1  -24   10   16 o  194.108   44.551   84.825   30.807   81.069   33.140  108.728   83.599  188.457   45.563  199.759   76.571 -11.30186 89.10165 
1 1 1  -24   10   17 o  161.884   40.862   57.159   25.087   58.167   26.381   47.634   81.077  160.585   41.720  163.182   70.272 -2.596405 81.72383 
1 1 1  -24   10   18 o  225.952   45.651  116.445   30.276  112.568   31.749  155.364  100.595  230.495   35.296  221.409   84.203 9.085495 91.30131 
1 1 1  -24   10   19 o  339.224   22.583  239.101   29.795  222.831   40.181  258.974   44.409  326.784   31.509  351.665   32.360 -24.88156 45.16607 
1 1 1  -24   10   20 o  258.439   34.886  144.042   28.381  175.415   62.405  135.861   31.867  262.232   61.964  254.645   32.069 7.587845 69.77102 
1 1 1  -24   10   21 o  245.389   25.840  129.037   24.672  132.038   36.442  126.497   33.523  247.259   37.768  243.520   35.275 3.738647 51.67929 
1 1 1  -24   10   22 o  265.423   24.937  149.262   25.434  161.577   40.132  140.995   32.881  272.753   37.704  258.093   32.646 14.65997 49.87384 
1 1 1  -24   11    1 o  238.202   44.971   98.116   23.193   93.526   23.842  179.050  100.116  215.467   28.355  260.936   85.355 -45.46875 89.94106 
1 1 1  -24   11    2 o  370.565   34.569  170.480   30.240  145.651   31.343  504.594  114.978  268.396   29.925  472.734   62.326 -204.3381 69.13747 
1 1 1  -24   11    3 o  219.864   46.283   92.253   27.097   88.436   28.144  140.701  100.271  204.787   36.558  234.941   85.042 -30.15388 92.56697 
1 1 1  -24   11    4 o  169.317   44.145   44.018   18.801   42.986   19.135   72.837  101.145  142.250   34.764  196.383   81.157 -54.13278 88.28909 
1 1 1  -24   11    5 o  278.656   47.281  158.773   30.092  154.318   31.247  215.699  111.693  276.484   28.961  280.827   90.017 -4.343170 94.56118 
1 1 1  -24   11    6 o  352.303   52.081  312.854   61.655  326.433   71.435  273.198  122.078  391.537   46.752  313.070   93.081 78.46704 104.1627 
1 1 1  -24   11    7 o  313.759   47.799  171.217   31.510  160.586   32.574  325.938  124.270  281.673   29.634  345.845   90.888 -64.17102 95.59741 
1 1 1  -24   11    8 o  280.206   61.961  137.921   30.177  133.617   30.491  343.718  210.848  256.562   30.454  303.849  120.121 -47.28662 123.9213 
1 1 1  -24   11    9 f  347.127   67.044  344.085   73.264  342.350   76.798  361.649  244.295  397.616   49.494  296.638  124.619 100.9785 134.0882 
1 1 1  -24   11   10 f  179.079   56.308   34.767   21.685   33.783   21.802  125.631  209.473  126.696   39.670  231.462  105.398 -104.7653 112.6169 
1 1 1  -24   11   11 o  295.288   60.689  211.217   37.278  209.061   37.772  292.073  231.365  320.244   30.224  270.332  117.555 49.91187 121.3784 
1 1 1  -24   11   12 o  191.195   44.036   84.325   26.415   87.606   26.971   7.2016  130.758  205.939   33.560  176.452   81.427 29.48639 88.07198 
1 1 1  -24   11   13 o  193.227   42.276   91.035   26.093   94.752   26.796   22.959  114.671  214.267   32.047  172.186   78.243 42.08063 84.55106 
1 1 1  -24   11   14 o  437.971   50.436  541.271   56.032  573.804   61.564  384.259  135.249  528.258   29.864  347.684   96.351 180.5742 100.8729 
1 1 1  -24   11   15 o  130.146   38.758   21.710   21.676   20.647   22.703   32.671   72.901  107.106   40.165  153.186   66.299 -46.07942 77.51664 
1 1 1  -24   11   16 f  182.790   39.993   79.072   26.011   79.811   27.905   74.171   71.829  190.111   38.924  175.470   69.875 14.64145 79.98531 
1 1 1  -24   11   17 o  122.688   37.635   13.236   20.193   10.951   21.115   37.693   69.081   93.092   37.602  152.283   65.206 -59.19046 75.27090 
1 1 1  -24   11   18 o  253.380   41.391  183.770   33.430  196.553   36.341  113.427   85.249  307.697   30.265  199.062   77.052 108.6357 82.78246 
1 1 1  -24   11   19 o  129.212   41.341   1.0255   43.542   0.2851   55.225   2.2418   70.786  122.860   55.206  135.565   61.552 -12.70510 82.68255 
1 1 1  -24   11   20 f  244.085   50.086  171.631   36.706  172.919   37.464  140.751  183.493  285.969   33.571  202.201   94.379 83.76828 100.1719 
1 1 1  -24   11   21 o  343.731   35.151  289.784   39.868  315.660   48.159  233.429   71.071  387.083   31.882  300.379   62.658 86.70432 70.30252 
1 1 1  -24   12    1 o  122.166   33.503   27.628   16.706   33.156   17.054 -103.9571   83.198  125.229   34.015  119.103   57.730 6.126030 67.00556 
1 1 1  -24   12    2 o  279.597   36.162   80.281   23.699   62.337   24.499  341.629   93.499  170.696   37.778  388.498   61.672 -217.8022 72.32310 
1 1 1  -24   12    3 o  384.710   31.477  141.984   28.109  109.998   29.011  632.675  113.627  232.451   31.981  536.969   54.225 -304.5188 62.95361 
1 1 1  -24   12    4 o  244.901   59.626  150.174   56.144  152.850   58.918  123.749  185.150  256.748   59.901  233.055  103.117 23.69316 119.2528 
1 1 1  -24   12    5 o  228.035   59.374  124.669   55.097  128.223   57.527   85.249  191.576  233.214   62.103  222.856  101.215 10.35748 118.7489 
1 1 1  -24   12    6 o  268.600   64.388   88.876   27.412   82.921   27.647  435.299  210.870  197.458   37.245  339.741  123.273 -142.2833 128.7762 
1 1 1  -24   12    7 o  263.556   59.049  133.064   29.370  130.242   29.683  264.996  202.952  253.240   30.036  273.872  114.214 -20.63232 118.0974 
1 1 1  -24   12    8 o  206.978   55.339   73.258   25.444   72.473   25.646  122.495  203.135  184.133   36.975  229.823  104.319 -45.69008 110.6782 
1 1 1  -24   12    9 o  166.733   47.295   39.669   21.408   38.448   21.745   78.149  122.057  133.785   39.154  199.680   86.105 -65.89452 94.58938 
1 1 1  -24   12   10 o  276.876   57.792  201.032   37.617  201.394   38.056  185.594  248.575  313.621   31.094  240.131  111.324 73.48904 115.5845 
1 1 1  -24   12   11 o  159.666   46.269   44.765   20.347   46.859   20.439 -186.4844  214.767  147.160   35.908  172.173   85.287 -25.01297 92.53732 
1 1 1  -24   12   12 o  274.551   63.249  128.612   30.290  122.461   30.579  450.290  221.133  243.297   32.207  305.805  122.329 -62.50829 126.4980 
1 1 1  -24   12   13 o  239.682   32.808  119.539   30.686  119.539   30.686   0.0000   0.0000  239.682   32.808  ?   ?       ?      ? 
1 1 1  -24   12   14 o  264.431   51.865  202.391   43.403  205.298   44.989  163.318  164.936  310.772   37.096  218.089   96.869 92.68277 103.7296 
1 1 1  -24   12   15 o  268.643   79.372  211.237   88.983   0.0000   0.0000  211.237   88.983  ?   ?   268.643   79.372      ?      ? 
1 1 1  -24   12   16 o  242.899   42.667  151.963   31.682  154.258   33.998  136.815   87.350  271.689   32.066  214.108   79.080 57.58066 85.33366 
1 1 1  -24   12   17 f  151.213   42.470   32.825   21.457   28.772   22.201   90.285   83.593  117.237   40.224  185.189   74.811 -67.95138 84.93917 
1 1 1  -24   12   18 o  167.389   54.495   20.488   56.111   0.7616   60.314  147.412  152.988  127.290   57.398  207.488   92.652 -80.19833 108.9909 
1 1 1  -24   12   19 o  206.052   45.571  115.988   31.621  119.728   32.173   9.6982  171.503  237.332   34.738  174.773   84.262 62.55930 91.14182 
1 1 1  -24   12   20 o  107.253   35.103 -22.2926   18.901 -29.7986   19.810   53.847   63.095   58.062   28.149  156.443   64.316 -98.38102 70.20608 
1 1 1  -24   13    1 o  221.831   56.066   75.956   25.496   72.901   25.788  208.384  169.782  184.890   37.032  258.771  105.840 -73.88092 112.1319 
1 1 1  -24   13    2 o  155.699   39.725   41.537   18.465   40.987   19.009   50.748   77.758  138.546   35.114  172.852   71.269 -34.30577 79.44996 
1 1 1  -24   13    3 o  157.908   47.353   30.111   50.077   24.970   65.748   37.215   77.281  150.842   64.075  164.975   69.740 -14.13234 94.70637 
1 1 1  -24   13    4 o  229.146   59.335   79.980   26.494   76.881   26.732  251.348  198.780  189.674   37.445  268.618  112.607 -78.94359 118.6699 
1 1 1  -24   13    5 o  242.355   53.551  143.551   34.372  145.591   34.837   68.698  211.005  266.234   33.531  218.475  101.718 47.75914 107.1020 
1 1 1  -24   13    6 o  158.869   53.827   16.724   16.406   16.150   16.461  101.567  200.195   95.158   34.455  222.580  101.992 -127.4215 107.6548 
1 1 1  -24   13    7 o  468.556   73.522  715.070   69.327  715.781   71.000  700.526  321.213  591.938   30.736  345.173  143.796 246.7647 147.0445 
1 1 1  -24   13    8 o  230.370   57.498   99.757   28.676   98.031   28.917  201.871  222.433  217.722   34.034  243.018  109.845 -25.29591 114.9969 
1 1 1  -24   13    9 o  216.191   61.231   63.530   24.667   60.614   24.812  309.854  228.049  166.566   38.880  265.816  116.127 -99.24994 122.4630 
1 1 1  -24   13   10 o  146.578   38.593   47.129   22.379   47.129   22.379   0.0000   0.0000  146.578   38.593  ?   ?       ?      ? 
1 1 1  -24   13   11 o  255.309   55.155  161.658   33.122  160.540   33.525  207.314  214.232  278.927   30.800  231.691  105.923 47.23587 110.3101 
1 1 1  -24   13   12 o  293.659   30.813  178.435   35.311  178.435   35.311   0.0000   0.0000  293.659   30.813  ?   ?       ?      ? 
1 1 1  -24   13   13 o  187.241   85.814   67.355  141.810   0.0000   0.0000   67.355  141.810  ?   ?   187.241   85.814      ?      ? 
1 1 1  -24   13   14 o  131.570   43.396   14.776   20.424   15.129   20.676   0.5639  131.340   97.597   37.899  165.544   78.079 -67.94736 86.79130 
1 1 1  -24   13   15 o  126.973   38.959   14.870   21.275   12.274   22.200   44.088   74.482   96.041   38.639  157.905   67.663 -61.86422 77.91776 
1 1 1  -24   13   16 o  243.570   39.954  184.145   35.431  207.729   38.743   63.645   87.574  315.513   31.466  171.628   73.451 143.8847 79.90739 
1 1 1  -24   13   17 o  186.956   50.371   92.882   54.503  130.438   72.032   42.585   83.360  214.161   72.462  159.751   69.989 54.41072 100.7430 
1 1 1  -24   13   18 o  259.932   52.270  194.037   37.878  193.581   38.655  205.036  189.849  303.178   32.672  216.686   99.302 86.49265 104.5391 
1 1 1  -24   13   19 o  150.869   36.808   57.292   24.518   65.184   25.665 -25.1557   82.952  169.894   39.465  131.844   62.144 38.04932 73.61639 
1 1 1  -24   14    1 o  243.255   65.072  144.974   65.997  133.468   70.398  228.444  189.615  229.635   71.185  256.875  108.950 -27.23990 130.1438 
1 1 1  -24   14    2 o  330.429   73.186  250.918   74.471  213.561   78.818  561.778  227.366  292.836   69.935  368.023  128.583 -75.18719 146.3714 
1 1 1  -24   14    3 o  209.318   55.901   70.269   24.321   68.502   24.517  179.474  192.739  178.764   36.381  239.871  105.717 -61.10684 111.8021 
1 1 1  -24   14    4 o  236.572   40.621  166.128   33.689  184.320   36.054   40.990   94.562  300.168   30.779  172.976   75.187 127.1919 81.24277 
1 1 1  -24   14    5 o  205.036   45.577  110.436   28.934  116.120   29.182 -220.0356  222.511  237.866   31.437  172.206   85.562 65.66077 91.15444 
1 1 1  -24   14    6 o  217.732   57.440   82.618   25.960   80.851   26.141  208.940  220.980  194.430   35.771  241.033  109.168 -46.60307 114.8791 
1 1 1  -24   14    7 o  293.145   61.301  219.101   42.067  215.633   42.694  334.647  246.436  322.123   33.963  264.168  117.804 57.95505 122.6024 
1 1 1  -24   14    8 o  294.723   63.820  193.756   36.299  188.356   36.682  448.698  252.049  302.233   31.101  287.213  123.793 15.02060 127.6401 
1 1 1  -24   14    9 o  230.524   51.358  137.173   31.490  138.835   31.772   44.827  236.830  259.038   31.430  202.009   97.790 57.02834 102.7163 
1 1 1  -24   14   10 o   95.312   35.370   16.007   17.516   16.007   17.516   0.0000   0.0000   95.312   35.370  ?   ?       ?      ? 
1 1 1  -24   14   11 o  199.704   37.397   87.014   28.074   87.014   28.074   0.0000   0.0000  199.704   37.397  ?   ?       ?      ? 
1 1 1  -24   14   12 o  233.199   54.146  127.437   30.928  125.921   31.237  202.907  220.370  245.352   32.625  221.045  103.260 24.30725 108.2915 
1 1 1  -24   14   13 o  231.584  104.896  247.714  204.073   0.0000   0.0000  247.714  204.073  ?   ?   231.584  104.896      ?      ? 
1 1 1  -24   14   14 o  224.417   50.865  120.178   30.514  119.018   30.991  156.940  174.455  237.915   33.380  210.918   96.099 26.99701 101.7309 
1 1 1  -24   14   15 f  152.874   49.906   20.714   21.749   18.579   21.964  128.584  156.099  103.218   39.323  202.529   91.739 -99.31083 99.81119 
1 1 1  -24   14   16 o  187.092   56.955   93.513   72.129  106.190   79.960   38.132  167.126  193.717   74.723  180.467   85.976 13.24992 113.9102 
1 1 1  -24   14   17 o  152.321   42.683   49.072   23.583   52.729   23.791 -157.5926  178.840  152.830   39.577  151.812   75.637 1.018005 85.36572 
1 1 1  -24   14   18 o  161.456   47.313   48.771   23.707   49.261   23.899   18.678  187.451  147.049   40.403  175.863   85.566 -28.81378 94.62510 
1 1 1  -24   15    1 o  331.530   59.019  323.177   44.604  323.835   45.596  308.559  215.015  397.840   29.369  265.221  114.326 132.6181 118.0378 
1 1 1  -24   15    2 o  215.234   47.566  117.216   28.827  120.166   29.191   1.1299  183.111  241.677   30.952  188.790   89.956 52.88716 95.13195 
1 1 1  -24   15    3 o  149.487   48.172   25.299   17.296   25.479   17.377   6.0449  179.907  110.690   35.508  188.284   89.561 -77.59370 96.34325 
1 1 1  -24   15    4 o  388.934   68.829  409.017   53.063  399.420   54.178  635.093  262.958  439.788   31.568  338.080  133.990 101.7076 137.6581 
1 1 1  -24   15    5 o  187.150   53.431   58.180   24.135   57.315   24.306  119.119  204.093  161.252   39.042  213.049   99.474 -51.79651 106.8614 
1 1 1  -24   15    6 o  230.544   50.792  136.858   31.182  138.372   31.519   67.116  213.935  258.669   31.224  202.420   96.666 56.24908 101.5840 
1 1 1  -24   15    7 o  145.359   52.239   5.4484   15.446   4.6366   15.492  141.811  200.790   76.549   31.708  214.169   99.550 -137.6206 104.4781 
1 1 1  -24   15    8 o  144.989   50.871   11.876   16.587   11.310   16.643   94.636  201.218   87.339   33.979  202.638   95.901 -115.2994 101.7425 
1 1 1  -24   15    9 o  246.930   33.284  127.735   32.073  127.735   32.073   0.0000   0.0000  246.930   33.284  ?   ?       ?      ? 
1 1 1  -24   15   10 o  203.370   37.981   90.664   29.035   90.664   29.035   0.0000   0.0000  203.370   37.981  ?   ?       ?      ? 
1 1 1  -24   15   11 o  200.166   55.265   78.946   28.388   77.666   28.570  178.366  251.798  186.428   40.435  213.904  102.868 -27.47566 110.5296 
1 1 1  -24   15   12 o  160.049   49.766   41.303   23.308   42.234   23.407 -67.4495  252.966  137.482   40.732  182.617   90.817 -45.13503 99.53268 
1 1 1  -24   15   13 o  211.593   59.458  149.215   79.625  175.566   84.548 -57.5275  236.822  242.692   78.374  180.495   89.436 62.19719 118.9167 
1 1 1  -24   15   14 o  154.672   49.398   32.686   22.423   32.573   22.569   41.349  197.762  122.750   40.544  186.594   90.093 -63.84401 98.79562 
1 1 1  -24   15   15 f  225.982   53.952  156.646   65.153  227.645   86.234   62.209   99.455  279.805   76.693  172.159   75.904 107.6462 107.9041 
1 1 1  -24   15   16 o  267.588   51.698  218.181   40.054  219.102   40.985  198.598  189.006  322.273   32.589  212.903   98.125 109.3703 103.3952 
1 1 1  -24   15   17 o  286.553   69.435   82.500   27.866   71.636   28.054  884.563  241.049  176.914   41.374  396.192  132.563 -219.2777 138.8693 
1 1 1  -24   16    1 o  153.848   50.273   5.9680   60.899   4.2632   69.097   11.901  128.899  137.430   61.753  170.266   79.349 -32.83572 100.5468 
1 1 1  -24   16    2 o  325.637   59.264  313.730   46.917  311.966   48.060  349.508  216.461  387.568   31.776  263.706  114.188 123.8619 118.5270 
1 1 1  -24   16    3 o  170.866   51.040   42.428   20.295   41.657   20.418  105.675  184.975  137.677   37.146  204.055   95.082 -66.37735 102.0801 
1 1 1  -24   16    4 o  175.296   46.784   65.097   24.330   67.058   24.517 -61.4117  196.952  175.011   37.053  175.582   85.919 -0.5716095 93.56835 
1 1 1  -24   16    5 o  185.867   56.048   44.331   21.521   42.084   21.645  238.934  201.471  137.917   38.661  233.818  105.218 -95.90031 112.0962 
1 1 1  -24   16    6 o  143.478   44.426   30.957   18.412   32.287   18.507 -97.7377  182.059  121.942   36.239  165.014   81.127 -43.07189 88.85261 
1 1 1  -24   16    7 f  260.867   33.496  142.887   34.099  142.887   34.099   0.0000   0.0000  260.867   33.496  ?   ?       ?      ? 
1 1 1  -24   16    8 o  282.866   33.089  167.855   36.525  167.855   36.525   0.0000   0.0000  282.866   33.089  ?   ?       ?      ? 
1 1 1  -24   16    9 o  119.698   42.103   9.1014   15.913   10.595   15.963 -227.8677  201.083   85.097   33.230  154.299   77.371 -69.20219 84.20517 
1 1 1  -24   16   10 o  322.775   35.811  221.448   45.108  221.448   45.108   0.0000   0.0000  322.775   35.811  ?   ?       ?      ? 
1 1 1  -24   16   11 o  158.102   49.722   36.322   21.563   36.408   21.675   28.033  212.883  128.520   39.443  187.685   91.287 -59.16527 99.44352 
1 1 1  -24   16   12 o  223.060   54.343  108.914   30.437  106.405   30.761  226.119  210.265  223.819   35.219  222.302  102.821 1.516815 108.6851 
1 1 1  -24   16   13 o  171.133   56.433   36.919   80.101   30.707   90.300   59.856  173.508  156.908   70.541  185.357   88.106 -28.44878 112.8660 
1 1 1  -24   16   14 o  170.941   53.282   62.395   69.151   70.107   90.411   51.523  107.344  172.750   74.300  169.131   76.391 3.618896 106.5646 
1 1 1  -24   16   15 o  265.764   48.162  242.104   43.548  250.382   44.688   86.106  193.998  343.549   33.333  187.979   90.374 155.5700 96.32484 
1 1 1  -24   17    1 o  185.055   48.682   86.708   54.885  137.124   67.509 -11.5870   94.263  224.238   69.741  145.872   67.939 78.36598 97.36302 
1 1 1  -24   17    2 o  184.802   52.831   89.067   59.913  106.967   70.764   43.751  112.592  197.943   71.474  171.661   77.820 26.28137 105.6622 
1 1 1  -24   17    3 o  157.779   51.318   19.600   66.275   31.725   75.092 -23.1315  140.967  152.262   66.575  163.295   78.116 -11.03250 102.6370 
1 1 1  -24   17    4 o  248.277   55.151  151.301   33.172  148.973   33.570  247.774  216.062  266.932   32.227  229.621  105.490 37.31145 110.3029 
1 1 1  -24   17    5 o  241.038   34.054  122.455   32.032  122.455   32.032   0.0000   0.0000  241.038   34.054  ?   ?       ?      ? 
1 1 1  -24   17    6 o  324.590   31.859  220.073   40.355  220.073   40.355   0.0000   0.0000  324.590   31.859  ?   ?       ?      ? 
1 1 1  -24   17    7 o  182.963   46.421   78.273   26.082   80.601   26.305 -57.5464  200.892  192.124   36.418  173.802   85.401 18.32245 92.84132 
1 1 1  -24   17    8 o  190.217   50.005   75.239   25.575   74.977   25.806   89.624  191.400  184.738   37.085  195.696   92.880 -10.95857 100.0098 
1 1 1  -24   17    9 o  179.287   86.488   11.515  181.294   0.0000   0.0000   11.515  181.294  ?   ?   179.287   86.488      ?      ? 
1 1 1  -24   17   10 o   68.589   29.463   0.5974   14.184   0.5974   14.184   0.0000   0.0000   68.589   29.463  ?   ?       ?      ? 
1 1 1  -24   17   11 o  235.363   46.884  170.255   37.011  175.962   37.802   38.032  181.941  288.588   33.566  182.137   87.554 106.4515 93.76736 
1 1 1  -24   17   12 o  245.365   64.288  237.101   89.225  258.475  102.627  170.919  180.587  282.664   85.641  208.066   95.902 74.59827 128.5755 
1 1 1  -24   17   13 o  177.563   56.496   75.473   80.295   89.005   93.871   38.575  155.007  180.699   76.650  174.426   83.016 6.273331 112.9911 
1 1 1  -24   18    1 o  153.419   48.811   24.541   58.235   27.284   69.966   18.354  105.068  146.979   64.264  159.858   73.486 -12.87914 97.62138 
1 1 1  -24   18    2 o  216.919   54.355  146.266   61.467  168.531   71.579   83.743  119.949  247.675   70.614  186.164   82.653 61.51123 108.7100 
1 1 1  -24   18    3 o  152.149   64.744   39.737   67.343   39.737   67.343   0.0000   0.0000  152.149   64.744  ?   ?       ?      ? 
1 1 1  -24   18    4 o  200.773   77.153  116.731   85.008  116.731   85.008   0.0000   0.0000  200.773   77.153  ?   ?       ?      ? 
1 1 1  -24   18    5 o  245.292   46.117  196.412   38.761  205.341   39.597  -8.4354  189.660  312.942   32.424  177.642   86.347 135.2995 92.23403 
1 1 1  -24   18    6 o  171.252   47.172   56.625   22.509   56.909   22.708   40.683  170.050  160.335   37.039  182.169   86.770 -21.83484 94.34486 
1 1 1  -24   18    7 o  192.989   47.874   86.351   27.516   86.778   27.902   71.257  165.864  198.677   37.360  187.302   88.159 11.37543 95.74837 
1 1 1  -24   18    8 o  137.128   44.176   22.081   18.243   22.234   18.391   12.663  144.131  104.949   36.575  169.308   80.426 -64.35927 88.35242 
1 1 1  -24   18    9 o  149.495   46.382   29.078   18.400   28.255   18.552   78.544  143.827  114.582   36.683  184.407   85.204 -69.82565 92.76474 
1 1 1  -24   18   10 o  177.477   78.063   77.284  104.608   77.284  104.608   0.0000   0.0000  177.477   78.063  ?   ?       ?      ? 
1 1 1  -24   18   11 o  229.048   69.036  129.087   93.299   22.655  105.659  505.831  198.790  157.310   72.805  300.785  117.317 -143.4750 138.0720 
1 1 1  -24   19    1 f  102.754   48.774 -40.0903   52.807 -40.0903   52.807   0.0000   0.0000  102.754   48.774  ?   ?       ?      ? 
1 1 1  -24   19    2 o  104.996   48.849 -22.9943   48.522 -22.9943   48.522   0.0000   0.0000  104.996   48.849  ?   ?       ?      ? 
1 1 1  -24   19    3 f  192.343   51.980  105.731   51.548  115.841   54.309   13.819  163.745  210.674   61.941  174.011   83.492 36.66246 103.9599 
1 1 1  -24   19    4 f  209.866   54.768  137.212   58.586  146.363   63.275   82.236  155.085  232.730   66.405  187.003   87.111 45.72682 109.5355 
1 1 1  -24   19    5 o  179.767   51.283   87.421   59.109  113.950   66.369 -14.3289  129.979  201.588   69.526  157.946   75.406 43.64133 102.5661 
1 1 1  -24   19    6 o  137.342   42.086   28.742   20.657   29.726   20.954  -5.2340  123.104  117.550   39.078  157.133   74.551 -39.58278 84.17233 
1 1 1  -24   19    7 o  108.147   37.728   4.9820   14.519   6.3578   14.609 -106.0051  131.215   76.577   31.152  139.717   68.725 -63.13995 75.45616 
1 1 1  -24   19    8 o  221.831   68.129  172.809   99.699   92.703  117.997  372.708  186.398  183.057   81.583  260.604  109.135 -77.54666 136.2581 
1 1 1  -24   20    1 o  162.387   55.077   22.038   46.690   14.560   47.864  168.907  212.122  123.122   53.504  201.652   96.287 -78.53004 110.1543 
1 1 1  -24   20    2 o  157.600   54.225   8.9188   44.312   0.7927   45.397  172.966  203.971  112.742   50.398  202.459   96.029 -89.71721 108.4508 
1 1 1  -24   20    3 o  145.551   48.035   21.601   45.635   27.986   47.248 -67.1904  176.195  131.332   54.967  159.770   78.791 -28.43796 96.07008 
1 1 1  -23    0    1 o  103.312   27.192   28.212   14.423   28.212   14.423   28.212   14.423  103.312   38.455  103.312   38.455 0.000000 0.000000 
1 1 1  -23    0    2 o  844.023   32.988  1429.70  152.584  1429.70  152.584  1429.70  152.584  844.023   46.651  844.023   46.651 0.000000 0.000000 
1 1 1  -23    0    3 o  248.721   17.785  125.041   23.840  125.041   23.840  125.041   23.840  248.721   25.151  248.721   25.151 -0.000000 0.000000 
1 1 1  -23    0    4 o  201.690   19.272   84.117   20.348   84.117   20.348   84.117   20.348  201.690   27.254  201.690   27.254 -0.000000 0.000000 
1 1 1  -23    0    5 o  203.980   20.717   86.670   21.925   86.670   21.925   86.670   21.925  203.980   29.298  203.980   29.298 0.000000 0.000000 
1 1 1  -23    0    6 o  384.228   18.074  293.766   37.936  293.766   37.936  293.766   37.936  384.228   25.560  384.228   25.560 0.000000 0.000000 
1 1 1  -23    0    7 o  258.177   18.670  135.028   25.964  135.028   25.964  135.028   25.964  258.177   26.403  258.177   26.403 0.000000 0.000000 
1 1 1  -23    0    8 o  355.006   18.064  251.510   34.970  251.510   34.970  251.510   34.970  355.006   25.546  355.006   25.546 0.000000 0.000000 
1 1 1  -23    0    9 o  541.734   28.266  592.890   83.449  592.890   83.449  592.890   83.449  541.734   39.974  541.734   39.974 -0.000000 0.000000 
1 1 1  -23    0   10 o  211.912   21.243   93.686   23.402   93.686   23.402   93.686   23.402  211.912   30.042  211.912   30.042 0.000000 0.000000 
1 1 1  -23    0   11 o  137.057   43.147   55.066   34.579   55.066   34.579   55.066   34.579  137.057   61.019  137.057   61.019 -0.000000 0.000000 
1 1 1  -23    0   12 o  237.903   21.181  116.994   26.613  116.994   26.613  116.994   26.613  237.903   29.955  237.903   29.955 0.000000 0.000000 
1 1 1  -23    0   13 o  359.653   19.609  260.047   38.389  260.047   38.389  260.047   38.389  359.653   27.731  359.653   27.731 0.000000 0.000000 
1 1 1  -23    0   14 o  735.906   31.396  1105.31  126.448  1105.31  126.448  1105.31  126.448  735.906   44.401  735.906   44.401 -0.000000 0.000000 
1 1 1  -23    0   15 o  257.277   21.531  136.631   29.444  136.631   29.444  136.631   29.444  257.277   30.449  257.277   30.449 -0.000000 0.000000 
1 1 1  -23    0   16 f   31.681   16.008 -19.0762   12.697 -19.0762   12.697 -19.0762   12.697   31.681   22.638   31.681   22.638 0.000000 0.000000 
1 1 1  -23    0   17 o   76.286   29.735   16.512   18.181   16.512   18.181   16.512   18.181   76.286   42.052   76.286   42.052 -0.000000 0.000000 
1 1 1  -23    0   18 o  164.315   31.084   64.429   24.358   64.429   24.358   64.429   24.358  164.315   43.960  164.315   43.960 -0.000000 0.000000 
1 1 1  -23    0   19 o   53.292   24.469  -0.4136   17.197  -0.4136   17.197  -0.4136   17.197   53.292   34.604   53.292   34.604 -0.000000 0.000000 
1 1 1  -23    0   20 o   83.830   38.362   3.8401   41.798   3.8401   41.798   3.8401   41.798   83.830   54.252   83.830   54.252 -0.000000 0.000000 
1 1 1  -23    0   21 o  368.623   21.096  277.038   42.270  277.038   42.270  277.038   42.270  368.623   29.834  368.623   29.834 0.000000 0.000000 
1 1 1  -23    0   22 o  312.270   22.988  202.550   38.634  202.550   38.634  202.550   38.634  312.270   32.510  312.270   32.510 -0.000000 0.000000 
1 1 1  -23    0   23 o  109.060   36.054   36.506   24.229   36.506   24.229   36.506   24.229  109.060   50.988  109.060   50.988 -0.000000 0.000000 
1 1 1  -23    0   24 o   60.296   27.221   3.0657   20.154   3.0657   20.154   3.0657   20.154   60.296   38.496   60.296   38.496 0.000000 0.000000 
1 1 1  -23    0   25 o  475.028   28.143  473.790   72.588  473.790   72.588  473.790   72.588  475.028   39.800  475.028   39.800 -0.000000 0.000000 
1 1 1  -23    0   26 o   70.271   30.370   10.473   22.391   10.473   22.391   10.473   22.391   70.271   42.949   70.271   42.949 0.000000 0.000000 
1 1 1  -23    1    1 o  442.776   21.999  392.372   36.196  378.449   60.726  400.045   45.079  435.420   35.738  450.132   25.663 -14.71225 43.99771 
1 1 1  -23    1    2 o  180.238   25.376   67.149   17.206   64.110   24.783   69.976   23.906  175.896   37.263  184.579   34.457 -8.682236 50.75243 
1 1 1  -23    1    3 o   70.076   18.101   3.5385   7.3033   16.059   11.030  -6.2360   9.7457   90.362   28.204   49.791   22.697 40.57063 36.20232 
1 1 1  -23    1    4 o  330.035   17.607  214.066   22.583  188.409   30.912  243.429   33.070  308.806   25.652  351.263   24.125 -42.45728 35.21390 
1 1 1  -23    1    5 o  222.649   18.669   98.161   16.201  103.130   22.829   93.120   22.996  228.421   25.611  216.878   27.171 11.54266 37.33861 
1 1 1  -23    1    6 o  471.370   18.446  439.666   33.929  445.364   48.016  433.984   47.951  474.458   25.933  468.281   26.239 6.177063 36.89237 
1 1 1  -23    1    7 o  213.283   18.791   90.375   15.343   68.914   21.174  114.099   22.263  186.219   29.137  240.348   23.736 -54.12952 37.58181 
1 1 1  -23    1    8 o  209.567   20.405   88.857   15.827   64.704   21.816  115.692   22.995  177.290   32.738  241.844   24.365 -64.55339 40.81008 
1 1 1  -23    1    9 o  157.365   28.564   41.716   20.967   0.9208   27.385   99.500   32.593   96.146   41.109  218.584   39.671 -122.4372 57.12885 
1 1 1  -23    1   10 o  482.471   18.819  462.036   35.405  441.304   48.979  484.726   51.239  471.145   26.639  493.797   26.590 -22.65210 37.63887 
1 1 1  -23    1   11 o  225.133   34.666  109.352   29.524  111.137   40.228  107.268   43.467  227.985   46.784  222.282   51.169 5.703522 69.33252 
1 1 1  -23    1   12 o  792.238   22.928  1264.12   70.855  1238.07   98.494  1292.06  102.006  783.964   32.194  800.513   32.653 -16.54852 45.85526 
1 1 1  -23    1   13 o  221.443   24.499   94.540   20.055  135.264   33.296   71.354   25.123  258.565   32.998  184.321   36.220 74.24403 48.99715 
1 1 1  -23    1   14 o  106.875   25.851   20.307   14.097   4.0188   21.118   33.400   18.933   87.524   36.698  126.225   36.419 -38.70035 51.70183 
1 1 1  -23    1   15 o  109.239   24.843   23.121   12.303   32.096   18.031   15.303   16.829  123.651   35.502   94.827   34.761 28.82367 49.68574 
1 1 1  -23    1   16 o   71.922   21.535   0.7149   10.470   5.3454   15.665  -3.0237   14.075   78.701   32.165   65.144   28.644 13.55680 43.07041 
1 1 1  -23    1   17 o  239.121   21.183  115.827   19.729  107.382   27.806  124.388   27.996  230.039   30.975  248.203   28.904 -18.16331 42.36639 
1 1 1  -23    1   18 o  368.208   19.738  273.648   28.355  278.335   39.909  268.870   40.293  371.562   27.524  364.854   28.300 6.707886 39.47689 
1 1 1  -23    1   19 o  319.202   20.266  206.090   25.153  183.223   34.780  231.162   36.419  300.243   29.684  338.161   27.598 -37.91736 40.53166 
1 1 1  -23    1   20 f  288.265   35.783  185.375   39.346  182.246   53.874  188.952   57.600  288.830   47.797  287.701   53.265 1.129486 71.56663 
1 1 1  -23    1   21 o  334.420   20.805  229.078   27.109  211.949   37.693  247.433   39.016  321.119   30.079  347.720   28.753 -26.60147 41.61092 
1 1 1  -23    1   22 o  448.436   20.995  414.732   36.738  421.620   52.119  407.929   51.795  452.268   29.530  444.604   29.853 7.664124 41.99052 
1 1 1  -23    1   23 o  166.197   26.850   61.713   18.757   26.134   26.613   96.832   26.440  116.782   43.547  215.613   31.424 -98.83050 53.70082 
1 1 1  -23    1   24 o  195.413   27.647   84.347   20.633   71.852   29.622   96.121   28.755  177.580   43.167  213.246   34.554 -35.66597 55.29310 
1 1 1  -23    1   25 o  339.184   27.133  246.722   35.774  278.254   52.794  219.950   48.645  359.740   37.606  318.628   39.122 41.11179 54.26561 
1 1 1  -23    1   26 o  199.820   28.882   88.630   22.164  116.605   32.629   64.663   30.202  233.281   35.842  166.359   45.300 66.92281 57.76456 
1 1 1  -23    2    1 o  432.326   22.312  386.536   35.924  306.166   56.115  442.351   46.763  391.294   36.749  473.358   25.315 -82.06396 44.62402 
1 1 1  -23    2    2 o  280.366   20.542  157.678   21.540  162.892   27.134  148.794   35.420  287.373   24.195  273.360   33.204 14.01382 41.08424 
1 1 1  -23    2    3 o  300.062   17.410  177.510   20.373  172.591   28.197  182.882   29.468  295.743   24.432  304.380   24.808 -8.637054 34.81927 
1 1 1  -23    2    4 o  219.532   18.370   95.064   15.706   87.012   21.710  103.906   22.750  209.739   26.524  229.324   25.422 -19.58455 36.73957 
1 1 1  -23    2    5 o  211.798   18.174   88.689   15.017   88.322   20.963   89.076   21.521  211.379   25.414  212.217   25.987 -0.8377533 36.34804 
1 1 1  -23    2    6 o  106.212   21.930   22.251   10.351   10.350   14.861   33.466   14.427   85.113   32.366  127.311   29.599 -42.19766 43.85917 
1 1 1  -23    2    7 o  180.768   20.311   65.865   13.937   57.736   19.469   74.410   19.960  167.750   30.878  193.787   26.394 -26.03748 40.62127 
1 1 1  -23    2    8 o  128.241   23.630   38.558   15.741   59.678   17.819 -36.4684   33.585  173.473   26.322   83.008   39.252 90.46499 47.26085 
1 1 1  -23    2    9 o  137.340   27.641   38.836   14.826   38.794   26.457   38.855   17.900  138.147   43.762  136.533   33.780 1.613586 55.28297 
1 1 1  -23    2   10 o  104.023   23.036   20.805   11.219   8.0406   16.504   31.770   15.296   84.437   33.535  123.609   31.592 -39.17293 46.07198 
1 1 1  -23    2   11 o  198.418   21.665   80.257   16.250   68.539   22.875   92.194   23.088  181.840   33.469  214.996   27.519 -33.15660 43.32972 
1 1 1  -23    2   12 o  503.964   19.456  507.364   38.254  501.983   53.384  513.044   54.844  501.315   27.288  506.612   27.741 -5.297272 38.91241 
1 1 1  -23    2   13 o  411.777   23.208  342.992   35.814  343.368   59.465  342.779   44.864  409.872   37.177  413.681   27.791 -3.808777 46.41646 
1 1 1  -23    2   14 o  530.862   38.607  580.031   79.979   0.0000   0.0000  580.031   79.979  ?   ?   530.862   38.607      ?      ? 
1 1 1  -23    2   15 o  271.369   19.847  148.001   21.010  142.443   29.333  153.855   30.107  266.089   28.249  276.648   27.887 -10.55972 39.69469 
1 1 1  -23    2   16 o  162.126   25.007   55.824   15.836   38.083   22.541   73.115   22.252  134.110   40.025  190.143   29.989 -56.03304 50.01342 
1 1 1  -23    2   17 o  389.055   19.964  305.478   30.258  325.866   42.843  285.188   42.741  402.436   27.280  375.674   29.154 26.76175 39.92714 
1 1 1  -23    2   18 o  141.633   26.918   43.291   15.244   38.834   22.375   47.151   20.824  134.872   39.788  148.395   36.267 -13.52315 53.83662 
1 1 1  -23    2   19 o  312.915   20.294  198.583   24.778  198.456   34.778  198.713   35.312  312.903   28.482  312.926   28.917 -0.2270508E-01 40.58796 
1 1 1  -23    2   20 o  300.724   35.724  196.440   40.527  167.745   52.263  239.722   64.186  272.056   51.104  329.391   49.934 -57.33456 71.44897 
1 1 1  -23    2   21 f  187.059   27.098   76.339   19.119   85.343   27.423   67.824   26.669  198.806   36.699  175.312   39.881 23.49414 54.19700 
1 1 1  -23    2   22 o  244.697   23.757  125.637   22.456  104.914   31.338  147.508   32.195  222.633   36.070  266.762   30.926 -44.12920 47.51308 
1 1 1  -23    2   23 o   93.101   24.422   7.5752   14.602 -24.6867   22.544   30.894   19.166   66.651   31.704  119.552   37.156 -52.90099 48.84397 
1 1 1  -23    2   24 o  174.728   30.617   68.709   20.317   73.888   33.073   65.570   25.748  178.058   46.933  171.398   39.329 6.659866 61.23318 
1 1 1  -23    2   25 o  136.529   30.490   40.981   18.128   49.931   27.597   34.188   24.042  147.647   44.337  125.411   41.866 22.23573 60.98000 
1 1 1  -23    2   26 o  379.145   23.177  302.857   34.150  267.995   47.161  341.291   49.517  355.134   34.030  403.156   31.474 -48.02191 46.35306 
1 1 1  -23    3    1 o  440.243   22.293  388.716   36.488  373.602   61.080  397.102   45.498  432.228   36.212  448.259   26.010 -16.03061 44.58502 
1 1 1  -23    3    2 o  149.499   21.971   46.218   12.467   51.354   16.497   39.378   19.038  161.170   26.229  137.828   35.255 23.34242 43.94162 
1 1 1  -23    3    3 o  266.498   17.825  140.486   18.508  144.502   25.704  136.162   26.672  270.569   24.344  262.427   26.045 8.141937 35.65022 
1 1 1  -23    3    4 o  319.246   17.849  201.736   22.199  212.197   31.131  190.915   31.664  327.822   24.335  310.670   26.118 17.15265 35.69744 
1 1 1  -23    3    5 o  249.219   17.387  122.553   16.898  118.343   23.356  127.177   24.478  244.751   24.453  253.687   24.725 -8.935364 34.77491 
1 1 1  -23    3    6 o  456.805   18.460  411.020   32.820  380.929   44.533  446.798   48.558  438.624   26.017  474.987   26.197 -36.36386 36.92098 
1 1 1  -23    3    7 o  230.342   18.882  104.485   16.821   86.427   22.855  125.826   24.845  208.582   28.079  252.102   25.254 -43.51987 37.76499 
1 1 1  -23    3    8 o  448.066   24.017  403.346   38.240  404.318   45.597  401.040   70.210  451.544   25.876  444.587   40.468 6.957703 48.03356 
1 1 1  -23    3    9 o  322.847   23.474  218.820   27.789  175.512   45.071  245.380   35.297  294.081   39.274  351.613   25.724 -57.53271 46.94835 
1 1 1  -23    3   10 o  188.973   20.946   71.396   15.433   75.220   21.945   67.655   21.709  194.077   28.976  183.869   30.255 10.20815 41.89227 
1 1 1  -23    3   11 o  575.341   20.184  661.152   45.279  647.130   62.504  676.636   65.683  569.122   28.143  581.560   28.942 -12.43872 40.36877 
1 1 1  -23    3   12 o  290.378   19.466  168.718   22.040  173.195   30.845  164.048   31.503  294.489   26.840  286.266   28.200 8.223267 38.93107 
1 1 1  -23    3   13 o  324.454   25.605  215.602   32.265  204.883   47.175  225.024   44.227  316.021   38.253  332.886   34.046 -16.86514 51.20921 
1 1 1  -23    3   14 o  150.601   25.698   48.530   15.003   41.176   21.756   55.196   20.716  139.203   38.668  161.999   33.859 -22.79625 51.39687 
1 1 1  -23    3   15 o  107.381   25.373   22.024   12.423   27.552   19.125   17.990   16.340  116.309   37.246   98.453   34.466 17.85545 50.74627 
1 1 1  -23    3   16 o  326.280   19.859  214.798   25.166  240.029   35.802  190.156   35.382  345.803   26.531  306.757   29.557 39.04623 39.71737 
1 1 1  -23    3   17 o  291.272   20.493  171.720   23.241  183.303   32.719  159.925   33.018  301.603   27.799  280.941   30.116 20.66147 40.98512 
1 1 1  -23    3   18 f  208.234   22.295   88.387   18.113   88.306   25.869   88.466   25.370  208.045   31.863  208.423   31.192 -0.3783264 44.58945 
1 1 1  -23    3   19 o  286.645   20.777  167.064   23.240  166.160   32.681  167.990   33.055  285.896   29.292  287.394   29.473 -1.498505 41.55352 
1 1 1  -23    3   20 o  402.814   32.215  352.911   50.164  357.453   67.017  347.123   75.651  408.832   42.006  396.797   48.855 12.03537 64.43096 
1 1 1  -23    3   21 o  114.100   27.614   26.634   15.098   18.013   23.402   32.780   19.761  104.837   40.429  123.363   37.626 -18.52560 55.22870 
1 1 1  -23    3   22 o  206.463   27.533   94.438   21.407   71.411   30.695  116.246   29.871  176.894   44.504  236.031   32.431 -59.13762 55.06640 
1 1 1  -23    3   23 o  225.016   25.145  107.405   22.009  107.285   32.377  107.507   30.009  224.147   37.015  225.885   34.043 -1.738495 50.28946 
1 1 1  -23    3   24 o  194.348   32.003   84.786   23.267   96.937   38.009   77.504   29.424  203.340   48.567  185.355   41.689 17.98579 64.00538 
1 1 1  -23    3   25 o  122.397   30.020   32.159   17.627   23.596   28.879   37.243   22.253  115.222   44.777  129.572   39.999 -14.35024 60.04092 
1 1 1  -23    3   26 o  422.082   23.391  377.257   38.516  386.787   54.422  367.692   54.519  427.910   32.590  416.253   33.563 11.65680 46.78226 
1 1 1  -23    4    1 o  524.075   22.723  544.494   43.993  539.404   54.039  554.496   75.758  522.142   26.521  526.008   36.906 -3.865967 45.44696 
1 1 1  -23    4    2 o  537.800   22.939  574.130   45.554  569.568   55.954  583.096   78.452  536.437   26.729  539.163   37.287 -2.726013 45.87715 
1 1 1  -23    4    3 o  351.793   18.047  244.081   24.723  235.609   33.672  253.989   36.416  345.283   24.990  358.302   26.044 -13.01917 36.09428 
1 1 1  -23    4    4 o  202.356   19.023   80.801   14.977   72.569   20.546   90.134   21.877  191.331   27.517  213.381   26.272 -22.04956 38.04529 
1 1 1  -23    4    5 o  384.958   18.229  293.408   27.352  294.641   37.812  292.055   39.614  385.949   25.105  383.967   26.437 1.981506 36.45827 
1 1 1  -23    4    6 o  357.302   17.980  250.310   24.943  221.630   33.507  285.954   37.354  334.521   25.667  380.082   25.184 -45.56094 35.95918 
1 1 1  -23    4    7 o  331.714   18.086  217.739   23.376  212.456   32.027  223.762   34.196  327.518   25.058  335.910   26.087 -8.392731 36.17241 
1 1 1  -23    4    8 o  264.254   29.006  130.366   27.867  102.862   33.562  191.420   50.005  222.039   40.214  306.470   41.811 -84.43053 58.01154 
1 1 1  -23    4    9 o  331.776   18.480  217.833   23.874  200.903   32.611  237.384   35.046  317.909   26.286  345.643   25.982 -27.73404 36.96007 
1 1 1  -23    4   10 o  425.887   27.743  406.150   40.334  468.206   49.312  280.721   70.107  485.081   26.050  366.693   48.992 118.3877 55.48695 
1 1 1  -23    4   11 o  395.489   18.837  312.186   29.042  317.160   40.382  306.857   41.798  398.979   25.936  392.000   27.324 6.978821 37.67310 
1 1 1  -23    4   12 o  148.852   25.497   45.707   14.949   64.000   22.357   30.914   20.105  175.031   33.957  122.674   38.044 52.35700 50.99397 
1 1 1  -23    4   13 o  262.336   27.921  145.536   27.285  129.405   41.364  157.962   36.304  245.693   44.792  278.979   33.347 -33.28627 55.84190 
1 1 1  -23    4   14 o  181.173   24.163   68.706   16.445   71.822   23.845   65.879   22.710  185.146   34.265  177.200   34.079 7.946381 48.32686 
1 1 1  -23    4   15 f  250.705   22.442  129.141   21.578  138.592   28.738  116.926   32.671  262.410   28.063  238.999   35.029 23.41072 44.88418 
1 1 1  -23    4   16 o  249.404   21.148  125.772   20.557  117.366   28.712  134.613   29.444  240.659   30.573  258.148   29.228 -17.48900 42.29639 
1 1 1  -23    4   17 o  168.124   26.298   60.441   17.348   41.373   24.673   79.087   24.398  139.150   41.954  197.098   31.721 -57.94855 52.59613 
1 1 1  -23    4   18 o  281.650   20.776  160.935   22.828  161.406   31.915  160.442   32.664  282.218   28.979  281.082   29.779 1.135986 41.55204 
1 1 1  -23    4   19 o  400.664   29.602  336.477   38.915  332.949   44.444  348.069   80.561  405.121   28.112  396.208   52.104 8.913025 59.20386 
1 1 1  -23    4   20 o  196.046   42.273   76.820   32.496   53.999   37.792  141.557   63.652  155.424   52.487  236.669   66.282 -81.24481 84.54677 
1 1 1  -23    4   21 o  287.444   22.143  170.742   24.813  161.977   34.240  180.435   36.009  279.659   31.374  295.228   31.255 -15.56845 44.28586 
1 1 1  -23    4   22 o  155.421   29.599   54.690   18.289   52.100   27.895   56.643   24.222  151.363   44.361  159.480   39.197 -8.116974 59.19752 
1 1 1  -23    4   23 o  120.748   28.915   31.033   16.978   16.053   26.957   40.883   21.858  105.851   42.581  135.645   39.130 -29.79400 57.82990 
1 1 1  -23    4   24 o  183.760   32.621   76.939   22.574   83.230   38.288   73.587   27.949  186.462   51.101  181.058   40.562 5.404205 65.24297 
1 1 1  -23    4   25 o  360.987   23.202  274.267   32.613  251.369   45.482  298.501   46.790  344.664   33.815  377.310   31.778 -32.64645 46.40389 
1 1 1  -23    4   26 o  294.919   26.179  189.102   29.661  153.670   41.769  225.146   42.128  264.000   40.543  325.839   33.131 -61.83942 52.35843 
1 1 1  -23    5    1 o  269.023   24.769  143.041   26.003  143.041   26.003   0.0000   0.0000  269.023   24.769  ?   ?       ?      ? 
1 1 1  -23    5    2 o  343.072   18.299  233.228   24.396  236.447   33.157  229.429   36.021  345.895   24.564  340.249   27.129 5.645813 36.59748 
1 1 1  -23    5    3 o  315.155   18.382  196.469   22.525  194.660   30.518  198.634   33.385  313.746   24.926  316.563   27.025 -2.816589 36.76451 
1 1 1  -23    5    4 o  309.638   18.395  189.347   22.167  182.802   30.069  197.139   32.809  303.910   25.353  315.366   26.659 -11.45642 36.78989 
1 1 1  -23    5    5 o  699.609   21.321  974.574   58.172  960.300   80.620  990.077   84.021  694.460   29.748  704.758   30.550 -10.29846 42.64125 
1 1 1  -23    5    6 o   63.053   17.454   2.3886   7.1952 -14.2451   12.563   10.507   8.7772   50.916   24.056   75.189   25.295 -24.27300 34.90722 
1 1 1  -23    5    7 o  639.778   26.243  812.157   59.583  792.133   70.530  862.071  111.354  630.612   28.660  648.943   43.971 -18.33026 52.48684 
1 1 1  -23    5    8 o  217.318   24.815  100.462   19.417   82.127   31.147  112.117   24.833  197.210   41.772  237.426   26.802 -40.21634 49.63076 
1 1 1  -23    5    9 o  439.228   18.755  384.070   32.126  385.318   44.685  382.736   46.221  440.131   26.017  438.326   27.021 1.805237 37.51036 
1 1 1  -23    5   10 o  199.523   34.625   80.641   21.565   78.953   23.541   89.448   53.773  198.357   30.413  200.689   62.214 -2.331863 69.25002 
1 1 1  -23    5   11 o  460.128   19.628  419.569   35.059  384.638   46.755  464.437   52.989  438.638   27.315  481.618   28.194 -42.98096 39.25524 
1 1 1  -23    5   12 o   92.050   32.132   15.526   14.196   0.0000   0.0000   15.526   14.196  ?   ?    92.050   32.132      ?      ? 
1 1 1  -23    5   13 o  261.448   26.410  137.674   26.353  153.028   42.732  128.252   33.476  271.935   40.268  250.960   34.182 20.97481 52.81961 
1 1 1  -23    5   14 o  400.099   19.883  315.947   30.750  273.568   40.377  374.460   47.445  368.789   28.056  431.409   28.182 -62.62003 39.76657 
1 1 1  -23    5   15 o  359.504   21.924  256.717   29.863  240.895   37.489  284.190   49.399  345.994   27.765  373.015   33.936 -27.02118 43.84705 
1 1 1  -23    5   16 o  467.609   20.565  439.719   37.336  422.291   49.954  461.775   56.197  457.766   27.964  477.451   30.161 -19.68500 41.13007 
1 1 1  -23    5   17 o  408.439   20.467  336.398   32.495  325.145   43.774  350.212   48.499  401.350   27.949  415.529   29.909 -14.17908 40.93497 
1 1 1  -23    5   18 o  381.856   20.266  293.644   30.099  268.661   40.688  323.840   44.732  364.047   28.640  399.665   28.681 -35.61877 40.53208 
1 1 1  -23    5   19 f  162.971   38.944   7.9005   26.926 -19.4533   29.434  148.157   66.651   83.016   38.423  242.926   67.752 -159.9099 77.88850 
1 1 1  -23    5   20 o  319.150   21.309  209.135   26.527  202.616   36.851  216.148   38.217  314.027   30.071  324.273   30.201 -10.24603 42.61865 
1 1 1  -23    5   21 o  124.740   28.522   31.584   15.389   42.276   25.709   25.614   19.210  138.081   43.053  111.398   37.422 26.68279 57.04377 
1 1 1  -23    5   22 o  166.551   28.619   63.768   20.039   33.036   29.736   89.337   27.123  126.944   46.256  206.159   33.713 -79.21545 57.23818 
1 1 1  -23    5   23 o  493.450   21.713  506.623   41.777  523.037   58.671  489.741   59.500  502.322   29.930  484.578   31.464 17.74423 43.42603 
1 1 1  -23    5   24 o  236.842   31.434  123.389   27.324  137.517   46.050  115.713   33.944  241.522   50.484  232.163   37.466 9.359772 62.86824 
1 1 1  -23    5   25 o  204.316   29.923   99.588   23.298   62.566   35.299  128.161   31.011  161.777   50.449  246.855   32.192 -85.07765 59.84525 
1 1 1  -23    6    1 o  344.807   52.034  216.526   30.787  211.529   31.471  327.708  148.443  327.013   24.662  362.602  101.104 -35.58929 104.0682 
1 1 1  -23    6    2 o  386.626   24.674  294.346   32.477  288.711   37.528  311.156   64.816  381.902   25.181  391.350   42.441 -9.448334 49.34896 
1 1 1  -23    6    3 o  442.740   22.795  327.195   33.284  279.662   37.088  523.904   75.448  375.793   25.290  509.687   37.932 -133.8943 45.59023 
1 1 1  -23    6    4 o  462.503   26.081  448.885   41.702  473.452   49.612  389.728   76.986  488.644   26.017  436.361   45.210 52.28360 52.16140 
1 1 1  -23    6    5 o  145.069   19.510   42.251   10.685   61.567   15.981   26.631   14.370  176.459   23.207  113.679   31.369 62.77927 39.02008 
1 1 1  -23    6    6 o  251.933   31.286  123.044   22.607  118.367   24.699  147.191   56.124  244.188   25.919  259.678   56.952 -15.49077 62.57232 
1 1 1  -23    6    7 o  283.282   27.889  143.772   24.137  133.139   26.438  196.998   59.153  258.815   26.177  307.749   49.254 -48.93381 55.77822 
1 1 1  -23    6    8 o  348.867   22.972  245.828   30.571  238.895   48.201  250.493   39.541  343.579   35.950  354.155   28.610 -10.57639 45.94473 
1 1 1  -23    6    9 o  516.395   19.780  533.193   39.822  545.764   55.569  519.922   57.095  522.974   27.228  509.816   28.698 13.15784 39.55962 
1 1 1  -23    6   10 o  118.305   35.539  -1.2785   15.433  -5.2363   15.992   52.409   58.898   67.732   30.120  168.879   64.381 -101.1464 71.07847 
1 1 1  -23    6   11 o  300.610   20.337  182.103   23.737  190.968   32.536  172.014   34.709  308.966   26.985  292.255   30.434 16.71103 40.67408 
1 1 1  -23    6   12 o  399.770   35.216  326.046   54.940   0.0000   0.0000  326.046   54.940  ?   ?   399.770   35.216      ?      ? 
1 1 1  -23    6   13 o  185.477   30.112   70.912   20.084   84.278   36.342   65.034   24.099  195.723   47.957  175.232   36.430 20.49054 60.22442 
1 1 1  -23    6   14 o   97.935   23.917   15.009   11.000   28.496   18.701   7.8741   13.603  117.596   36.729   78.274   30.645 39.32191 47.83387 
1 1 1  -23    6   15 o  400.957   20.340  322.108   31.638  304.398   42.093  345.105   47.966  388.844   27.740  413.071   29.756 -24.22711 40.68063 
1 1 1  -23    6   16 o   93.485   23.871   14.814   11.954  -0.8865   20.157   23.332   14.847   80.461   34.843  106.509   32.638 -26.04758 47.74150 
1 1 1  -23    6   17 o  104.551   25.474   21.316   12.741   13.488   20.919   25.932   16.063   97.421   38.041  111.681   33.892 -14.26046 50.94875 
1 1 1  -23    6   18 o  293.431   21.951  174.549   25.029  158.456   33.626  194.541   37.479  278.435   30.947  308.427   31.139 -29.99255 43.90125 
1 1 1  -23    6   19 o  155.219   40.486   11.560   24.625  -5.2079   26.316  129.621   69.829   87.096   38.689  223.342   71.132 -136.2463 80.97285 
1 1 1  -23    6   20 o  383.702   20.946  301.196   31.285  280.270   42.483  325.990   46.242  369.308   29.478  398.095   29.766 -28.78763 41.89222 
1 1 1  -23    6   21 o   81.285   24.457   2.9445   11.696   8.0928   24.281   1.3892   13.346   94.718   39.504   67.852   28.847 26.86618 48.91491 
1 1 1  -23    6   22 o   73.076   23.268  -8.4684   10.143   10.532   25.472 -12.0487   11.057   98.521   40.722   47.632   22.523 50.88917 46.53572 
1 1 1  -23    6   23 o  149.105   32.874   51.285   19.630   42.788   41.855   53.682   22.227  142.462   54.282  155.748   37.099 -13.28551 65.74844 
1 1 1  -23    6   24 o  216.020   30.130  106.494   24.476   91.307   37.295  117.985   32.440  196.557   48.838  235.484   35.301 -38.92627 60.26011 
1 1 1  -23    6   25 f  304.482   25.424  200.555   29.856  180.208   43.910  218.050   40.716  287.437   39.146  321.526   32.450 -34.08905 50.84718 
1 1 1  -23    7    1 o  128.679   34.586   20.677   12.264   19.908   12.561   36.386   56.764   99.408   29.926  157.950   62.363 -58.54204 69.17199 
1 1 1  -23    7    2 o  158.580   34.356   51.580   16.807   53.329   17.580   32.982   57.314  161.335   28.989  155.825   62.298 5.509842 68.71201 
1 1 1  -23    7    3 o  133.415   34.048   6.0833   11.158   2.4531   11.403   87.817   54.108   65.743   27.216  201.087   62.420 -135.3437 68.09515 
1 1 1  -23    7    4 o  648.690   26.130  817.466   59.837  775.648   70.164  928.999  114.587  623.798   28.823  673.583   43.593 -49.78467 52.25962 
1 1 1  -23    7    5 o  459.245   24.428  361.525   36.716  316.201   40.875  550.857   83.541  398.879   26.259  519.610   41.200 -120.7309 48.85646 
1 1 1  -23    7    6 o  231.924   32.913   75.232   19.170   65.014   20.109  177.060   63.481  180.487   28.550  283.360   59.312 -102.8723 65.82513 
1 1 1  -23    7    7 o  845.511   51.687  1504.43  170.542   0.0000   0.0000  1504.43  170.542  ?   ?   845.511   51.687      ?      ? 
1 1 1  -23    7    8 o  505.582   20.072  512.312   39.505  544.553   55.357  478.852   56.394  522.349   27.157  488.815   29.563 33.53375 40.14341 
1 1 1  -23    7    9 o  411.290   19.788  339.077   31.665  346.552   43.442  330.605   46.250  416.587   26.722  405.992   29.192 10.59488 39.57602 
1 1 1  -23    7   10 o  265.917   40.080  191.021   30.961  207.744   33.649   98.697   79.063  322.320   26.752  209.514   75.565 112.8058 80.16035 
1 1 1  -23    7   11 o  109.175   26.543   23.064   15.387 -24.0677   33.546   35.622   17.316   88.318   40.927  130.031   33.809 -41.71291 53.08520 
1 1 1  -23    7   12 o  185.576   25.221   70.923   17.717   44.774   23.787  103.501   26.551  144.726   40.514  226.426   30.048 -81.70009 50.44118 
1 1 1  -23    7   13 o  452.774   25.287  426.194   42.715  398.152   70.128  442.735   53.858  437.242   41.099  468.306   29.471 -31.06345 50.57355 
1 1 1  -23    7   14 f  190.412   23.402   74.891   16.855   89.597   24.469   61.611   23.252  210.495   29.788  170.330   36.102 40.16426 46.80487 
1 1 1  -23    7   15 o  197.598   25.799   82.603   19.160   81.646   26.921   83.586   27.276  196.420   36.464  198.777   36.508 -2.356796 51.59842 
1 1 1  -23    7   16 o  185.427   24.263   71.796   17.130   69.816   25.115   73.518   23.423  180.929   36.824  189.924   31.603 -8.995438 48.52584 
1 1 1  -23    7   17 o  276.529   21.589  156.524   23.184  168.522   32.217  143.637   33.390  288.278   28.638  264.780   32.315 23.49817 43.17836 
1 1 1  -23    7   18 o  285.015   41.435  174.179   31.493  168.439   33.748  212.872   87.617  287.051   30.127  282.978   77.199 4.073608 82.86959 
1 1 1  -23    7   19 o  267.035   28.217  158.742   27.142  130.380   42.893  177.683   35.052  240.235   47.437  293.835   30.569 -53.60007 56.43323 
1 1 1  -23    7   20 o  126.276   26.877   29.435   14.268   53.926   24.752   17.247   17.461  155.465   40.422   97.086   35.435 58.37850 53.75454 
1 1 1  -23    7   21 o  224.951   23.820  105.528   20.765  113.009   31.634   99.863   27.527  231.240   35.055  218.663   32.259 12.57640 47.63920 
1 1 1  -23    7   22 o   97.426   25.279   16.502   13.984 -12.5724   26.460   27.771   16.473   81.196   37.160  113.656   34.284 -32.46037 50.55901 
1 1 1  -23    7   23 o  523.016   30.393  606.256   61.631  562.038   89.603  645.959   84.904  500.630   45.864  545.401   39.892 -44.77042 60.78550 
1 1 1  -23    7   24 o  313.718   24.134  205.240   29.277  246.998   44.503  173.378   38.873  341.963   33.348  285.473   34.894 56.48987 48.26731 
1 1 1  -23    7   25 o  127.782   30.283   37.667   19.231   6.5726   36.271   49.828   22.682  107.090   46.557  148.473   38.739 -41.38195 60.56574 
1 1 1  -23    8    1 o  663.730   27.794  838.073   62.125  785.671   70.773  1014.07  129.699  627.524   28.900  699.936   47.484 -72.41199 55.58749 
1 1 1  -23    8    2 o  284.726   35.365  171.611   27.087  171.701   29.382  171.103   69.924  294.024   25.607  275.429   65.932 18.59445 70.73048 
1 1 1  -23    8    3 o  303.837   32.180  181.577   27.415  176.090   29.895  210.602   68.753  297.685   25.734  309.988   58.990 -12.30331 64.35902 
1 1 1  -23    8    4 o  383.869   29.426  302.039   35.197  302.401   39.455  300.630   77.891  389.959   25.927  377.780   52.834 12.17917 58.85291 
1 1 1  -23    8    5 o  355.744   29.048  177.105   26.321  156.010   27.581  392.286   88.089  280.152   25.228  431.336   52.333 -151.1840 58.09628 
1 1 1  -23    8    6 o  231.422   38.521  108.981   23.615  107.210   25.008  123.571   71.760  231.706   27.657  231.139   71.906 0.5666962 77.04152 
1 1 1  -23    8    7 o  134.609   37.472   27.044   18.756   28.080   19.504   14.309   68.400  117.948   37.596  151.270   64.831 -33.32141 74.94311 
1 1 1  -23    8    8 o  237.541   39.163  152.208   28.321  165.205   30.379   65.921   78.274  287.466   27.081  187.616   73.495 99.84979 78.32504 
1 1 1  -23    8    9 o  381.217   37.692  334.856   39.557  347.430   43.840  279.772   91.759  416.675   26.962  345.759   70.398 70.91608 75.38422 
1 1 1  -23    8   10 o  255.562   48.034  142.436   42.240  133.253   47.531  176.934   92.122  246.085   51.163  265.039   81.311 -18.95337 96.06815 
1 1 1  -23    8   11 o  212.894   24.162   92.648   19.474   77.841   26.290  110.652   28.987  192.146   36.393  233.642   31.793 -41.49510 48.32409 
1 1 1  -23    8   12 f  383.933   22.127  300.881   32.228  308.404   41.381  289.283   51.380  391.894   27.058  375.973   35.019 15.92148 44.25484 
1 1 1  -23    8   13 o  508.747   30.830  524.636   61.208   0.0000   0.0000  524.636   61.208  ?   ?   508.747   30.830      ?      ? 
1 1 1  -23    8   14 o  552.165   21.576  618.188   46.215  617.994   62.117  618.428   69.164  553.222   28.773  551.107   32.160 2.115417 43.15241 
1 1 1  -23    8   15 f  246.599   22.699  125.319   21.496  148.561   30.223  101.525   30.580  271.101   28.568  222.096   35.282 49.00423 45.39790 
1 1 1  -23    8   16 o  121.518   24.430   25.839   12.243   50.643   21.385   13.745   14.932  153.597   36.259   89.439   32.750 64.15814 48.85952 
1 1 1  -23    8   17 o   95.753   24.375   14.808   10.947   23.378   19.781   11.024   13.143  109.346   37.943   82.161   30.609 27.18570 48.74987 
1 1 1  -23    8   18 o  119.965   36.366   17.704   24.056   26.043   25.195 -68.2657   80.900  116.821   42.576  123.109   58.967 -6.287666 72.73164 
1 1 1  -23    8   19 o  146.296   27.257   49.289   16.612   28.160   25.764   64.324   21.733  119.326   43.121  173.266   33.353 -53.93977 54.51411 
1 1 1  -23    8   20 o  183.991   28.074   73.730   19.422   86.936   29.969   64.167   25.503  198.021   40.156  169.962   39.244 28.05975 56.14780 
1 1 1  -23    8   21 o  420.914   21.914  368.808   35.966  379.082   50.416  358.161   51.323  427.530   30.218  414.297   31.744 13.23260 43.82733 
1 1 1  -23    8   22 o  162.158   35.916   54.859   20.383   73.225   51.761   51.488   22.175  172.003   61.238  152.313   37.546 19.68951 71.83173 
1 1 1  -23    8   23 o   93.286   27.063   11.408   13.923  -2.1823   31.841   14.621   15.482   96.250   42.666   90.323   33.306 5.927048 54.12606 
1 1 1  -23    8   24 o  292.419   25.854  184.450   29.367  175.259   42.794  192.631   40.373  283.943   38.621  300.896   34.383 -16.95261 51.70825 
1 1 1  -23    9    1 o  240.042   36.924   64.262   18.849   54.584   19.395  229.139   80.049  162.228   31.772  317.857   66.663 -155.6285 73.84761 
1 1 1  -23    9    2 o  282.576   37.482  126.837   24.117  117.153   25.131  239.589   85.752  242.462   26.561  322.691   70.102 -80.22870 74.96490 
1 1 1  -23    9    3 o  455.357   62.765  457.615   48.289  452.109   49.530  563.408  217.112  476.194   26.653  434.521  122.668 41.67218 125.5306 
1 1 1  -23    9    4 o  575.756   31.554  541.896   49.380  492.541   52.488  921.971  145.657  496.734   27.077  654.778   57.004 -158.0443 63.10812 
1 1 1  -23    9    5 o  391.127   33.019  308.503   37.109  303.217   40.507  336.099   92.557  389.762   26.632  392.493   60.429 -2.731079 66.03747 
1 1 1  -23    9    6 f  640.835   51.450  872.317  128.666   0.0000   0.0000  872.317  128.666  ?   ?   640.835   51.450      ?      ? 
1 1 1  -23    9    7 o  335.442   36.242  214.523   32.308  203.727   34.700  284.831   88.554  318.845   27.888  352.038   66.905 -33.19278 72.48461 
1 1 1  -23    9    8 o  227.007   41.606   85.880   22.817   79.971   23.713  159.636   83.781  199.129   30.515  254.885   77.414 -55.75566 83.21117 
1 1 1  -23    9    9 o  417.939   38.622  382.014   58.550  389.170   71.628  367.606  101.641  432.215   42.467  403.663   64.524 28.55197 77.24483 
1 1 1  -23    9   10 o  544.025   55.678  647.058  118.204   0.0000   0.0000  647.058  118.204  ?   ?   544.025   55.678      ?      ? 
1 1 1  -23    9   11 o  329.181   64.704  184.070   32.946  177.400   33.326  471.696  218.848  296.645   28.788  361.716  126.165 -65.07123 129.4077 
1 1 1  -23    9   12 o  439.998   35.883  400.429   44.552  392.766   48.482  442.032  112.958  441.557   28.136  438.438   66.020 3.119659 71.76567 
1 1 1  -23    9   13 o  317.575   47.088  237.558   44.210  238.331   48.589  233.839  106.565  340.021   36.618  295.128   86.765 44.89288 94.17592 
1 1 1  -23    9   14 o   96.629   35.830 -18.2574   14.666 -16.6025   14.801 -107.1878  108.501   54.919   25.997  138.338   66.779 -83.41876 71.66042 
1 1 1  -23    9   15 o  118.267   26.001   29.639   13.779   17.557   21.818   37.654   17.771  103.640   39.263  132.893   34.098 -29.25354 52.00207 
1 1 1  -23    9   16 o  109.884   24.948   22.147   11.909   35.367   20.142   15.040   14.767  128.553   37.700   91.215   32.684 37.33893 49.89564 
1 1 1  -23    9   17 o  160.882   44.328   36.883   21.116   33.973   21.665   92.189   94.440  126.143   39.553  195.622   79.345 -69.47906 88.65673 
1 1 1  -23    9   18 o  253.521   27.171  140.980   25.228  122.456   39.362  153.895   32.867  233.970   44.741  273.072   30.843 -39.10207 54.34147 
1 1 1  -23    9   19 o  329.134   21.996  224.215   28.200  206.352   38.988  243.814   40.838  315.032   31.714  343.237   30.489 -28.20523 43.99238 
1 1 1  -23    9   20 o  162.822   27.159   62.242   18.809   25.018   28.706   90.249   24.899  117.147   44.877  208.498   30.602 -91.35117 54.31821 
1 1 1  -23    9   21 o  376.656   22.669  296.424   33.295  291.586   46.061  301.719   48.182  373.816   31.575  379.496   32.535 -5.680603 45.33754 
1 1 1  -23    9   22 o  185.649   34.568   93.731   26.710   32.116   57.995  110.320   30.092  142.606   60.356  228.692   33.718 -86.08569 69.13589 
1 1 1  -23    9   23 f  298.175   23.708  186.516   27.253  197.822   42.366  178.535   35.595  304.296   35.677  292.055   31.232 12.24146 47.41576 
1 1 1  -23    9   24 o  196.077   30.333   88.348   21.997   83.732   37.493   90.770   27.163  185.603   50.445  206.551   33.699 -20.94814 60.66508 
1 1 1  -23   10    1 o  394.112   34.250  268.164   34.943  250.430   36.977  416.182  106.828  354.081   26.761  434.142   63.055 -80.06094 68.49900 
1 1 1  -23   10    2 o  363.736   26.435  264.177   37.523  264.177   37.523   0.0000   0.0000  363.736   26.435  ?   ?       ?      ? 
1 1 1  -23   10    3 o  727.626   31.174  1067.09   88.518  1067.09   88.518   0.0000   0.0000  727.626   31.174  ?   ?       ?      ? 
1 1 1  -23   10    4 o  270.967   39.079   85.881   21.286   75.429   21.836  285.701   95.473  193.843   28.866  348.091   72.633 -154.2482 78.15843 
1 1 1  -23   10    5 o  617.173   62.283  845.272  150.005   0.0000   0.0000  845.272  150.005  ?   ?   617.173   62.283      ?      ? 
1 1 1  -23   10    6 o  226.130   45.515  105.004   26.014  104.139   26.855  118.169  104.773  227.267   30.280  224.994   85.845 2.272766 91.02926 
1 1 1  -23   10    7 o  219.028   48.380  113.653   27.875  117.312   28.235 -26.9773  175.037  241.171   30.001  196.884   91.992 44.28702 96.76047 
1 1 1  -23   10    8 o  353.962   49.436  270.903   55.771  252.735   62.724  339.487  121.868  345.800   46.481  362.125   87.266 -16.32587 98.87294 
1 1 1  -23   10    9 o  164.065   48.668   16.278   38.426   1.7763   41.533  102.488  101.264  115.144   49.938  212.985   83.548 -97.84045 97.33528 
1 1 1  -23   10   10 o  168.848   53.917   22.899   18.218   21.932   18.316  112.152  176.044  106.641   36.537  231.054  101.456 -124.4127 107.8349 
1 1 1  -23   10   11 o  196.069   43.717   74.769   22.864   74.326   23.486   82.789   99.992  191.306   31.459  200.833   81.578 -9.526779 87.43380 
1 1 1  -23   10   12 o  262.940   44.983  175.746   31.285  180.399   32.836  129.970  102.999  299.081   28.134  226.799   85.453 72.28102 89.96518 
1 1 1  -23   10   13 o  157.602   43.606   40.717   23.225   40.911   23.896   37.405   98.690  138.232   41.201  176.973   76.867 -38.74014 87.21246 
1 1 1  -23   10   14 o  281.123   45.103  199.090   33.593  203.436   35.647  164.597  100.428  316.811   28.833  245.435   85.474 71.37604 90.20624 
1 1 1  -23   10   15 o  186.314   43.707   70.520   24.620   69.807   25.495   80.381   94.795  180.058   37.502  192.570   78.961 -12.51105 87.41444 
1 1 1  -23   10   16 o  143.954   38.815   45.281   22.302   45.281   22.302   0.0000   0.0000  143.954   38.815  ?   ?       ?      ? 
1 1 1  -23   10   17 o  291.536   45.733  208.180   41.538  206.806   46.005  214.245   96.638  312.482   37.727  270.590   83.324 41.89191 91.46690 
1 1 1  -23   10   18 o  341.360   44.376  264.381   38.893  256.446   41.715  317.142  107.570  352.215   30.349  330.506   83.402 21.70911 88.75208 
1 1 1  -23   10   19 o  193.493   44.675   80.159   27.441   76.426   28.764  117.976   91.544  184.753   40.970  202.234   79.403 -17.48036 89.34986 
1 1 1  -23   10   20 o  123.133   27.122   34.060   15.477   14.328   25.810   45.140   19.341  102.740   41.546  143.526   34.874 -40.78606 54.24313 
1 1 1  -23   10   21 o  256.595   37.121  149.441   30.770  166.889   65.509  144.502   34.854  251.613   65.925  261.576   34.144 -9.962891 74.24200 
1 1 1  -23   10   22 o   83.149   22.538   6.4729   12.766 -56.5234   28.706   22.003   14.253   64.121   31.655  102.177   32.089 -38.05599 45.07507 
1 1 1  -23   10   23 o  167.362   30.434   66.692   19.570   55.786   34.050   72.072   23.915  153.354   49.759  181.371   35.057 -28.01750 60.86831 
1 1 1  -23   11    1 o  237.649   26.618  113.034   24.685  113.034   24.685   0.0000   0.0000  237.649   26.618  ?   ?       ?      ? 
1 1 1  -23   11    2 o  384.801   43.905  334.378   41.181  335.660   44.111  325.680  114.919  409.092   27.631  360.510   83.350 48.58221 87.81080 
1 1 1  -23   11    3 o  201.619   39.480  107.002   25.963  115.345   26.932  -2.7911   97.697  239.488   28.817  163.750   73.514 75.73775 78.96075 
1 1 1  -23   11    4 f  611.658   71.014  868.113  169.507   0.0000   0.0000  868.113  169.507  ?   ?   611.658   71.014      ?      ? 
1 1 1  -23   11    5 o  255.617   45.333  123.701   26.241  119.226   27.155  186.849  102.001  243.424   28.586  267.810   86.042 -24.38545 90.66599 
1 1 1  -23   11    6 o  380.095   48.359  367.223   44.659  379.205   47.923  288.136  123.119  434.139   28.287  326.051   92.490 108.0876 96.71856 
1 1 1  -23   11    7 o  411.366   48.346  367.388   65.816  339.824   75.686  452.886  133.296  399.049   48.602  423.682   83.589 -24.63281 96.69203 
1 1 1  -23   11    8 o  105.269   38.108  -4.8514   12.327  -4.0363   12.402 -71.5505  112.189   59.711   26.540  150.827   71.446 -91.11600 76.21664 
1 1 1  -23   11    9 o   92.365   34.458   13.905   16.668   13.905   16.668   0.0000   0.0000   92.365   34.458  ?   ?       ?      ? 
1 1 1  -23   11   10 o  187.629   55.583   42.408   21.175   41.316   21.309  128.723  189.389  139.016   38.132  236.242  104.421 -97.22629 111.1655 
1 1 1  -23   11   11 f  267.977   56.263  173.730   33.795  174.350   34.240  150.295  210.369  293.315   29.913  242.639  108.476 50.67589 112.5252 
1 1 1  -23   11   12 o  270.055   62.624  190.473   60.921  189.527   63.805  200.237  204.968  286.495   59.033  253.614  110.464 32.88121 125.2484 
1 1 1  -23   11   13 o  332.026   51.847  238.746   44.462  227.594   47.138  328.662  133.853  331.255   36.465  332.797   97.071 -1.541382 103.6946 
1 1 1  -23   11   14 o  111.067   39.344  -6.5090   14.273  -6.4692   14.406  -8.6301  105.108   62.165   28.040  159.969   73.523 -97.80452 78.68849 
1 1 1  -23   11   15 o  181.015   49.473   23.496   18.405   18.662   18.640  211.600  116.283  100.977   36.649  261.054   91.909 -160.0776 98.94680 
1 1 1  -23   11   16 o  155.967   43.796   24.801   20.295   19.458   20.865  118.550   87.404  104.046   38.606  207.888   78.625 -103.8418 87.59196 
1 1 1  -23   11   17 o  296.023   48.043  225.940   53.518  222.969   68.996  230.428   84.796  301.423   60.755  290.623   74.439 10.79944 96.08508 
1 1 1  -23   11   18 o  153.882   40.439   42.173   22.713   38.199   24.016   75.838   69.897  131.683   41.692  176.081   69.304 -44.39816 80.87767 
1 1 1  -23   11   19 o  429.244   39.447  487.124   51.110  565.843   61.195  305.571   92.935  522.460   30.015  336.028   72.962 186.4320 78.89476 
1 1 1  -23   11   20 o  291.128   43.777  224.696   53.905  361.445   76.507   89.889   75.962  397.771   49.287  184.485   72.364 213.2857 87.55416 
1 1 1  -23   11   21 o  291.754   50.809  289.590   46.843  298.598   48.382  154.804  187.157  376.648   32.917  206.860   96.139 169.7872 101.6181 
1 1 1  -23   11   22 o  329.878   36.534  276.586   39.916  318.519   49.116  195.011   68.504  388.765   32.374  270.991   65.503 117.7743 73.06705 
1 1 1  -23   12    1 o  315.874   43.877  195.757   30.994  188.811   32.398  270.714  106.434  306.713   27.068  325.035   83.475 -18.32193 87.75407 
1 1 1  -23   12    2 o  269.592   45.657  145.363   28.595  140.955   29.746  199.036  103.805  264.498   28.819  274.686   86.647 -10.18829 91.31391 
1 1 1  -23   12    3 o  637.568   64.541  923.777  160.580   0.0000   0.0000  923.777  160.580  ?   ?   637.568   64.541      ?      ? 
1 1 1  -23   12    4 o  509.781   35.558  495.993   50.258  470.794   54.075  655.815  136.185  483.348   28.668  536.215   65.081 -52.86737 71.11590 
1 1 1  -23   12    5 o  378.080   50.113  406.177   47.235  432.326   50.878  242.962  127.112  463.378   28.136  292.782   96.196 170.5952 100.2263 
1 1 1  -23   12    6 o  507.450   42.087  537.846   76.036  486.615   89.267  673.276  145.137  477.577   47.898  537.324   69.217 -59.74701 84.17313 
1 1 1  -23   12    7 o  124.844   39.208   17.559   16.558   19.657   16.755 -70.2610  108.396  101.507   34.937  148.181   70.203 -46.67337 78.41576 
1 1 1  -23   12    8 o  295.276   61.636  161.087   33.655  155.611   34.136  351.276  201.178  276.662   31.618  313.891  119.148 -37.22830 123.2720 
1 1 1  -23   12    9 o  108.473   36.142   23.373   17.920   23.373   17.920   0.0000   0.0000  108.473   36.142  ?   ?       ?      ? 
1 1 1  -23   12   10 o  296.143   57.160  215.061   60.776  201.178   69.336  261.104  126.269  292.924   62.557  299.362   95.685 -6.438660 114.3197 
1 1 1  -23   12   11 o  253.596   48.525  158.563   30.884  160.109   31.791  132.630  130.239  281.048   28.986  226.144   92.621 54.90474 97.05051 
1 1 1  -23   12   12 o  145.218   47.765  -9.5948   49.983  -7.3980   54.576 -21.0232  124.479  122.802   55.051  167.633   78.073 -44.83070 95.53043 
1 1 1  -23   12   13 o  189.897   58.405   36.534   20.423   34.548   20.524  236.333  205.890  127.096   38.252  252.698  110.370 -125.6013 116.8108 
1 1 1  -23   12   14 o  157.669   42.858   49.711   22.233   52.832   22.502 -78.6880  144.328  155.616   37.496  159.723   77.080 -4.106644 85.71677 
1 1 1  -23   12   15 o  163.968   44.901   45.369   23.476   43.345   24.129   81.261  101.617  140.029   41.320  187.908   79.731 -47.87886 89.80231 
1 1 1  -23   12   16 o  240.983   43.076  149.961   32.553  153.194   34.963  128.903   89.228  270.757   33.090  211.209   79.544 59.54797 86.15201 
1 1 1  -23   12   17 o  249.010   42.240  105.338   27.280   90.617   28.713  241.876   87.445  203.604   37.520  294.417   75.691 -90.81314 84.47999 
1 1 1  -23   12   18 o  229.024   41.871  139.598   30.778  144.158   32.877  107.274   87.531  262.613   32.081  195.435   77.353 67.17795 83.74178 
1 1 1  -23   12   19 o  195.553   40.109  100.731   29.719  107.208   31.821   56.505   83.151  224.219   36.367  166.887   71.501 57.33202 80.21806 
1 1 1  -23   12   20 o  211.678   56.487  139.805   62.713  148.233   68.674   97.477  153.899  230.990   70.072  192.366   88.617 38.62378 112.9738 
1 1 1  -23   12   21 o  141.368   38.126   16.515   24.554  -1.5882   27.072  100.464   58.298   89.630   39.555  193.107   65.189 -103.4777 76.25112 
1 1 1  -23   13    1 o  264.792   53.357  136.615   30.440  132.754   31.123  221.748  146.149  255.798   31.178  273.787  102.057 -17.98857 106.7135 
1 1 1  -23   13    2 o  169.572   41.319   58.650   22.060   60.792   22.672   20.552   95.621  169.374   35.439  169.769   74.654 -0.3947449 82.63876 
1 1 1  -23   13    3 o  231.606   44.336  123.810   28.870  125.237   30.185  108.509   98.876  248.427   31.136  214.784   83.025 33.64240 88.67142 
1 1 1  -23   13    4 o  314.616   53.505  247.706   62.366  251.932   75.956  238.963  109.256  331.468   60.967  297.763   87.943 33.70468 107.0092 
1 1 1  -23   13    5 o  189.524   58.166   50.798   58.304   48.281   62.169   69.172  167.975  164.403   65.152  214.645   96.377 -50.24115 116.3327 
1 1 1  -23   13    6 o  148.427   47.209   24.978   16.963   25.758   17.048 -52.3245  169.699  111.985   35.082  184.869   87.658 -72.88417 94.41782 
1 1 1  -23   13    7 o  152.883   49.096   25.261   17.527   25.777   17.609 -29.9073  181.957  112.250   35.717  193.516   91.465 -81.26669 98.19113 
1 1 1  -23   13    8 o  150.385   49.019   23.599   17.355   24.229   17.428 -51.9165  190.777  109.442   35.603  191.328   91.346 -81.88545 98.03876 
1 1 1  -23   13    9 f  129.805   37.492   35.930   20.055   35.930   20.055   0.0000   0.0000  129.805   37.492  ?   ?       ?      ? 
1 1 1  -23   13   10 o  152.801   51.884   17.529   17.147   17.415   17.209   33.197  202.068   97.976   35.265  207.625   97.593 -109.6485 103.7689 
1 1 1  -23   13   11 o  153.176   49.710   26.469   18.404   27.007   18.480 -38.9486  203.778  114.227   36.615  192.126   92.432 -77.89941 99.41964 
1 1 1  -23   13   12 o  128.606   47.631 -147.9597   50.994 -157.3508   53.172 -40.3122  180.022   75.338   38.034  181.874   87.339 -106.5360 95.26101 
1 1 1  -23   13   13 o   99.225   35.271   18.632   17.164   18.632   17.164   0.0000   0.0000   99.225   35.271  ?   ?       ?      ? 
1 1 1  -23   13   14 o  186.051   42.113   82.260   28.184   83.860   29.911   69.590   84.172  194.626   40.691  177.475   73.745 17.15163 84.22607 
1 1 1  -23   13   15 o  178.522   41.976   63.260   24.844   58.173   26.357  103.778   74.390  160.771   41.668  196.273   72.881 -35.50166 83.95171 
1 1 1  -23   13   16 o  230.255   39.945  147.033   31.124  157.649   33.880   89.626   78.786  275.060   31.563  185.449   73.391 89.61055 79.89066 
1 1 1  -23   13   17 o  254.295   49.567  187.853   36.227  190.286   37.118  138.991  166.344  302.058   31.489  206.533   93.999 95.52455 99.13324 
1 1 1  -23   13   18 o  269.256   39.232  247.870   39.495  292.697   43.521   38.654   94.021  375.845   29.673  162.667   72.636 213.1774 78.46333 
1 1 1  -23   13   19 o  206.662   58.061  130.960   66.103  135.685   71.993  105.577  166.857  218.047   72.432  195.277   90.762 22.77003 116.1211 
1 1 1  -23   13   20 o  197.870   37.984  109.685   30.907  124.035   34.175   45.234   72.426  240.339   36.438  155.401   66.659 84.93761 75.96847 
1 1 1  -23   13   21 o  119.293   36.584   16.549   24.410   17.569   26.353   10.393   64.764  105.722   42.252  132.865   59.735 -27.14227 73.16766 
1 1 1  -23   14    1 o  145.355   49.366  -0.7578   10.235  -1.5469   10.263  142.477  138.267   56.689   24.704  234.021   95.592 -177.3319 98.73253 
1 1 1  -23   14    2 o  179.061   56.556   9.0887   61.283 -13.7718   67.413  117.904  147.078  133.363   60.359  224.760   95.663 -91.39661 113.1130 
1 1 1  -23   14    3 o  262.531   65.244  180.079   70.903  174.537   76.837  211.864  184.004  264.988   72.295  260.074  108.631 4.914490 130.4885 
1 1 1  -23   14    4 o  156.867   47.408   34.251   17.859   35.205   17.952 -57.3190  175.886  128.688   34.876  185.046   88.169 -56.35744 94.81664 
1 1 1  -23   14    5 o  113.026   38.222  -2.3002   11.805  -2.9695   11.921   31.575   84.808   59.525   26.260  166.526   71.791 -107.0002 76.44332 
1 1 1  -23   14    6 o  247.605   49.154  176.690   34.538  183.305   35.023 -57.1856  208.245  300.381   29.878  194.829   93.658 105.5513 98.30867 
1 1 1  -23   14    7 o  231.094   53.927  115.408   28.297  115.742   28.555   97.133  211.281  238.276   30.709  223.912  103.391 14.36415 107.8548 
1 1 1  -23   14    8 o  362.448   63.892  389.062   49.771  389.568   50.743  376.219  255.539  437.409   29.728  287.489  124.277 149.9200 127.7833 
1 1 1  -23   14    9 o   63.874   27.850  -1.6497   13.059  -1.6497   13.059   0.0000   0.0000   63.874   27.850  ?   ?       ?      ? 
1 1 1  -23   14   10 o  200.286   51.279   86.144   27.337   87.649   27.535 -17.4158  228.367  202.387   36.192  198.187   95.960 4.199890 102.5585 
1 1 1  -23   14   11 o  305.737   62.563  241.006   41.688  236.841   42.253  393.656  255.788  338.503   31.986  272.971  120.969 65.53204 125.1265 
1 1 1  -23   14   12 o  191.158   73.419   93.302   76.953   93.302   76.953   0.0000   0.0000  191.158   73.419  ?   ?       ?      ? 
1 1 1  -23   14   13 o  166.526   44.842   60.335   25.233   63.944   25.461 -137.9246  188.715  169.894   39.201  163.157   80.663 6.736786 89.68415 
1 1 1  -23   14   14 o  283.323   42.747  225.597   42.053  255.197   48.832  140.645   82.727  346.838   36.079  219.809   77.508 127.0297 85.49329 
1 1 1  -23   14   15 o  179.267   33.650   93.668   27.333  113.593   29.405 -32.9967   74.137  233.050   32.332  125.483   59.025 107.5672 67.29989 
1 1 1  -23   14   16 o  201.939   52.982   70.933   25.112   67.360   25.428  211.850  159.689  174.262   38.425  229.617   98.751 -55.35524 105.9636 
1 1 1  -23   14   17 o  244.246   53.044  212.473   72.287  260.909   78.915 -40.0658  180.194  317.833   65.792  170.660   83.223 147.1731 106.0878 
1 1 1  -23   14   18 o  260.269   56.945  256.296   79.968  296.597   87.483   51.512  197.203  333.452   69.484  187.086   90.239 146.3654 113.8903 
1 1 1  -23   14   19 o  222.127   47.950  138.256   34.210  140.470   34.837   78.409  181.139  256.756   34.769  187.497   89.376 69.25964 95.90041 
1 1 1  -23   15    1 o  292.265   71.647  208.423   79.539  167.826   86.939  416.910  197.018  251.824   79.279  332.706  119.365 -80.88142 143.2938 
1 1 1  -23   15    2 o  268.461   57.501  153.424   34.832  149.939   35.466  248.191  184.932  269.998   33.661  266.924  109.966 3.074127 115.0025 
1 1 1  -23   15    3 o  274.416   59.033  150.858   32.957  146.540   33.450  294.352  192.833  267.492   32.044  281.340  113.635 -13.84778 118.0663 
1 1 1  -23   15    4 o  140.629   50.130   4.6132   13.058   4.2423   13.094   71.326  175.597   71.605   29.352  209.653   95.867 -138.0480 100.2600 
1 1 1  -23   15    5 o  210.665   53.534   79.303   24.035   78.559   24.221  127.268  194.504  195.767   31.705  225.563  102.267 -29.79660 107.0689 
1 1 1  -23   15    6 o  189.039   55.152   50.502   21.364   49.618   21.476  134.431  209.347  151.450   36.718  226.628  104.013 -75.17781 110.3033 
1 1 1  -23   15    7 o  203.148   44.906   90.352   26.755   90.489   27.590   88.190  109.563  209.015   33.826  197.282   83.198 11.73245 89.81124 
1 1 1  -23   15    8 o  200.797   56.436   63.575   23.144   62.287   23.267  183.633  224.616  169.736   36.230  231.858  106.899 -62.12192 112.8721 
1 1 1  -23   15    9 o  330.958   32.595  227.122   42.097  227.122   42.097   0.0000   0.0000  330.958   32.595  ?   ?       ?      ? 
1 1 1  -23   15   10 o  416.184   31.794  359.047   51.637  359.047   51.637   0.0000   0.0000  416.184   31.794  ?   ?       ?      ? 
1 1 1  -23   15   11 o  347.948   31.561  251.360   42.855  251.360   42.855   0.0000   0.0000  347.948   31.561  ?   ?       ?      ? 
1 1 1  -23   15   12 o  198.628   95.885   69.184  223.744   0.0000   0.0000   69.184  223.744  ?   ?   198.628   95.885      ?      ? 
1 1 1  -23   15   13 o  238.902   51.237  165.025   38.954  167.964   39.472   55.254  241.240  281.231   35.966  196.574   95.955 84.65704 102.4740 
1 1 1  -23   15   14 o  351.448   46.765  368.451   55.496  442.166   66.472  198.875  100.819  454.417   37.485  248.478   85.691 205.9393 93.53093 
1 1 1  -23   15   15 o  175.173   32.776   92.415   28.951  116.914   30.468 -135.3923   92.907  235.900   33.097  114.447   56.584 121.4535 65.55267 
1 1 1  -23   15   16 o  314.603   55.678  296.638   70.741  360.532   96.332  221.853  104.219  369.796   69.300  259.409   87.163 110.3876 111.3551 
1 1 1  -23   15   17 o  243.941   47.379  189.723   38.823  196.142   39.605   31.927  196.357  304.832   33.293  183.049   88.716 121.7828 94.75716 
1 1 1  -23   15   18 o  240.505   45.902  187.580   36.264  193.925   36.901   8.5237  196.022  304.123   31.093  176.887   86.378 127.2361 91.80421 
1 1 1  -23   16    1 o  274.586   70.535  187.862   77.633  143.396   84.985  412.026  190.813  229.322   78.698  319.849  117.079 -90.52650 141.0699 
1 1 1  -23   16    2 o  176.207   54.799   45.600   72.162   75.570   81.996 -57.3410  151.966  184.114   74.193  168.300   80.667 15.81401 109.5981 
1 1 1  -23   16    3 o  435.409   79.593  615.178  112.822  579.210  121.333  844.906  306.640  493.032   63.063  377.786  146.161 115.2459 159.1855 
1 1 1  -23   16    4 o  329.901   63.804  264.275   42.421  257.439   43.171  455.904  228.578  353.541   31.291  306.261  123.713 47.27991 127.6085 
1 1 1  -23   16    5 o  182.863   51.393   56.472   22.420   56.160   22.575   78.977  191.643  160.617   36.805  205.109   95.971 -44.49306 102.7867 
1 1 1  -23   16    6 o  268.213   54.586  196.188   37.646  196.518   38.273  186.353  208.730  308.164   31.826  228.263  104.430 79.90068 109.1718 
1 1 1  -23   16    7 f  149.559   50.566   18.300   15.892   17.863   15.946   82.143  192.851   96.624   34.033  202.495   95.233 -105.8716 101.1315 
1 1 1  -23   16    8 o  273.088   52.603  227.608   39.288  230.700   39.903  129.661  224.577  334.059   30.609  212.116  100.654 121.9436 105.2052 
1 1 1  -23   16    9 o  427.396   30.678  378.350   51.168  378.350   51.168   0.0000   0.0000  427.396   30.678  ?   ?       ?      ? 
1 1 1  -23   16   10 o  155.390   46.023   41.917   20.714   43.384   20.826 -93.5372  200.086  140.150   37.388  170.630   84.111 -30.48033 92.04658 
1 1 1  -23   16   11 o  185.889   49.298   74.480   26.930   75.341   27.175   27.356  200.985  184.385   38.986  187.392   90.562 -3.007111 98.59648 
1 1 1  -23   16   12 o  126.506   47.187  -0.4657   14.765  -0.5147   14.804   8.8033  203.710   68.772   29.821  184.238   89.538 -115.4660 94.37365 
1 1 1  -23   16   13 o  241.073   50.900  167.103   35.913  169.131   36.333   80.934  236.851  283.946   32.789  198.201   96.375 85.74492 101.8006 
1 1 1  -23   16   14 o  159.738   41.489   56.298   24.105   58.757   24.750   10.956  106.268  161.889   39.522  157.586   72.961 4.302383 82.97799 
1 1 1  -23   16   15 o  179.869   54.867   78.152   71.334  103.881   95.883   46.258  106.754  191.214   79.019  168.524   76.143 22.68974 109.7346 
1 1 1  -23   16   16 o  179.782   52.153   53.283   23.925   51.078   24.140  175.070  179.411  150.110   40.344  209.454   96.189 -59.34334 104.3069 
1 1 1  -23   16   17 o  125.626   46.347  -3.3025   15.151  -3.9957   15.211   83.870  170.576   65.726   29.292  185.526   87.945 -119.7996 92.69487 
1 1 1  -23   17    1 o  401.971   65.951  532.849   91.927  548.052  102.804  472.197  205.339  487.418   54.048  316.525  120.320 170.8929 131.9016 
1 1 1  -23   17    2 o  157.678   50.450  -8.8193   61.599 -56.5765   73.999   98.963  111.167  119.278   56.931  196.077   83.305 -76.79915 100.9001 
1 1 1  -23   17    3 o  375.767   74.069  396.129   88.465  343.185   95.508  715.933  234.734  365.336   69.531  386.198  130.807 -20.86203 148.1384 
1 1 1  -23   17    4 o  406.825   77.400  558.175  105.539  517.977  112.986  833.312  295.593  460.098   62.928  353.552  141.432 106.5456 154.7993 
1 1 1  -23   17    5 o  194.764   54.457   60.794   22.625   58.960   22.773  199.929  198.354  164.107   36.503  225.420  102.615 -61.31227 108.9138 
1 1 1  -23   17    6 o  195.593   55.828   60.026   23.697   57.847   23.850  227.761  209.254  161.611   38.387  229.575  104.850 -67.96420 111.6563 
1 1 1  -23   17    7 o   65.028   27.700   1.0177   12.350   1.0177   12.350   0.0000   0.0000   65.028   27.700  ?   ?       ?      ? 
1 1 1  -23   17    8 o  201.356   45.661  106.805   28.236  110.466   28.469 -113.7447  220.982  230.180   31.694  172.531   85.645 57.64951 91.32167 
1 1 1  -23   17    9 o  150.647   44.521   40.366   20.239   42.300   20.342 -147.7570  200.626  138.361   36.970  162.933   81.004 -24.57216 89.04144 
1 1 1  -23   17   10 o  248.116   54.157  164.859   37.991  163.730   38.581  200.971  218.125  277.696   35.602  218.536  102.296 59.16042 108.3143 
1 1 1  -23   17   11 o  177.229   49.333   60.415   23.814   60.581   23.988   49.116  198.033  165.233   37.995  189.225   91.057 -23.99161 98.66598 
1 1 1  -23   17   12 o  133.591   45.059   16.949   17.923   17.560   18.015 -42.4059  177.582   97.704   35.942  169.478   82.640 -71.77338 90.11759 
1 1 1  -23   17   13 o  240.294   60.032  216.725   86.736  268.152   98.026   31.260  186.157  298.186   81.784  182.401   87.902 115.7855 120.0641 
1 1 1  -23   17   14 o  204.962   57.471   94.590   73.822  -6.4374   94.303  254.489  118.639  145.210   67.738  264.713   92.861 -119.5031 114.9420 
1 1 1  -23   17   15 o  156.177   45.777   44.056   22.497   44.538   22.724   20.311  159.475  140.348   39.709  172.005   82.494 -31.65666 91.55358 
1 1 1  -23   18    1 o  165.166   50.199   51.356   58.494   67.534   72.666   21.576   98.589  171.121   69.530  159.212   72.425 11.90961 100.3982 
1 1 1  -23   18    2 o  167.227   50.368   54.617   59.360   80.533   75.726   13.310   95.603  179.580   71.672  154.874   70.787 24.70525 100.7356 
1 1 1  -23   18    3 o  282.814   60.410  266.855   75.177  284.105   88.054  220.473  144.389  326.551   71.113  239.077   97.674 87.47389 120.8195 
1 1 1  -23   18    4 o  232.732   58.409  176.342   69.364  193.085   80.687  128.928  135.782  261.068   75.143  204.396   89.442 56.67198 116.8175 
1 1 1  -23   18    5 o  127.901   59.803 -25.8740   74.190 -25.8740   74.190   0.0000   0.0000  127.901   59.803  ?   ?       ?      ? 
1 1 1  -23   18    6 o  207.978   60.883  137.535   80.648  154.252   86.991   35.283  215.145  226.053   79.504  189.904   92.228 36.14899 121.7657 
1 1 1  -23   18    7 o  244.538   50.500  175.152   36.506  177.652   37.002   83.857  223.602  291.186   32.563  197.889   95.607 93.29703 101.0003 
1 1 1  -23   18    8 o  172.852   50.682   51.187   22.304   51.032   22.421   65.830  217.921  151.466   37.997  194.238   93.974 -42.77264 101.3649 
1 1 1  -23   18    9 o  187.309   44.226   89.280   28.119   93.610   28.413 -116.1877  195.739  210.310   34.620  164.307   81.396 46.00269 88.45261 
1 1 1  -23   18   10 o  135.768   45.101   19.154   16.226   19.419   16.300  -9.6597  169.935   98.961   34.437  172.574   83.370 -73.61346 90.20216 
1 1 1  -23   18   11 o  154.589   44.157   45.600   22.343   47.128   22.590 -23.2560  151.644  144.912   39.060  164.265   79.206 -19.35313 88.31364 
1 1 1  -23   18   12 o  226.348   56.757  178.570   80.152  249.452   93.877 -12.0779  153.960  286.736   80.562  165.959   79.968 120.7767 113.5131 
1 1 1  -23   18   13 o  158.676   41.926   58.090   24.307   61.797   24.633 -79.1217  149.859  165.738   38.775  151.614   74.348 14.12379 83.85201 
1 1 1  -23   19    1 o  155.575   49.913   22.338   60.200   17.354   70.958   35.139  113.721  142.781   63.473  168.368   77.048 -25.58676 99.82561 
1 1 1  -23   19    2 o  108.653   52.638 -73.4918   68.949 -73.4918   68.949   0.0000   0.0000  108.653   52.638  ?   ?       ?      ? 
1 1 1  -23   19    3 o  216.898   77.156  139.021   82.150  139.021   82.150   0.0000   0.0000  216.898   77.156  ?   ?       ?      ? 
1 1 1  -23   19    4 o  132.678   43.757 -23.2533   56.279   3.2029   76.933 -53.7088   82.543  140.220   63.860  125.136   59.838 15.08342 87.51403 
1 1 1  -23   19    5 o  152.074   49.218   14.253   62.053   12.680   75.010   17.663  110.451  142.820   64.242  161.328   74.584 -18.50758 98.43698 
1 1 1  -23   19    6 o  206.325   59.120  123.435   66.688  113.391   75.168  160.567  144.527  200.113   73.448  212.537   92.660 -12.42381 118.2391 
1 1 1  -23   19    7 o  149.624   72.543 -63.7812  131.598   0.0000   0.0000 -63.7812  131.598  ?   ?   149.624   72.543      ?      ? 
1 1 1  -23   19    8 o  137.128   46.910   9.5242   14.373   8.5349   14.443  110.443  145.878   79.524   31.439  194.732   88.396 -115.2083 93.82005 
1 1 1  -23   19    9 f  206.346   62.357  144.301   87.445  146.830  103.652  138.058  162.868  211.287   84.001  201.406   92.181 9.881042 124.7137 
1 1 1  -23   19   10 o  213.800   53.674  116.882   81.651  274.172  101.772 -167.2594  136.786  294.122   84.314  133.477   66.444 160.6456 107.3486 
1 1 1  -23   19   11 o  195.480   60.556  123.176   85.660  117.099  104.004  135.991  151.036  193.392   81.282  197.568   89.784 -4.176270 121.1111 
1 1 1  -23   20    1 o  152.776   52.522  -6.3122   46.197 -15.0460   47.809  116.701  179.426  107.910   49.592  197.642   92.600 -89.73223 105.0433 
1 1 1  -23   20    2 o  189.567   49.947  105.731   52.859  126.271   55.320 -109.8346  179.214  220.460   61.809  158.675   78.477 61.78525 99.89449 
1 1 1  -23   20    3 o  173.199   50.836   74.305   56.245   94.388   60.670 -48.5089  150.028  187.776   66.358  158.623   77.032 29.15302 101.6724 
1 1 1  -23   20    4 o  129.223   44.459 -46.8130   57.390 -35.3739   63.384 -98.8556  135.195  114.566   54.098  143.880   70.568 -29.31413 88.91837 
1 1 1  -23   20    5 o  186.046   62.019   71.444  111.955  131.360  187.644   38.327  139.505  199.080   93.723  173.011   81.248 26.06920 124.0371 
1 1 1  -23   20    6 o  146.726   51.024 -96.3700  100.915 -208.0219  180.700 -45.7642  121.654  146.175   73.304  147.277   70.996 -1.102280 102.0487 
1 1 1  -23   20    7 o  147.834   48.423   12.819   60.861   27.009   68.737 -38.6769  130.944  143.778   63.258  151.890   73.330 -8.111984 96.84500 
1 1 1  -23   20    8 o  166.812   70.197   66.729   77.728   66.729   77.728   0.0000   0.0000  166.812   70.197  ?   ?       ?      ? 
1 1 1  -23   21    1 o  156.396   51.371   36.622   48.212   42.042   49.219 -91.7366  239.533  142.745   57.496  170.048   85.149 -27.30362 102.7427 
1 1 1  -23   21    2 o  128.217   46.058 -36.1953   42.730 -33.7375   43.778 -85.7001  196.474   94.141   44.605  162.294   80.597 -68.15234 92.11621 
1 1 1  -22    0    1 o  622.477   19.979  765.062   68.312  765.062   68.312  765.062   68.312  622.477   28.254  622.477   28.254 0.000000 0.000000 
1 1 1  -22    0    2 o   89.029   26.139   21.894   12.792   21.894   12.792   21.894   12.792   89.029   36.966   89.029   36.966 0.000000 0.000000 
1 1 1  -22    0    3 o  260.609   25.154  140.861   34.269  140.861   34.269  140.861   34.269  260.609   35.574  260.609   35.574 -0.000000 0.000000 
1 1 1  -22    0    4 o  372.832   17.815  276.203   36.271  276.203   36.271  276.203   36.271  372.832   25.194  372.832   25.194 -0.000000 0.000000 
1 1 1  -22    0    5 o  231.360   18.643  108.981   23.005  108.981   23.005  108.981   23.005  231.360   26.365  231.360   26.365 0.000000 0.000000 
1 1 1  -22    0    6 o   93.190   28.215   24.337   14.828   24.337   14.828   24.337   14.828   93.190   39.902   93.190   39.902 -0.000000 0.000000 
1 1 1  -22    0    7 o  381.823   17.871  289.706   37.280  289.706   37.280  289.706   37.280  381.823   25.274  381.823   25.274 -0.000000 0.000000 
1 1 1  -22    0    8 f  311.777   18.011  194.519   30.514  194.519   30.514  194.519   30.514  311.777   25.471  311.777   25.471 -0.000000 0.000000 
1 1 1  -22    0    9 o  248.395   19.227  125.472   25.554  125.472   25.554  125.472   25.554  248.395   27.192  248.395   27.192 0.000000 0.000000 
1 1 1  -22    0   10 o  174.023   39.475   76.299   33.442   76.299   33.442   76.299   33.442  174.023   55.826  174.023   55.826 -0.000000 0.000000 
1 1 1  -22    0   11 o  112.255   29.001   33.170   16.564   33.170   16.564   33.170   16.564  112.255   41.014  112.255   41.014 -0.000000 0.000000 
1 1 1  -22    0   12 o  227.706   20.581  107.001   24.708  107.001   24.708  107.001   24.708  227.706   29.106  227.706   29.106 -0.000000 0.000000 
1 1 1  -22    0   13 o  671.068   29.772  910.047  109.268  910.047  109.268  910.047  109.268  671.068   42.105  671.068   42.105 -0.000000 0.000000 
1 1 1  -22    0   14 o  407.122   19.042  331.128   42.355  331.128   42.355  331.128   42.355  407.122   26.930  407.122   26.930 0.000000 0.000000 
1 1 1  -22    0   15 o   94.116   33.566   26.363   21.572   26.363   21.572   26.363   21.572   94.116   47.470   94.116   47.470 0.000000 0.000000 
1 1 1  -22    0   16 o  740.743   22.336  1095.70   90.932  1095.70   90.932  1095.70   90.932  740.743   31.588  740.743   31.588 0.000000 0.000000 
1 1 1  -22    0   17 o  422.710   19.823  358.443   45.777  358.443   45.777  358.443   45.777  422.710   28.033  422.710   28.033 -0.000000 0.000000 
1 1 1  -22    0   18 o  184.066   28.194   76.329   25.112   76.329   25.112   76.329   25.112  184.066   39.872  184.066   39.872 -0.000000 0.000000 
1 1 1  -22    0   19 o  372.567   19.894  279.862   40.368  279.862   40.368  279.862   40.368  372.567   28.134  372.567   28.134 -0.000000 0.000000 
1 1 1  -22    0   20 o   86.252   32.346   22.105   20.717   22.105   20.717   22.105   20.717   86.252   45.744   86.252   45.744 -0.000000 0.000000 
1 1 1  -22    0   21 o  178.671   51.811   95.219   50.433   95.219   50.433   95.219   50.433  178.671   73.271  178.671   73.271 0.000000 0.000000 
1 1 1  -22    0   22 o  166.396   32.832   67.640   26.085   67.640   26.085   67.640   26.085  166.396   46.431  166.396   46.431 -0.000000 0.000000 
1 1 1  -22    0   23 o  195.790   29.714   87.538   28.187   87.538   28.187   87.538   28.187  195.790   42.022  195.790   42.022 0.000000 0.000000 
1 1 1  -22    0   24 o   46.835   22.687 -11.0777   18.699 -11.0777   18.699 -11.0777   18.699   46.835   32.084   46.835   32.084 -0.000000 0.000000 
1 1 1  -22    0   25 o  330.615   22.371  226.198   39.960  226.198   39.960  226.198   39.960  330.615   31.638  330.615   31.638 -0.000000 0.000000 
1 1 1  -22    0   26 f   68.416   30.280   7.4297   23.570   7.4297   23.570   7.4297   23.570   68.416   42.823   68.416   42.823 -0.000000 0.000000 
1 1 1  -22    0   27 o  469.722   22.472  452.503   57.644  452.503   57.644  452.503   57.644  469.722   31.781  469.722   31.781 -0.000000 0.000000 
1 1 1  -22    1    1 o  262.915   17.041  136.010   17.481  135.370   24.484  136.675   24.968  262.301   23.920  263.530   24.279 -1.228760 34.08220 
1 1 1  -22    1    2 o  185.609   19.972   69.525   13.504   44.746   18.401   98.445   19.879  147.451   32.823  223.766   22.765 -76.31429 39.94465 
1 1 1  -22    1    3 o  132.068   22.553   34.371   13.398   7.1808   19.096   60.733   18.803   88.697   35.782  175.438   27.464 -86.74114 45.10697 
1 1 1  -22    1    4 o  406.446   17.633  324.817   27.942  307.598   38.636  343.699   40.458  395.155   25.055  417.737   24.818 -22.58292 35.26612 
1 1 1  -22    1    5 o  150.480   21.093   46.356   11.945   41.361   16.771   51.498   17.017  141.826   31.154  159.135   28.446 -17.30862 42.18685 
1 1 1  -22    1    6 o  482.822   18.402  458.821   34.631  433.580   47.686  486.989   50.376  468.796   26.066  496.849   25.982 -28.05304 36.80315 
1 1 1  -22    1    7 o  307.211   17.583  186.132   21.049  199.345   29.999  173.319   29.542  318.041   24.171  296.382   25.542 21.65823 35.16583 
1 1 1  -22    1    8 o  518.995   18.950  532.456   38.379  538.218   54.342  526.721   54.212  521.825   26.686  516.165   26.914 5.660522 37.90073 
1 1 1  -22    1    9 o  256.058   18.440  129.712   18.412  135.061   25.978  124.313   26.099  261.444   25.463  250.672   26.680 10.77127 36.88076 
1 1 1  -22    1   10 o  258.592   30.019  138.661   29.240  155.707   40.430  119.967   42.338  278.452   37.207  238.732   47.118 39.72032 60.03762 
1 1 1  -22    1   11 o   80.367   21.101   8.2558   9.4880  -1.6460   13.828   17.066   13.043   66.569   28.843   94.166   30.808 -27.59750 42.20261 
1 1 1  -22    1   12 o   83.979   21.543   9.3759   10.072  -3.3785   14.840   20.270   13.715   67.084   29.457  100.874   31.445 -33.79047 43.08689 
1 1 1  -22    1   13 o  157.974   25.350   52.680   15.147   55.252   19.938   49.170   23.294  163.246   32.441  152.702   38.963 10.54446 50.70008 
1 1 1  -22    1   14 o  323.735   18.809  208.945   23.759  211.840   33.495  206.013   33.707  326.063   26.324  321.407   26.874 4.656036 37.61880 
1 1 1  -22    1   15 o  545.218   27.706  607.674   58.835  562.742   80.580  658.981   86.107  523.534   39.441  566.903   38.922 -43.36884 55.41241 
1 1 1  -22    1   16 o  702.400   21.853  995.888   59.891  1015.04   85.619  977.541   83.807  708.977   30.946  695.822   30.864 13.15558 43.70622 
1 1 1  -22    1   17 o  310.825   19.731  194.195   23.917  185.080   33.573  203.588   34.081  303.267   28.369  318.384   27.430 -15.11734 39.46124 
1 1 1  -22    1   18 o   98.325   24.537   14.836   12.450   28.997   18.558   3.2455   16.789  118.335   36.527   78.315   32.771 40.02006 49.07300 
1 1 1  -22    1   19 o  118.708   26.497   28.302   14.024   37.836   20.372   19.714   19.336  133.303   37.556  104.113   37.390 29.18919 52.99463 
1 1 1  -22    1   20 o  285.284   20.575  164.903   22.899  159.762   32.284  170.108   32.484  280.672   29.475  289.897   28.714 -9.225098 41.14949 
1 1 1  -22    1   21 o  127.735   35.953   11.534   29.200 -22.2753   38.981   54.762   44.078   96.282   44.441  159.187   56.528 -62.90498 71.90582 
1 1 1  -22    1   22 o   71.408   22.403  -4.3337   12.451  -7.9551   18.667  -1.4314   16.711   70.465   31.839   72.351   31.526 -1.885544 44.80621 
1 1 1  -22    1   23 o  186.510   27.452   76.430   19.317   77.275   27.908   75.653   26.766  187.203   39.446  185.817   38.188 1.386169 54.90308 
1 1 1  -22    1   24 o  181.012   27.574   71.628   19.481   97.572   28.409   48.598   26.766  215.459   33.787  146.565   43.586 68.89442 55.14851 
1 1 1  -22    1   25 o   90.301   25.985   7.1603   14.748   18.606   21.823  -2.4622   20.009  103.189   39.224   77.413   34.093 25.77657 51.96991 
1 1 1  -22    1   26 o  242.897   29.602  130.846   27.434  128.835   39.575  132.706   38.065  238.407   44.163  247.388   39.429 -8.981140 59.20354 
1 1 1  -22    1   27 f  153.087   30.646   53.507   19.161   61.755   28.285   46.511   26.049  163.500   43.551  142.673   43.129 20.82718 61.29257 
1 1 1  -22    2    1 o  847.196   23.237  1421.90   76.777  1395.89  106.406  1450.14  110.892  839.272   32.489  855.120   33.231 -15.84747 46.47359 
1 1 1  -22    2    2 o  253.644   21.237  130.252   19.958  116.861   33.002  137.973   25.059  242.533   34.869  264.755   24.254 -22.22235 42.47488 
1 1 1  -22    2    3 o  208.470   20.486   85.219   16.201   83.132   20.514   88.678   26.412  205.393   25.594  211.548   31.993 -6.154800 40.97099 
1 1 1  -22    2    4 o  255.558   17.674  128.479   17.613  122.468   24.395  135.023   25.456  249.316   25.074  261.800   24.917 -12.48389 35.34897 
1 1 1  -22    2    5 o  410.344   17.969  332.022   28.724  357.749   40.944  307.086   40.308  426.130   24.621  394.558   26.179 31.57208 35.93815 
1 1 1  -22    2    6 o  140.813   20.996   40.691   11.173   40.838   15.945   40.549   15.660  141.036   29.899  140.591   29.484 0.4455719 41.99143 
1 1 1  -22    2    7 o  103.923   22.412   20.732   10.597   9.4172   15.233   31.343   14.752   84.511   32.610  123.336   30.754 -38.82533 44.82454 
1 1 1  -22    2    8 o  512.553   18.893  519.409   37.788  527.461   53.560  511.429   53.320  516.546   26.571  508.561   26.867 7.984985 37.78675 
1 1 1  -22    2    9 o  349.902   23.234  240.647   28.816  236.005   34.101  252.239   53.891  345.587   25.285  354.217   38.987 -8.629242 46.46843 
1 1 1  -22    2   10 o  417.785   27.153  351.912   44.028  397.793   62.837  307.666   61.707  445.306   36.160  390.264   40.518 55.04224 54.30682 
1 1 1  -22    2   11 f  251.844   18.899  125.599   18.554  118.073   25.677  133.821   26.841  243.926   26.975  259.763   26.478 -15.83710 37.79814 
1 1 1  -22    2   12 o  177.098   21.952   63.968   14.689   76.176   21.014   52.304   20.541  195.700   27.516  158.496   34.212 37.20447 43.90436 
1 1 1  -22    2   13 o  331.343   21.497  218.585   26.723  215.415   33.390  224.233   44.572  329.150   25.995  333.537   34.244 -4.386932 42.99342 
1 1 1  -22    2   14 f  261.452   22.205  134.525   21.781  148.156   36.893  127.231   26.986  270.473   34.953  252.432   27.394 18.04153 44.40919 
1 1 1  -22    2   15 o  124.604   28.756   30.523   15.794   36.133   25.241   26.913   20.247  132.805   42.815  116.404   38.399 16.40109 57.51228 
1 1 1  -22    2   16 o  325.485   19.604  212.594   24.898  214.896   35.086  210.260   35.337  327.343   27.466  323.627   27.980 3.715668 39.20807 
1 1 1  -22    2   17 o  244.371   21.155  120.895   19.931  145.005   28.670   98.345   27.727  268.695   27.343  220.047   32.289 48.64793 42.31069 
1 1 1  -22    2   18 o  259.470   21.146  136.458   21.132  164.978   30.450  109.959   29.351  286.468   27.238  232.471   32.353 53.99706 42.29281 
1 1 1  -22    2   19 f  137.921   26.587   40.453   14.689   44.351   21.588   37.093   20.044  143.806   37.925  132.036   37.271 11.76930 53.17373 
1 1 1  -22    2   20 o  509.416   20.276  525.462   40.296  540.816   57.071  510.198   56.904  517.088   28.283  501.743   29.062 15.34558 40.55277 
1 1 1  -22    2   21 o  270.065   39.162  173.699   40.177  216.086   54.036  121.298   60.082  317.900   43.557  222.231   65.097 95.66888 78.32495 
1 1 1  -22    2   22 o  150.514   28.181   50.012   16.807   48.141   24.622   51.644   22.997  147.570   41.187  153.458   38.474 -5.888748 56.36156 
1 1 1  -22    2   23 o   87.723   25.642   7.0279   14.034   8.8898   22.230   5.7942   18.095   92.747   38.158   82.700   34.264 10.04635 51.28394 
1 1 1  -22    2   24 o  408.395   20.987  345.013   33.430  357.094   47.273  332.927   47.282  415.980   29.121  400.811   30.229 15.16864 41.97395 
1 1 1  -22    2   25 f  489.509   21.853  498.333   41.709  491.102   57.637  506.282   60.432  486.306   30.371  492.711   31.430 -6.404297 43.70621 
1 1 1  -22    2   26 o  285.788   27.760  172.061   30.395  224.873   47.146  134.496   39.762  323.656   37.327  247.921   41.098 75.73509 55.51936 
1 1 1  -22    2   27 o  292.141   24.337  180.555   27.569  210.056   40.457  154.979   37.668  315.362   32.874  268.919   35.894 46.44275 48.67310 
1 1 1  -22    3    1 o  316.827   17.439  196.523   21.493  177.342   29.231  219.097   31.711  300.060   24.963  333.594   24.359 -33.53369 34.87848 
1 1 1  -22    3    2 o  379.634   21.541  281.777   30.398  296.511   52.107  274.176   37.427  386.300   34.565  372.968   25.715 13.33228 43.08155 
1 1 1  -22    3    3 o  299.159   19.690  166.181   21.958  143.723   26.689  213.238   38.632  270.054   25.325  328.264   30.158 -58.20947 39.38047 
1 1 1  -22    3    4 o  157.875   20.877   50.787   12.383   48.926   17.170   52.805   17.876  154.796   29.500  160.953   29.548 -6.157303 41.75349 
1 1 1  -22    3    5 o  684.468   20.819  926.659   55.586  909.579   77.287  944.962   80.004  678.014   29.210  690.923   29.672 -12.90881 41.63739 
1 1 1  -22    3    6 o  241.070   18.370  114.726   17.260  115.083   23.849  114.334   25.011  241.535   25.302  240.606   26.638 0.9292450 36.73950 
1 1 1  -22    3    7 o  447.755   18.365  395.517   32.067  384.607   44.339  407.483   46.433  441.335   25.745  454.175   26.198 -12.83984 36.73035 
1 1 1  -22    3    8 o  172.104   21.480   59.956   14.059   65.619   19.769   54.161   19.998  182.035   27.829  162.173   32.728 19.86215 42.96066 
1 1 1  -22    3    9 o  256.595   23.961  109.243   20.688   90.863   23.219  180.040   45.569  214.096   27.791  299.095   39.042 -84.99803 47.92274 
1 1 1  -22    3   10 o  253.583   22.467  128.729   20.951  126.903   36.101  129.657   25.726  251.269   36.817  255.898   25.762 -4.628769 44.93488 
1 1 1  -22    3   11 o  420.654   18.543  350.810   30.424  345.340   42.253  356.701   43.844  417.323   25.945  423.986   26.499 -6.662964 37.08560 
1 1 1  -22    3   12 o  330.316   18.754  216.753   24.165  213.567   33.632  220.152   34.745  327.862   26.287  332.771   26.755 -4.909393 37.50781 
1 1 1  -22    3   13 o  196.930   22.433   78.617   16.714   65.842   22.902   93.173   24.447  177.958   34.221  215.901   29.016 -37.94254 44.86622 
1 1 1  -22    3   14 o  273.772   24.528  151.547   25.273  153.047   41.642  150.673   31.799  273.499   39.016  274.044   29.735 -0.5453796 49.05504 
1 1 1  -22    3   15 o  253.702   22.775  133.635   21.861  151.946   29.066  109.786   33.172  275.571   27.028  231.833   36.666 43.73727 45.55091 
1 1 1  -22    3   16 o  665.460   31.160  895.560   80.920   0.0000   0.0000  895.560   80.920  ?   ?   665.460   31.160      ?      ? 
1 1 1  -22    3   17 o  284.600   20.460  163.277   22.708  162.794   31.529  163.797   32.733  284.325   28.416  284.874   29.444 -0.5495300 40.91943 
1 1 1  -22    3   18 o  614.582   21.013  763.660   50.380  758.993   70.265  768.597   72.273  612.894   29.378  616.269   30.052 -3.374756 42.02586 
1 1 1  -22    3   19 o  169.132   25.930   60.840   16.605   65.599   24.273   56.655   22.766  175.464   36.632  162.800   36.710 12.66434 51.86082 
1 1 1  -22    3   20 o  110.825   26.022   24.260   13.951   10.362   21.403   34.526   18.395   94.321   37.942  127.328   35.623 -33.00648 52.04355 
1 1 1  -22    3   21 o   69.695   24.257 -57.9013   22.438 -32.3557   25.709 -139.5657   45.966   69.418   33.248   69.972   35.330 -0.5545654 48.51409 
1 1 1  -22    3   22 o  366.183   20.813  275.054   29.721  285.051   41.912  264.942   42.153  373.272   28.773  359.093   30.080 14.17838 41.62587 
1 1 1  -22    3   23 o   80.988   24.070   2.6508   13.517 -16.4477   23.273   12.372   16.604   73.183   33.975   88.794   34.104 -15.61104 48.13924 
1 1 1  -22    3   24 o  283.084   23.455  167.986   25.869  181.061   37.118  155.638   36.073  294.287   32.321  271.881   34.000 22.40610 46.91067 
1 1 1  -22    3   25 o  136.030   32.336   41.174   20.011   36.510   33.600   43.738   24.911  132.529   49.027  139.530   42.176 -7.001236 64.67165 
1 1 1  -22    3   26 o  109.546   29.424   22.013   17.235   15.044   28.790   25.906   21.516  106.554   43.583  112.538   39.542 -5.983795 58.84768 
1 1 1  -22    3   27 o  329.039   23.770  229.450   30.484  244.981   43.752  214.795   42.498  340.377   32.939  317.700   34.279 22.67664 47.53917 
1 1 1  -22    4    1 o  184.686   25.795   75.245   17.160   51.061   28.655   88.768   21.427  157.196   44.630  212.176   25.878 -54.97914 51.58980 
1 1 1  -22    4    2 o  258.685   17.985  132.182   18.100  135.915   24.860  127.972   26.403  262.699   24.250  254.671   26.567 8.027802 35.97013 
1 1 1  -22    4    3 o  144.316   22.673   42.935   12.357   43.441   16.428   42.275   18.752  145.579   29.917  143.053   34.077 2.526016 45.34622 
1 1 1  -22    4    4 o  116.512   20.735   27.599   9.4476   32.885   13.950   23.120   12.841  126.482   28.895  106.542   29.746 19.93947 41.47002 
1 1 1  -22    4    5 o  481.645   18.622  456.894   34.951  437.086   47.876  479.496   51.141  470.552   26.072  492.737   26.596 -22.18433 37.24407 
1 1 1  -22    4    6 o  165.375   20.888   55.407   13.095   63.426   18.496   47.347   18.543  179.171   26.453  151.580   32.334 27.59105 41.77602 
1 1 1  -22    4    7 o  355.418   17.780  249.217   24.636  244.922   33.974  253.981   35.777  352.262   24.714  358.573   25.568 -6.310913 35.55969 
1 1 1  -22    4    8 o  313.927   17.826  193.913   21.791  180.599   29.696  209.446   32.075  302.308   25.172  325.546   25.248 -23.23727 35.65207 
1 1 1  -22    4    9 o  229.871   31.159  102.161   25.590   85.435   30.843  139.110   45.841  202.423   40.459  257.318   47.398 -54.89493 62.31746 
1 1 1  -22    4   10 o  375.358   22.490  283.945   31.492  272.155   52.268  290.665   39.458  367.844   36.411  382.871   26.409 -15.02646 44.98024 
1 1 1  -22    4   11 f   82.989   21.809   10.190   9.8287   1.5304   15.369   16.181   12.785   73.892   31.161   92.086   30.520 -18.19405 43.61744 
1 1 1  -22    4   12 o  234.548   26.300  117.845   21.775   98.069   36.439  128.829   27.157  214.751   44.924  254.344   27.361 -39.59352 52.60046 
1 1 1  -22    4   13 o  113.714   23.235   25.030   12.568   3.4861   18.400   43.871   17.207   82.246   34.352  145.182   31.294 -62.93681 46.46920 
1 1 1  -22    4   14 o  425.865   35.809  368.884   59.511   0.0000   0.0000  368.884   59.511  ?   ?   425.865   35.809      ?      ? 
1 1 1  -22    4   15 o  218.340   21.440   95.931   18.229  104.921   26.308   87.629   25.283  228.345   29.523  208.336   31.097 20.00916 42.87946 
1 1 1  -22    4   16 f  165.214   23.802   54.856   15.037   75.253   23.232   40.150   19.727  192.893   30.863  137.534   36.245 55.35941 47.60491 
1 1 1  -22    4   17 o  497.783   20.085  499.311   38.983  524.798   55.320  474.172   54.942  510.758   27.755  484.807   29.040 25.95071 40.17042 
1 1 1  -22    4   18 o  442.191   19.989  392.290   34.400  367.889   46.599  421.510   50.994  427.318   27.944  457.064   28.590 -29.74619 39.97841 
1 1 1  -22    4   19 f   86.207   23.835   9.3809   12.072  -3.5094   20.216   16.525   15.050   78.067   34.328   94.347   33.075 -16.28004 47.66930 
1 1 1  -22    4   20 o  223.153   22.859  101.962   19.894  106.979   28.463   97.170   27.817  228.657   31.898  217.649   32.751 11.00835 45.71790 
1 1 1  -22    4   21 o  126.813   37.568  -4.9264   26.733 -23.0315   29.980   65.346   59.064   81.824   38.178  171.801   64.714 -89.97651 75.13637 
1 1 1  -22    4   22 o  232.720   23.746  112.810   21.555  108.089   30.192  117.718   30.782  227.572   33.997  237.868   33.161 -10.29616 47.49168 
1 1 1  -22    4   23 o  206.437   26.692   92.707   20.666   97.497   30.463   88.623   28.129  211.108   38.392  201.766   37.092 9.342163 53.38314 
1 1 1  -22    4   24 o  385.783   21.766  307.838   32.683  281.403   44.571  338.582   48.067  367.742   31.058  403.824   30.502 -36.08191 43.53125 
1 1 1  -22    4   25 o  213.982   32.615  105.361   25.747  104.993   42.136  105.580   32.526  209.461   51.831  218.503   39.604 -9.042328 65.22950 
1 1 1  -22    4   26 o  243.508   27.000  129.889   24.854  120.354   36.463  138.164   33.968  231.560   41.893  255.456   34.074 -23.89587 54.00092 
1 1 1  -22    4   27 o  219.137   28.682  107.747   23.711  100.777   35.649  113.276   31.752  208.355   45.148  229.919   35.388 -21.56425 57.36474 
1 1 1  -22    5    1 o  280.757   51.273  164.881   54.106   0.0000   0.0000  164.881   54.106  ?   ?   280.757   51.273      ?      ? 
1 1 1  -22    5    2 o  509.546   22.669  531.441   43.253  587.850   55.893  447.230   68.291  545.738   26.245  473.354   36.970 72.38431 45.33801 
1 1 1  -22    5    3 o  511.527   19.037  516.268   37.948  505.776   52.100  528.122   55.383  506.124   26.378  516.931   27.455 -10.80661 38.07324 
1 1 1  -22    5    4 o  418.347   18.098  344.398   29.491  329.068   40.239  362.188   43.348  408.384   25.249  428.311   25.935 -19.92758 36.19564 
1 1 1  -22    5    5 o  532.115   19.256  557.103   39.864  524.398   53.874  596.677   59.263  515.054   26.804  549.175   27.653 -34.12189 38.51124 
1 1 1  -22    5    6 o  865.814   23.717  1490.30   79.983  1436.11  109.133  1553.17  117.562  849.181   32.933  882.446   34.139 -33.26514 47.43428 
1 1 1  -22    5    7 o  228.678   18.810  103.453   16.763  102.824   23.079  104.156   24.387  228.022   25.936  229.334   27.250 -1.312729 37.61959 
1 1 1  -22    5    8 o  385.857   25.268  303.087   33.326  308.528   38.960  288.249   64.338  394.967   25.277  376.747   43.761 18.21991 50.53669 
1 1 1  -22    5    9 o  270.030   50.973  154.821   51.745   0.0000   0.0000  154.821   51.745  ?   ?   270.030   50.973      ?      ? 
1 1 1  -22    5   10 o  450.947   18.981  403.453   33.358  397.145   45.865  410.537   48.605  447.374   26.271  454.520   27.403 -7.146606 37.96150 
1 1 1  -22    5   11 o  370.103   19.100  272.356   27.530  270.711   37.703  274.235   40.292  369.122   26.174  371.084   27.824 -1.962036 38.20029 
1 1 1  -22    5   12 o  305.768   28.905  186.859   34.491   0.0000   0.0000  186.859   34.491  ?   ?   305.768   28.905      ?      ? 
1 1 1  -22    5   13 o  326.152   28.252  212.826   35.958   0.0000   0.0000  212.826   35.958  ?   ?   326.152   28.252      ?      ? 
1 1 1  -22    5   14 f  393.259   26.422  317.068   40.307  308.376   59.813  324.299   54.554  387.204   39.584  399.314   35.009 -12.11035 52.84475 
1 1 1  -22    5   15 o  434.465   19.827  376.993   33.504  354.433   45.189  404.534   49.930  420.323   27.550  448.608   28.521 -28.28546 39.65380 
1 1 1  -22    5   16 o  300.055   20.381  180.075   23.758  158.892   32.201  205.384   35.197  280.637   29.403  319.474   28.232 -38.83694 40.76266 
1 1 1  -22    5   17 o  627.423   21.680  797.390   52.969  794.577   72.545  800.601   77.522  626.990   29.649  627.855   31.640 -0.8644409 43.36077 
1 1 1  -22    5   18 o  144.333   26.880   44.287   15.311   49.567   22.860   39.991   20.619  151.827   38.521  136.838   37.499 14.98869 53.75922 
1 1 1  -22    5   19 o  331.314   21.121  224.352   26.923  267.664   38.246  181.807   37.906  364.458   26.891  298.169   32.577 66.28958 42.24170 
1 1 1  -22    5   20 o  198.113   40.258   60.917   24.246   47.472   25.933  154.250   68.328  147.351   42.655  248.874   68.290 -101.5226 80.51656 
1 1 1  -22    5   21 o  150.385   30.957   53.963   19.971   25.737   37.262   65.339   23.656  126.681   50.365  174.088   36.009 -47.40650 61.91329 
1 1 1  -22    5   22 f  310.387   21.793  199.025   26.392  195.543   36.874  202.682   37.791  307.665   30.712  313.109   30.928 -5.443268 43.58666 
1 1 1  -22    5   23 o  214.121   28.172  101.721   22.737   82.432   32.870  119.419   31.485  189.828   45.048  238.414   33.841 -48.58591 56.34311 
1 1 1  -22    5   24 f  224.390   28.204  112.621   23.441   74.475   32.912  151.895   33.395  179.024   46.641  269.755   31.723 -90.73180 56.40709 
1 1 1  -22    5   25 o  192.743   33.209   90.535   25.178   65.141   42.530  104.238   31.241  164.405   55.679  221.081   36.211 -56.67670 66.41821 
1 1 1  -22    5   26 o  356.790   23.665  267.437   32.649  319.458   47.998  222.640   44.541  390.462   31.500  323.118   35.324 67.34457 47.32907 
1 1 1  -22    5   27 o  219.424   29.768  108.880   24.678  106.003   37.580  111.062   32.723  212.397   46.618  226.450   37.030 -14.05296 59.53537 
1 1 1  -22    6    1 f  506.069   25.447  529.783   45.799  560.966   55.511  463.308   81.048  532.812   26.698  479.325   43.329 53.48639 50.89390 
1 1 1  -22    6    2 o  262.334   47.202  118.094   22.056  115.689   22.474  180.897  114.853  242.267   23.772  282.402   91.362 -40.13521 94.40377 
1 1 1  -22    6    3 o  528.686   23.776  532.450   44.638  500.673   52.432  616.131   85.087  503.268   26.697  554.104   39.350 -50.83521 47.55139 
1 1 1  -22    6    4 o  208.942   31.285   74.295   18.881   67.264   20.380  116.878   50.154  184.277   28.340  233.607   55.785 -49.33026 62.57083 
1 1 1  -22    6    5 o  214.992   18.860   91.245   15.802   87.737   21.664   95.233   23.098  210.621   26.358  219.364   26.982 -8.743088 37.71989 
1 1 1  -22    6    6 o  649.222   20.700  836.801   52.418  834.290   72.977  839.478   75.342  648.381   28.842  650.064   29.699 -1.683716 41.39927 
1 1 1  -22    6    7 o  404.679   18.436  324.359   29.061  326.602   39.988  321.847   42.307  406.351   25.217  403.007   26.901 3.344604 36.87215 
1 1 1  -22    6    8 o  428.153   24.566  325.707   34.572  294.232   38.702  450.021   76.914  385.412   25.732  470.893   41.855 -85.48111 49.13234 
1 1 1  -22    6    9 o  263.557   21.559  135.564   21.657  152.664   35.354  125.293   27.400  276.103   32.812  251.012   27.972 25.09134 43.11710 
1 1 1  -22    6   10 o  465.044   19.148  430.187   34.714  431.543   48.067  428.708   50.187  466.018   26.431  464.069   27.713 1.949799 38.29615 
1 1 1  -22    6   11 o  180.131   25.588   67.137   17.066   65.766   28.070   67.941   21.495  175.995   41.538  184.266   29.892 -8.270172 51.17596 
1 1 1  -22    6   12 o  370.001   29.960  274.552   43.259   0.0000   0.0000  274.552   43.259  ?   ?   370.001   29.960      ?      ? 
1 1 1  -22    6   13 o  320.561   26.044  216.665   30.672  185.344   50.553  234.913   38.586  298.912   43.339  342.209   28.894 -43.29706 52.08739 
1 1 1  -22    6   14 o  407.860   22.213  333.509   34.128  326.084   42.815  346.446   56.519  403.445   27.195  412.276   35.130 -8.831055 44.42567 
1 1 1  -22    6   15 o  324.520   19.933  210.762   25.183  194.078   34.321  230.220   37.065  310.632   28.313  338.409   28.067 -27.77716 39.86653 
1 1 1  -22    6   16 o  229.046   21.955  106.514   19.422   88.117   27.036  126.134   27.920  207.920   33.320  250.172   28.598 -42.25241 43.90999 
1 1 1  -22    6   17 o  173.587   26.292   64.490   17.293   56.269   24.614   72.503   24.300  161.662   39.381  185.513   34.845 -23.85139 52.58344 
1 1 1  -22    6   18 o  185.457   24.830   72.244   17.525   65.200   25.313   78.729   24.287  174.301   38.264  196.613   31.654 -22.31213 49.65973 
1 1 1  -22    6   19 f  146.671   27.147   45.920   15.682   52.988   23.565   40.302   21.009  156.431   38.793  136.912   37.986 19.51912 54.29420 
1 1 1  -22    6   20 o  160.221   42.210   39.600   27.593   29.397   30.112   93.047   68.919  125.126   46.387  195.317   70.534 -70.19150 84.42095 
1 1 1  -22    6   21 o  235.888   23.496  115.867   21.541  104.810   30.523  126.836   30.404  223.894   34.935  247.881   31.430 -23.98720 46.99260 
1 1 1  -22    6   22 o  137.570   26.387   33.176   14.636   70.572   26.489   16.743   17.560  178.740   39.067   96.401   35.482 82.33855 52.77451 
1 1 1  -22    6   23 o  177.870   28.880   70.550   19.338   72.927   30.538   68.959   24.986  178.673   44.072  177.066   37.335 1.607025 57.76041 
1 1 1  -22    6   24 o  179.183   28.389   67.090   19.043   97.301   31.622   49.901   23.853  209.298   40.177  149.068   40.119 60.23013 56.77785 
1 1 1  -22    6   25 o  364.542   30.263  298.907   41.814  253.925   63.220  333.887   55.750  333.560   48.568  395.525   36.119 -61.96555 60.52626 
1 1 1  -22    6   26 o  192.382   31.426   82.076   22.406  100.540   37.661   71.959   27.876  206.674   47.668  178.090   40.964 28.58379 62.85139 
1 1 1  -22    7    1 o  179.646   42.162   52.258   17.088   51.922   17.392   61.617   91.793  159.462   29.017  199.829   79.175 -40.36710 84.32495 
1 1 1  -22    7    2 o  726.193   45.928  1071.59  130.155   0.0000   0.0000  1071.59  130.155  ?   ?   726.193   45.928      ?      ? 
1 1 1  -22    7    3 o  204.685   30.987   42.883   15.414   32.555   16.025  170.448   56.320  125.518   32.471  283.852   52.787 -158.3334 61.97436 
1 1 1  -22    7    4 o  470.852   25.113  417.519   40.049  392.806   45.751  498.533   82.835  445.511   26.315  496.193   42.779 -50.68201 50.22511 
1 1 1  -22    7    5 o  448.013   25.425  386.764   38.326  372.146   43.836  434.190   78.959  433.635   25.904  462.391   43.758 -28.75586 50.85072 
1 1 1  -22    7    6 o  273.191   34.088  173.956   26.876  185.661   30.029  126.835   60.249  306.322   25.121  240.060   63.379 66.26236 68.17609 
1 1 1  -22    7    7 o  151.762   29.754   58.729   18.484   70.427   19.569 -38.1177   56.304  188.426   26.613  115.098   53.226 73.32745 59.50821 
1 1 1  -22    7    8 o   98.857   21.687   18.583   10.891  -3.8655   17.872   31.844   13.736   73.657   32.335  124.056   28.909 -50.39867 43.37393 
1 1 1  -22    7    9 o   54.654   16.617  -0.3822   6.3194 -14.0523   12.971   3.8722   7.2362   52.193   24.593   57.115   22.354 -4.922405 33.23375 
1 1 1  -22    7   10 o  289.084   19.848  166.167   22.295  160.955   29.986  172.609   33.341  284.263   27.032  293.905   29.069 -9.642212 39.69571 
1 1 1  -22    7   11 o  551.104   29.609  608.606   63.677   0.0000   0.0000  608.606   63.677  ?   ?   551.104   29.609      ?      ? 
1 1 1  -22    7   12 o  378.960   28.253  287.639   41.782   0.0000   0.0000  287.639   41.782  ?   ?   378.960   28.253      ?      ? 
1 1 1  -22    7   13 o  316.010   21.584  197.507   26.078  183.405   33.218  220.156   42.098  302.347   28.154  329.672   32.722 -27.32516 43.16727 
1 1 1  -22    7   14 o  526.758   23.540  544.698   45.671  507.882   55.276  623.901   81.075  502.688   28.178  550.827   37.717 -48.13879 47.08059 
1 1 1  -22    7   15 o  286.538   20.817  165.324   23.215  160.615   31.521  170.906   34.318  282.355   28.607  290.721   30.249 -8.365753 41.63376 
1 1 1  -22    7   16 o  164.310   25.446   58.031   15.878   48.860   23.174   66.146   21.799  150.807   39.064  177.814   32.617 -27.00732 50.89122 
1 1 1  -22    7   17 o  388.019   20.592  300.218   30.948  270.127   40.842  340.792   47.425  365.735   28.616  410.303   29.619 -44.56760 41.18481 
1 1 1  -22    7   18 o  160.532   26.600   56.296   16.505   44.217   24.179   66.836   22.587  143.086   41.120  177.978   33.755 -34.89207 53.20012 
1 1 1  -22    7   19 o  148.058   41.324   30.397   21.629   27.524   22.527   64.309   77.391  117.519   40.507  178.598   72.041 -61.07912 82.64796 
1 1 1  -22    7   20 o  104.466   27.079   11.886   12.959   38.617   27.147   3.9979   14.747  134.389   44.470   74.543   30.912 59.84667 54.15829 
1 1 1  -22    7   21 o  327.565   22.290  220.085   28.354  195.542   38.115  250.497   42.429  307.142   31.800  347.987   31.244 -40.84473 44.58023 
1 1 1  -22    7   22 o  269.805   23.121  152.242   24.319  148.629   34.880  155.659   33.924  266.200   33.577  273.410   31.796 -7.209320 46.24234 
1 1 1  -22    7   23 o  101.659   27.016   18.703   14.473   6.7909   26.417   23.812   17.300   96.228   40.731  107.090   35.503 -10.86230 54.03263 
1 1 1  -22    7   24 o  363.920   30.174  297.859   41.464  247.257   62.689  337.214   55.284  329.475   48.757  398.366   35.562 -68.89127 60.34793 
1 1 1  -22    7   25 o  395.871   23.279  328.765   35.778  286.504   49.127  376.497   52.209  367.695   34.237  424.047   31.550 -56.35202 46.55759 
1 1 1  -22    7   26 o  150.140   32.448   53.444   20.404   45.580   36.267   57.086   24.680  141.734   51.169  158.546   39.916 -16.81226 64.89665 
1 1 1  -22    8    1 o  502.123   58.794  526.800   51.943  521.228   53.522  617.118  215.480  512.946   26.738  491.299  114.508 21.64664 117.5879 
1 1 1  -22    8    2 o  470.227   24.612  371.743   37.164  325.856   41.073  579.033   87.296  405.719   25.941  534.734   41.833 -129.0148 49.22387 
1 1 1  -22    8    3 o  282.837   30.909  151.349   24.136  145.295   26.145  186.252   62.777  271.061   24.717  294.612   56.661 -23.55103 61.81753 
1 1 1  -22    8    4 o  252.300   34.157  130.233   23.992  128.995   26.058  137.125   61.472  255.145   26.171  249.455   63.102 5.690216 68.31381 
1 1 1  -22    8    5 o  198.363   35.742   58.626   18.147   52.102   19.015  125.221   60.751  158.872   31.780  237.854   64.031 -78.98178 71.48421 
1 1 1  -22    8    6 f  322.025   34.956  201.591   29.394  195.676   31.561  240.273   80.706  314.138   25.745  329.911   64.999 -15.77316 69.91222 
1 1 1  -22    8    7 o  214.399   34.995   58.373   17.504   50.130   18.166  165.434   65.470  155.795   30.970  273.002   62.766 -117.2072 69.99026 
1 1 1  -22    8    8 o  282.067   34.341  135.484   29.965  115.559   32.961  230.388   71.935  239.323   35.293  324.812   58.922 -85.48886 68.68278 
1 1 1  -22    8    9 o  281.599   38.536  179.357   29.353  183.282   31.831  157.045   75.891  303.313   26.892  259.885   72.229 43.42816 77.07300 
1 1 1  -22    8   10 o  194.157   41.929   40.091   17.726   34.165   18.153  161.579   82.187  127.836   35.249  260.478   76.089 -132.6417 83.85712 
1 1 1  -22    8   11 o  191.655   31.726   71.528   20.158   94.485   43.383   65.207   22.764  206.642   53.410  176.668   34.255 29.97345 63.45124 
1 1 1  -22    8   12 o  314.514   32.560  200.286   39.962   0.0000   0.0000  200.286   39.962  ?   ?   314.514   32.560      ?      ? 
1 1 1  -22    8   13 o  145.646   25.615   45.206   14.526   41.253   21.018   48.821   20.098  139.326   37.728  151.967   34.657 -12.64136 51.23020 
1 1 1  -22    8   14 o  425.084   20.276  365.681   33.465  390.772   46.245  338.098   48.487  441.284   26.854  408.884   30.387 32.40060 40.55285 
1 1 1  -22    8   15 o  208.717   21.773   88.276   17.731   88.815   25.328   87.758   24.832  209.286   31.012  208.148   30.570 1.138275 43.54636 
1 1 1  -22    8   16 o  474.994   20.535  445.654   37.598  390.808   48.760  526.088   59.049  440.120   28.390  509.868   29.677 -69.74774 41.06943 
1 1 1  -22    8   17 o  234.586   24.080  114.215   20.917   83.532   28.657  149.207   30.602  197.631   38.541  271.542   28.879 -73.91052 48.16046 
1 1 1  -22    8   18 o   82.733   21.425   7.9797   11.038 -22.4248   19.725   21.840   13.318   62.767   29.798  102.700   30.792 -39.93344 42.84920 
1 1 1  -22    8   19 o  276.567   44.223  189.618   40.636  195.329   45.915  168.977   87.284  304.613   38.626  248.522   79.567 56.09041 88.44657 
1 1 1  -22    8   20 o   92.928   24.818   14.390   12.474   1.3485   22.562   20.131   14.970   86.025   37.058   99.830   33.022 -13.80482 49.63611 
1 1 1  -22    8   21 o  243.097   24.034  124.026   22.755  121.696   33.005  126.138   31.414  240.309   35.195  245.886   32.738 -5.577042 48.06750 
1 1 1  -22    8   22 o  122.358   28.231   27.346   14.560   47.791   27.108   19.057   17.261  145.301   44.013   99.414   35.367 45.88631 56.46207 
1 1 1  -22    8   23 o  278.487   23.463  161.263   25.343  187.782   37.878  139.772   34.099  299.458   32.413  257.516   33.932 41.94235 46.92503 
1 1 1  -22    8   24 o  224.602   35.670  130.509   29.721   85.754   53.670  150.304   35.693  182.677   62.544  266.528   34.317 -83.85136 71.33989 
1 1 1  -22    8   25 o   81.521   25.360   2.2095   13.124 -14.5865   31.518   5.7324   14.435   87.549   40.247   75.492   30.867 12.05712 50.72067 
1 1 1  -22    9    1 o  182.885   35.585   70.428   17.575   71.868   18.293   53.149   63.364  190.548   24.601  175.222   66.783 15.32533 71.16948 
1 1 1  -22    9    2 o  193.794   36.614   73.115   19.124   72.433   20.048   80.011   63.730  191.012   26.895  196.575   68.110 -5.562546 73.22803 
1 1 1  -22    9    3 o  313.476   33.638  186.200   28.117  178.758   30.245  233.584   76.317  300.232   25.815  326.721   62.127 -26.48987 67.27669 
1 1 1  -22    9    4 o  460.436   28.032  373.957   39.388  343.798   43.076  527.819   97.295  416.079   26.529  504.793   49.391 -88.71408 56.06470 
1 1 1  -22    9    5 o  420.063   34.982  385.104   41.964  395.788   46.284  335.758   99.471  446.285   26.576  393.841   64.721 52.44333 69.96484 
1 1 1  -22    9    6 o  178.244   37.553   42.195   16.285   37.424   16.839  111.162   64.025  133.977   32.533  222.510   67.694 -88.53323 75.10606 
1 1 1  -22    9    7 o  369.282   57.546  291.296   82.929   0.0000   0.0000  291.296   82.929  ?   ?   369.282   57.546      ?      ? 
1 1 1  -22    9    8 o  237.183   39.881  154.665   28.739  167.957   30.536   51.553   85.046  290.219   26.962  184.147   75.066 106.0726 79.76147 
1 1 1  -22    9    9 o  130.413   35.492   30.299   18.306   35.066   18.859 -47.4615   76.172  129.402   36.021  131.425   61.164 -2.023758 70.98324 
1 1 1  -22    9   10 o  229.858   41.550   87.600   23.514   81.113   24.506  162.941   83.517  200.577   31.308  259.140   76.976 -58.56337 83.09969 
1 1 1  -22    9   11 o  401.921   66.574  365.392  104.419   0.0000   0.0000  365.392  104.419  ?   ?   401.921   66.574      ?      ? 
1 1 1  -22    9   12 o  221.666   57.770   70.457   23.523   68.556   23.705  192.891  190.222  180.619   34.894  262.712  110.146 -82.09326 115.5405 
1 1 1  -22    9   13 f  182.351   43.074   61.407   21.578   60.678   22.184   74.206   92.920  169.598   34.689  195.104   78.854 -25.50600 86.14710 
1 1 1  -22    9   14 o  240.613   43.756  142.596   28.693  146.257   29.981  102.725   98.950  269.360   28.522  211.865   82.733 57.49475 87.51115 
1 1 1  -22    9   15 o  119.285   23.125   24.853   11.252   48.792   19.554   13.001   13.759  151.777   33.874   86.794   31.489 64.98222 46.24913 
1 1 1  -22    9   16 o  194.515   24.132   79.124   17.806   71.221   25.611   86.519   24.773  182.711   37.184  206.319   30.769 -23.60780 48.26343 
1 1 1  -22    9   17 o  140.913   26.669   43.181   14.989   37.831   22.712   47.310   19.951  133.093   40.281  148.733   34.964 -15.63968 53.33842 
1 1 1  -22    9   18 o  137.098   39.892   28.387   20.166   29.677   20.707   4.6693   88.795  119.499   38.805  154.698   69.711 -35.19868 79.78361 
1 1 1  -22    9   19 o  156.438   27.653   56.920   17.667   32.516   29.487   70.586   22.067  127.568   46.126  185.307   30.515 -57.73923 55.30670 
1 1 1  -22    9   20 o  420.976   21.523  360.089   35.064  309.118   46.460  427.541   53.446  386.647   30.792  455.304   30.080 -68.65689 43.04591 
1 1 1  -22    9   21 o  263.853   23.483  146.359   24.081  135.015   34.528  157.104   33.601  252.863   34.991  274.843   31.329 -21.98019 46.96672 
1 1 1  -22    9   22 o  387.501   22.380  313.602   33.797  320.959   47.006  305.729   48.626  392.992   30.651  382.012   32.618 10.98010 44.75945 
1 1 1  -22    9   23 o  221.664   34.266   95.490   24.263  155.700   55.082   80.994   27.027  251.375   57.411  191.954   37.424 59.42111 68.53143 
1 1 1  -22    9   24 o  112.262   27.396   26.763   16.151 -10.0077   32.789   38.542   18.558   92.301   41.903  132.222   35.303 -39.92040 54.79175 
1 1 1  -22    9   25 o  267.230   26.111  155.755   26.670  144.052   40.891  164.418   35.183  255.373   41.032  279.087   32.305 -23.71420 52.22247 
1 1 1  -22   10    1 o  459.303   31.001  400.145   41.941  383.724   45.777  485.992  104.667  439.278   26.704  479.327   55.956 -40.04901 62.00144 
1 1 1  -22   10    2 f  165.254   35.951   57.625   18.390   60.576   19.059   17.779   70.032  174.349   28.012  156.159   66.221 18.18956 71.90237 
1 1 1  -22   10    3 o  195.599   38.851   66.445   19.465   63.813   20.234   99.115   71.288  178.777   29.003  212.421   72.085 -33.64380 77.70111 
1 1 1  -22   10    4 o  232.684   43.307  132.462   25.957  136.854   26.831   68.376  102.492  262.292   26.214  203.077   82.552 59.21521 86.61411 
1 1 1  -22   10    5 o  514.607   28.919  460.739   45.000  419.042   49.021  684.107  113.459  458.404   27.403  570.810   50.935 -112.4063 57.83868 
1 1 1  -22   10    6 o  349.674   38.246  231.713   39.973  213.568   43.971  318.116   95.950  324.931   34.677  374.417   68.181 -49.48688 76.49229 
1 1 1  -22   10    7 o  410.658   34.079  280.352   36.484  258.283   38.573  467.708  112.391  359.522   27.493  461.793   62.366 -102.2711 68.15746 
1 1 1  -22   10    8 o  431.355   44.270  386.832   74.520  386.832   74.520   0.0000   0.0000  431.355   44.270  ?   ?       ?      ? 
1 1 1  -22   10    9 o  245.723   45.518  141.116   29.152  143.239   30.315  115.017  106.275  267.008   29.094  224.438   86.261 42.57031 91.03540 
1 1 1  -22   10   10 o  407.135   41.185  345.855   59.489  321.395   69.964  409.685  113.023  391.027   45.850  423.243   68.430 -32.21545 82.37006 
1 1 1  -22   10   11 o  245.218   62.523  117.620   49.099  109.999   50.933  217.782  184.638  219.443   58.436  270.993  110.553 -51.55060 125.0467 
1 1 1  -22   10   12 o  111.573   37.997   0.6453   14.594   1.3483   14.770 -28.2432   94.681   71.824   30.433  151.320   69.634 -79.49611 75.99370 
1 1 1  -22   10   13 o  123.811   38.677   16.190   16.545   17.779   16.801 -34.7733   95.135   98.538   34.910  149.083   69.028 -50.54546 77.35315 
1 1 1  -22   10   14 o  434.542   63.731  431.377  108.072   0.0000   0.0000  431.377  108.072  ?   ?   434.542   63.731      ?      ? 
1 1 1  -22   10   15 o  399.464  152.173  822.489  328.899   0.0000   0.0000  822.489  328.899  ?   ?   399.464  152.173      ?      ? 
1 1 1  -22   10   16 o  348.432   43.948  304.097   39.979  314.919   43.509  245.418  101.316  394.441   28.266  302.422   83.228 92.01904 87.89658 
1 1 1  -22   10   17 o  202.248   46.899   71.351   24.463   67.103   25.170  143.823  103.965  176.297   37.725  228.198   85.878 -51.90089 93.79859 
1 1 1  -22   10   18 o  232.286   48.138  101.773   31.415   91.199   33.025  202.329  101.842  202.798   43.061  261.774   86.109 -58.97668 96.27612 
1 1 1  -22   10   19 o  182.069   40.686   84.549   27.999   90.566   29.380   25.033   92.400  203.809   38.347  160.329   71.770 43.47983 81.37225 
1 1 1  -22   10   20 o  243.619   23.481  123.312   22.219  140.849   32.945  108.679   30.094  259.735   32.504  227.502   33.897 32.23300 46.96266 
1 1 1  -22   10   21 o  418.226   22.476  366.201   36.538  390.932   50.866  339.836   52.519  434.342   30.010  402.111   33.469 32.23111 44.95279 
1 1 1  -22   10   22 o  200.088   32.659  118.816   28.208   7.5734   58.957  151.841   32.123  129.855   57.785  270.320   30.451 -140.4652 65.31799 
1 1 1  -22   10   23 o  213.266   26.391   90.588   20.683  142.170   35.103   63.157   25.598  258.855   34.750  167.677   39.729 91.17805 52.78216 
1 1 1  -22   10   24 o  268.404   25.492  152.546   26.508  171.872   40.573  138.151   35.015  282.539   36.798  254.270   35.288 28.26875 50.98399 
1 1 1  -22   11    1 o  229.674   39.215   74.530   19.956   67.599   20.613  178.184   79.712  183.833   28.733  275.516   72.978 -91.68382 78.43084 
1 1 1  -22   11    2 o  527.179   34.278  473.963   47.014  441.144   49.759  747.038  143.534  470.199   27.118  584.159   62.964 -113.9607 68.55555 
1 1 1  -22   11    3 o  423.799   49.141  487.349   50.971  523.804   55.521  291.871  128.565  511.982   27.789  335.616   94.273 176.3658 98.28284 
1 1 1  -22   11    4 o  398.189   31.774  215.311   32.049  186.658   33.526  519.143  109.171  305.451   28.126  490.927   56.985 -185.4758 63.54810 
1 1 1  -22   11    5 o  364.733   83.510  327.064  116.301   0.0000   0.0000  327.064  116.301  ?   ?   364.733   83.510      ?      ? 
1 1 1  -22   11    6 f  324.001   45.871  287.084   39.225  306.794   42.289  165.670  104.959  391.453   27.683  256.549   87.466 134.9039 91.74206 
1 1 1  -22   11    7 f  256.897   45.067  104.188   25.907   96.134   26.780  221.737  102.304  218.193   31.451  295.602   84.469 -77.40970 90.13436 
1 1 1  -22   11    8 o  265.950   58.481   89.996   47.788   57.027   50.537  368.532  146.893  167.272   60.401  364.628  100.160 -197.3560 116.9625 
1 1 1  -22   11    9 o  197.921   53.526   74.782   46.902   69.221   51.345  102.808  115.271  178.361   61.172  217.480   87.852 -39.11897 107.0516 
1 1 1  -22   11   10 o  233.564   56.586   86.797   24.121   84.854   24.331  197.828  183.951  204.852   30.437  262.277  109.003 -57.42514 113.1726 
1 1 1  -22   11   11 o  209.005   58.772   86.540   50.315   87.016   52.376   80.842  181.150  194.899   61.554  223.112  100.138 -28.21298 117.5442 
1 1 1  -22   11   12 o  162.471   53.449   15.924   17.251   14.957   17.337  113.155  173.854   94.828   35.190  230.114  100.939 -135.2857 106.8970 
1 1 1  -22   11   13 o  259.051   54.853  160.452   32.097  161.410   32.513  123.805  201.186  282.447   29.498  235.655  105.666 46.79266 109.7060 
1 1 1  -22   11   14 o  310.741   47.353  193.220   32.819  185.753   34.187  280.927  117.167  302.978   28.915  318.503   90.184 -15.52533 94.70586 
1 1 1  -22   11   15 o  204.876   57.062   58.132   22.738   56.301   22.893  191.629  195.508  161.805   37.054  247.947  107.942 -86.14169 114.1249 
1 1 1  -22   11   16 o  185.698   36.191   98.757   25.984  111.114   26.866 -80.3101  102.269  233.528   29.480  137.868   66.106 95.66003 72.38116 
1 1 1  -22   11   17 o  260.410   49.013  145.712   35.121  138.262   36.944  215.653  113.192  256.565   36.899  264.255   90.816 -7.690155 98.02596 
1 1 1  -22   11   18 o  268.987   42.031  175.677   32.225  176.434   34.851  171.219   84.626  292.446   30.538  245.529   78.318 46.91684 84.06112 
1 1 1  -22   11   19 o  172.656   37.362   76.287   25.470   83.350   27.383   30.958   69.370  195.439   37.263  149.873   64.770 45.56587 74.72401 
1 1 1  -22   11   20 o  115.548   36.859  -1.1961   21.288  -5.6011   22.444   38.294   67.199   79.287   35.440  151.809   64.639 -72.52256 73.71709 
1 1 1  -22   11   21 o  134.342   36.311   37.958   25.424   48.415   27.250 -32.3204   70.641  145.956   44.109  122.729   57.693 23.22707 72.62281 
1 1 1  -22   11   22 o  302.104   55.247  335.185   75.527  368.254   82.187  155.593  191.527  396.196   53.157  208.012   96.867 188.1839 110.4941 
1 1 1  -22   11   23 o  484.478   34.697  584.199   57.191  706.323   72.269  379.581   93.546  579.865   31.937  389.091   61.609 190.7738 69.39483 
1 1 1  -22   11   24 o  221.090   38.040  152.392   36.361  183.432   40.732   30.593   80.686  291.994   35.746  150.187   67.160 141.8069 76.08012 
1 1 1  -22   12    1 o  208.576   50.842   64.080   19.898   62.690   20.096  133.659  142.180  176.688   29.146  240.465   97.417 -63.77733 101.6839 
1 1 1  -22   12    2 o  164.993   41.019   48.511   19.275   48.931   19.757   40.235   87.789  152.530   34.054  177.457   74.636 -24.92691 82.03743 
1 1 1  -22   12    3 o  269.444   45.209  184.161   32.030  190.253   33.679  126.462  103.655  308.051   28.016  230.837   85.969 77.21489 90.41834 
1 1 1  -22   12    4 o  387.618   77.105  361.458  112.528   0.0000   0.0000  361.458  112.528  ?   ?   387.618   77.105      ?      ? 
1 1 1  -22   12    5 o  424.724   36.700  339.604   41.485  323.102   44.288  457.731  118.492  401.122   28.293  448.327   67.727 -47.20520 73.39927 
1 1 1  -22   12    6 o  226.457   44.689  114.893   25.847  116.033   26.656   96.969  105.694  240.260   28.430  212.653   84.737 27.60703 89.37878 
1 1 1  -22   12    7 o  512.316   70.427  609.414  140.801   0.0000   0.0000  609.414  140.801  ?   ?   512.316   70.427      ?      ? 
1 1 1  -22   12    8 o  209.412   53.545   58.546   21.317   56.012   21.536  181.027  149.721  162.747   34.953  256.076  101.226 -93.32957 107.0906 
1 1 1  -22   12    9 o  311.839   57.586  258.589   39.351  260.678   40.155  208.001  197.615  359.648   28.611  264.029  111.562 95.61960 115.1720 
1 1 1  -22   12   10 o  160.652   53.129   16.471   15.535   15.825   15.594  100.469  177.905   93.977   33.596  227.327  100.807 -133.3499 106.2575 
1 1 1  -22   12   11 o  173.649   50.240   53.626   49.128   66.400   54.041  -7.2044  117.929  175.231   62.552  172.066   78.635 3.164749 100.4798 
1 1 1  -22   12   12 o  242.125   49.956  123.343   32.488  120.716   33.649  159.466  124.781  242.186   35.603  242.064   93.353 0.1216736 99.91196 
1 1 1  -22   12   13 o  239.387   47.981  133.661   29.070  134.383   29.858  120.527  127.342  257.345   29.731  221.430   91.241 35.91405 95.96249 
1 1 1  -22   12   14 o  276.344   46.622  220.473   35.175  230.199   36.752  114.365  121.392  337.228   27.927  215.459   88.964 121.7684 93.24454 
1 1 1  -22   12   15 o  181.755   54.414   43.312   20.043   42.560   20.140  120.729  204.330  140.359   36.446  223.151  102.543 -82.79181 108.8273 
1 1 1  -22   12   16 o  219.714   49.581  108.425   31.631  107.595   32.469  123.894  140.202  226.295   36.767  213.132   92.094 13.16290 99.16187 
1 1 1  -22   12   17 o  170.870   40.635   72.082   27.648   78.541   28.850  -0.6102   96.783  188.439   40.443  153.301   70.493 35.13736 81.27023 
1 1 1  -22   12   18 o  182.152   40.303   79.895   25.507   82.039   26.866   60.287   81.248  194.093   36.817  170.212   71.706 23.88118 80.60546 
1 1 1  -22   12   19 o  409.140   43.007  415.719   64.657  472.353   87.199  346.559   96.362  455.940   49.009  362.340   70.687 93.59991 86.01469 
1 1 1  -22   12   20 o  133.217   40.073   18.869   22.275   15.154   23.305   58.163   75.785  100.667   39.891  165.767   69.513 -65.10050 80.14575 
1 1 1  -22   12   21 o  184.972   50.760   93.501   59.656  129.770   66.580 -54.1852  134.353  216.843   69.499  153.101   74.003 63.74123 101.5209 
1 1 1  -22   12   22 o  198.380   42.730   93.872   31.334   88.317   34.966  116.524   70.607  194.345   46.688  202.415   71.580 -8.070145 85.46069 
1 1 1  -22   12   23 o  179.674   38.314   91.515   32.214  110.291   35.958   15.157   72.511  219.340   43.545  140.008   63.052 79.33127 76.62743 
1 1 1  -22   13    1 o  411.310   57.932  323.304   44.172  310.379   45.418  549.211  189.886  392.366   29.663  430.254  112.002 -37.88806 115.8634 
1 1 1  -22   13    2 o  195.939   49.270   38.711   15.967   36.130   16.110  182.341  120.177  131.064   31.818  260.815   93.262 -129.7507 98.54024 
1 1 1  -22   13    3 o  231.465   44.901  127.777   31.144  131.345   32.666   92.149  103.228  254.219   32.928  208.710   83.548 45.50929 89.80231 
1 1 1  -22   13    4 o  188.725   46.770   43.307   18.129   40.147   18.405  146.232  105.036  137.706   34.361  239.743   87.000 -102.0372 93.53943 
1 1 1  -22   13    5 o  128.516   40.846   14.131   14.291   14.402   14.432   0.5085  102.293   90.212   32.313  166.820   75.030 -76.60831 81.69264 
1 1 1  -22   13    6 o  339.553   52.544  267.435   61.786  254.298   71.840  304.767  121.102  341.751   53.867  337.355   90.231 4.395874 105.0872 
1 1 1  -22   13    7 o  123.821   39.738   14.118   14.621   15.145   14.761 -39.2283  106.408   91.839   32.702  155.803   72.437 -63.96373 79.47631 
1 1 1  -22   13    8 o  340.628   29.633  234.558   39.391  234.558   39.391   0.0000   0.0000  340.628   29.633  ?   ?       ?      ? 
1 1 1  -22   13    9 o  138.365   49.471   3.4064   13.092   3.2348   13.130   32.950  172.241   70.506   29.197  206.225   94.537 -135.7188 98.94272 
1 1 1  -22   13   10 o  129.119   45.756   7.6072   14.110   8.3144   14.154 -105.1667  178.738   79.858   31.261  178.380   86.007 -98.52267 91.51183 
1 1 1  -22   13   11 o  175.381   58.164 -15.7463   59.348 -32.0615   62.774  121.599  182.133  120.961   56.030  229.802  101.946 -108.8413 116.3287 
1 1 1  -22   13   12 o  248.306   54.477  147.004   33.023  147.956   33.445  110.041  208.452  269.074   31.852  227.538  104.194 41.53615 108.9539 
1 1 1  -22   13   13 o  379.898   66.983  398.465   49.803  394.896   50.750  491.375  258.931  440.454   29.526  319.341  130.671 121.1134 133.9652 
1 1 1  -22   13   14 o  251.685   43.490  198.383   35.651  213.260   37.191   29.863  125.172  323.178   29.489  180.191   81.829 142.9868 86.98024 
1 1 1  -22   13   15 o  280.623   47.920  181.330   32.508  177.543   33.915  224.158  114.052  294.267   29.534  266.980   91.175 27.28745 95.83941 
1 1 1  -22   13   16 o  238.483   79.846  165.262   87.453   0.0000   0.0000  165.262   87.453  ?   ?   238.483   79.846      ?      ? 
1 1 1  -22   13   17 o  208.583   40.205  109.216   28.480  112.441   30.647   88.801   77.108  231.389   33.940  185.777   72.896 45.61226 80.40954 
1 1 1  -22   13   18 f  145.470   38.537   43.792   22.677   45.950   23.794   22.435   74.860  143.170   40.677  147.771   65.466 -4.600815 77.07417 
1 1 1  -22   13   19 o  141.781   35.275   48.195   24.263   59.502   25.568 -54.1104   76.908  162.654   40.451  120.909   57.801 41.74502 70.54939 
1 1 1  -22   13   20 o  154.503   50.355   18.239   59.997   19.827   66.975   11.787  135.001  141.185   62.266  167.820   79.155 -26.63484 100.7106 
1 1 1  -22   13   21 o  202.264   49.537  100.103   32.682   99.617   33.415  110.806  156.840  209.834   42.269  194.694   89.604 15.14015 99.07356 
1 1 1  -22   13   22 o  140.529   34.371   46.269   28.711   72.304   31.271 -93.5374   72.464  175.656   45.318  105.401   51.689 70.25436 68.74255 
1 1 1  -22   14    1 o  177.507   48.367   52.132   56.312  109.356   66.004 -100.9320  107.949  214.426   69.247  140.588   67.544 73.83841 96.73373 
1 1 1  -22   14    2 o  189.657   47.161   64.488   23.068   64.026   23.492   76.935  121.889  173.858   35.817  205.455   87.258 -31.59691 94.32301 
1 1 1  -22   14    3 o  224.058   48.112  112.454   27.711  113.852   28.290   79.289  137.769  237.094   30.575  211.022   91.236 26.07234 96.22346 
1 1 1  -22   14    4 o  210.076   60.347   86.001   65.114   76.102   72.441  127.646  148.588  188.652   71.524  231.499   97.218 -42.84763 120.6943 
1 1 1  -22   14    5 o  184.921   41.376   76.865   23.670   80.496   24.281   7.5001  106.122  199.141   31.245  170.700   76.627 28.44186 82.75271 
1 1 1  -22   14    6 o  249.977   45.959  101.790   26.571   93.594   27.494  217.738  103.411  214.228   32.888  285.727   85.833 -71.49898 91.91830 
1 1 1  -22   14    7 o  297.350   58.066  220.279   38.837  220.130   39.602  224.033  198.575  329.303   30.817  265.397  111.969 63.90594 116.1327 
1 1 1  -22   14    8 o  170.271   53.291   32.455   18.520   32.268   18.600   53.945  199.395  123.686   36.217  216.857  100.241 -93.17146 106.5826 
1 1 1  -22   14    9 o  235.040   60.443   79.569   25.664   76.275   25.872  281.732  202.690  189.495   36.309  280.586  115.304 -91.09137 120.8859 
1 1 1  -22   14   10 o  171.113   51.108   41.703   19.867   42.119   19.966   0.3827  199.074  140.104   36.244  202.122   95.574 -62.01785 102.2160 
1 1 1  -22   14   11 o  227.144   51.837  120.818   29.990  122.522   30.307   40.577  207.938  244.618   31.748  209.669   98.694 34.94936 103.6743 
1 1 1  -22   14   12 o  291.247   62.931  174.714   34.501  169.680   34.900  391.179  228.848  287.739   31.081  294.755  121.964 -7.015533 125.8615 
1 1 1  -22   14   13 o  281.742   35.078  165.604   38.567  165.604   38.567   0.0000   0.0000  281.742   35.078  ?   ?       ?      ? 
1 1 1  -22   14   14 o  150.749   34.112   59.530   22.933   71.074   23.600 -136.2004   97.180  181.972   34.496  119.526   58.861 62.44597 68.22459 
1 1 1  -22   14   15 o  227.198   37.678  159.652   37.459  198.794   41.955   5.8124   83.175  307.361   34.979  147.035   66.745 160.3260 75.35557 
1 1 1  -22   14   16 o  291.952   47.546  303.556   44.355  319.651   45.791   58.867  178.543  393.172   29.844  190.733   90.286 202.4391 95.09106 
1 1 1  -22   14   17 o  147.182   45.339   30.953   21.026   31.103   21.264   24.353  141.076  120.389   39.334  173.974   81.702 -53.58501 90.67705 
1 1 1  -22   14   18 o  204.181   43.065  118.425   30.354  124.576   30.921 -44.4577  159.123  243.845   32.495  164.516   79.764 79.32872 86.12940 
1 1 1  -22   14   19 o  178.722   52.466   78.596   66.146  116.904   73.417 -86.5722  152.447  203.196   72.869  154.248   75.503 48.94818 104.9314 
1 1 1  -22   14   20 o  248.608   53.899  159.625   37.947  155.912   38.814  239.998  180.587  269.365   36.924  227.851  101.276 41.51401 107.7971 
1 1 1  -22   14   21 o  250.414   36.449  211.459   40.006  272.768   45.495   2.4004   84.011  359.347   32.443  141.481   65.282 217.8666 72.89884 
1 1 1  -22   15    1 o  317.496   64.665  271.614   75.904  265.692   84.804  295.468  170.202  334.772   67.248  300.220  110.471 34.55154 129.3301 
1 1 1  -22   15    2 o  173.927   54.790   21.215   65.870   15.640   75.627   38.735  134.073  153.930   67.071  193.925   86.656 -39.99596 109.5796 
1 1 1  -22   15    3 o  288.009   60.691  250.838   78.948  286.288   88.887  118.390  171.812  346.737   68.121  229.281  100.465 117.4550 121.3822 
1 1 1  -22   15    4 o  188.555   49.283   63.198   22.860   63.467   23.115   51.224  154.357  172.918   35.445  204.191   91.972 -31.27315 98.56604 
1 1 1  -22   15    5 o  292.879   57.585  204.393   37.918  202.798   38.725  241.440  186.658  315.583   31.445  270.174  110.794 45.40878 115.1699 
1 1 1  -22   15    6 o  135.523   48.582   5.4206   12.255   5.3839   12.285   12.910  175.474   71.664   28.774  199.381   92.805 -127.7163 97.16335 
1 1 1  -22   15    7 o  320.017   66.658  189.205   37.249  181.465   37.721  492.810  236.244  297.802   32.458  342.231  129.305 -44.42908 133.3168 
1 1 1  -22   15    8 o  305.267   46.327  225.377   36.466  226.668   38.821  215.698  106.313  333.824   29.800  276.709   87.730 57.11554 92.65334 
1 1 1  -22   15    9 o  176.222   38.861   75.134   24.239   81.069   25.025 -14.9710   97.510  198.740   32.266  153.704   70.707 45.03612 77.72134 
1 1 1  -22   15   10 o  259.778   57.725  153.023   32.424  151.450   32.769  226.489  223.960  271.875   30.886  247.681  111.242 24.19414 115.4503 
1 1 1  -22   15   11 o  342.313   57.085  409.662   53.466  419.440   54.632  188.086  260.076  451.647   30.997  232.979  109.881 218.6686 114.1697 
1 1 1  -22   15   12 o  249.890   35.354  130.922   34.476  130.922   34.476   0.0000   0.0000  249.890   35.354  ?   ?       ?      ? 
1 1 1  -22   15   13 o  197.186   43.314   87.209   26.832   85.740   28.128  102.054   89.409  198.374   37.713  195.997   77.987 2.377579 86.62727 
1 1 1  -22   15   14 o  166.087   37.185   73.562   26.592   84.367   27.876 -35.6650   88.631  196.375   37.748  135.798   64.077 60.57663 74.36935 
1 1 1  -22   15   15 o  166.001   34.390   76.087   26.915   92.348   28.322 -75.4817   86.469  209.136   34.703  122.866   59.383 86.26974 68.78012 
1 1 1  -22   15   16 o  127.118   49.256 -11.0101   13.584 -11.4724   13.613   96.495  207.607   55.244   25.759  198.993   95.084 -143.7488 98.51151 
1 1 1  -22   15   17 o  105.731   35.331   3.6073   17.272   5.7874   17.613 -51.1349   88.258   81.539   33.795  129.923   62.057 -48.38425 70.66285 
1 1 1  -22   15   18 o  160.812   53.605   9.8545   68.120  -1.1260   75.073   61.038  162.082  136.847   62.615  184.778   87.025 -47.93114 107.2098 
1 1 1  -22   15   19 o  157.940   46.510   46.560   25.697   47.585   26.028   6.9787  161.732  144.324   42.996  171.557   82.488 -27.23335 93.02085 
1 1 1  -22   15   20 o  151.671   37.157   59.979   28.069   73.403   29.388 -79.5922   94.759  178.454   42.760  124.888   60.781 53.56594 74.31465 
1 1 1  -22   16    1 o  191.550   57.161   69.234   72.416   90.359   85.591   16.017  135.849  198.325   77.083  184.775   84.425 13.54951 114.3218 
1 1 1  -22   16    2 o  246.909   67.163  153.149   77.766  130.940   86.810  243.389  174.987  225.081   79.394  268.738  108.353 -43.65691 134.3268 
1 1 1  -22   16    3 o  383.910   74.637  385.223   91.572  343.905   99.214  622.855  237.934  375.620   70.268  392.201  131.701 -16.58160 149.2743 
1 1 1  -22   16    4 o  276.909   61.106  246.598   87.671  305.418   99.869   48.972  183.059  346.871   75.889  206.947   95.796 139.9238 122.2127 
1 1 1  -22   16    5 o  138.115   49.139   4.3209   12.573   3.9795   12.609   64.384  167.263   70.171   28.788  206.058   93.967 -135.8867 98.27775 
1 1 1  -22   16    6 o  241.094   56.887  109.748   29.052  107.006   29.388  227.588  192.674  227.982   33.032  254.206  108.874 -26.22423 113.7749 
1 1 1  -22   16    7 o  223.979   59.374   73.980   24.426   71.033   24.600  280.757  206.042  182.092   35.894  265.867  113.194 -83.77481 118.7489 
1 1 1  -22   16    8 o  259.204   75.870  187.713   97.536  142.235  105.990  439.182  249.233  223.715   86.104  294.693  124.945 -70.97824 151.7406 
1 1 1  -22   16    9 o  162.286   50.316   34.843   17.535   34.941   17.598   21.086  208.211  127.304   34.543  197.269   94.518 -69.96513 100.6324 
1 1 1  -22   16   10 o  393.854   30.255  319.423   46.502  319.423   46.502   0.0000   0.0000  393.854   30.255  ?   ?       ?      ? 
1 1 1  -22   16   11 o   31.441   15.588 -16.9129   7.2339 -16.9129   7.2339   0.0000   0.0000   31.441   15.588  ?   ?       ?      ? 
1 1 1  -22   16   12 o  159.547   52.466   23.451   17.978   22.273   18.059  153.531  189.801  105.284   36.269  213.811   98.465 -108.5272 104.9324 
1 1 1  -22   16   13 o  157.738   41.825   49.725   22.367   50.425   22.957   36.626   99.277  150.477   38.833  164.999   74.089 -14.52188 83.64906 
1 1 1  -22   16   14 o  155.189   42.889   40.158   19.323   39.176   19.678   66.689  102.260  133.330   36.673  177.048   77.544 -43.71820 85.77853 
1 1 1  -22   16   15 o   93.167   33.619  -3.1392   11.877  -1.6172   11.953 -121.8956  105.583   60.683   26.546  125.651   61.776 -64.96764 67.23775 
1 1 1  -22   16   16 o  337.635   66.133  484.918  109.153  501.245  117.374  380.456  296.887  438.948   68.521  236.322  113.133 202.6260 132.2661 
1 1 1  -22   16   17 o  235.378   62.082  210.869   86.861  237.930   95.412   79.858  209.932  277.890   82.213  192.865   93.046 85.02492 124.1637 
1 1 1  -22   16   18 o  224.094   48.393  142.242   36.236  144.643   37.010   86.602  178.188  259.378   36.564  188.810   89.613 70.56873 96.78521 
1 1 1  -22   16   19 o  206.312   47.769   96.388   30.580   90.679   31.869  162.697  108.617  198.964   42.346  213.661   85.640 -14.69711 95.53741 
1 1 1  -22   17    1 o  209.178   61.534  110.513   79.977  118.854   93.170   87.156  155.908  212.157   80.951  206.199   92.696 5.958160 123.0678 
1 1 1  -22   17    2 o  259.317   64.050  215.578   84.879  243.403   99.008  138.418  164.871  296.108   82.572  222.526   97.937 73.58168 128.1005 
1 1 1  -22   17    3 o  235.683   65.257  167.195   84.479  170.341   97.783  157.937  167.751  243.470   84.367  227.897   99.579 15.57294 130.5131 
1 1 1  -22   17    4 o  335.753   70.956  365.875   93.877  354.580  104.414  413.516  214.438  369.882   74.906  301.625  120.532 68.25726 141.9116 
1 1 1  -22   17    5 o  535.599   57.229  664.635  119.615  664.635  119.615   0.0000   0.0000  535.599   57.229  ?   ?       ?      ? 
1 1 1  -22   17    6 o  186.465   60.507   42.493   80.414   24.965   89.117  119.311  186.568  159.959   71.120  212.970   97.909 -53.01154 121.0133 
1 1 1  -22   17    7 o  203.377   57.608   61.153   23.271   58.868   23.409  253.363  214.697  164.018   37.402  242.735  108.976 -78.71629 115.2160 
1 1 1  -22   17    8 o  358.402   31.237  265.989   43.690  265.989   43.690   0.0000   0.0000  358.402   31.237  ?   ?       ?      ? 
1 1 1  -22   17    9 o  188.370   33.990   76.180   24.067   76.180   24.067   0.0000   0.0000  188.370   33.990  ?   ?       ?      ? 
1 1 1  -22   17   10 f  185.415   58.327   75.859   77.966   86.652   86.151   27.022  183.258  185.067   75.510  185.763   88.918 -0.6967316 116.6535 
1 1 1  -22   17   11 o  136.883   43.066   27.131   18.304   28.883   18.401 -137.0543  178.101  116.075   36.462  157.691   78.033 -41.61568 86.13142 
1 1 1  -22   17   12 o  187.341   50.568   68.865   24.789   68.359   24.998   98.841  192.361  176.092   37.525  198.589   93.918 -22.49738 101.1369 
1 1 1  -22   17   13 o  170.286   50.277   48.822   22.727   48.572   22.874   68.077  201.065  147.417   39.115  193.155   92.635 -45.73854 100.5549 
1 1 1  -22   17   14 o  124.938   39.206   20.716   17.064   22.377   17.248 -55.7511  117.033  104.586   35.458  145.290   69.936 -40.70435 78.41135 
1 1 1  -22   17   15 o  177.435   54.229   71.869   71.607  106.363   89.989   12.326  118.233  192.983   77.739  161.887   75.629 31.09540 108.4579 
1 1 1  -22   17   16 o  130.268   45.847   9.0201   15.614   8.8277   15.679   32.268  172.358   81.928   32.640  178.608   85.688 -96.67998 91.69366 
1 1 1  -22   17   17 o  182.951   47.914   78.295   29.372   79.055   29.813   53.211  171.285  185.930   42.072  179.972   86.098 5.957779 95.82710 
1 1 1  -22   18    1 o  158.652   50.705   18.926   66.054   28.383   83.377   2.9881  108.244  157.267   69.410  160.038   73.934 -2.770996 101.4104 
1 1 1  -22   18    2 o  201.085   57.448  111.291   72.568  139.019   87.521   50.295  129.809  219.950   79.477  182.219   82.973 37.73085 114.8964 
1 1 1  -22   18    3 o  197.200   57.279  103.746   70.403  114.222   86.637   83.379  120.805  203.444   77.958  190.957   83.943 12.48672 114.5589 
1 1 1  -22   18    4 o  160.343   51.131   23.100   64.811   14.419   80.250   39.381  109.900  148.907   66.755  171.779   77.468 -22.87187 102.2615 
1 1 1  -22   18    5 o  196.895   58.000  104.689   72.265  114.345   84.493   78.380  139.466  202.684   77.149  191.105   86.625 11.57945 115.9991 
1 1 1  -22   18    6 o  245.449   77.174  173.238   82.412  173.238   82.412   0.0000   0.0000  245.449   77.174  ?   ?       ?      ? 
1 1 1  -22   18    7 o  109.529   53.292 -85.0801   72.730 -85.0801   72.730   0.0000   0.0000  109.529   53.292  ?   ?       ?      ? 
1 1 1  -22   18    8 o  152.054   44.715   40.285   18.785   41.763   18.867 -128.5216  201.667  138.098   34.972  166.011   82.308 -27.91258 89.42929 
1 1 1  -22   18    9 o  187.486   52.064   61.872   21.879   61.018   21.999  139.643  209.926  167.432   34.804  207.540   98.139 -40.10808 104.1277 
1 1 1  -22   18   10 o  214.172  100.137  176.262  207.981   0.0000   0.0000  176.262  207.981  ?   ?   214.172  100.137      ?      ? 
1 1 1  -22   18   11 o  246.027   55.397  139.654   32.150  136.153   32.578  270.301  199.008  254.767   32.768  237.287  105.837 17.48019 110.7931 
1 1 1  -22   18   12 o  111.815   42.904  -5.4300   11.250  -5.2945   11.275 -37.0497  172.194   54.636   24.710  168.994   82.174 -114.3577 85.80854 
1 1 1  -22   18   13 o  140.027   48.963 -100.7747   75.597 -134.0830   86.906   2.8070  153.254  109.758   54.348  170.296   81.461 -60.53832 97.92676 
1 1 1  -22   18   14 o  180.489   85.311   52.115  158.328   0.0000   0.0000   52.115  158.328  ?   ?   180.489   85.311      ?      ? 
1 1 1  -22   18   15 o  144.132   48.676   14.547   16.724   13.211   16.816  135.764  160.156   89.636   34.346  198.628   91.093 -108.9921 97.35277 
1 1 1  -22   19    1 o  183.293   52.932   85.443   60.846  103.488   73.335   45.575  109.004  195.125   72.381  171.462   77.254 23.66287 105.8640 
1 1 1  -22   19    2 o  188.368   55.940   82.004   63.939   58.666   75.794  139.603  119.072  166.691   69.681  210.044   87.530 -43.35294 111.8792 
1 1 1  -22   19    3 o  168.635   52.215   39.635   62.055   5.4103   75.985  108.174  107.529  141.126   63.958  196.145   82.554 -55.01871 104.4308 
1 1 1  -22   19    4 o  151.133   66.829   26.618   77.648   26.618   77.648   0.0000   0.0000  151.133   66.829  ?   ?       ?      ? 
1 1 1  -22   19    5 o  185.184   73.770   89.792   80.087   89.792   80.087   0.0000   0.0000  185.184   73.770  ?   ?       ?      ? 
1 1 1  -22   19    6 o  162.733   50.712   42.544   62.755   61.711   76.609   3.4500  109.411  168.110   70.145  157.355   73.256 10.75540 101.4241 
1 1 1  -22   19    7 o  230.448   79.405  160.346   86.562  160.346   86.562   0.0000   0.0000  230.448   79.405  ?   ?       ?      ? 
1 1 1  -22   19    8 o  199.519   67.888   95.768  153.006  144.137  239.338   62.337  198.976  207.424   99.887  191.614   91.964 15.81029 135.7751 
1 1 1  -22   19    9 o  169.593   52.569   36.599   20.031   35.053   20.145  172.063  188.561  126.294   37.872  212.893   98.079 -86.59907 105.1373 
1 1 1  -22   19   10 o  163.189   53.541   28.030   68.812   32.679   75.551   5.4067  166.671  151.865   66.580  174.513   83.866 -22.64848 107.0810 
1 1 1  -22   19   11 o  180.618   56.304   77.689   72.773   84.075   82.856   56.141  152.211  179.968   73.811  181.268   85.043 -1.300201 112.6071 
1 1 1  -22   19   12 o  197.684   53.307  103.338   75.279  203.200   90.752 -116.9497  134.788  254.844   81.084  140.525   69.225 114.3191 106.6145 
1 1 1  -22   19   13 o  157.526   38.581   63.537   23.889   69.934   24.226 -161.6090  143.722  178.029   36.105  137.023   68.193 41.00505 77.16158 
1 1 1  -22   20    1 o  145.725   65.329   16.367   76.862   16.367   76.862   0.0000   0.0000  145.725   65.329  ?   ?       ?      ? 
1 1 1  -22   20    2 f  140.871   63.922   5.7955   76.189   5.7955   76.189   0.0000   0.0000  140.871   63.922  ?   ?       ?      ? 
1 1 1  -22   20    3 o  211.724   55.766  140.467   67.353  172.200   79.887   62.471  125.246  243.616   75.882  179.832   81.738 63.78368 111.5312 
1 1 1  -22   20    4 o  128.372   42.945 -36.3863   56.533 -14.1628   70.562 -76.2221   94.472  129.049   59.645  127.695   61.802 1.354424 85.88962 
1 1 1  -22   20    5 o  187.540   52.622   95.004   63.761  135.746   76.134  -0.6874  116.679  216.692   74.480  158.388   74.356 58.30397 105.2432 
1 1 1  -22   20    6 o  163.859   55.354  -6.8938   88.903   38.019  168.709 -24.1603  104.606  181.323   86.384  146.394   69.241 34.92931 110.7089 
1 1 1  -22   20    7 o  176.184   85.035   6.6244  175.772   6.6244  175.772   0.0000   0.0000  176.184   85.035  ?   ?       ?      ? 
1 1 1  -22   20    8 o  155.603   51.344  -2.4499   65.510 -32.3338   75.945   84.426  129.488  125.935   59.390  185.270   83.770 -59.33479 102.6873 
1 1 1  -22   20    9 f  251.981   57.108  223.836   70.249  244.724   78.461  139.433  157.719  302.349   68.132  201.613   91.671 100.7352 114.2170 
1 1 1  -22   20   10 o  135.474   46.022 -31.2228   52.329 -44.9256   57.995   28.801  121.380  105.850   50.488  165.098   76.960 -59.24722 92.04328 
1 1 1  -22   20   11 o  182.925   52.933   29.953   19.550   24.949   19.744  281.162  139.892  109.540   37.913  256.309   98.845 -146.7689 105.8666 
1 1 1  -22   21    1 o  157.004   55.393 -157.8768  136.411 -136.8581  203.904 -174.9047  183.528  162.096   80.762  151.912   75.836 10.18387 110.7857 
1 1 1  -22   21    2 o  184.939   59.898   30.025   62.775  -4.5762   66.973  280.409  180.158  129.344   59.167  240.535  104.164 -111.1916 119.7953 
1 1 1  -22   21    3 o  149.857   49.726   7.8670   62.149   19.889   67.760 -55.8396  155.982  140.740   62.321  158.975   77.504 -18.23538 99.45221 
1 1 1  -22   21    4 o  157.230   54.570 -74.9799  112.198 -46.5380  176.040 -94.4365  145.602  165.821   81.161  148.639   72.969 17.18227 109.1402 
1 1 1  -22   21    5 o  161.658   56.071 -81.5824  113.644   82.357  180.231 -189.7816  146.420  188.217   89.562  135.100   67.487 53.11725 112.1425 
1 1 1  -22   21    6 o  157.314   51.839   24.173   63.830   26.870   69.638   9.9933  159.649  144.369   63.590  170.260   81.887 -25.89093 103.6783 
1 1 1  -22   21    7 o  119.816   57.263 -47.1005   75.372 -47.1005   75.372   0.0000   0.0000  119.816   57.263  ?   ?       ?      ? 
1 1 1  -22   21    8 o  253.120   63.993  231.994   75.648  219.744   82.793  293.927  186.156  272.329   75.355  233.911  103.452 38.41779 127.9868 
1 1 1  -21    0    2 o  180.586   20.442   68.624   18.808   68.624   18.808   68.624   18.808  180.586   28.909  180.586   28.909 0.000000 0.000000 
1 1 1  -21    0    3 o  284.639   17.535  162.271   27.065  162.271   27.065  162.271   27.065  284.639   24.799  284.639   24.799 0.000000 0.000000 
1 1 1  -21    0    4 o  573.036   27.376  655.673   85.669  655.673   85.669  655.673   85.669  573.036   38.715  573.036   38.715 0.000000 0.000000 
1 1 1  -21    0    5 o  188.114   19.474   73.660   18.949   73.660   18.949   73.660   18.949  188.114   27.540  188.114   27.540 -0.000000 0.000000 
1 1 1  -21    0    6 o  228.647   18.637  106.468   22.706  106.468   22.706  106.468   22.706  228.647   26.357  228.647   26.357 0.000000 0.000000 
1 1 1  -21    0    7 o  822.474   22.758  1335.62  102.941  1335.62  102.941  1335.62  102.941  822.474   32.184  822.474   32.184 -0.000000 0.000000 
1 1 1  -21    0    8 o  190.183   19.491   75.236   19.207   75.236   19.207   75.236   19.207  190.183   27.565  190.183   27.565 -0.000000 0.000000 
1 1 1  -21    0    9 o  121.155   27.295   36.421   16.074   36.421   16.074   36.421   16.074  121.155   38.601  121.155   38.601 -0.000000 0.000000 
1 1 1  -21    0   10 o  109.175   27.543   30.939   15.142   30.939   15.142   30.939   15.142  109.175   38.952  109.175   38.952 -0.000000 0.000000 
1 1 1  -21    0   11 o  598.032   28.954  717.997   94.532  717.997   94.532  717.997   94.532  598.032   40.947  598.032   40.947 0.000000 0.000000 
1 1 1  -21    0   12 o  125.856   28.139   39.291   17.186   39.291   17.186   39.291   17.186  125.856   39.794  125.856   39.794 0.000000 0.000000 
1 1 1  -21    0   13 o   67.724   26.425   12.591   14.375   12.591   14.375   12.591   14.375   67.724   37.370   67.724   37.370 0.000000 0.000000 
1 1 1  -21    0   14 o   59.597   24.993   7.8387   14.271   7.8387   14.271   7.8387   14.271   59.597   35.346   59.597   35.346 -0.000000 0.000000 
1 1 1  -21    0   15 o  257.641   19.630  135.264   27.091  135.264   27.091  135.264   27.091  257.641   27.761  257.641   27.761 0.000000 0.000000 
1 1 1  -21    0   16 o   38.809   18.907  -9.8409   13.422  -9.8409   13.422  -9.8409   13.422   38.809   26.738   38.809   26.738 0.000000 0.000000 
1 1 1  -21    0   17 o   96.069   31.954   27.161   19.061   27.161   19.061   27.161   19.061   96.069   45.190   96.069   45.190 -0.000000 0.000000 
1 1 1  -21    0   18 o   94.907   32.609   26.802   20.025   26.802   20.025   26.802   20.025   94.907   46.116   94.907   46.116 0.000000 0.000000 
1 1 1  -21    0   19 o  676.473   21.561  914.693   80.123  914.693   80.123  914.693   80.123  676.473   30.492  676.473   30.492 0.000000 0.000000 
1 1 1  -21    0   20 o  215.173   24.968   99.299   27.250   99.299   27.250   99.299   27.250  215.173   35.310  215.173   35.310 -0.000000 0.000000 
1 1 1  -21    0   21 o  329.048   20.803  220.156   37.083  220.156   37.083  220.156   37.083  329.048   29.420  329.048   29.420 0.000000 0.000000 
1 1 1  -21    0   22 o  177.039   52.141   94.048   50.871   94.048   50.871   94.048   50.871  177.039   73.738  177.039   73.738 -0.000000 0.000000 
1 1 1  -21    0   23 o   91.551   33.713   25.475   22.199   25.475   22.199   25.475   22.199   91.551   47.677   91.551   47.677 0.000000 0.000000 
1 1 1  -21    0   24 o  254.403   24.427  137.272   32.511  137.272   32.511  137.272   32.511  254.403   34.546  254.403   34.546 -0.000000 0.000000 
1 1 1  -21    0   25 o   79.705   32.650   17.417   23.410   17.417   23.410   17.417   23.410   79.705   46.174   79.705   46.174 -0.000000 0.000000 
1 1 1  -21    0   26 f  381.726   21.844  299.009   45.325  299.009   45.325  299.009   45.325  381.726   30.892  381.726   30.892 0.000000 0.000000 
1 1 1  -21    0   27 o   92.123   35.784   26.062   26.226   26.062   26.226   26.062   26.226   92.123   50.606   92.123   50.606 -0.000000 0.000000 
1 1 1  -21    0   28 o   58.334   26.983  -0.8381   21.477  -0.8381   21.477  -0.8381   21.477   58.334   38.160   58.334   38.160 0.000000 0.000000 
1 1 1  -21    1    1 o  342.361   16.666  230.423   22.257  236.817   31.404  223.969   31.551  347.175   23.179  337.547   23.952 9.627441 33.33125 
1 1 1  -21    1    2 o  346.433   17.123  235.680   23.126  221.641   32.152  250.729   33.288  335.721   24.541  357.145   23.884 -21.42413 34.24541 
1 1 1  -21    1    3 o  391.646   17.458  301.381   26.667  288.684   37.093  314.964   38.365  383.101   24.811  400.190   24.566 -17.08954 34.91560 
1 1 1  -21    1    4 o  423.784   24.642  355.494   40.716  375.418   58.882  337.238   56.363  435.178   34.673  412.390   35.023 22.78802 49.28300 
1 1 1  -21    1    5 o  608.550   19.665  729.828   46.690  716.212   65.142  744.212   66.955  602.742   27.695  614.358   27.927 -11.61609 39.33092 
1 1 1  -21    1    6 o  287.334   17.136  162.172   19.190  151.013   26.643  174.201   27.663  277.038   24.644  297.630   23.817 -20.59250 34.27227 
1 1 1  -21    1    7 o  406.027   24.933  324.524   39.505  324.524   39.505   0.0000   0.0000  406.027   24.933  ?   ?       ?      ? 
1 1 1  -21    1    8 o  427.036   22.706  359.453   35.023  356.470   42.134  366.122   62.996  425.393   25.381  428.678   37.657 -3.284790 45.41230 
1 1 1  -21    1    9 o  149.733   20.970   45.265   11.998   54.760   17.260   36.385   16.691  166.606   26.547  132.861   32.468 33.74579 41.93932 
1 1 1  -21    1   10 o  174.668   21.433   61.960   13.979   44.431   19.352   81.088   20.216  146.587   34.418  202.749   25.550 -56.16132 42.86519 
1 1 1  -21    1   11 o  317.489   27.537  200.084   33.827  167.010   45.611  240.515   50.430  288.263   40.546  346.715   37.272 -58.45175 55.07412 
1 1 1  -21    1   12 o  263.884   22.020  144.920   21.474  165.698   27.694  113.596   34.004  289.669   24.499  238.100   36.597 51.56909 44.04016 
1 1 1  -21    1   13 o  371.841   18.319  273.718   26.578  267.896   37.212  279.780   37.972  367.802   25.926  375.880   25.887 -8.078125 36.63746 
1 1 1  -21    1   14 o  272.781   18.637  147.723   19.828  153.438   28.060  142.023   28.022  278.139   25.852  267.422   26.851 10.71667 37.27331 
1 1 1  -21    1   15 o  163.847   22.706   55.185   14.173   68.075   20.254   42.817   19.840  184.783   28.088  142.911   35.683 41.87155 45.41163 
1 1 1  -21    1   16 o  468.500   26.274  446.015   48.006  463.549   69.384  429.913   66.491  477.272   37.253  459.727   37.062 17.54501 52.54895 
1 1 1  -21    1   17 o  372.345   19.058  277.202   27.675  290.932   39.480  263.937   38.805  381.555   26.515  363.136   27.383 18.41824 38.11681 
1 1 1  -21    1   18 o  328.322   19.295  215.875   24.645  240.053   35.569  193.550   34.179  346.289   26.321  310.356   28.220 35.93234 38.58992 
1 1 1  -21    1   19 o  295.027   19.923  175.319   22.921  179.962   32.138  170.512   32.701  299.211   27.524  290.842   28.812 8.369293 39.84557 
1 1 1  -21    1   20 o  188.831   24.910   75.181   17.678   73.237   25.068   77.104   24.934  186.129   35.813  191.532   34.634 -5.403152 49.82000 
1 1 1  -21    1   21 o   76.760   23.108   1.4248   12.064   0.4310   18.349   2.1815   16.011   78.178   33.544   75.343   31.791 2.835197 46.21518 
1 1 1  -21    1   22 o  179.494   41.445   73.754   33.304   69.200   45.257   79.134   49.186  174.425   57.404  184.563   59.796 -10.13792 82.89024 
1 1 1  -21    1   23 o  376.047   20.644  288.336   30.225  316.096   43.597  262.647   41.939  393.919   28.361  358.175   30.005 35.74493 41.28730 
1 1 1  -21    1   24 o  239.701   23.936  120.359   22.256  105.788   31.381  135.105   31.569  224.080   35.886  255.321   31.684 -31.24104 47.87177 
1 1 1  -21    1   25 o  417.883   21.380  361.539   34.859  352.737   48.879  370.651   49.730  412.612   30.356  423.155   30.115 -10.54221 42.75996 
1 1 1  -21    1   26 o  109.278   27.772   20.733   16.418   2.5595   23.748   37.374   22.724   88.421   38.055  130.136   40.460 -41.71506 55.54441 
1 1 1  -21    1   27 o  322.742   27.366  224.781   34.448  231.431   49.713  218.639   47.779  327.135   38.941  318.349   38.459 8.786407 54.73159 
1 1 1  -21    1   28 o  432.047   22.417  391.814   37.777  408.050   53.893  376.130   52.969  441.229   31.300  422.865   32.099 18.36331 44.83310 
1 1 1  -21    2    1 o  599.212   19.476  707.503   45.541  704.995   64.036  710.069   64.779  598.161   27.433  600.263   27.654 -2.101624 38.95296 
1 1 1  -21    2    2 o  447.316   17.780  391.882   30.967  363.998   42.182  424.480   45.607  430.137   25.130  464.495   25.161 -34.35852 35.56056 
1 1 1  -21    2    3 o  294.808   33.902  172.161   39.003  172.161   39.003   0.0000   0.0000  294.808   33.902  ?   ?       ?      ? 
1 1 1  -21    2    4 o  401.737   24.365  318.367   38.101  349.686   56.054  291.470   51.946  420.060   34.195  383.413   34.718 36.64792 48.73025 
1 1 1  -21    2    5 o  300.128   17.118  177.104   20.045  174.081   28.018  180.274   28.691  297.513   24.132  302.743   24.285 -5.230286 34.23624 
1 1 1  -21    2    6 o  502.601   18.549  497.649   36.376  508.735   51.552  486.656   51.334  508.220   25.994  496.983   26.469 11.23657 37.09799 
1 1 1  -21    2    7 o  1135.66   28.070  2573.77  124.399  2587.33  176.576  2560.40  175.284  1138.61   39.740  1132.72   39.654 5.888062 56.14008 
1 1 1  -21    2    8 f  297.952   22.219  162.134   23.395  145.743   27.192  208.831   45.898  271.959   25.622  323.945   36.307 -51.98618 44.43731 
1 1 1  -21    2    9 o  495.071   22.755  471.858   41.006  525.893   74.221  448.118   49.196  513.565   37.034  476.577   26.452 36.98746 45.51097 
1 1 1  -21    2   10 o  187.510   19.782   69.463   14.469   66.979   20.134   72.116   20.806  184.041   28.034  190.979   27.917 -6.937943 39.56355 
1 1 1  -21    2   11 o  279.109   42.113  157.031   45.869   0.0000   0.0000  157.031   45.869  ?   ?   279.109   42.113      ?      ? 
1 1 1  -21    2   12 o  197.423   22.125   76.302   16.726   71.361   21.393   84.072   26.829  189.621   28.910  205.226   33.500 -15.60492 44.24973 
1 1 1  -21    2   13 o  256.024   18.776  130.129   18.705  141.926   26.528  118.466   26.377  267.753   25.389  244.295   27.669 23.45755 37.55174 
1 1 1  -21    2   14 o  384.884   18.460  293.838   27.715  288.552   38.535  299.504   39.892  381.353   25.894  388.416   26.318 -7.062897 36.92043 
1 1 1  -21    2   15 o  475.618   18.972  450.193   35.207  443.202   49.232  457.510   50.369  471.874   26.736  479.363   26.926 -7.489197 37.94448 
1 1 1  -21    2   16 o  438.202   36.227  390.145   61.950   0.0000   0.0000  390.145   61.950  ?   ?   438.202   36.227      ?      ? 
1 1 1  -21    2   17 o  340.892   19.483  232.804   25.869  251.202   36.865  214.955   36.311  354.447   26.652  327.336   28.425 27.11115 38.96602 
1 1 1  -21    2   18 o  287.828   20.491  167.412   22.817  193.507   32.462  141.930   32.079  310.734   26.770  264.921   31.029 45.81284 40.98132 
1 1 1  -21    2   19 o  197.871   23.126   80.931   17.170  100.254   24.855   63.294   23.746  223.056   28.554  172.685   36.385 50.37035 46.25164 
1 1 1  -21    2   20 o  453.881   19.883  415.395   35.189  434.364   49.804  396.486   49.726  464.562   27.472  443.200   28.751 21.36176 39.76580 
1 1 1  -21    2   21 o   54.966   18.298 -25.4805   8.7183   2.6378   16.990 -35.5304   10.158   77.859   32.795   32.073   16.242 45.78609 36.59642 
1 1 1  -21    2   22 o  394.514   32.244  333.308   49.307  324.128   65.728  345.125   74.567  390.215   43.163  398.815   47.912 -8.599976 64.48740 
1 1 1  -21    2   23 o  194.030   26.606   81.992   19.532   58.560   27.752  104.991   27.495  162.115   43.118  225.946   31.183 -63.83076 53.21210 
1 1 1  -21    2   24 o  180.556   28.206   72.128   19.325   71.910   28.060   72.324   26.653  179.781   40.916  181.331   38.835 -1.550079 56.41173 
1 1 1  -21    2   25 o  519.487   21.555  559.606   43.686  575.566   61.934  543.802   61.630  527.242   30.101  511.733   30.862 15.50885 43.11059 
1 1 1  -21    2   26 o  129.752   29.436   34.472   17.375   52.890   26.589   20.747   22.954  152.505   42.884  106.999   40.335 45.50573 58.87225 
1 1 1  -21    2   27 o  267.016   28.539  155.501   29.559  153.730   43.988  156.960   39.915  263.959   42.704  270.073   37.872 -6.113708 57.07832 
1 1 1  -21    2   28 o  205.833   28.117   92.777   21.997  120.560   32.815   70.107   29.642  237.483   35.409  174.184   43.686 63.29906 56.23338 
1 1 1  -21    3    1 o  316.142   17.141  195.880   21.109  181.744   28.964  211.896   30.830  303.999   24.415  328.286   24.065 -24.28699 34.28130 
1 1 1  -21    3    2 o  728.789   21.389  1048.39   60.813  1082.57   87.112  1015.90   84.934  740.398   30.149  717.181   30.347 23.21637 42.77784 
1 1 1  -21    3    3 o  536.128   23.122  570.111   45.799  565.011   78.362  572.756   56.442  533.062   37.670  539.195   26.824 -6.132935 46.24459 
1 1 1  -21    3    4 o  551.724   23.026  602.765   46.914  603.300   57.734  601.724   80.490  553.365   26.736  550.083   37.496 3.281860 46.05131 
1 1 1  -21    3    5 o  509.544   18.573  510.715   36.903  492.468   50.979  530.805   53.491  500.021   26.126  519.066   26.407 -19.04495 37.14700 
1 1 1  -21    3    6 o  243.816   17.989  117.105   17.096  117.982   23.660  116.146   24.729  244.830   24.764  242.802   26.099 2.028137 35.97789 
1 1 1  -21    3    7 o  402.559   25.013  319.123   39.294  319.123   39.294   0.0000   0.0000  402.559   25.013  ?   ?       ?      ? 
1 1 1  -21    3    8 o  183.345   26.758   49.425   15.493   35.847   17.054  113.577   37.071  131.888   33.168  234.802   41.999 -102.9144 53.51673 
1 1 1  -21    3    9 o  166.656   25.689   61.814   16.031   38.121   26.907   74.851   19.960  138.552   44.158  194.761   26.262 -56.20885 51.37714 
1 1 1  -21    3   10 o  133.809   30.352   26.158   14.029   20.935   15.246   55.013   35.834  103.695   33.259  163.923   50.783 -60.22797 60.70474 
1 1 1  -21    3   11 o  110.721   46.707   4.5923   34.546   0.0000   0.0000   4.5923   34.546  ?   ?   110.721   46.707      ?      ? 
1 1 1  -21    3   12 o  518.896   22.930  531.069   43.933  518.825   53.764  555.674   76.214  511.749   26.922  526.044   37.126 -14.29410 45.86029 
1 1 1  -21    3   13 o  166.316   22.511   56.993   14.171   41.768   19.952   72.493   20.131  141.502   36.035  191.130   26.990 -49.62787 45.02243 
1 1 1  -21    3   14 o  411.859   18.590  337.085   29.860  349.161   42.118  324.882   42.340  419.432   25.732  404.287   26.837 15.14490 37.18005 
1 1 1  -21    3   15 o  304.981   22.614  187.151   25.674  185.847   43.193  187.863   31.927  302.813   36.551  307.148   26.637 -4.335663 45.22736 
1 1 1  -21    3   16 o  205.598   23.878   87.173   18.513   90.869   24.840   82.554   27.767  212.749   29.919  198.447   37.222 14.30157 47.75616 
1 1 1  -21    3   17 o  181.174   23.634   67.752   16.336   63.421   23.304   71.936   22.906  173.558   35.602  188.789   31.092 -15.23074 47.26724 
1 1 1  -21    3   18 o  309.373   20.054  192.270   24.182  187.652   33.243  197.459   35.240  305.589   27.876  313.156   28.836 -7.566254 40.10770 
1 1 1  -21    3   19 o  225.158   21.654  102.614   19.017   98.297   26.591  107.135   27.209  220.227   30.941  230.089   30.303 -9.861786 43.30806 
1 1 1  -21    3   20 o  181.326   25.031   69.448   17.257   54.765   24.534   83.825   24.277  159.357   39.620  203.296   30.601 -43.93864 50.06200 
1 1 1  -21    3   21 o  319.854   20.502  205.792   25.377  171.809   34.523  245.735   37.428  290.725   30.430  348.983   27.483 -58.25748 41.00357 
1 1 1  -21    3   22 o  202.313   41.034   99.349   34.568  113.081   43.685   76.350   56.534  222.941   51.281  181.684   64.072 41.25737 82.06700 
1 1 1  -21    3   23 o  627.935   21.717  810.671   53.211  825.812   75.383  795.635   75.121  634.034   30.467  621.837   30.957 12.19757 43.43458 
1 1 1  -21    3   24 o  267.870   23.186  149.433   24.094  170.966   34.738  129.469   33.447  287.376   30.975  248.364   34.510 39.01189 46.37234 
1 1 1  -21    3   25 o  150.217   30.340   48.739   18.946   69.293   29.330   34.021   24.819  174.528   43.277  125.905   42.535 48.62278 60.68050 
1 1 1  -21    3   26 o  141.461   29.385   45.855   18.810   21.325   28.864   63.962   24.798  113.182   44.539  169.740   38.343 -56.55729 58.76992 
1 1 1  -21    3   27 o  150.873   32.901   47.435   20.578   73.155   35.841   34.788   25.133  175.149   49.979  126.597   42.802 48.55154 65.80208 
1 1 1  -21    3   28 o  336.173   23.622  239.264   30.896  263.765   44.374  216.209   43.044  353.862   32.134  318.485   34.633 35.37619 47.24439 
1 1 1  -21    4    1 o  686.627   20.767  930.690   55.640  936.255   78.396  925.041   78.982  688.749   29.168  684.504   29.568 4.244507 41.53322 
1 1 1  -21    4    2 o  272.483   21.914  152.882   21.866  126.969   36.117  167.875   27.472  252.797   36.611  292.168   24.095 -39.37140 43.82821 
1 1 1  -21    4    3 o  319.712   22.000  205.602   26.109  190.120   43.398  214.384   32.686  309.412   35.942  330.012   25.380 -20.59982 43.99981 
1 1 1  -21    4    4 o  196.673   20.363   75.282   15.285   71.515   19.460   81.349   24.694  190.536   26.172  202.810   31.202 -12.27377 40.72517 
1 1 1  -21    4    5 o  282.041   16.467  157.101   18.040  170.971   25.189  142.493   25.848  295.006   21.880  269.076   24.617 25.93033 32.93472 
1 1 1  -21    4    6 o  239.225   18.219  112.921   16.972  115.753   23.430  109.794   24.617  242.474   24.761  235.975   26.732 6.498947 36.43788 
1 1 1  -21    4    7 o  758.658   21.925  1138.71   64.875  1115.10   89.965  1164.29   93.638  750.573   30.715  766.743   31.295 -16.16980 43.84936 
1 1 1  -21    4    8 o  138.757   31.046   28.080   14.288   23.066   15.405   58.935   38.214  107.809   33.280  169.705   52.421 -61.89645 62.09233 
1 1 1  -21    4    9 o  470.984   23.002  455.207   40.464  381.037   64.141  504.240   52.151  436.634   37.643  505.333   26.445 -68.69943 46.00382 
1 1 1  -21    4   10 o  408.301   23.667  309.666   33.218  287.069   38.141  380.650   67.600  381.254   25.636  435.347   39.790 -54.09299 47.33345 
1 1 1  -21    4   11 o  259.659   27.128  133.513   27.489   0.0000   0.0000  133.513   27.489  ?   ?   259.659   27.128      ?      ? 
1 1 1  -21    4   12 o  437.092   18.744  377.424   31.911  360.663   43.516  396.922   46.936  426.720   26.132  447.463   26.879 -20.74298 37.48817 
1 1 1  -21    4   13 o  645.188   20.728  828.324   52.144  807.521   71.977  851.302   75.645  636.830   28.963  653.546   29.660 -16.71600 41.45544 
1 1 1  -21    4   14 o   95.113   23.677   15.796   10.847   19.440   16.615   13.089   14.320  101.841   34.799   88.385   32.116 13.45561 47.35412 
1 1 1  -21    4   15 o  184.422   29.647   73.350   20.388   67.227   33.307   77.020   25.783  176.594   47.357  192.250   35.681 -15.65581 59.29438 
1 1 1  -21    4   16 o  226.341   21.864  103.370   19.212  116.079   27.333   90.960   27.009  240.518   29.121  212.165   32.622 28.35269 43.72849 
1 1 1  -21    4   17 o  158.719   24.899   51.796   15.085   70.523   23.008   37.678   19.977  183.907   33.284  133.531   37.039 50.37602 49.79708 
1 1 1  -21    4   18 o  137.484   25.765   38.461   14.349   55.427   21.910   25.720   18.987  161.679   35.682  113.289   37.176 48.38998 51.52950 
1 1 1  -21    4   19 o  499.438   20.031  500.828   38.956  475.337   53.000  530.785   57.455  485.874   27.952  513.002   28.700 -27.12738 40.06241 
1 1 1  -21    4   20 o  332.235   20.366  222.135   26.348  204.348   36.058  242.513   38.594  317.917   29.064  346.552   28.538 -28.63501 40.73196 
1 1 1  -21    4   21 o  262.699   21.227  140.267   21.757  137.129   30.731  143.420   30.808  259.645   30.330  265.754   29.707 -6.109039 42.45467 
1 1 1  -21    4   22 o  135.530   38.998   3.1882   27.535 -15.0471   30.708   77.999   62.197   87.823   40.132  183.237   66.878 -95.41360 77.99525 
1 1 1  -21    4   23 o   64.574   21.086  -8.6671   10.925 -13.7761   21.706  -6.9335   12.644   72.190   33.265   56.958   25.920 15.23149 42.17118 
1 1 1  -21    4   24 o  286.911   23.188  171.404   25.915  157.835   35.792  186.355   37.571  274.659   33.393  299.163   32.182 -24.50375 46.37649 
1 1 1  -21    4   25 f  387.680   22.130  313.246   33.432  319.944   46.432  306.035   48.176  392.757   30.294  382.604   32.266 10.15268 44.25903 
1 1 1  -21    4   26 o  303.038   27.861  193.079   32.376  230.474   52.036  169.461   41.355  325.047   41.023  281.029   37.709 44.01749 55.72129 
1 1 1  -21    4   27 o   97.624   28.059   12.577   15.733   10.635   28.985   13.388   18.733  102.636   43.012   92.612   36.044 10.02454 56.11735 
1 1 1  -21    4   28 o   83.109   25.785   0.6627   14.649  -2.0611   27.982   1.6910   17.193   90.432   40.046   75.787   32.493 14.64410 51.57019 
1 1 1  -21    5    1 o  754.666   26.718  929.050   64.752  798.896   71.425  1529.65  153.431  636.205   28.769  873.126   45.030 -236.9209 53.43550 
1 1 1  -21    5    2 o  293.165   35.556  170.681   40.677  170.681   40.677   0.0000   0.0000  293.165   35.556  ?   ?       ?      ? 
1 1 1  -21    5    3 o  261.547   19.798  129.744   19.559  115.712   24.271  155.737   33.034  242.388   25.660  280.706   30.156 -38.31776 39.59545 
1 1 1  -21    5    4 o  407.937   17.712  325.719   28.107  303.041   37.960  353.241   41.818  392.350   24.792  423.525   25.302 -31.17502 35.42367 
1 1 1  -21    5    5 o  408.187   18.026  328.510   28.690  338.349   40.190  318.285   40.969  414.523   24.845  401.852   26.125 12.67111 36.05221 
1 1 1  -21    5    6 o  187.273   18.607   70.664   12.997   87.574   18.575   54.443   18.192  211.030   22.555  163.515   29.599 47.51485 37.21346 
1 1 1  -21    5    7 o  228.150   18.355  102.170   16.291   91.732   22.260  114.206   23.904  215.617   26.455  240.684   25.451 -25.06665 36.70999 
1 1 1  -21    5    8 o  109.568   21.969   24.059   9.7943   28.033   14.809   20.969   13.058  116.931   31.671  102.204   30.456 14.72644 43.93825 
1 1 1  -21    5    9 o  648.905   26.158  827.122   60.401  806.133   71.585  878.994  112.537  637.988   28.753  659.823   43.706 -21.83551 52.31533 
1 1 1  -21    5   10 o  326.458   28.487  213.410   35.235  209.720   44.630  219.514   57.411  323.903   35.308  329.014   44.715 -5.111115 56.97431 
1 1 1  -21    5   11 o  194.645   21.304   75.363   16.180   75.831   22.742   74.884   23.024  195.291   29.841  193.998   30.413 1.293335 42.60810 
1 1 1  -21    5   12 o  158.658   22.760   52.042   13.609   49.348   19.242   54.739   19.250  154.288   32.959  163.027   31.398 -8.738785 45.52016 
1 1 1  -21    5   13 o  283.238   18.470  159.292   20.397  159.302   28.264  159.282   29.466  283.351   25.561  283.125   26.669 0.2257385 36.94080 
1 1 1  -21    5   14 f  171.490   22.981   60.945   14.812   58.828   21.083   63.008   20.814  168.266   33.287  174.715   31.695 -6.449020 45.96268 
1 1 1  -21    5   15 o  272.704   26.780  153.167   27.905  143.454   43.235  160.102   36.533  263.860   41.989  281.548   33.251 -17.68799 53.55996 
1 1 1  -21    5   16 o  328.668   20.117  215.295   25.716  196.284   34.793  238.186   38.178  312.764   28.506  344.573   28.392 -31.80820 40.23358 
1 1 1  -21    5   17 o  497.187   20.242  497.196   39.203  496.512   53.852  497.968   57.182  497.272   27.751  497.101   29.477 0.1713867 40.48446 
1 1 1  -21    5   18 o  348.779   19.841  241.930   26.841  212.113   35.873  279.852   40.456  324.552   28.323  373.006   27.793 -48.45313 39.68213 
1 1 1  -21    5   19 o  300.389   20.298  181.198   23.720  162.885   32.411  202.317   34.805  283.934   29.251  316.843   28.150 -32.90894 40.59608 
1 1 1  -21    5   20 o  397.484   20.343  315.435   31.353  277.263   41.780  364.648   47.438  370.230   28.917  424.738   28.620 -54.50729 40.68580 
1 1 1  -21    5   21 o  292.498   34.661  144.743   29.164  124.668   31.460  267.387   77.759  246.558   32.697  338.438   61.126 -91.87926 69.32127 
1 1 1  -21    5   22 o  165.252   41.559   63.021   33.493   74.641   37.989   22.466   70.972  180.085   51.478  150.419   65.259 29.66612 83.11857 
1 1 1  -21    5   23 o  695.777   23.131  1004.71   62.694  985.191   85.818  1027.05   91.810  689.595   31.890  701.959   33.515 -12.36395 46.26269 
1 1 1  -21    5   24 o  121.840   28.895   31.936   16.873   16.549   27.764   40.946   21.246  107.538   43.230  136.142   38.352 -28.60409 57.78981 
1 1 1  -21    5   25 o  150.188   29.905   52.869   19.322   30.790   30.089   68.363   25.205  124.439   46.323  175.937   37.836 -51.49848 59.81079 
1 1 1  -21    5   26 o  128.708   32.602   34.459   19.233   31.455   38.634   35.449   22.177  130.374   51.457  127.043   40.046 3.331757 65.20389 
1 1 1  -21    5   27 o  159.231   30.383   52.651   18.828   81.550   32.563   38.138   23.076  187.634   45.042  130.829   40.789 56.80452 60.76595 
1 1 1  -21    5   28 o  260.635   26.211  147.549   26.487  142.157   39.171  152.092   35.953  254.531   39.436  266.739   34.539 -12.20807 52.42299 
1 1 1  -21    6    1 o  529.623   40.417  560.389   83.534   0.0000   0.0000  560.389   83.534  ?   ?   529.623   40.417      ?      ? 
1 1 1  -21    6    2 o  848.219   27.865  1429.08   87.586  1414.02  107.925  1458.15  149.901  844.640   32.743  851.797   45.096 -7.157043 55.72902 
1 1 1  -21    6    3 o  202.071   42.504   35.283   15.105   31.280   15.322  173.458   90.019  123.373   31.665  280.769   78.891 -157.3962 85.00810 
1 1 1  -21    6    4 o  667.179   26.431  895.323   63.716  909.807   77.193  864.359  112.867  678.456   29.156  655.901   44.096 22.55420 52.86289 
1 1 1  -21    6    5 o  348.838   18.088  235.978   24.412  201.383   32.350  281.736   37.205  319.575   25.940  378.101   25.215 -58.52628 36.17577 
1 1 1  -21    6    6 o  429.601   18.315  363.961   30.667  362.121   42.284  366.002   44.545  428.566   25.283  430.636   26.507 -2.069763 36.63085 
1 1 1  -21    6    7 o  300.558   18.391  177.161   21.498  164.118   28.991  193.094   32.042  288.381   25.761  312.736   26.255 -24.35483 36.78274 
1 1 1  -21    6    8 o   97.018   20.654   16.671   8.5999   28.146   13.966   9.6632   10.914  116.963   30.340   77.072   28.033 39.89055 41.30853 
1 1 1  -21    6    9 o  459.184   44.119  427.066   79.058   0.0000   0.0000  427.066   79.058  ?   ?   459.184   44.119      ?      ? 
1 1 1  -21    6   10 o  509.831   23.485  516.026   44.838  529.554   75.125  508.540   55.882  513.399   37.497  506.263   28.286 7.136292 46.96908 
1 1 1  -21    6   11 o  222.904   19.600   99.117   16.958  108.932   23.729   88.869   24.244  234.478   25.932  211.329   29.398 23.14838 39.20095 
1 1 1  -21    6   12 o  443.597   19.044  388.413   32.840  362.912   44.134  420.047   49.156  427.530   26.453  459.664   27.403 -32.13437 38.08820 
1 1 1  -21    6   13 o  454.500   22.275  411.649   37.751  405.761   46.817  422.592   63.831  451.636   26.563  457.364   35.763 -5.728760 44.54903 
1 1 1  -21    6   14 o  540.248   29.264  584.398   61.696   0.0000   0.0000  584.398   61.696  ?   ?   540.248   29.264      ?      ? 
1 1 1  -21    6   15 o  275.579   21.907  155.134   23.108  167.503   30.700  138.967   35.099  289.426   27.181  261.733   34.364 27.69333 43.81424 
1 1 1  -21    6   16 o  243.300   21.962  119.515   20.835  118.336   28.822  120.805   30.152  242.193   30.495  244.407   31.613 -2.214142 43.92441 
1 1 1  -21    6   17 o  209.268   22.414   88.803   18.296   85.500   25.794   92.147   25.957  205.225   32.207  213.312   31.182 -8.087540 44.82879 
1 1 1  -21    6   18 o  103.861   24.516   18.695   11.498   30.900   19.289   11.967   14.321  121.774   37.180   85.947   31.965 35.82644 49.03204 
1 1 1  -21    6   19 o  252.972   20.883  129.596   20.550  142.395   29.269  117.151   28.860  265.692   28.229  240.252   30.783 25.44054 41.76654 
1 1 1  -21    6   20 o  198.270   25.589   82.560   19.341   89.301   27.304   75.771   27.402  208.682   33.528  187.859   38.667 20.82297 51.17838 
1 1 1  -21    6   21 o  240.156   42.896  144.509   37.912  154.565   43.300  111.475   78.480  270.318   41.047  209.994   75.336 60.32448 85.79299 
1 1 1  -21    6   22 o  109.121   25.517   23.439   14.412  -1.5273   23.797   37.900   18.111   85.731   37.481  132.511   34.636 -46.78023 51.03435 
1 1 1  -21    6   23 f  197.544   27.066   84.736   20.247   81.455   30.619   87.286   26.991  190.843   42.231  204.245   33.864 -13.40195 54.13153 
1 1 1  -21    6   24 o  257.453   23.094  138.222   23.117  143.705   34.433  133.723   31.192  261.504   33.741  253.402   31.542 8.101379 46.18866 
1 1 1  -21    6   25 o  439.462   22.261  403.642   38.040  438.696   53.659  368.225   53.936  460.085   29.887  418.839   32.999 41.24652 44.52103 
1 1 1  -21    6   26 o  226.864   34.440  123.613   28.475  105.617   49.494  132.517   34.814  204.294   58.866  249.434   35.766 -45.13989 68.87954 
1 1 1  -21    6   27 o   95.982   26.810   12.587   16.053 -27.2570   33.125   24.816   18.351   83.128   39.209  108.836   36.576 -25.70834 53.62021 
1 1 1  -21    7    1 o  488.357   22.696  365.182   35.492  298.556   38.980  688.309   85.843  389.171   25.667  587.544   37.440 -198.3731 45.39288 
1 1 1  -21    7    2 o  153.839   36.601   44.963   15.731   47.033   16.078  -1.4793   76.148  151.969   28.147  155.709   67.575 -3.739136 73.20293 
1 1 1  -21    7    3 o  537.994   26.906  571.299   56.488  571.299   56.488   0.0000   0.0000  537.994   26.906  ?   ?       ?      ? 
1 1 1  -21    7    4 o  599.646   25.342  693.536   53.518  664.790   62.742  770.316  102.539  580.055   27.718  619.237   42.433 -39.18231 50.68332 
1 1 1  -21    7    5 o  256.942   26.043   93.853   19.072   79.774   20.325  197.563   55.164  201.058   25.905  312.826   45.188 -111.7686 52.08652 
1 1 1  -21    7    6 f  417.546   25.974  348.782   36.750  349.296   42.572  347.277   72.803  420.599   25.937  414.492   45.009 6.107178 51.94785 
1 1 1  -21    7    7 o  351.520   29.454  250.933   31.867  252.311   35.584  245.352   71.613  357.430   25.511  345.611   53.097 11.81894 58.90797 
1 1 1  -21    7    8 o  379.438   30.488  325.357   36.509  358.592   42.365  229.450   71.968  425.956   25.487  332.920   55.395 93.03552 60.97684 
1 1 1  -21    7    9 o  624.552   25.058  778.363   58.427  791.918   98.324  770.964   72.644  626.398   40.223  622.705   29.894 3.693726 50.11559 
1 1 1  -21    7   10 o  431.968   27.665  370.481   46.635   0.0000   0.0000  370.481   46.635  ?   ?   431.968   27.665      ?      ? 
1 1 1  -21    7   11 o  352.935   19.155  247.228   26.270  244.690   35.474  250.308   39.090  351.208   25.883  354.662   28.244 -3.454132 38.30969 
1 1 1  -21    7   12 o  398.297   19.296  314.447   29.860  302.015   40.080  329.955   44.765  389.756   26.351  406.838   28.196 -17.08258 38.59292 
1 1 1  -21    7   13 o  465.174   26.761  439.715   48.372  446.607   71.999  434.046   65.305  467.664   39.451  462.684   36.168 4.979736 53.52171 
1 1 1  -21    7   14 o  445.584   27.196  408.560   46.970  369.635   67.958  444.161   64.992  423.679   41.103  467.490   35.625 -43.81161 54.39293 
1 1 1  -21    7   15 o  452.092   20.717  410.197   36.314  404.070   48.534  417.990   54.736  448.976   27.701  455.209   30.813 -6.233582 41.43360 
1 1 1  -21    7   16 o  229.583   22.017  106.592   19.719  104.613   27.451  108.703   28.344  227.437   30.929  231.730   31.344 -4.292770 44.03424 
1 1 1  -21    7   17 o  245.366   21.608  120.816   20.488   99.389   27.738  146.541   30.392  221.158   32.140  269.574   28.890 -48.41588 43.21566 
1 1 1  -21    7   18 o  243.756   21.875  121.102   20.699  130.706   28.735  110.743   29.843  254.431   28.940  233.081   32.810 21.34973 43.74939 
1 1 1  -21    7   19 o  181.887   25.245   69.669   17.525   62.308   25.245   76.516   24.346  170.102   38.880  193.672   32.213 -23.57039 50.49075 
1 1 1  -21    7   20 o  298.017   20.931  179.954   24.303  167.366   33.401  194.114   35.426  286.881   29.835  309.152   29.365 -22.27063 41.86164 
1 1 1  -21    7   21 o  129.002   39.311   18.754   25.699   21.328   27.174  -3.0387   79.068  113.379   43.609  144.626   65.420 -31.24634 78.62293 
1 1 1  -21    7   22 o  194.532   26.358   82.079   19.415   72.299   28.669   90.363   26.387  180.315   41.591  208.749   32.391 -28.43393 52.71607 
1 1 1  -21    7   23 o  164.120   27.743   62.060   18.237   40.431   28.579   76.916   23.686  135.863   45.644  192.377   31.550 -56.51488 55.48647 
1 1 1  -21    7   24 o  164.744   28.725   59.588   17.990   68.408   29.038   54.095   22.918  173.376   43.103  156.111   37.982 17.26405 57.44949 
1 1 1  -21    7   25 o  193.903   34.416   84.699   23.780   96.634   46.361   80.438   27.701  197.101   57.025  190.705   38.548 6.395706 68.83177 
1 1 1  -21    7   26 o  164.857   31.338   64.016   20.347   55.554   34.146   68.674   25.336  153.890   49.818  175.824   38.032 -21.93350 62.67593 
1 1 1  -21    7   27 o  206.032   30.964   98.658   23.891   87.922   38.648  105.299   30.394  190.184   51.018  221.880   35.103 -31.69611 61.92760 
1 1 1  -21    8    1 o  334.380   46.053  213.528   30.076  209.811   31.073  268.691  119.701  326.266   24.405  342.493   88.814 -16.22641 92.10635 
1 1 1  -21    8    2 o  583.670   50.000  531.698   52.857  510.119   54.105  983.278  247.511  508.063   27.289  659.277   96.204 -151.2143 99.99975 
1 1 1  -21    8    3 o  699.864   26.804  982.406   68.188  987.179   82.799  972.348  120.204  705.708   30.066  694.019   44.383 11.68915 53.60754 
1 1 1  -21    8    4 o  471.175   25.961  425.644   41.397  408.292   47.447  480.962   84.717  454.513   26.751  487.836   44.501 -33.32333 51.92203 
1 1 1  -21    8    5 o  436.483   31.664  390.925   52.790  417.453   69.559  354.891   81.068  456.068   39.083  416.897   49.830 39.17062 63.32845 
1 1 1  -21    8    6 o  319.937   26.425  158.378   24.510  139.304   26.292  284.930   67.725  265.529   25.374  374.344   46.360 -108.8150 52.84967 
1 1 1  -21    8    7 o  522.477   27.815  485.335   45.240  447.581   49.792  663.951  108.302  475.420   26.838  569.534   48.729 -94.11343 55.63068 
1 1 1  -21    8    8 o  236.773   38.855  105.135   22.730  102.001   23.851  136.156   75.041  226.846   26.943  246.700   72.890 -19.85478 77.70976 
1 1 1  -21    8    9 o  309.662   32.074  177.428   33.700  160.213   38.308  236.340   70.867  282.580   34.739  336.743   53.928 -54.16345 64.14861 
1 1 1  -21    8   10 o  175.432   67.751   52.124   65.794   0.0000   0.0000   52.124   65.794  ?   ?   175.432   67.751      ?      ? 
1 1 1  -21    8   11 o  191.197   21.861   74.469   15.873   78.556   21.864   69.914   23.081  198.497   28.225  183.897   33.392 14.59999 43.72272 
1 1 1  -21    8   12 o  336.458   19.883  224.425   25.945  211.995   34.475  240.660   39.400  326.072   27.093  346.845   29.109 -20.77353 39.76641 
1 1 1  -21    8   13 o  244.358   29.855  123.069   25.886  130.608   46.049  119.586   31.300  245.404   49.787  243.312   32.965 2.091278 59.71080 
1 1 1  -21    8   14 o  232.452   22.172  109.362   20.007  112.318   27.183  105.867   29.553  236.342   29.473  228.563   33.133 7.779922 44.34493 
1 1 1  -21    8   15 o  308.925   20.206  191.954   24.319  192.304   33.473  191.562   35.392  309.497   27.714  308.353   29.412 1.143829 40.41212 
1 1 1  -21    8   16 o  575.324   21.234  667.537   47.489  653.446   64.123  684.655   70.675  569.373   28.859  581.275   31.157 -11.90149 42.46872 
1 1 1  -21    8   17 o  205.364   24.180   87.364   18.760   72.453   25.965  103.647   27.133  184.598   37.327  226.129   30.748 -41.53050 48.36031 
1 1 1  -21    8   18 o  168.501   25.249   60.774   17.379   22.623   24.206  101.362   24.968  112.965   41.647  224.036   28.558 -111.0711 50.49809 
1 1 1  -21    8   19 o  174.613   25.283   65.193   16.573   62.202   24.677   67.652   22.368  169.974   38.140  179.252   33.200 -9.277893 50.56557 
1 1 1  -21    8   20 o  124.803   39.835  -2.7329   21.518  -6.8122   22.347   49.222   79.750   79.074   35.353  170.532   71.397 -91.45821 79.67062 
1 1 1  -21    8   21 o  433.674   21.319  384.667   35.929  372.350   48.353  399.850   53.686  426.722   29.037  440.626   31.222 -13.90424 42.63728 
1 1 1  -21    8   22 o  314.683   22.453  205.345   27.561  199.633   38.314  211.470   39.676  310.214   31.649  319.153   31.857 -8.939362 44.90569 
1 1 1  -21    8   23 o   96.229   26.729   13.278   13.168   17.176   26.192   11.959   15.232  106.355   42.244   86.104   32.761 20.25172 53.45901 
1 1 1  -21    8   24 o  164.795   30.019   62.341   19.279   57.151   30.501   65.795   24.880  157.194   46.477  172.396   38.005 -15.20187 60.03748 
1 1 1  -21    8   25 o   97.407   29.942   7.8391   13.906   3.9099   44.801   8.2581   14.629  115.295   50.883   79.519   31.575 35.77597 59.88373 
1 1 1  -21    8   26 o  355.068   23.645  266.718   32.751  261.108   46.552  272.216   46.086  350.910   33.995  359.226   32.876 -8.315796 47.29090 
1 1 1  -21    9    2 o  301.530   29.505  142.671   28.126  118.841   30.789  262.841   69.140  244.355   32.288  358.705   49.392 -114.3501 59.00975 
1 1 1  -21    9    3 o  932.958   51.106  1785.41  186.065   0.0000   0.0000  1785.41  186.065  ?   ?   932.958   51.106      ?      ? 
1 1 1  -21    9    4 o  265.788   30.388   90.229   19.422   79.175   20.189  227.517   71.148  200.090   25.856  331.485   55.001 -131.3946 60.77504 
1 1 1  -21    9    5 o  390.408   27.680  181.637   31.814  124.220   34.069  572.769   88.922  249.136   35.043  531.679   42.857 -282.5432 55.36016 
1 1 1  -21    9    6 o  601.597   29.516  714.217   58.167  698.569   66.006  768.604  123.054  593.106   28.518  610.089   51.686 -16.98267 59.03138 
1 1 1  -21    9    7 o  233.109   36.186   67.033   18.192   59.217   18.755  191.385   74.808  172.677   27.832  293.540   66.807 -120.8633 72.37259 
1 1 1  -21    9    8 o  524.650   48.123  567.413   98.527   0.0000   0.0000  567.413   98.527  ?   ?   524.650   48.123      ?      ? 
1 1 1  -21    9    9 o  175.500   34.247   76.700   20.524   84.572   21.570   1.3499   66.732  206.272   26.796  144.729   63.034 61.54259 68.49315 
1 1 1  -21    9   10 f  243.329   72.508  136.429   74.016   0.0000   0.0000  136.429   74.016  ?   ?   243.329   72.508      ?      ? 
1 1 1  -21    9   11 o  389.314   33.297  315.185   37.381  315.198   41.013  315.123   90.859  397.737   26.424  380.892   61.127 16.84467 66.59367 
1 1 1  -21    9   12 o  260.037   45.952  141.957   41.640  127.529   47.912  186.499   84.183  241.156   52.408  278.919   75.497 -37.76292 91.90421 
1 1 1  -21    9   13 o  318.295   63.028  211.766   34.605  208.814   35.045  327.087  219.067  322.770   27.823  313.819  122.947 8.950592 126.0553 
1 1 1  -21    9   14 o  199.605   39.902   98.184   25.216  104.047   26.262   28.938   90.255  227.214   29.618  171.995   74.105 55.21965 79.80483 
1 1 1  -21    9   15 o  255.968   21.161  133.637   20.851  156.185   29.255  110.358   29.725  278.977   26.872  232.958   32.698 46.01839 42.32291 
1 1 1  -21    9   16 o  285.485   21.351  166.362   23.544  187.574   32.740  143.642   33.883  305.381   27.473  265.589   32.692 39.79184 42.70263 
1 1 1  -21    9   17 o  132.153   24.694   37.423   14.566   11.344   21.612   59.130   19.718   96.049   38.303  168.257   31.178 -72.20763 49.38843 
1 1 1  -21    9   18 o  118.304   24.298   25.333   11.873   45.161   20.363   15.119   14.615  145.205   36.092   91.404   32.540 53.80045 48.59533 
1 1 1  -21    9   19 o  201.723   44.179   84.682   26.458   82.860   27.620  104.974   92.177  196.789   37.331  206.658   80.085 -9.868195 88.35896 
1 1 1  -21    9   20 o  237.974   27.840  126.048   24.030   98.427   37.206  145.816   31.476  209.149   46.759  266.800   30.232 -57.65044 55.68080 
1 1 1  -21    9   21 o  128.330   27.445   36.727   15.275   24.621   24.943   43.991   19.322  114.384   42.256  142.275   35.034 -27.89059 54.89011 
1 1 1  -21    9   22 f  151.305   27.765   53.962   17.861   25.366   27.945   73.711   23.223  117.183   44.424  185.427   33.318 -68.24414 55.53021 
1 1 1  -21    9   23 o  409.239   21.773  348.298   34.748  354.561   48.585  341.739   49.717  413.561   30.104  404.917   31.464 8.644562 43.54577 
1 1 1  -21    9   24 o  194.732   35.623   80.068   22.972  109.946   52.306   72.928   25.570  207.418   60.733  182.046   37.248 25.37250 71.24518 
1 1 1  -21    9   25 o  117.230   29.282   28.416   15.587   22.326   31.673   30.362   17.905  116.307   46.373  118.152   35.766 -1.845688 58.56340 
1 1 1  -21    9   26 o  151.597   31.862   49.897   18.852   64.534   34.993   43.911   22.377  163.748   50.093  139.446   39.387 24.30219 63.72337 
1 1 1  -21   10    1 o  352.841   31.723  234.814   32.019  226.439   34.719  282.451   82.802  338.155   26.310  367.527   57.733 -29.37137 63.44523 
1 1 1  -21   10    2 o  534.790   29.288  566.567   50.959  556.643   57.722  601.629  108.493  529.646   27.927  539.935   51.491 -10.28918 58.57656 
1 1 1  -21   10    3 o  779.643   29.516  1167.85   78.807  1102.34   90.656  1370.48  159.437  743.621   31.240  815.666   50.089 -72.04523 59.03282 
1 1 1  -21   10    4 o  559.398   28.988  621.476   53.444  610.657   60.872  657.869  111.639  554.448   28.134  564.347   50.692 -9.898926 57.97535 
1 1 1  -21   10    5 o  536.638   34.525  648.663   56.883  693.901   64.803  496.788  118.738  590.857   28.105  482.420   63.072 108.4364 69.05005 
1 1 1  -21   10    6 o  494.073   53.435  509.814  103.026   0.0000   0.0000  509.814  103.026  ?   ?   494.073   53.435      ?      ? 
1 1 1  -21   10    7 o  326.695   40.496  179.025   35.180  161.329   37.456  311.522  102.490  283.363   33.872  370.027   73.568 -86.66434 80.99102 
1 1 1  -21   10    8 o  156.626   34.816   55.767   18.317   61.250   18.787 -49.8924   82.469  175.370   27.451  137.882   63.992 37.48723 69.63174 
1 1 1  -21   10    9 o  517.695   30.580  471.161   47.150  431.941   51.216  689.186  120.755  465.118   28.217  570.272   54.261 -105.1537 61.15946 
1 1 1  -21   10   10 o  260.735   50.463  149.508   47.021  141.043   53.603  177.770   97.939  252.706   55.843  268.764   84.069 -16.05867 100.9261 
1 1 1  -21   10   11 o  331.959   47.845  278.235   55.769  320.136   67.121  184.822  100.220  392.643   43.806  271.275   85.073 121.3686 95.68919 
1 1 1  -21   10   12 o  181.163   48.190   58.831   22.235   60.523   22.441 -32.3658  164.742  169.609   35.063  192.717   89.776 -23.10722 96.38017 
1 1 1  -21   10   13 o  190.140   43.265   38.496   18.251   32.629   18.677  162.845   85.985  124.755   36.223  255.525   78.583 -130.7705 86.52996 
1 1 1  -21   10   14 o  107.842   35.799   5.2141   14.918   7.2397   15.130 -65.3348   89.293   80.245   32.034  135.438   64.032 -55.19322 71.59831 
1 1 1  -21   10   15 o  122.135   39.910  -2.1246   14.083  -3.6154   14.276   51.775   85.839   64.991   28.701  179.279   74.481 -114.2884 79.81946 
1 1 1  -21   10   16 o  270.538   43.654  152.473   29.412  148.322   30.948  191.183   94.506  270.844   29.281  270.231   82.252 0.6127625 87.30824 
1 1 1  -21   10   17 o  108.412   37.094  -4.9254   14.857  -4.9518   15.089  -4.0861   85.053   65.490   29.182  151.334   68.208 -85.84406 74.18810 
1 1 1  -21   10   18 o  242.605   42.186   60.972   22.667   47.458   23.335  287.024   95.437  147.833   39.637  337.377   74.481 -189.5443 84.37104 
1 1 1  -21   10   19 o  163.254   41.158   61.406   28.720   69.403   30.022 -24.8666   98.608  176.598   43.781  149.910   69.709 26.68793 82.31672 
1 1 1  -21   10   20 o  260.886   23.035  141.246   23.316  123.051   32.549  160.423   33.417  242.746   34.360  279.026   30.689 -36.27911 46.06994 
1 1 1  -21   10   21 o   82.448   23.777   6.8406   10.455   10.713   21.857   5.6914   11.906   94.129   38.174   70.767   28.358 23.36263 47.55404 
1 1 1  -21   10   22 o  473.640   22.159  466.728   40.869  461.644   55.885  472.572   59.920  471.790   30.354  475.490   32.292 -3.699921 44.31873 
1 1 1  -21   10   23 o  390.676   22.579  318.430   34.393  302.238   47.583  336.145   49.770  380.179   32.072  401.172   31.791 -20.99338 45.15871 
1 1 1  -21   10   24 o  142.995   33.560   49.045   20.768   12.106   53.329   55.649   22.549  127.534   55.924  158.456   37.117 -30.92194 67.12057 
1 1 1  -21   10   25 o  541.906   31.969  617.320   67.607  617.320   67.607   0.0000   0.0000  541.906   31.969  ?   ?       ?      ? 
1 1 1  -21   11    1 o  683.896   31.190  851.246   65.496  791.839   71.918  1140.03  158.564  630.452   29.231  737.340   55.107 -106.8882 62.37979 
1 1 1  -21   11    2 o  395.668   32.693  311.058   36.594  306.251   39.780  337.509   93.319  392.900   25.945  398.436   60.018 -5.535736 65.38541 
1 1 1  -21   11    3 o  485.909   38.963  471.810   66.578  441.317   77.792  555.301  128.722  464.865   42.882  506.953   65.066 -42.08829 77.92585 
1 1 1  -21   11    4 o  332.501   46.139  247.365   35.032  248.611   36.873  235.820  112.272  353.682   26.716  311.320   88.325 42.36182 92.27718 
1 1 1  -21   11    5 o  280.157   38.345  134.560   25.899  125.869   27.208  218.359   84.490  251.395   27.734  308.919   71.500 -57.52487 76.69061 
1 1 1  -21   11    6 o  439.644   62.840  418.965  107.812   0.0000   0.0000  418.965  107.812  ?   ?   439.644   62.840      ?      ? 
1 1 1  -21   11    7 o  305.769   48.093  228.583   35.389  233.493   37.150  180.462  116.304  342.050   27.832  269.489   92.071 72.56107 96.18539 
1 1 1  -21   11    8 o  549.614   62.411  660.702  133.861   0.0000   0.0000  660.702  133.861  ?   ?   549.614   62.411      ?      ? 
1 1 1  -21   11    9 o  179.954   46.155   30.139   17.395   26.452   17.666  147.189   99.545  114.157   35.705  245.752   85.125 -131.5947 92.30967 
1 1 1  -21   11   10 o  295.907   53.236  203.981   54.213  198.741   61.301  222.788  116.143  300.815   54.214  290.999   91.635 9.816315 106.4712 
1 1 1  -21   11   11 f  206.741   94.339   19.788  168.935   0.0000   0.0000   19.788  168.935  ?   ?   206.741   94.339      ?      ? 
1 1 1  -21   11   12 f  376.276   67.772  373.685   72.944  369.586   76.963  409.880  228.705  417.705   47.215  334.846  127.054 82.85919 135.5433 
1 1 1  -21   11   13 o  220.249   42.422  131.134   28.708  139.091   29.652   12.140  114.673  262.643   28.930  177.854   79.760 84.78880 84.84452 
1 1 1  -21   11   14 o  163.787   55.800   1.4530   14.482   0.2065   14.529  192.682  179.958   69.877   29.912  257.697  107.516 -187.8199 111.5993 
1 1 1  -21   11   15 o  217.620   47.993   46.686   21.184   39.003   21.593  243.460  109.281  135.247   38.857  299.992   87.770 -164.7446 95.98629 
1 1 1  -21   11   16 o  367.109   45.555  311.879   40.551  311.757   43.303  312.749  115.596  392.782   28.251  341.436   86.620 51.34622 91.11088 
1 1 1  -21   11   17 f  294.844   44.392  179.245   32.628  171.889   34.474  242.455  101.055  290.431   30.417  299.256   83.412 -8.824219 88.78453 
1 1 1  -21   11   18 o  174.657   40.393   76.979   28.652   86.316   29.797 -37.5665  104.363  199.389   39.690  149.925   70.364 49.46362 80.78604 
1 1 1  -21   11   19 o  422.671   46.148  454.494   68.616  548.318   90.313  326.385  105.531  499.590   46.324  345.752   79.829 153.8383 92.29624 
1 1 1  -21   11   20 o  142.838   35.365   47.960   23.254   57.353   24.524 -35.7728   73.222  160.725   39.404  124.951   58.737 35.77466 70.72996 
1 1 1  -21   11   21 o  251.306   40.659  164.808   32.532  171.974   35.921  132.119   76.724  287.054   32.067  215.558   74.729 71.49609 81.31895 
1 1 1  -21   11   22 o  138.305   33.488   44.451   26.697   67.271   28.538 -115.4905   75.554  172.003   42.712  104.608   51.589 67.39506 66.97564 
1 1 1  -21   11   23 o  167.109   51.913   54.663   54.564   64.263   57.679 -27.0767  168.308  164.685   63.481  169.532   82.158 -4.847610 103.8254 
1 1 1  -21   11   24 o  326.493   38.952  248.260   39.662  242.666   45.025  267.634   83.792  338.351   34.100  314.636   70.045 23.71548 77.90433 
1 1 1  -21   11   25 o  192.890   45.953   81.891   31.551   72.287   33.961  142.442   85.272  173.690   48.334  212.091   78.171 -38.40150 91.90658 
1 1 1  -21   12    1 o  641.021   32.343  728.628   61.078  671.670   66.219  1053.31  158.099  579.713   29.271  702.330   57.684 -122.6172 64.68572 
1 1 1  -21   12    2 o  285.852   51.346  181.702   31.786  181.756   32.689  180.754  136.139  301.892   27.747  269.811   98.873 32.08047 102.6927 
1 1 1  -21   12    3 o  505.007   32.069  466.141   46.119  439.800   49.781  625.662  122.507  469.736   27.157  540.278   58.105 -70.54254 64.13784 
1 1 1  -21   12    4 o  183.193   37.297   81.693   21.386   87.498   22.106  -2.9986   84.435  209.482   27.042  156.905   69.519 52.57637 74.59366 
1 1 1  -21   12    5 o  164.012   42.245   33.731   17.379   31.221   17.774   88.241   82.833  122.624   35.260  205.401   76.780 -82.77769 84.48971 
1 1 1  -21   12    6 o  356.582   44.226  299.809   39.685  306.979   42.773  255.455  106.379  391.763   27.978  321.402   83.912 70.36032 88.45288 
1 1 1  -21   12    7 o  181.204   43.186   62.216   21.755   62.823   22.302   50.310   98.764  173.350   34.183  189.059   79.321 -15.70833 86.37296 
1 1 1  -21   12    8 o  203.115   42.599   91.953   51.292  170.465   59.756 -127.8063   99.973  276.296   57.300  129.934   63.050 146.3618 85.19728 
1 1 1  -21   12    9 o  290.960   54.140  205.817   57.492  205.500   66.540  206.750  114.193  302.674   58.451  279.246   91.149 23.42844 108.2803 
1 1 1  -21   12   10 o  507.308   29.725  518.980   58.846  518.980   58.846   0.0000   0.0000  507.308   29.725  ?   ?       ?      ? 
1 1 1  -21   12   11 o  244.585   58.142  101.504   29.528   98.530   29.900  218.842  187.821  219.523   34.902  269.648  110.924 -50.12498 116.2850 
1 1 1  -21   12   12 o  368.388   54.081  396.709   70.478  469.422   82.459  199.592  135.766  471.729   44.793  265.047   98.451 206.6823 108.1620 
1 1 1  -21   12   13 o  391.966   37.835  260.964   36.868  241.069   38.750  450.921  119.737  345.637   28.729  438.296   70.005 -92.65958 75.67078 
1 1 1  -21   12   14 o  201.228   49.240   82.151   23.925   83.724   24.125 -11.2628  185.908  203.145   30.432  199.310   93.660 3.834869 98.48042 
1 1 1  -21   12   15 o  236.328   46.045  128.881   27.823  129.423   28.723  120.634  112.042  252.750   29.121  219.905   87.364 32.84459 92.08984 
1 1 1  -21   12   16 o  265.302   49.084  146.007   30.655  141.334   31.719  212.191  119.360  263.127   30.890  267.478   93.181 -4.350372 98.16771 
1 1 1  -21   12   17 o  287.455   49.558  245.929   39.490  254.843   41.062  136.160  144.096  353.202   29.791  221.709   94.534 131.4929 99.11679 
1 1 1  -21   12   18 o  160.173   73.112   8.5510  101.562   0.0000   0.0000   8.5510  101.562  ?   ?   160.173   73.112      ?      ? 
1 1 1  -21   12   19 o  305.512   44.346  256.693   38.668  270.154   42.280  187.857   95.609  361.906   29.937  249.119   83.486 112.7876 88.69164 
1 1 1  -21   12   20 o  138.295   34.168   45.474   23.512   58.051   24.740 -71.8579   75.565  161.248   39.604  115.342   55.690 45.90605 68.33663 
1 1 1  -21   12   21 o  339.325   47.866  307.533   60.653  352.816   79.716  245.279   93.468  389.723   52.415  288.927   80.108 100.7959 95.73235 
1 1 1  -21   12   22 o  109.701   39.383 -109.7273   46.461 -114.7626   50.564 -82.4307  117.730   79.353   39.643  140.048   68.064 -60.69495 78.76667 
1 1 1  -21   12   23 o  204.569   39.166  119.476   33.093  135.152   36.365   43.940   79.828  250.777   37.159  158.361   68.958 92.41545 78.33239 
1 1 1  -21   12   24 o  112.591   35.006   11.814   25.265   21.813   26.883 -63.8315   73.943  111.048   43.189  114.135   55.103 -3.086815 70.01207 
1 1 1  -21   13    1 o  219.413   67.475  110.512   63.395  110.512   63.395   0.0000   0.0000  219.413   67.475  ?   ?       ?      ? 
1 1 1  -21   13    2 o  214.328   47.419   68.349   21.699   64.587   22.148  158.420  108.364  176.079   33.456  252.576   88.741 -76.49759 94.83760 
1 1 1  -21   13    3 o  379.582   52.506  244.619   36.457  232.839   37.400  469.289  163.331  340.969   28.108  418.195  101.180 -77.22668 105.0118 
1 1 1  -21   13    4 o  154.960   42.915   26.119   16.001   24.381   16.259   79.385   90.021  109.674   34.246  200.245   78.702 -90.57099 85.83022 
1 1 1  -21   13    5 o  164.800   42.457   40.907   17.040   40.188   17.331   61.769   93.374  138.317   32.636  191.282   78.393 -52.96483 84.91473 
1 1 1  -21   13    6 f  331.957   47.156  252.921   37.521  253.231   39.700  250.325  114.825  355.048   28.653  308.866   89.855 46.18250 94.31296 
1 1 1  -21   13    7 o  218.528   52.340  117.625   54.362  138.932   62.878   54.554  108.182  243.915   64.915  193.142   82.121 50.77284 104.6794 
1 1 1  -21   13    8 o  107.014   36.461   5.5347   12.803   7.2438   12.895 -112.1135  106.990   76.001   29.814  138.028   66.548 -62.02654 72.92156 
1 1 1  -21   13    9 o  304.567   57.873  229.238   39.030  229.359   39.883  226.498  189.761  336.810   30.344  272.323  111.698 64.48727 115.7457 
1 1 1  -21   13   10 o  149.177   47.970   21.189   15.992   21.390   16.075   1.8496  157.800  103.913   34.212  194.442   89.632 -90.52891 95.93917 
1 1 1  -21   13   11 o  148.368   49.985   13.886   15.104   13.709   15.165   35.995  169.135   89.969   32.995  206.768   94.368 -116.7987 99.97020 
1 1 1  -21   13   12 o  367.448   69.386  371.735   81.139  364.706   86.424  423.989  235.633  407.692   54.321  327.203  127.698 80.48843 138.7713 
1 1 1  -21   13   13 o  270.023   47.227  153.648   31.016  149.591   32.337  200.267  109.619  271.392   30.533  268.653   89.383 2.738556 94.45457 
1 1 1  -21   13   14 o  155.803   51.113   22.225   16.684   22.151   16.750   31.632  188.635  105.372   34.934  206.233   96.071 -100.8609 102.2250 
1 1 1  -21   13   15 o  219.903   41.374  134.149   28.958  142.573   30.141   33.065  104.405  264.789   29.169  175.016   77.436 89.77351 82.74731 
1 1 1  -21   13   16 o  234.841   40.082  179.187   33.442  197.150   34.797 -38.0164  120.999  311.035   28.668  158.648   74.862 152.3873 80.16358 
1 1 1  -21   13   17 o  171.300   35.046   80.556   28.957  100.135   30.568 -90.6140   90.384  218.340   35.876  124.260   60.215 94.07990 70.09261 
1 1 1  -21   13   18 o  306.727   41.548  286.272   40.230  333.108   45.744  126.364   84.523  402.387   29.131  211.067   77.822 191.3208 83.09544 
1 1 1  -21   13   19 o  120.733   35.342   23.181   19.768   26.711   20.624 -16.6862   69.309  113.604   38.772  127.862   59.102 -14.25867 70.68442 
1 1 1  -21   13   20 o  226.632   37.649  158.928   33.656  185.908   37.080   32.767   80.183  298.365   31.847  154.900   68.232 143.4649 75.29790 
1 1 1  -21   13   21 o  169.500   51.216   61.364   60.212   85.042   67.033 -37.5494  137.008  181.117   68.770  157.883   75.915 23.23416 102.4326 
1 1 1  -21   13   22 o  291.782   53.356  270.471   46.221  273.273   47.691  227.116  187.584  359.365   34.007  224.199  101.149 135.1665 106.7124 
1 1 1  -21   13   23 o  146.083   42.821   29.005   27.216   21.601   28.904   86.902   80.825  112.683   44.498  179.484   73.174 -66.80125 85.64188 
1 1 1  -21   14    1 o  329.191   62.369  238.718   66.837  211.219   73.518  369.717  160.464  302.815   64.206  355.567  106.945 -52.75134 124.7378 
1 1 1  -21   14    2 o  197.023   55.706   64.519   58.119   44.933   67.553  120.320  114.021  167.067   67.336  226.979   88.762 -59.91254 111.4123 
1 1 1  -21   14    3 o  262.135   49.625  178.595   37.767  184.895   39.283  101.682  137.261  301.612   33.375  222.658   93.469 78.95425 99.24899 
1 1 1  -21   14    4 o  328.286   56.899  225.541   38.836  219.555   39.968  326.801  164.379  329.463   31.086  327.109  109.469 2.354401 113.7976 
1 1 1  -21   14    5 o  275.917   59.683  214.277   73.078  243.337   83.255  116.729  152.536  321.254   68.501  230.579   97.753 90.67502 119.3654 
1 1 1  -21   14    6 o  271.219   60.015  185.568   66.906  175.132   79.920  210.019  122.328  266.889   74.102  275.550   94.424 -8.660828 120.0292 
1 1 1  -21   14    7 o  182.078   41.682   73.780   24.214   77.955   24.804 -10.9555  111.747  195.803   32.461  168.353   76.785 27.45000 83.36494 
1 1 1  -21   14    8 f  215.514   55.833   52.105   20.335   49.028   20.503  237.366  159.077  151.903   35.266  279.125  105.951 -127.2220 111.6656 
1 1 1  -21   14    9 o  145.573   45.528   26.312   17.157   27.573   17.254 -84.8161  161.943  115.340   35.153  175.805   83.997 -60.46546 91.05644 
1 1 1  -21   14   10 o  129.785   48.849  -5.5027   9.5118  -5.6995   9.5272   54.945  166.973   49.374   22.481  210.197   95.076 -160.8230 97.69732 
1 1 1  -21   14   11 o  277.740   55.218  203.103   36.805  205.436   37.427  134.659  202.747  318.250   30.136  237.230  106.244 81.01962 110.4358 
1 1 1  -21   14   12 o  232.773   52.761  125.515   31.395  127.179   31.779   57.778  202.727  249.336   32.660  216.209  100.340 33.12711 105.5212 
1 1 1  -21   14   13 o  274.615   46.369  176.669   32.587  175.920   34.252  183.815  105.821  294.042   29.850  255.187   87.803 38.85504 92.73808 
1 1 1  -21   14   14 o  137.855   40.778   29.563   17.812   31.633   18.003 -66.3248  122.559  121.910   35.612  153.800   73.369 -31.89030 81.55556 
1 1 1  -21   14   15 o  216.852   43.664  127.228   29.775  132.856   30.650   32.808  125.537  254.209   30.896  179.497   81.681 74.71211 87.32860 
1 1 1  -21   14   16 o  115.451   36.939   11.260   16.685   12.311   17.019 -14.6902   84.546   89.484   34.486  141.418   65.336 -51.93378 73.87852 
1 1 1  -21   14   17 o  238.303   35.488  185.027   35.138  232.380   39.383   0.1955   77.808  335.375   30.092  141.231   64.282 194.1438 70.97690 
1 1 1  -21   14   18 o  242.766   50.575  157.322   35.740  157.521   36.629  153.367  163.219  273.394   34.332  212.139   95.144 61.25540 101.1491 
1 1 1  -21   14   19 o  184.275   43.546   87.673   28.348   92.279   28.875 -34.9641  148.991  205.346   37.412  163.204   78.648 42.14209 87.09253 
1 1 1  -21   14   20 o  130.060   44.984 -62.9629   58.878 -66.0877   66.081 -50.9278  129.683  107.979   52.121  152.141   73.331 -44.16219 89.96718 
1 1 1  -21   14   21 o  189.376   51.943   74.854   32.027   72.316   32.657  138.686  163.790  175.689   46.795  203.064   92.750 -27.37511 103.8863 
1 1 1  -21   14   22 o  149.198   40.479   51.002   29.195   58.142   30.827 -11.1338   90.939  157.218   46.781  141.178   66.074 16.04008 80.95860 
1 1 1  -21   15    1 o  182.133   60.177 -13.4773   83.668   25.187  191.806 -22.5632   92.980  212.296   98.197  151.970   69.589 60.32628 120.3547 
1 1 1  -21   15    2 o  221.111   54.513  122.836   63.439  162.665   75.434   26.610  117.249  257.981   72.122  184.241   81.762 73.73930 109.0262 
1 1 1  -21   15    3 o  185.255   51.721   56.913   63.588  116.710   76.149 -80.8334  115.575  219.667   74.503  150.843   71.761 68.82425 103.4423 
1 1 1  -21   15    4 o  215.857   57.480  112.673   67.779  139.073   79.589   42.990  129.305  236.629   76.002  195.085   86.253 41.54398 114.9598 
1 1 1  -21   15    5 o  316.078   56.316  242.703   39.242  241.809   40.373  257.987  166.966  345.764   29.921  286.391  108.585 59.37384 112.6320 
1 1 1  -21   15    6 o  501.946   30.475  510.466   59.694  510.466   59.694   0.0000   0.0000  501.946   30.475  ?   ?       ?      ? 
1 1 1  -21   15    7 o  148.851   47.471   21.988   15.269   22.138   15.344   6.6820  154.576  104.635   33.346  193.067   88.893 -88.43257 94.94131 
1 1 1  -21   15    8 o  140.418   49.073   9.1177   12.256   9.0351   12.288   25.276  171.859   77.635   29.452  203.201   93.622 -125.5658 98.14526 
1 1 1  -21   15    9 o  136.053   44.870 -40.0714   58.034 -19.2705   73.599 -74.2633   94.361  136.410   62.255  135.697   64.635 0.7138824 89.74042 
1 1 1  -21   15   10 o  272.770   44.006  207.305   37.308  223.769   40.445  113.362   96.612  331.328   31.281  214.211   82.266 117.1175 88.01236 
1 1 1  -21   15   11 o  164.164   42.332   12.480   13.783   8.4679   13.965  163.540   85.695   79.564   31.078  248.764   78.754 -169.1998 84.66441 
1 1 1  -21   15   12 o  168.492   53.264   31.952   18.573   31.558   18.650   79.224  204.311  121.936   36.411  215.049  100.112 -93.11245 106.5279 
1 1 1  -21   15   13 o  129.152   40.099   13.646   14.058   12.733   14.241   48.448   87.918   86.483   31.933  171.820   73.566 -85.33687 80.19760 
1 1 1  -21   15   14 o  177.963   42.762   56.404   20.963   53.510   21.602  103.168   86.840  156.924   36.036  199.002   77.561 -42.07797 85.52390 
1 1 1  -21   15   15 o  146.143   50.286   17.188   17.340   17.061   17.398   36.146  212.721   96.791   35.365  195.495   94.149 -98.70332 100.5721 
1 1 1  -21   15   16 o  151.507   40.861   41.758   20.989   41.171   21.654   50.858   85.315  136.421   38.820  166.593   71.912 -30.17149 81.72131 
1 1 1  -21   15   17 o  213.729   40.061  127.288   30.444  136.378   32.575   64.553   85.576  255.176   32.713  172.282   73.139 82.89438 80.12105 
1 1 1  -21   15   18 o  242.034   42.402  136.595   30.627  132.779   32.943  160.915   83.155  251.175   33.609  232.894   77.860 18.28088 84.80421 
1 1 1  -21   15   19 o  191.578   57.474  102.190   73.356  117.411   82.229   42.864  162.338  201.505   76.250  181.651   86.018 19.85387 114.9482 
1 1 1  -21   15   20 o  195.491   50.346   85.717   30.336   84.510   30.859  120.432  165.499  193.014   42.150  197.969   91.444 -4.954636 100.6912 
1 1 1  -21   15   21 o  148.258   38.154   54.218   28.921   67.243   30.358 -73.6908   95.135  169.613   45.090  126.903   61.562 42.71001 76.30798 
1 1 1  -21   16    1 o  275.475   58.090  216.497   78.376  291.292   96.606   72.464  134.060  344.818   74.007  206.132   89.560 138.6861 116.1809 
1 1 1  -21   16    2 o  271.673   58.078  212.371   78.720  284.382   95.397   58.692  139.361  340.542   73.907  202.804   89.611 137.7375 116.1566 
1 1 1  -21   16    3 o  289.836   60.984  247.769   80.990  295.513   96.417  133.342  149.266  347.678   73.369  231.995   97.434 115.6839 121.9686 
1 1 1  -21   16    4 o  411.876   71.748  455.507   94.811  433.253  103.909  566.164  231.702  437.689   60.835  386.064  129.963 51.62546 143.4968 
1 1 1  -21   16    5 o  211.882   58.290  107.872   73.686  145.239   84.283 -13.3294  151.792  238.240   78.334  185.524   86.342 52.71613 116.5810 
1 1 1  -21   16    6 o  144.322   66.160 -21.2425   84.357 -21.2425   84.357   0.0000   0.0000  144.322   66.160  ?   ?       ?      ? 
1 1 1  -21   16    7 o  230.185   51.791  120.569   30.219  121.823   30.640   75.872  182.948  244.184   32.154  216.186   98.465 27.99722 103.5818 
1 1 1  -21   16    8 o  299.491   55.951  261.247   42.776  265.770   43.667  153.787  212.848  360.994   30.997  237.988  107.523 123.0057 111.9017 
1 1 1  -21   16    9 o  255.667   71.550  177.723   87.573  156.234   95.544  290.628  219.000  239.151   83.365  272.182  116.311 -33.03160 143.1010 
1 1 1  -21   16   10 o  159.746   52.826   21.686   15.166   21.252   15.210   96.045  199.099  102.415   33.258  217.076  100.280 -114.6609 105.6515 
1 1 1  -21   16   11 o  202.812   51.487   84.137   25.594   85.037   25.753   12.054  230.490  202.953   32.516  202.671   97.706 0.2823334 102.9742 
1 1 1  -21   16   12 o   80.224   31.061   9.2892   13.856   9.2892   13.856   0.0000   0.0000   80.224   31.061  ?   ?       ?      ? 
1 1 1  -21   16   13 o  165.286   39.924   63.524   23.938   67.284   24.754   9.3495   93.959  175.502   37.294  155.070   70.604 20.43269 79.84802 
1 1 1  -21   16   14 f  180.592   38.437   85.988   26.653   93.720   27.787  -3.0112   94.274  211.469   33.671  149.715   69.107 61.75455 76.87313 
1 1 1  -21   16   15 o  200.691   52.200   85.700   26.883   85.470   27.067  102.390  230.550  198.243   36.326  203.139   97.877 -4.895462 104.4009 
1 1 1  -21   16   16 o  140.103   43.904   14.617   16.299   12.473   16.503   99.797  104.029   88.566   34.004  191.640   80.957 -103.0738 87.80866 
1 1 1  -21   16   17 o  381.887   48.999  437.031   53.324  477.633   59.779  278.887  117.978  477.870   32.056  285.905   92.607 191.9657 97.99778 
1 1 1  -21   16   18 o  171.226   54.848   45.150   81.957   90.609   90.762 -155.6293  190.745  184.875   76.678  157.577   78.445 27.29715 109.6959 
1 1 1  -21   16   19 o  202.939   46.906  106.149   31.356  108.273   31.896   45.012  171.105  224.771   36.364  181.107   86.478 43.66396 93.81200 
1 1 1  -21   16   20 o   95.953   34.017 -13.4947   18.639 -10.4683   18.998 -91.2072   96.272   68.351   31.357  123.555   60.378 -55.20387 68.03447 
1 1 1  -21   17    1 o  168.167   54.568  -8.3405   76.053 -28.0159   92.745   32.051  132.884  147.600   68.276  188.733   85.142 -41.13293 109.1365 
1 1 1  -21   17    2 o  359.745   76.344  345.056   96.703  292.448  106.998  579.647  225.945  332.593   82.769  386.897  128.307 -54.30408 152.6873 
1 1 1  -21   17    3 o  299.437   68.873  273.035   90.002  275.179  104.073  266.676  179.249  322.032   82.458  276.841  110.339 45.19119 137.7458 
1 1 1  -21   17    4 f  287.175   57.702  258.582   86.293  353.278  102.447   27.294  160.106  378.691   71.954  195.659   90.225 183.0327 115.4033 
1 1 1  -21   17    5 o  211.323   63.509   99.806   83.134   95.912   95.099  112.423  171.197  201.901   80.401  220.744   98.332 -18.84306 127.0178 
1 1 1  -21   17    6 o  252.250   84.287  177.443   97.448  177.443   97.448   0.0000   0.0000  252.250   84.287  ?   ?       ?      ? 
1 1 1  -21   17    7 o  229.658   66.210  150.130   88.732  155.710  100.116  129.693  191.589  235.326   85.008  223.991  101.531 11.33580 132.4196 
1 1 1  -21   17    8 o  126.417   44.550   9.9200   12.332   10.392   12.362 -87.4868  177.554   79.719   29.689  173.114   84.007 -93.39439 89.09901 
1 1 1  -21   17    9 o  155.078   53.438 -66.6410   77.076 -83.7414   85.798   4.8731  175.456  122.900   59.340  187.256   88.889 -64.35584 106.8764 
1 1 1  -21   17   10 o  148.752   37.265   48.455   21.586   48.455   21.586   0.0000   0.0000  148.752   37.265  ?   ?       ?      ? 
1 1 1  -21   17   11 o  229.477   56.073  100.089   27.489   97.053   27.757  254.920  198.247  215.780   32.963  243.175  107.193 -27.39455 112.1465 
1 1 1  -21   17   12 o  169.755   46.956   55.917   22.781   57.080   22.963 -16.7730  181.557  161.061   37.273  178.449   86.200 -17.38875 93.91281 
1 1 1  -21   17   13 o  153.607   42.751   47.792   21.273   50.808   21.416 -175.7588  184.392  151.900   36.568  155.314   77.287 -3.414551 85.50172 
1 1 1  -21   17   14 o  191.872   45.494   91.410   27.706   94.684   27.978 -74.3479  199.090  212.092   33.803  171.652   84.476 40.43983 90.98847 
1 1 1  -21   17   15 o  191.696   46.725   87.184   26.120   89.387   26.298 -74.3740  225.175  206.512   32.632  176.880   87.567 29.63171 93.44946 
1 1 1  -21   17   16 o  209.672   59.361  116.245   69.619   67.690   83.889  223.677  124.784  172.451   72.767  246.893   93.808 -74.44244 118.7228 
1 1 1  -21   17   17 o  183.085   47.617   77.739   28.599   79.353   28.964   15.044  180.564  187.829   40.692  178.341   86.103 9.488281 95.23418 
1 1 1  -21   17   18 o  187.196   38.436  103.059   31.332  116.505   32.664 -51.7566  110.836  233.224   35.889  141.168   67.979 92.05608 76.87135 
1 1 1  -21   17   19 o  208.717   49.982   69.108   27.585   57.312   28.497  244.574  109.908  156.556   44.528  260.878   89.498 -104.3223 99.96335 
1 1 1  -21   18    1 o  212.407   63.948  111.811   91.097   89.969  116.896  145.589  145.370  199.865   85.181  224.950   95.402 -25.08530 127.8954 
1 1 1  -21   18    2 o  222.842   64.549  141.794   89.575  156.474  109.641  112.329  155.336  232.195   88.002  213.489   94.456 18.70639 129.0981 
1 1 1  -21   18    3 o  213.735   62.705  123.511   87.364  148.186  106.290   72.127  153.386  227.305   86.527  200.164   90.777 27.14049 125.4093 
1 1 1  -21   18    4 o  136.801   47.004 -106.4588   75.080 -143.2126   95.714 -47.6692  121.052  118.132   58.221  155.469   73.810 -37.33750 94.00871 
1 1 1  -21   18    5 f  176.966   57.070   19.976   78.877 -12.5236   93.771   98.610  145.861  149.323   68.925  204.610   90.979 -55.28708 114.1392 
1 1 1  -21   18    6 o  184.392   76.804   75.852   91.614   75.852   91.614   0.0000   0.0000  184.392   76.804  ?   ?       ?      ? 
1 1 1  -21   18    7 o  232.670   66.001  174.517   87.064  177.175   96.374  162.718  203.046  243.674   83.795  221.666  101.994 22.00783 132.0010 
1 1 1  -21   18    8 o  209.204   77.373  122.150   83.675  122.150   83.675   0.0000   0.0000  209.204   77.373  ?   ?       ?      ? 
1 1 1  -21   18    9 o  195.525   58.240  102.480   75.684  125.704   82.436 -22.1207  190.945  210.729   76.982  180.321   87.416 30.40768 116.4804 
1 1 1  -21   18   10 o  198.887   51.469   81.124   26.327   80.320   26.582  122.408  190.580  191.906   36.835  205.868   96.123 -13.96263 102.9386 
1 1 1  -21   18   11 o  228.744   49.656  141.507   34.523  143.400   35.108   86.186  189.799  260.730   34.506  196.759   93.124 63.97099 99.31158 
1 1 1  -21   18   12 o  184.274   46.304   78.625   25.504   80.560   25.749 -21.9503  185.629  192.593   35.570  175.956   85.504 16.63727 92.60710 
1 1 1  -21   18   13 o  213.778   48.619  117.012   30.515  118.587   30.884   52.293  197.998  237.512   33.321  190.043   91.350 47.46883 97.23709 
1 1 1  -21   18   14 o  205.038   62.377  131.117   85.232  136.718   93.897  104.907  203.135  211.069   81.092  199.007   94.803 12.06221 124.7538 
1 1 1  -21   18   15 o  150.014   52.446 -83.8714   76.189 -121.4777   84.646   76.616  174.863  110.427   54.486  189.602   89.630 -79.17445 104.8915 
1 1 1  -21   18   16 o  153.660   46.195   38.977   22.052   39.199   22.271   27.884  157.395  132.416   39.845  174.903   83.356 -42.48747 92.38984 
1 1 1  -21   18   17 o  175.369   44.995   71.685   26.196   73.231   26.604   22.519  150.073  180.651   38.889  170.087   81.153 10.56444 89.98948 
1 1 1  -21   19    1 o  167.161   53.100   32.930   71.700   38.708   93.364   24.623  111.947  166.034   73.356  168.288   76.794 -2.254547 106.1997 
1 1 1  -21   19    2 o  172.966   53.689   50.124   70.605   73.881   91.271   14.722  111.415  181.204   76.151  164.728   75.705 16.47592 107.3787 
1 1 1  -21   19    3 o  171.927   53.372   50.637   67.687   52.581   85.760   47.424  110.228  168.872   72.490  174.981   78.354 -6.109146 106.7436 
1 1 1  -21   19    4 o  177.010   53.328   66.475   65.352   85.916   80.898   29.956  110.876  185.297   74.037  168.724   76.772 16.57368 106.6560 
1 1 1  -21   19    5 o  134.411   62.121 -15.2715   76.535 -15.2715   76.535   0.0000   0.0000  134.411   62.121  ?   ?       ?      ? 
1 1 1  -21   19    6 o  162.830   69.241   49.391   76.927   49.391   76.927   0.0000   0.0000  162.830   69.241  ?   ?       ?      ? 
1 1 1  -21   19    7 o  188.674   56.402   89.618   68.432   87.511   81.915   94.488  124.506  184.807   74.267  192.541   84.907 -7.734131 112.8042 
1 1 1  -21   19    8 o  210.392   61.537  121.999   69.546  106.664   76.537  194.636  166.571  196.725   73.752  224.059   98.530 -27.33423 123.0750 
1 1 1  -21   19    9 o  220.727  101.680  201.776  202.598   0.0000   0.0000  201.776  202.598  ?   ?   220.727  101.680      ?      ? 
1 1 1  -21   19   10 o  194.551   46.674   93.234   28.984   96.101   29.282 -45.1531  203.441  212.925   35.241  176.176   86.440 36.74893 93.34781 
1 1 1  -21   19   11 o  194.126   51.189   77.597   25.797   77.061   26.005  110.864  204.772  187.489   36.856  200.764   95.513 -13.27417 102.3771 
1 1 1  -21   19   12 o  159.307   49.310   34.521   18.736   33.920   18.837   90.189  181.266  124.412   36.451  194.203   91.636 -69.79074 98.62008 
1 1 1  -21   19   13 o  179.790   85.211   41.504  160.005   0.0000   0.0000   41.504  160.005  ?   ?   179.790   85.211      ?      ? 
1 1 1  -21   19   14 o  180.572   50.293   53.436   21.811   51.152   22.034  164.785  153.842  151.403   37.490  209.740   93.338 -58.33638 100.5860 
1 1 1  -21   19   15 o  176.481   44.839   73.121   25.534   74.874   25.868   6.6557  159.308  183.654   37.365  169.307   81.522 14.34738 89.67727 
1 1 1  -21   20    1 o  198.131   58.769   93.855   69.123   60.016   80.949  184.958  132.822  168.867   71.380  227.396   93.380 -58.52885 117.5371 
1 1 1  -21   20    2 o  164.053   70.781   49.495   82.571   49.495   82.571   0.0000   0.0000  164.053   70.781  ?   ?       ?      ? 
1 1 1  -21   20    3 o  210.496   79.056  131.178   88.018  131.178   88.018   0.0000   0.0000  210.496   79.056  ?   ?       ?      ? 
1 1 1  -21   20    4 o  123.563   58.804 -47.8630   77.739 -47.8630   77.739   0.0000   0.0000  123.563   58.804  ?   ?       ?      ? 
1 1 1  -21   20    5 o  132.527   44.112 -31.5259   56.077 -48.8834   70.563  -1.7728   92.385  117.369   55.902  147.684   68.254 -30.31556 88.22501 
1 1 1  -21   20    6 f  157.376   68.047   41.406   76.648   41.406   76.648   0.0000   0.0000  157.376   68.047  ?   ?       ?      ? 
1 1 1  -21   20    7 o  141.619   49.096 -67.5796   73.915 -70.2596  161.747 -66.8722   83.099  161.061   78.609  122.177   58.841 38.88480 98.19200 
1 1 1  -21   20    8 o  165.043   54.999   7.6431   89.979 -87.2043  176.274   41.065  104.638  162.793   79.992  167.294   75.504 -4.500519 109.9985 
1 1 1  -21   20    9 o  153.700   50.402   3.5043   64.053 -14.8687   75.254   51.811  122.024  132.073   61.237  175.326   80.072 -43.25281 100.8038 
1 1 1  -21   20   10 o  212.074   59.366  136.168   65.950  131.960   72.450  156.512  159.306  214.970   72.672  209.179   93.894 5.790848 118.7321 
1 1 1  -21   20   11 o  194.022   54.372  111.831   62.891  130.126   69.545   29.708  147.344  214.223   71.191  173.821   82.202 40.40237 108.7440 
1 1 1  -21   20   12 o   81.900   34.141 -12.1538   5.6445 -11.9194   5.6498 -136.3118  130.040   28.770   14.173  135.030   66.794 -106.2595 68.28123 
1 1 1  -21   20   13 o  226.965   46.122  154.254   35.921  158.969   36.882   67.315  158.387  272.894   34.633  181.037   85.495 91.85721 92.24374 
1 1 1  -21   21    1 o  149.498   49.483  -2.2201   64.754  -0.0927   74.884  -8.5262  128.929  137.621   62.803  161.374   76.485 -23.75244 98.96576 
1 1 1  -21   21    2 o  161.003   53.267  -3.5812   70.836 -37.8547   81.996   97.247  140.638  129.330   61.210  192.677   87.194 -63.34669 106.5341 
1 1 1  -21   21    3 o  161.296   48.884   21.293   66.361  111.029   81.422 -156.2599  114.531  197.592   75.608  125.001   61.984 72.59052 97.76851 
1 1 1  -21   21    4 o  174.196   53.017   65.103   68.996  102.251   81.667 -27.5327  128.964  191.761   75.084  156.631   74.870 35.13005 106.0335 
1 1 1  -21   21    5 o  190.821   61.857   77.335  112.683 -76.5248  184.338  169.128  142.383  165.846   81.555  215.796   93.027 -49.95049 123.7140 
1 1 1  -21   21    6 o  157.227   77.344 -95.9691  166.294 -95.9691  166.294   0.0000   0.0000  157.227   77.344  ?   ?       ?      ? 
1 1 1  -21   21    7 o  226.251   61.898  167.169   71.979  158.314   80.540  202.305  160.437  230.256   76.616  222.247   97.240 8.009293 123.7967 
1 1 1  -21   21    8 o  123.689   43.090 -88.7719   52.572 -117.1089   59.449   12.886  112.600   88.343   43.949  159.035   74.131 -70.69152 86.17924 
1 1 1  -21   21    9 o  157.529   51.375   12.244   55.884  -9.2946   61.721  110.230  131.648  122.939   56.443  192.120   85.857 -69.18131 102.7490 
1 1 1  -21   21   10 o  172.469   52.443   69.989   55.864   72.042   61.135   59.600  137.534  168.553   65.248  176.386   82.122 -7.833420 104.8869 
1 1 1  -21   22    1 o  161.917   55.775 -43.5746  111.179 -18.5907  174.307 -60.7103  144.356  169.894   82.626  153.939   74.941 15.95454 111.5495 
1 1 1  -21   22    2 o  120.831   43.243 -155.9805   70.328 -153.6216   78.865 -165.1411  155.414   99.342   49.611  142.320   70.843 -42.97726 86.48654 
1 1 1  -21   22    3 o  195.232   66.208  110.508  145.142  106.700  200.772  114.678  210.067  194.366   93.044  196.099   94.216 -1.732956 132.4159 
1 1 1  -21   22    4 o  204.890   68.572  160.188  148.409   59.664  215.915  250.212  204.329  187.327   91.295  222.453  102.341 -35.12576 137.1437 
1 1 1  -21   22    5 o  170.550   59.523 -79.7306  136.279  142.975  208.911 -244.6964  179.802  199.362   95.294  141.738   71.352 57.62372 119.0466 
1 1 1  -21   22    6 o  167.583   82.847 -56.1374  199.000   0.0000   0.0000 -56.1374  199.000  ?   ?   167.583   82.847      ?      ? 
1 1 1  -21   22    7 o  169.921   53.695   62.278   74.657   94.817   83.098 -73.9227  170.011  182.480   74.273  157.362   77.563 25.11768 107.3898 
1 1 1  -20    0    2 o  419.793   17.738  348.821   40.759  348.821   40.759  348.821   40.759  419.793   25.085  419.793   25.085 -0.000000 0.000000 
1 1 1  -20    0    3 o  675.111   20.557  898.817   76.269  898.817   76.269  898.817   76.269  675.111   29.072  675.111   29.072 0.000000 0.000000 
1 1 1  -20    0    4 o  305.276   17.331  185.987   28.765  185.987   28.765  185.987   28.765  305.276   24.509  305.276   24.509 -0.000000 0.000000 
1 1 1  -20    0    5 o  1052.44   37.797  2215.98  218.240  2215.98  218.240  2215.98  218.240  1052.44   53.453  1052.44   53.453 0.000000 0.000000 
1 1 1  -20    0    6 o  303.094   17.710  183.582   29.158  183.582   29.158  183.582   29.158  303.094   25.046  303.094   25.046 -0.000000 0.000000 
1 1 1  -20    0    7 o  307.328   27.344  194.492   44.384  194.492   44.384  194.492   44.384  307.328   38.670  307.328   38.670 -0.000000 0.000000 
1 1 1  -20    0    8 o  117.889   27.140   34.718   15.628   34.718   15.628   34.718   15.628  117.889   38.381  117.889   38.381 0.000000 0.000000 
1 1 1  -20    0    9 o  237.885   18.296  114.752   23.299  114.752   23.299  114.752   23.299  237.885   25.874  237.885   25.874 0.000000 0.000000 
1 1 1  -20    0   10 o  440.989   18.252  385.097   44.073  385.097   44.073  385.097   44.073  440.989   25.813  440.989   25.813 -0.000000 0.000000 
1 1 1  -20    0   11 o  469.317   18.452  435.897   47.454  435.897   47.454  435.897   47.454  469.317   26.095  469.317   26.095 0.000000 0.000000 
1 1 1  -20    0   12 o  423.845   27.143  363.080   62.293  363.080   62.293  363.080   62.293  423.845   38.386  423.845   38.386 0.000000 0.000000 
1 1 1  -20    0   13 o  944.346   24.822  1766.19  128.958  1766.19  128.958  1766.19  128.958  944.346   35.104  944.346   35.104 0.000000 0.000000 
1 1 1  -20    0   14 o  589.505   19.943  688.007   64.544  688.007   64.544  688.007   64.544  589.505   28.204  589.505   28.204 0.000000 0.000000 
1 1 1  -20    0   15 o  466.242   18.897  431.645   48.260  431.645   48.260  431.645   48.260  466.242   26.725  466.242   26.725 -0.000000 0.000000 
1 1 1  -20    0   16 o  556.222   19.681  614.009   60.069  614.009   60.069  614.009   60.069  556.222   27.833  556.222   27.833 0.000000 0.000000 
1 1 1  -20    0   17 o   80.834   30.685   18.780   18.852   18.780   18.852   18.780   18.852   80.834   43.395   80.834   43.395 0.000000 0.000000 
1 1 1  -20    0   18 o  196.296   24.963   83.329   24.442   83.329   24.442   83.329   24.442  196.296   35.303  196.296   35.303 0.000000 0.000000 
1 1 1  -20    0   19 f  533.956   19.900  568.746   58.268  568.746   58.268  568.746   58.268  533.956   28.142  533.956   28.142 0.000000 0.000000 
1 1 1  -20    0   20 o  465.943   19.627  434.358   50.061  434.358   50.061  434.358   50.061  465.943   27.757  465.943   27.757 0.000000 0.000000 
1 1 1  -20    0   21 o   39.954   19.500 -10.8163   14.429 -10.8163   14.429 -10.8163   14.429   39.954   27.577   39.954   27.577 -0.000000 0.000000 
1 1 1  -20    0   22 o   64.765   27.508   8.9858   17.712   8.9858   17.712   8.9858   17.712   64.765   38.903   64.765   38.903 -0.000000 0.000000 
1 1 1  -20    0   23 o  142.463   33.821   52.708   23.743   52.708   23.743   52.708   23.743  142.463   47.829  142.463   47.829 -0.000000 0.000000 
1 1 1  -20    0   24 o  500.877   32.706  528.770   88.636  528.770   88.636  528.770   88.636  500.877   46.253  500.877   46.253 -0.000000 0.000000 
1 1 1  -20    0   25 o   82.456   32.792   19.602   22.643   19.602   22.643   19.602   22.643   82.456   46.375   82.456   46.375 -0.000000 0.000000 
1 1 1  -20    0   26 o  315.333   22.651  206.300   38.486  206.300   38.486  206.300   38.486  315.333   32.033  315.333   32.033 -0.000000 0.000000 
1 1 1  -20    0   27 o   70.717   30.471   10.665   22.387   10.665   22.387   10.665   22.387   70.717   43.092   70.717   43.092 -0.000000 0.000000 
1 1 1  -20    0   28 o   78.823   32.905   16.256   24.535   16.256   24.535   16.256   24.535   78.823   46.535   78.823   46.535 0.000000 0.000000 
1 1 1  -20    0   29 o  138.260   38.091   54.812   27.728   54.812   27.728   54.812   27.728  138.260   53.869  138.260   53.869 -0.000000 0.000000 
1 1 1  -20    1    1 o  225.134   16.946   99.601   14.886  100.395   20.916   98.786   21.190  226.060   23.709  224.208   24.218 1.852570 33.89172 
1 1 1  -20    1    2 o  295.513   16.874  171.569   19.458  170.247   27.385  172.917   27.653  294.365   23.840  296.660   23.887 -2.295013 33.74752 
1 1 1  -20    1    3 o  256.417   16.379  128.944   16.352  117.237   22.686  141.607   23.593  244.273   23.798  268.561   22.511 -24.28821 32.75856 
1 1 1  -20    1    4 o  287.901   16.880  162.665   18.946  152.818   26.326  173.242   27.286  278.848   24.193  296.954   23.546 -18.10587 33.75964 
1 1 1  -20    1    5 f  524.456   26.181  545.852   53.581  549.835   76.214  541.960   75.344  526.328   37.106  522.584   36.945 3.744507 52.36249 
1 1 1  -20    1    6 o  333.217   17.235  217.764   22.371  200.131   30.892  237.205   32.439  319.023   24.814  347.412   23.927 -28.38892 34.47095 
1 1 1  -20    1    7 o  378.123   22.593  291.097   30.835  306.917   37.718  259.220   53.542  395.090   24.464  361.155   37.990 33.93491 45.18505 
1 1 1  -20    1    8 o  261.392   17.604  134.389   17.955  132.095   25.264  136.731   25.523  259.131   24.984  263.654   24.806 -4.523102 35.20705 
1 1 1  -20    1    9 o  290.669   17.309  166.212   19.630  167.421   27.579  164.971   27.948  291.764   24.223  289.574   24.732 2.190521 34.61781 
1 1 1  -20    1   10 o  181.040   22.528   64.259   15.130   72.984   24.988   59.209   19.011  188.851   35.201  173.229   28.122 15.62146 45.05523 
1 1 1  -20    1   11 o  210.760   18.061   87.476   14.850   84.522   20.758   90.572   21.252  207.107   25.683  214.414   25.399 -7.307404 36.12131 
1 1 1  -20    1   12 o  642.992   29.307  829.185   73.532  841.742  104.107  816.685  103.873  647.964   41.172  638.019   41.719 9.945435 58.61388 
1 1 1  -20    1   13 o  283.723   17.996  158.613   19.855  141.032   27.488  177.792   28.710  267.194   26.363  300.252   24.503 -33.05817 35.99139 
1 1 1  -20    1   14 o   99.617   21.778   16.764   10.475   32.964   15.273   2.3732   14.395  126.304   31.175   72.931   30.417 53.37270 43.55517 
1 1 1  -20    1   15 o  119.323   23.727   29.280   11.589   24.903   16.528   33.514   16.255  111.484   34.481  127.162   32.603 -15.67867 47.45418 
1 1 1  -20    1   16 o  119.057   24.113   28.918   12.121   19.723   17.198   37.994   17.087  103.015   35.400  135.098   32.750 -32.08340 48.22570 
1 1 1  -20    1   17 o  369.536   25.104  276.126   36.170  261.654   50.875  290.917   51.434  359.462   36.268  379.609   34.720 -20.14633 50.20774 
1 1 1  -20    1   18 o  179.612   23.238   66.980   15.687   68.447   22.264   65.533   22.105  181.691   32.599  177.533   33.125 4.158188 46.47504 
1 1 1  -20    1   19 o   93.325   23.717   12.863   11.614   24.819   17.137   2.7077   15.794  110.835   35.232   75.815   31.760 35.01920 47.43373 
1 1 1  -20    1   20 o  287.480   19.641  165.957   21.998  153.345   30.638  179.376   31.604  276.013   28.445  298.948   27.090 -22.93518 39.28108 
1 1 1  -20    1   21 o  105.095   25.703   21.072   12.814   20.663   18.804   21.425   17.508  105.089   36.964  105.102   35.723 -0.1345062E-01 51.40501 
1 1 1  -20    1   22 o  217.597   22.581   96.488   19.167   93.592   27.126   99.377   27.086  214.183   32.455  221.010   31.405 -6.826996 45.16169 
1 1 1  -20    1   23 o  265.148   30.245  147.063   26.800  158.810   52.359  142.893   31.197  265.322   52.428  264.974   30.170 0.3486938 60.48913 
1 1 1  -20    1   24 o  290.353   31.039  177.842   30.377  194.993   58.668  171.560   35.507  291.762   53.499  288.944   31.490 2.818329 62.07862 
1 1 1  -20    1   25 o  159.275   28.887   56.010   18.061   64.737   26.684   48.632   24.535  170.681   40.644  147.868   41.058 22.81311 57.77341 
1 1 1  -20    1   26 o  164.124   30.008   60.423   19.420   70.979   28.620   51.415   26.438  177.485   41.979  150.762   42.892 26.72247 60.01630 
1 1 1  -20    1   27 o   86.854   25.344   1.3834   14.629   20.356   22.469 -12.5773   19.274  106.055   39.921   67.652   31.234 38.40244 50.68803 
1 1 1  -20    1   28 f  198.367   31.509   90.283   23.772   88.907   34.560   91.519   32.751  195.962   45.985  200.772   43.090 -4.810562 63.01871 
1 1 1  -20    1   29 o  377.784   22.391  299.539   32.999  291.697   45.976  307.871   47.391  372.735   31.608  382.832   31.722 -10.09680 44.78101 
1 1 1  -20    2    1 o  271.392   16.270  144.387   17.216  137.558   23.778  151.910   24.959  264.659   23.023  278.125   22.997 -13.46576 32.54073 
1 1 1  -20    2    2 o  624.072   19.755  764.229   48.014  719.283   65.421  816.700   70.687  604.304   27.742  643.841   28.134 -39.53748 39.51092 
1 1 1  -20    2    3 o  655.880   20.259  847.906   51.853  853.446   73.215  842.331   73.447  658.062   28.510  653.698   28.792 4.364014 40.51890 
1 1 1  -20    2    4 o  366.485   17.192  262.721   24.506  235.042   33.490  294.624   35.954  345.750   24.821  387.220   23.794 -41.46954 34.38338 
1 1 1  -20    2    5 o  255.111   23.444  128.895   23.303  125.288   33.598  132.238   32.349  251.554   34.225  258.668   32.047 -7.113876 46.88713 
1 1 1  -20    2    6 o  580.849   19.297  664.479   43.738  674.457   62.164  654.698   61.549  585.180   27.222  576.518   27.357 8.662109 38.59360 
1 1 1  -20    2    7 o  402.066   22.257  316.311   32.256  311.312   38.665  327.756   58.499  397.844   24.905  406.289   36.896 -8.445557 44.51499 
1 1 1  -20    2    8 o  316.822   17.341  197.417   21.438  197.569   30.123  197.261   30.516  316.963   24.353  316.681   24.693 0.2822571 34.68200 
1 1 1  -20    2    9 o  217.986   17.881   93.400   15.199   88.745   21.081   98.439   21.933  212.326   25.442  223.646   25.131 -11.31976 35.76111 
1 1 1  -20    2   10 o  197.836   21.967   75.705   16.394   84.053   27.469   71.086   20.432  205.833   34.197  189.839   27.581 15.99364 43.93352 
1 1 1  -20    2   11 o   91.001   21.284   14.729   9.2852   6.3971   13.294   22.664   12.974   76.294   30.162  105.709   30.037 -29.41421 42.56737 
1 1 1  -20    2   12 o  395.469   26.556  312.139   40.877  310.560   55.785  313.970   60.070  394.704   36.217  396.234   38.848 -1.529633 53.11193 
1 1 1  -20    2   13 o  464.068   18.622  425.334   33.697  449.009   48.172  402.648   47.154  476.805   25.889  451.330   26.773 25.47473 37.24301 
1 1 1  -20    2   14 o  360.152   18.201  256.378   25.573  250.785   35.673  262.291   36.680  356.126   25.669  364.178   25.810 -8.051544 36.40125 
1 1 1  -20    2   15 o  468.599   18.847  435.482   34.459  441.451   48.527  429.411   48.940  471.923   26.350  465.275   26.954 6.647949 37.69399 
1 1 1  -20    2   16 o  234.388   19.492  109.682   17.718  123.782   25.100   95.678   25.015  249.743   25.755  219.033   29.265 30.71031 38.98407 
1 1 1  -20    2   17 o  623.492   40.587  795.068   98.754   0.0000   0.0000  795.068   98.754  ?   ?   623.492   40.587      ?      ? 
1 1 1  -20    2   18 o  247.753   20.076  122.925   19.407  119.571   27.248  126.379   27.646  244.279   28.584  251.226   28.200 -6.946014 40.15292 
1 1 1  -20    2   19 o  186.089   23.473   71.208   16.658   78.288   24.014   64.641   23.126  196.827   31.264  175.350   35.022 21.47646 46.94663 
1 1 1  -20    2   20 o  271.245   19.985  147.918   21.129  138.255   29.424  158.207   30.362  261.954   28.783  280.536   27.734 -18.58191 39.97024 
1 1 1  -20    2   21 o  116.658   25.250   27.029   13.900   8.3993   20.433   43.075   18.964   90.883   36.891  142.433   34.486 -51.54997 50.50016 
1 1 1  -20    2   22 o  363.978   19.786  267.159   28.094  257.808   39.219  277.015   40.264  357.380   28.121  370.576   27.843 -13.19550 39.57280 
1 1 1  -20    2   23 o  237.209   40.860  129.348   36.846  120.573   47.306  142.881   58.750  229.417   53.776  245.001   61.532 -15.58475 81.71939 
1 1 1  -20    2   24 o  164.158   28.724   59.251   18.283   61.472   26.576   57.255   25.192  166.933   41.076  161.382   40.161 5.551086 57.44721 
1 1 1  -20    2   25 o   86.689   25.235   6.3105   14.177  -5.9699   22.660   14.209   18.174   79.730   35.627   93.648   35.748 -13.91790 50.46930 
1 1 1  -20    2   26 o  343.432   22.030  245.313   29.454  225.538   41.430  265.522   41.883  328.637   32.305  358.227   29.961 -29.59082 44.05951 
1 1 1  -20    2   27 o  256.942   23.917  138.518   23.882  156.749   34.843  122.363   32.799  273.474   32.649  240.410   34.960 33.06422 47.83474 
1 1 1  -20    2   28 o  129.792   31.692   35.230   19.091   44.224   30.925   29.692   24.267  140.201   47.478  119.383   41.992 20.81770 63.38359 
1 1 1  -20    2   29 o  243.293   26.753  130.255   24.407  107.819   34.697  152.231   34.339  218.094   42.294  268.491   32.774 -50.39697 53.50647 
1 1 1  -20    3    1 o  453.799   17.930  404.845   31.727  427.579   45.348  383.049   44.403  466.334   24.919  441.264   25.786 25.06973 35.85907 
1 1 1  -20    3    2 o  239.592   17.156  113.066   16.004  119.968   22.422  105.897   22.851  247.133   23.250  232.051   25.235 15.08176 34.31228 
1 1 1  -20    3    3 f  620.483   19.796  756.880   47.872  725.638   65.717  792.204   69.879  606.924   27.747  634.042   28.242 -27.11853 39.59140 
1 1 1  -20    3    4 o  565.789   23.425  630.162   48.872  642.623   84.553  623.911   59.889  568.728   38.097  562.849   27.266 5.878967 46.84909 
1 1 1  -20    3    5 f  176.622   20.585   60.011   13.916   54.309   17.717   69.194   22.485  166.049   27.341  187.194   30.779 -21.14461 41.16954 
1 1 1  -20    3    6 o  496.804   18.454  485.840   35.774  490.811   50.440  480.809   50.746  499.397   25.882  494.211   26.312 5.185364 36.90835 
1 1 1  -20    3    7 o  441.692   18.052  383.765   31.104  379.008   43.278  388.847   44.732  438.900   25.268  444.484   25.789 -5.583771 36.10455 
1 1 1  -20    3    8 o  543.472   19.033  581.945   40.363  583.900   56.833  579.956   57.334  544.425   26.751  542.519   27.081 1.906006 38.06535 
1 1 1  -20    3    9 o  494.089   18.529  480.192   35.697  463.763   49.266  498.352   51.796  485.238   26.017  502.940   26.391 -17.70175 37.05874 
1 1 1  -20    3   10 o  247.048   21.703  125.722   19.661  104.336   32.371  138.222   24.748  229.049   36.216  265.047   23.927 -35.99759 43.40586 
1 1 1  -20    3   11 o  417.607   21.337  339.368   33.021  327.301   40.441  363.505   57.199  407.507   25.431  427.708   34.269 -20.20123 42.67460 
1 1 1  -20    3   12 o  316.701   26.838  188.779   32.184  148.162   40.255  260.748   53.583  272.256   37.888  361.147   38.020 -88.89099 53.67563 
1 1 1  -20    3   13 o  415.249   18.495  340.708   29.959  338.324   41.713  343.247   43.055  413.815   25.830  416.683   26.478 -2.868469 36.99052 
1 1 1  -20    3   14 o  549.041   19.546  596.276   41.828  570.355   57.440  625.536   61.029  536.431   27.439  561.651   27.845 -25.22015 39.09243 
1 1 1  -20    3   15 o  232.531   19.636  107.162   17.736   93.641   24.470  122.128   25.744  216.941   28.904  248.121   26.588 -31.17960 39.27239 
1 1 1  -20    3   16 o  219.716   19.857   96.172   17.010   90.777   23.892  101.716   24.222  213.368   28.694  226.063   27.456 -12.69489 39.71394 
1 1 1  -20    3   17 o  213.204   26.511   90.833   21.290  116.205   33.543   73.717   27.551  239.430   35.900  186.979   39.020 52.45180 53.02227 
1 1 1  -20    3   18 o  383.611   19.278  294.152   28.835  289.652   39.854  299.096   41.771  380.683   26.828  386.538   27.692 -5.855377 38.55601 
1 1 1  -20    3   19 o  244.258   20.469  120.040   19.509  120.075   27.423  120.004   27.761  244.342   28.760  244.175   29.134 0.1669312 40.93805 
1 1 1  -20    3   20 o  303.014   19.804  184.541   23.405  178.577   32.436  191.020   33.805  297.948   27.896  308.080   28.118 -10.13181 39.60872 
1 1 1  -20    3   21 o   60.071   18.668  -6.9511   9.5079 -35.0578   17.352   5.1088   11.366   50.823   24.998   69.319   27.732 -18.49620 37.33597 
1 1 1  -20    3   22 o  148.057   25.628   47.376   16.025   23.008   23.569   68.328   21.854  112.727   41.165  183.387   30.537 -70.66028 51.25507 
1 1 1  -20    3   23 o  203.599   34.044   96.144   36.145  177.449   46.839 -23.5664   56.834  289.685   41.433  117.513   54.030 172.1714 68.08759 
1 1 1  -20    3   24 o  135.939   27.343   40.349   16.527   18.389   24.466   58.782   22.415  106.892   41.305  164.986   35.840 -58.09424 54.68627 
1 1 1  -20    3   25 o  279.906   22.885  163.077   24.795  138.411   34.548  189.273   35.605  256.898   34.462  302.914   30.120 -46.01593 45.76931 
1 1 1  -20    3   26 f  324.477   22.717  219.778   28.756  227.161   40.956  212.599   40.385  330.068   31.796  318.887   32.453 11.18085 45.43346 
1 1 1  -20    3   27 o  201.111   28.998   90.120   21.901   94.097   32.692   86.881   29.500  204.383   42.379  197.839   39.592 6.544357 57.99554 
1 1 1  -20    3   28 o  104.880   29.641   12.941   17.152   29.603   31.313   5.7988   20.502  123.504   46.976   86.256   36.162 37.24725 59.28267 
1 1 1  -20    3   29 o  206.985   29.633   98.493   23.421   69.164   33.515  126.485   32.743  170.309   48.237  243.661   34.435 -73.35236 59.26698 
1 1 1  -20    4    1 o  545.234   18.945  585.337   40.303  597.210   56.969  573.440   57.025  550.822   26.503  539.646   27.078 11.17639 37.89007 
1 1 1  -20    4    2 o  302.332   17.220  178.835   20.268  164.393   27.638  195.638   29.811  289.175   24.491  315.489   24.214 -26.31323 34.44052 
1 1 1  -20    4    3 o  557.305   19.085  611.018   41.482  595.516   57.466  627.885   59.942  549.972   26.775  564.639   27.204 -14.66766 38.17014 
1 1 1  -20    4    4 o  484.986   22.661  462.435   40.720  472.939   69.820  457.021   50.128  488.175   36.650  481.797   26.661 6.378113 45.32164 
1 1 1  -20    4    5 o  487.678   21.985  461.112   39.441  444.549   47.924  495.876   69.430  475.284   25.838  500.071   35.578 -24.78659 43.97093 
1 1 1  -20    4    6 o  415.246   17.749  338.638   28.734  326.339   39.585  352.335   41.774  407.316   24.904  423.175   25.296 -15.85873 35.49822 
1 1 1  -20    4    7 o  774.207   22.059  1183.56   66.598  1155.35   92.074  1214.52   96.445  764.649   30.856  783.765   31.533 -19.11572 44.11850 
1 1 1  -20    4    8 o  1020.09   36.909  2068.53  146.930   0.0000   0.0000  2068.53  146.930  ?   ?   1020.09   36.909      ?      ? 
1 1 1  -20    4    9 o  503.701   18.690  499.345   36.703  485.454   50.580  514.793   53.342  496.372   26.112  511.030   26.748 -14.65735 37.38028 
1 1 1  -20    4   10 o  515.899   18.990  524.510   38.203  513.127   52.818  536.999   55.324  510.101   26.534  521.698   27.174 -11.59622 37.98003 
1 1 1  -20    4   11 o  448.112   25.632  396.002   44.823  396.002   44.823   0.0000   0.0000  448.112   25.632  ?   ?       ?      ? 
1 1 1  -20    4   12 o  281.293   23.208  166.098   23.913  125.149   38.005  192.936   30.767  249.899   38.971  312.687   25.214 -62.78816 46.41653 
1 1 1  -20    4   13 o  499.010   19.055  492.954   37.097  502.845   52.252  482.901   52.677  504.160   26.559  493.861   27.333 10.29916 38.11081 
1 1 1  -20    4   14 o  316.155   18.573  197.588   22.891  189.122   31.505  207.055   33.315  309.021   26.125  323.288   26.407 -14.26703 37.14636 
1 1 1  -20    4   15 o  123.755   23.132   30.684   11.549   42.698   17.425   21.271   15.424  143.439   31.949  104.071   33.461 39.36852 46.26419 
1 1 1  -20    4   16 o  478.442   36.584  463.262   68.304   0.0000   0.0000  463.262   68.304  ?   ?   478.442   36.584      ?      ? 
1 1 1  -20    4   17 o   96.893   24.729   16.322   11.877   14.843   18.631   17.334   15.416   96.999   36.383   96.787   33.501 0.2117767 49.45756 
1 1 1  -20    4   18 o  180.040   24.800   68.790   16.888   47.493   24.130   89.236   23.643  149.243   40.429  210.837   28.736 -61.59399 49.60092 
1 1 1  -20    4   19 o  266.793   20.733  143.366   21.043  187.935   30.865  104.659   28.764  306.493   25.806  227.094   32.457 79.39948 41.46577 
1 1 1  -20    4   20 o  571.373   20.727  658.518   46.163  648.081   63.570  670.160   67.144  566.963   28.732  575.783   29.882 -8.819946 41.45468 
1 1 1  -20    4   21 o   90.557   24.304   9.0575   11.357   23.001   20.409   2.8025   13.669  109.985   38.519   71.129   29.650 38.85697 48.60886 
1 1 1  -20    4   22 o  173.321   26.630   65.172   17.491   55.713   25.659   73.383   23.907  160.053   40.922  186.589   34.089 -26.53621 53.26042 
1 1 1  -20    4   23 o  550.585   32.953  637.003   68.883  577.324   86.435  740.871  114.031  520.810   42.528  580.361   50.349 -59.55066 65.90685 
1 1 1  -20    4   24 f  368.715   21.283  278.947   30.569  276.122   41.927  282.152   44.665  367.228   29.257  370.202   30.917 -2.973175 42.56527 
1 1 1  -20    4   25 o  239.609   24.820  120.901   23.204  121.161   33.114  120.650   32.526  239.712   35.398  239.506   34.800 0.2062531 49.63987 
1 1 1  -20    4   26 o  687.172   23.414  990.296   62.723  983.863   86.696  997.362   90.856  685.864   32.392  688.479   33.817 -2.615173 46.82718 
1 1 1  -20    4   27 o  164.035   32.384   54.371   20.573   90.198   37.417   38.848   24.629  195.652   49.088  132.418   42.252 63.23352 64.76810 
1 1 1  -20    4   28 o   98.715   28.242   11.131   15.659   22.036   28.695   6.5074   18.686  113.381   44.475   84.049   34.820 29.33127 56.48449 
1 1 1  -20    4   29 o  201.120   30.450   95.164   23.793   62.947   34.737  123.640   32.657  161.719   49.983  240.520   34.794 -78.80133 60.90042 
1 1 1  -20    5    1 o  617.024   23.737  735.035   53.648  701.981   64.799  807.059   95.653  596.879   27.819  637.170   38.469 -40.29120 47.47407 
1 1 1  -20    5    2 o  228.822   17.102  101.957   15.195   90.111   20.440  116.589   22.717  214.085   24.466  243.558   23.901 -29.47256 34.20319 
1 1 1  -20    5    3 o  482.292   22.788  460.302   40.701  458.609   69.404  461.190   50.248  480.605   37.005  483.978   26.605 -3.373138 45.57649 
1 1 1  -20    5    4 o  440.909   21.317  374.750   34.687  357.152   42.191  411.453   60.932  426.061   25.376  455.757   34.260 -29.69519 42.63382 
1 1 1  -20    5    5 o  310.160   17.138  189.479   20.704  196.391   28.763  182.046   29.826  316.130   23.315  304.191   25.125 11.93832 34.27637 
1 1 1  -20    5    6 o  561.939   19.270  622.047   42.242  614.537   58.802  630.055   60.722  558.490   26.980  565.387   27.521 -6.896790 38.54037 
1 1 1  -20    5    7 o  402.401   17.982  317.553   28.183  298.330   38.448  339.875   41.431  389.306   25.308  415.495   25.552 -26.18863 35.96394 
1 1 1  -20    5    8 o  315.158   21.396  203.721   25.116  166.526   39.753  228.434   32.403  289.595   35.176  340.720   24.370 -51.12463 42.79283 
1 1 1  -20    5    9 o  126.093   21.991   32.530   10.893   41.073   15.696   24.593   15.129  141.630   29.363  110.556   32.745 31.07391 43.98211 
1 1 1  -20    5   10 o  125.717   22.970   32.488   11.565   23.807   16.341   41.200   16.370  109.809   34.338  141.625   30.519 -31.81579 45.94012 
1 1 1  -20    5   11 o  233.895   31.328  101.496   25.355   84.929   29.642  146.669   48.946  202.840   38.862  264.951   49.149 -62.11075 62.65673 
1 1 1  -20    5   12 o  720.987   21.704  1029.89   60.959  993.172   83.294  1072.23   89.454  707.394   30.173  734.579   31.205 -27.18475 43.40724 
1 1 1  -20    5   13 o   96.589   23.134   17.425   10.527   12.012   16.238   21.350   13.827   89.923   33.918  103.255   31.469 -13.33195 46.26807 
1 1 1  -20    5   14 o   91.396   22.716   14.826   9.9276   14.338   15.657   15.154   12.838   92.541   33.588   90.251   30.591 2.289291 45.43124 
1 1 1  -20    5   15 o  486.254   19.230  470.184   36.463  468.727   50.568  471.761   52.627  485.641   26.683  486.866   27.699 -1.224823 38.46047 
1 1 1  -20    5   16 f  278.263   33.447  156.038   36.320   0.0000   0.0000  156.038   36.320  ?   ?   278.263   33.447      ?      ? 
1 1 1  -20    5   17 o  548.955   20.296  603.885   43.425  603.377   59.955  604.446   62.981  549.070   27.981  548.839   29.406 0.2318115 40.59150 
1 1 1  -20    5   18 o  628.608   21.171  794.321   51.832  769.862   70.729  822.693   76.176  618.596   29.300  638.619   30.567 -20.02289 42.34119 
1 1 1  -20    5   19 o  562.467   20.715  637.969   45.407  637.974   62.638  637.964   65.918  562.950   28.513  561.985   30.057 0.9645386 41.42955 
1 1 1  -20    5   20 o  149.693   25.980   49.424   15.606   30.260   23.271   65.086   21.038  122.709   41.188  176.678   31.676 -53.96918 51.95971 
1 1 1  -20    5   21 o  163.639   24.137   52.460   15.316   87.130   24.366   29.812   19.693  207.314   30.118  119.964   37.726 87.34963 48.27364 
1 1 1  -20    5   22 o  290.017   21.654  170.929   24.368  147.702   33.661  196.502   35.320  268.760   32.095  311.275   29.077 -42.51480 43.30756 
1 1 1  -20    5   23 o  183.991   42.785   82.412   34.817   91.606   39.817   52.549   71.762  199.912   50.903  168.071   68.784 31.84134 85.57086 
1 1 1  -20    5   24 f  136.529   25.996   40.321   17.579  -2.4928   27.086   71.479   23.106   90.103   39.675  182.954   33.602 -92.85029 51.99223 
1 1 1  -20    5   25 o  108.346   28.350   22.051   15.477   17.183   27.140   24.398   18.842  107.539   42.911  109.152   37.059 -1.612556 56.69901 
1 1 1  -20    5   26 o  110.382   28.824   23.414   16.294   15.587   27.860   27.484   20.088  106.389   43.115  114.374   38.268 -7.984711 57.64814 
1 1 1  -20    5   27 o  206.279   34.056   97.836   25.621  104.163   45.150   94.831   31.116  206.059   55.087  206.499   40.058 -0.4404907 68.11158 
1 1 1  -20    5   28 o  124.975   30.962   33.796   18.822   23.016   31.548   39.754   23.453  116.716   46.362  133.234   41.052 -16.51801 61.92477 
1 1 1  -20    5   29 o  531.314   23.486  593.402   48.371  545.974   64.052  656.350   73.791  508.040   32.307  554.588   34.096 -46.54861 46.97107 
1 1 1  -20    6    1 o  515.232   23.498  519.037   43.624  509.005   52.238  542.158   79.302  508.464   26.327  522.000   38.930 -13.53629 46.99598 
1 1 1  -20    6    2 o  428.079   26.910  361.993   44.791  337.339   60.286  392.375   66.922  412.029   37.494  444.128   38.612 -32.09885 53.82087 
1 1 1  -20    6    3 o  296.091   23.539  171.552   23.396  169.637   26.877  177.543   47.539  293.793   23.442  298.389   40.826 -4.595612 47.07762 
1 1 1  -20    6    4 o  143.773   27.420   42.063   14.823   42.063   14.823   0.0000   0.0000  143.773   27.420  ?   ?       ?      ? 
1 1 1  -20    6    5 f  185.574   18.405   70.114   12.509   91.743   17.801   49.013   17.583  216.186   21.101  154.961   30.161 61.22470 36.80901 
1 1 1  -20    6    6 o  547.467   24.807  581.786   47.684  565.484   55.944  625.086   91.175  535.681   26.762  559.253   41.777 -23.57227 49.61374 
1 1 1  -20    6    7 o  257.476   18.209  130.856   18.226  134.103   24.907  127.111   26.744  261.043   24.450  253.910   26.990 7.132431 36.41786 
1 1 1  -20    6    8 o  243.197   18.764  116.993   17.749  124.115   24.672  109.353   25.553  251.019   25.186  235.375   27.819 15.64392 37.52706 
1 1 1  -20    6    9 o  230.804   18.016  104.550   16.184   94.808   22.140  115.730   23.716  219.271   25.874  242.337   25.078 -23.06577 36.03290 
1 1 1  -20    6   10 f  452.672   24.874  389.837   38.242  371.992   43.858  446.446   78.114  434.170   25.885  471.174   42.483 -37.00366 49.74792 
1 1 1  -20    6   11 o  268.586   22.950  141.777   23.724  153.645   37.304  133.717   30.742  277.588   34.437  259.585   30.347 18.00351 45.90015 
1 1 1  -20    6   12 o  251.954   19.053  126.204   18.651  133.684   25.739  117.934   27.063  260.056   25.362  243.853   28.439 16.20340 38.10569 
1 1 1  -20    6   13 o  409.434   18.611  332.233   29.717  333.894   41.362  330.460   42.724  410.612   25.813  408.256   26.817 2.355743 37.22148 
1 1 1  -20    6   14 f  326.517   19.142  212.117   24.341  217.269   33.629  206.447   35.277  330.906   26.042  322.127   28.063 8.778351 38.28458 
1 1 1  -20    6   15 o  217.722   27.124   97.083   20.750   99.859   37.414   95.850   24.936  216.393   45.737  219.050   29.171 -2.657410 54.24775 
1 1 1  -20    6   16 o  153.478   24.440   49.353   14.410   62.505   20.795   37.204   19.987  173.758   31.842  133.198   37.085 40.55997 48.87939 
1 1 1  -20    6   17 f  627.904   21.331  793.362   52.198  790.163   71.926  796.921   75.869  627.052   29.394  628.755   30.921 -1.702454 42.66242 
1 1 1  -20    6   18 o  108.313   25.386   23.353   12.495   18.801   20.054   26.242   15.974  103.930   37.969  112.697   33.708 -8.767197 50.77271 
1 1 1  -20    6   19 o   91.613   21.999   12.995   11.424 -12.7367   18.801   28.056   14.384   67.531   31.059  115.696   31.162 -48.16409 43.99710 
1 1 1  -20    6   20 o  278.407   21.097  157.778   22.707  180.882   32.014  134.386   32.212  299.837   27.360  256.978   32.121 42.85843 42.19366 
1 1 1  -20    6   21 o  458.135   20.377  423.699   36.344  412.258   49.464  437.123   53.578  451.853   28.052  464.416   29.563 -12.56274 40.75380 
1 1 1  -20    6   22 o  310.775   42.921  238.935   45.438  259.406   54.052  189.621   83.894  351.609   39.393  269.942   76.269 81.66730 85.84181 
1 1 1  -20    6   23 f  224.752   25.426  107.100   21.541   89.270   30.153  125.685   30.785  202.561   39.564  246.942   31.946 -44.38100 50.85143 
1 1 1  -20    6   24 o  476.586   21.491  466.786   39.859  444.187   53.973  493.896   59.114  464.469   29.778  488.702   30.997 -24.23254 42.98263 
1 1 1  -20    6   25 f  154.050   29.557   49.748   17.847   71.319   29.948   37.869   22.224  177.017   43.632  131.084   39.884 45.93289 59.11435 
1 1 1  -20    6   26 o  293.836   24.031  182.736   27.342  158.991   38.759  206.258   38.577  273.171   36.359  314.501   31.432 -41.33069 48.06169 
1 1 1  -20    6   27 o  314.740   29.618  214.569   35.149  229.614   58.169  205.916   44.113  319.019   46.724  310.461   36.410 8.558167 59.23590 
1 1 1  -20    6   28 o  252.648   28.438  142.493   26.926  126.923   39.900  155.512   36.486  235.007   45.148  270.289   34.591 -35.28148 56.87606 
1 1 1  -20    7    1 o  169.614   36.145   52.738   24.712   40.199   29.838   80.123   44.094  143.399   46.582  195.829   55.280 -52.43024 72.28976 
1 1 1  -20    7    2 o  631.683   28.744  781.654   70.141  696.266   91.608  902.638  109.042  591.059   39.716  672.306   41.562 -81.24701 57.48726 
1 1 1  -20    7    3 o  368.384   51.476  333.177   38.306  341.579   39.859  231.576  138.599  416.687   24.512  320.082   99.991 96.60519 102.9514 
1 1 1  -20    7    4 o  342.936   23.209  195.385   25.843  169.973   28.652  306.233   59.843  293.871   24.985  392.001   39.120 -98.13025 46.41740 
1 1 1  -20    7    5 o  519.788   24.332  524.603   45.062  508.544   53.369  564.482   84.102  507.902   26.926  531.674   40.535 -23.77200 48.66318 
1 1 1  -20    7    6 o  693.955   27.387  877.040   63.598  806.607   71.939  1129.02  136.069  639.061   28.846  748.848   46.562 -109.7863 54.77369 
1 1 1  -20    7    7 o  179.893   34.329   71.118   19.316   74.976   20.541   41.633   56.784  194.942   27.001  164.844   63.126 30.09766 68.65807 
1 1 1  -20    7    8 o  869.283   23.834  1496.42   80.647  1436.23  109.453  1567.91  119.284  850.556   32.976  888.009   34.422 -37.45264 47.66824 
1 1 1  -20    7    9 f  595.005   30.052  702.302   68.987  650.644   89.829  776.578  107.713  569.554   40.416  620.455   44.486 -50.90106 60.10371 
1 1 1  -20    7   10 o  234.527   34.353  102.689   26.442   93.098   29.840  137.760   57.061  215.947   35.409  253.107   58.880 -37.16075 68.70689 
1 1 1  -20    7   11 o  357.159   19.047  251.613   26.463  241.628   35.758  263.702   39.346  349.490   26.219  364.828   27.636 -15.33783 38.09462 
1 1 1  -20    7   12 o  258.697   21.006  134.387   20.736  139.832   26.997  126.552   32.383  265.722   26.035  251.672   32.973 14.05080 42.01207 
1 1 1  -20    7   13 o  461.212   19.127  422.918   34.385  440.919   48.261  404.357   49.004  471.432   26.233  450.992   27.844 20.43967 38.25492 
1 1 1  -20    7   14 o  322.624   18.905  207.323   23.749  212.453   32.778  201.654   34.458  327.068   25.681  318.180   27.751 8.888336 37.81089 
1 1 1  -20    7   15 o  363.869   26.478  270.988   37.161  255.898   55.982  282.874   49.686  353.465   40.586  374.274   34.018 -20.80942 52.95691 
1 1 1  -20    7   16 o  259.141   20.377  134.512   20.581  131.696   28.294  137.675   29.991  256.394   28.278  261.888   29.345 -5.494202 40.75309 
1 1 1  -20    7   17 o  362.378   19.973  262.872   28.134  254.877   37.912  272.672   41.974  356.622   27.242  368.133   29.217 -11.51031 39.94693 
1 1 1  -20    7   18 o  263.850   20.789  140.686   21.361  147.046   29.779  133.945   30.659  270.341   28.227  257.358   30.528 12.98276 41.57750 
1 1 1  -20    7   19 o  194.818   23.512   78.355   17.399   89.275   25.133   68.306   24.111  209.903   30.683  179.734   35.634 30.16902 47.02402 
1 1 1  -20    7   20 o  508.397   20.911  521.027   41.304  501.108   55.463  545.828   61.888  498.169   28.530  518.625   30.579 -20.45627 41.82116 
1 1 1  -20    7   21 o   89.781   24.497   12.134   11.661   6.9414   21.326   14.349   13.927   90.389   37.302   89.173   31.763 1.215935 48.99355 
1 1 1  -20    7   22 o  161.866   42.599   54.628   30.064   58.270   32.253   30.495   83.023  161.344   47.815  162.387   70.517 -1.042374 85.19895 
1 1 1  -20    7   23 o  212.504   27.255  100.059   21.445   59.288   30.106  142.053   30.554  161.923   45.668  263.085   29.761 -101.1616 54.50920 
1 1 1  -20    7   24 o  246.344   23.663  127.126   22.667  125.215   33.294  128.777   30.946  243.840   34.989  248.848   31.866 -5.008209 47.32540 
1 1 1  -20    7   25 f  345.436   21.970  246.719   29.435  287.229   43.304  211.928   40.131  372.502   29.790  318.369   32.301 54.13339 43.94063 
1 1 1  -20    7   26 o  453.736   29.353  448.330   51.241  461.715   79.592  438.855   66.965  455.499   44.776  451.973   37.967 3.525940 58.70588 
1 1 1  -20    7   27 o  287.440   24.922  177.799   27.514  158.837   41.034  193.287   37.086  270.798   38.830  304.082   31.253 -33.28421 49.84490 
1 1 1  -20    7   28 o  146.011   31.834   49.620   19.453   45.461   34.135   51.621   23.674  141.182   49.787  150.840   39.683 -9.657257 63.66732 
1 1 1  -20    8    1 o  729.631   27.348  1040.07   71.044  1010.81   84.164  1112.60  132.508  715.124   30.159  744.138   45.631 -29.01373 54.69640 
1 1 1  -20    8    2 o  602.673   64.748  864.047   72.007  876.267   74.916  715.776  260.957  666.173   28.817  539.172  126.249 127.0011 129.4959 
1 1 1  -20    8    3 o  668.128   29.088  881.750   75.842  881.750   75.842   0.0000   0.0000  668.128   29.088  ?   ?       ?      ? 
1 1 1  -20    8    4 o  370.455   27.121  284.954   33.273  296.357   38.528  251.499   65.991  387.860   25.455  353.049   47.898 34.81140 54.24216 
1 1 1  -20    8    5 o  278.789   25.205  123.086   21.124  108.219   22.864  209.775   55.210  234.389   24.997  323.188   43.775 -88.79956 50.40944 
1 1 1  -20    8    6 o  429.194   27.612  346.619   37.236  332.694   41.390  405.724   85.272  410.761   25.821  447.626   48.816 -36.86545 55.22421 
1 1 1  -20    8    7 o  212.544   34.511  117.442   23.440  131.510   25.550   42.671   58.903  258.240   25.353  166.848   64.197 91.39130 69.02184 
1 1 1  -20    8    8 o  501.650   25.344  453.510   41.933  415.798   47.103  597.550   92.056  458.837   26.306  544.464   43.326 -85.62729 50.68721 
1 1 1  -20    8    9 o  501.998   51.331  516.141  100.558   0.0000   0.0000  516.141  100.558  ?   ?   501.998   51.331      ?      ? 
1 1 1  -20    8   10 o  507.988   47.838  527.035   94.832   0.0000   0.0000  527.035   94.832  ?   ?   507.988   47.838      ?      ? 
1 1 1  -20    8   11 o  173.799   39.687   40.053   16.661   36.698   17.134   98.252   71.361  132.971   33.139  214.627   72.126 -81.65616 79.37421 
1 1 1  -20    8   12 o  424.104   21.911  362.444   34.942  372.421   44.277  345.971   56.892  433.293   26.186  414.914   35.137 18.37961 43.82107 
1 1 1  -20    8   13 o   63.278   18.456   2.7681   6.7965   2.7031   12.734   2.7940   8.0369   69.306   28.731   57.251   23.172 12.05547 36.91125 
1 1 1  -20    8   14 o  240.128   29.495  112.084   25.026  142.128   46.592   99.901   29.669  257.797   48.082  222.460   34.176 35.33682 58.99063 
1 1 1  -20    8   15 o  359.568   21.587  260.352   29.557  261.848   37.970  258.051   47.086  362.079   26.872  357.057   33.793 5.021942 43.17476 
1 1 1  -20    8   16 o   90.917   22.350   13.037   11.240  -7.5094   18.217   25.666   14.283   70.639   31.727  111.194   31.488 -40.55482 44.69972 
1 1 1  -20    8   17 o  264.013   21.261  141.806   21.719  155.222   29.919  126.860   31.579  278.020   27.576  250.005   32.368 28.01547 42.52211 
1 1 1  -20    8   18 o  208.938   23.512   89.828   18.601   76.172   25.603  105.093   27.069  190.018   35.842  227.858   30.442 -37.83990 47.02491 
1 1 1  -20    8   19 o  291.548   21.105  172.285   23.927  175.270   32.690  168.840   35.116  294.763   28.419  288.334   31.209 6.428192 42.20943 
1 1 1  -20    8   20 o  262.122   21.700  139.370   21.882  110.507   30.027  172.057   31.954  232.370   33.113  291.874   28.054 -59.50389 43.39923 
1 1 1  -20    8   21 o  446.017   41.184  471.423   62.005  507.317   75.418  396.555  108.921  491.712   39.304  400.323   72.386 91.38861 82.36817 
1 1 1  -20    8   22 o  146.325   28.041   47.483   16.386   41.946   25.552   51.352   21.356  138.681   42.869  153.969   36.160 -15.28793 56.08286 
1 1 1  -20    8   23 o  102.576   24.895   19.280   14.204 -12.7763   25.122   34.343   17.221   79.160   36.221  125.991   34.164 -46.83067 49.79090 
1 1 1  -20    8   24 o  178.719   28.439   74.148   19.905   48.546   30.635   92.852   26.185  146.322   47.169  211.115   31.784 -64.79308 56.87819 
1 1 1  -20    8   25 o  196.916   28.291   84.378   20.744   98.932   32.650   74.526   26.862  210.467   41.228  183.365   38.753 27.10196 56.58199 
1 1 1  -20    8   26 o  298.384   32.808  196.663   34.429  215.277   61.945  188.343   41.416  299.255   55.073  297.513   35.672 1.741760 65.61636 
1 1 1  -20    8   27 o  105.018   28.239   20.244   15.786   3.4241   31.043   26.110   18.333   99.056   43.068  110.979   36.536 -11.92338 56.47742 
1 1 1  -20    9    1 o  169.079   27.199   56.419   17.946   56.419   17.946   0.0000   0.0000  169.079   27.199  ?   ?       ?      ? 
1 1 1  -20    9    2 o  735.315   30.505  1070.34   87.534  1070.34   87.534   0.0000   0.0000  735.315   30.505  ?   ?       ?      ? 
1 1 1  -20    9    3 o  447.112   28.906  404.770   49.183  422.631   63.815  378.637   77.190  460.819   35.486  433.405   45.639 27.41373 57.81172 
1 1 1  -20    9    4 o  436.424   25.552  311.228   34.594  273.993   37.795  503.514   85.888  372.686   25.987  500.162   44.004 -127.4764 51.10467 
1 1 1  -20    9    5 f  298.613   32.070  160.459   25.299  152.340   27.082  216.101   70.897  277.965   24.967  319.261   59.081 -41.29578 64.13928 
1 1 1  -20    9    6 o  344.138   30.968  147.488   24.806  130.188   25.699  383.517   94.923  256.826   25.641  431.450   56.378 -174.6243 61.93536 
1 1 1  -20    9    7 o  168.489   38.808   50.637   17.781   50.964   18.312   45.243   74.397  157.622   30.875  179.357   71.211 -21.73488 77.61617 
1 1 1  -20    9    8 o  184.163   38.476   44.335   15.805   40.576   16.232  112.933   69.342  140.304   30.515  228.021   70.643 -87.71744 76.95217 
1 1 1  -20    9    9 o  226.548   69.060  112.276   66.586   0.0000   0.0000  112.276   66.586  ?   ?   226.548   69.060      ?      ? 
1 1 1  -20    9   10 o  132.658   37.070   12.485   13.018   10.276   13.301   62.817   63.490   82.223   30.761  183.092   67.456 -100.8695 74.13915 
1 1 1  -20    9   11 o  330.812   63.791  240.741   79.367   0.0000   0.0000  240.741   79.367  ?   ?   330.812   63.791      ?      ? 
1 1 1  -20    9   12 o  334.128   59.763  257.355   46.746  256.920   48.361  263.541  182.384  357.108   34.703  311.148  114.377 45.96002 119.5258 
1 1 1  -20    9   13 o  171.342   43.559   36.693   33.237   15.366   37.751  110.205   70.090  122.280   49.949  220.402   71.378 -98.12202 87.11875 
1 1 1  -20    9   14 o  243.224   60.890   92.610   24.662   91.506   24.804  188.493  231.080  213.502   29.771  272.947  118.086 -59.44522 121.7804 
1 1 1  -20    9   15 o  581.061   58.102  737.525  131.749   0.0000   0.0000  737.525  131.749  ?   ?   581.061   58.102      ?      ? 
1 1 1  -20    9   16 o  152.032   24.522   49.457   14.268   41.212   20.901   56.653   19.525  139.234   37.589  164.831   31.502 -25.59729 49.04417 
1 1 1  -20    9   17 o  240.187   23.666  116.097   20.722   77.096   27.286  169.245   31.853  190.419   38.051  289.954   28.150 -99.53549 47.33167 
1 1 1  -20    9   18 o  119.689   23.222   25.941   11.508   48.105   19.200   13.515   14.376  150.830   33.492   88.548   32.178 62.28139 46.44476 
1 1 1  -20    9   19 o  327.020   21.059  216.808   26.815  217.728   36.783  215.764   39.175  328.188   28.721  325.852   30.807 2.335968 42.11872 
1 1 1  -20    9   20 o  358.456   21.678  262.865   30.160  275.120   41.253  248.795   44.204  368.410   28.694  348.501   32.503 19.90930 43.35669 
1 1 1  -20    9   21 o  253.441   46.684  162.526   39.062  166.075   42.291  141.914  101.929  280.971   38.571  225.911   85.029 55.06018 93.36857 
1 1 1  -20    9   22 o  298.250   22.372  184.267   25.978  193.711   36.257  174.306   37.238  306.823   30.281  289.678   32.941 17.14462 44.74482 
1 1 1  -20    9   23 o   98.501   25.954   17.360   12.540   12.971   24.310   18.952   14.638   99.839   40.339   97.162   32.666 2.677017 51.90708 
1 1 1  -20    9   24 o  290.871   23.483  177.481   26.647  183.307   38.210  171.965   37.181  295.566   33.128  286.176   33.293 9.390564 46.96688 
1 1 1  -20    9   25 o  263.848   36.960  191.205   35.957   87.608   60.109  248.934   44.871  183.729   65.930  343.967   33.428 -160.2379 73.92017 
1 1 1  -20    9   26 o  144.495   29.893   38.538   16.325   72.212   32.790   27.440   18.824  175.506   46.956  113.484   37.006 62.02148 59.78552 
1 1 1  -20    9   27 o  195.682   30.200   87.285   21.870   88.940   35.666   86.288   27.687  193.846   47.516  197.517   37.287 -3.671371 60.39909 
1 1 1  -20   10    1 o  186.881   38.542   60.014   17.386   58.967   17.909   77.155   72.470  172.789   26.560  200.973   72.363 -28.18336 77.08342 
1 1 1  -20   10    2 o  277.167   35.911  169.236   26.860  173.715   29.212  144.730   68.324  296.729   25.228  257.604   67.245 39.12576 71.82160 
1 1 1  -20   10    3 o  513.974   29.407  563.977   49.813  598.232   57.962  467.192   97.427  550.141   26.998  477.807   52.251 72.33344 58.81421 
1 1 1  -20   10    4 o  437.946   27.807  341.802   37.874  316.570   41.695  460.846   90.566  400.185   26.699  475.708   48.786 -75.52271 55.61341 
1 1 1  -20   10    5 o  386.019   34.173  272.217   34.393  262.049   36.591  349.338  100.767  364.181   25.747  407.857   63.311 -43.67606 68.34604 
1 1 1  -20   10    6 o  231.100   41.124   68.765   17.653   64.213   18.011  179.882   88.988  180.237   25.608  281.962   78.160 -101.7252 82.24832 
1 1 1  -20   10    7 o  334.293   42.430  251.202   34.559  255.677   36.911  219.419   98.371  359.388   26.319  309.199   80.675 50.18921 84.85943 
1 1 1  -20   10    8 o  355.985   64.270  276.009   85.998   0.0000   0.0000  276.009   85.998  ?   ?   355.985   64.270      ?      ? 
1 1 1  -20   10    9 o  217.942   76.766  100.744   81.130   0.0000   0.0000  100.744   81.130  ?   ?   217.942   76.766      ?      ? 
1 1 1  -20   10   10 o  245.135   41.731  125.417   26.267  124.817   27.629  131.059   84.730  250.368   28.278  239.902   78.525 10.46628 83.46130 
1 1 1  -20   10   11 o  225.928   41.902   78.456   21.899   72.721   22.651  160.605   85.728  190.614   30.450  261.242   78.077 -70.62750 83.80477 
1 1 1  -20   10   12 o  493.026   58.242  523.008  112.057   0.0000   0.0000  523.008  112.057  ?   ?   493.026   58.242      ?      ? 
1 1 1  -20   10   13 o  230.065   51.879  105.433   26.269  105.785   26.619   92.294  162.601  229.532   29.717  230.598   99.410 -1.065887 103.7571 
1 1 1  -20   10   14 o  378.960   34.658  275.401   36.912  263.143   39.860  349.182   97.792  362.151   28.205  395.769   63.318 -33.61862 69.31595 
1 1 1  -20   10   15 o  550.239   57.205  664.107  122.834   0.0000   0.0000  664.107  122.834  ?   ?   550.239   57.205      ?      ? 
1 1 1  -20   10   16 o  115.303   32.439   22.683   17.569   30.859   17.917 -181.7016   89.581  121.381   35.546  109.225   54.273 12.15654 64.87718 
1 1 1  -20   10   17 o  187.274   40.814   77.037   23.254   79.531   24.030   40.281   92.250  197.981   31.103  176.568   75.471 21.41331 81.62881 
1 1 1  -20   10   18 o  181.213   38.490   79.627   23.625   85.452   24.475   0.1504   90.411  205.171   30.569  157.255   70.651 47.91563 76.98045 
1 1 1  -20   10   19 o  176.607   45.512   46.420   21.268   43.355   21.783  108.999   98.432  141.828   38.410  211.385   82.524 -69.55626 91.02473 
1 1 1  -20   10   20 o  185.104   46.318   68.567   28.657   67.211   29.834   84.740  103.034  174.024   43.926  196.183   81.560 -22.15851 92.63689 
1 1 1  -20   10   21 o  129.575   26.725   35.457   13.911   40.029   23.306   32.926   17.339  135.414   40.763  123.736   34.573 11.67834 53.45039 
1 1 1  -20   10   22 o  264.226   23.665  146.186   24.301  131.578   34.302  160.905   34.432  250.040   35.154  278.412   31.692 -28.37123 47.33021 
1 1 1  -20   10   23 o  363.074   22.411  275.239   31.680  289.382   44.247  260.364   45.378  373.625   30.347  352.523   32.985 21.10199 44.82174 
1 1 1  -20   10   24 o  172.378   28.724   69.662   19.739   44.892   30.999   86.554   25.600  141.372   47.537  203.384   32.255 -62.01155 57.44703 
1 1 1  -20   10   25 o  172.733   31.465   83.703   26.661 -24.5284   58.406  112.192   29.966  114.633   53.419  230.833   33.265 -116.2008 62.92999 
1 1 1  -20   10   26 o  222.277   29.461  114.643   24.180   87.455   37.012  134.887   31.937  191.423   49.260  253.131   32.330 -61.70796 58.92175 
1 1 1  -20   11    1 o  534.702   35.461  507.589   50.731  480.864   54.075  703.887  146.552  492.576   28.131  576.829   65.105 -84.25253 70.92255 
1 1 1  -20   11    2 o  335.434   32.099  195.147   28.364  184.431   30.127  278.744   84.147  305.488   25.271  365.381   59.015 -59.89291 64.19793 
1 1 1  -20   11    3 f  189.826   36.211   55.759   15.812   52.791   16.325  100.770   63.573  163.391   25.603  216.261   67.746 -52.87013 72.42298 
1 1 1  -20   11    4 o  646.544   29.613  812.369   63.372  783.657   72.007  911.002  133.462  628.059   29.379  665.028   51.426 -36.96918 59.22681 
1 1 1  -20   11    5 o  249.933   43.118   73.361   18.203   68.272   18.499  228.740  102.219  185.741   25.522  314.124   82.373 -128.3836 86.23582 
1 1 1  -20   11    6 o  242.477   37.601  177.273   29.819  202.732   32.057   13.811   81.230  319.942   25.676  165.012   70.683 154.9297 75.20225 
1 1 1  -20   11    7 o  281.109   40.142  153.630   32.475  146.306   35.294  194.061   82.923  270.222   33.470  291.995   72.975 -21.77267 80.28472 
1 1 1  -20   11    8 o  414.029   31.090  317.052   37.420  301.233   40.626  405.570   96.101  389.392   26.735  438.667   56.139 -49.27472 62.17991 
1 1 1  -20   11    9 o  411.163   34.483  339.046   40.463  333.394   44.088  369.240  101.899  409.145   27.613  413.181   63.197 -4.036102 68.96656 
1 1 1  -20   11   10 f  201.215   42.061   83.681   23.063   84.850   23.829   66.378   91.715  205.911   29.654  196.519   78.722 9.391708 84.12179 
1 1 1  -20   11   11 o  206.201   51.437   85.413   44.707   78.943   50.299  109.755   97.557  189.790   60.363  222.611   83.303 -32.82074 102.8744 
1 1 1  -20   11   12 o  300.720   58.564  163.260   30.560  158.866   31.019  308.379  178.279  281.573   28.230  319.868  113.675 -38.29425 117.1275 
1 1 1  -20   11   13 o  231.213   52.968  102.035   25.688  101.581   25.995  120.934  167.683  224.628   29.655  237.799  101.700 -13.17096 105.9358 
1 1 1  -20   11   14 o  160.059   38.829   57.219   22.002   63.065   22.491 -72.8483  106.080  173.152   34.496  146.966   69.576 26.18610 77.65821 
1 1 1  -20   11   15 o  252.691   48.187  132.201   28.696  129.752   29.608  170.122  116.517  253.368   29.945  252.014   91.604 1.353958 96.37431 
1 1 1  -20   11   16 o  145.488   44.087   22.080   17.216   21.534   17.437   43.226  108.515  105.200   35.651  185.776   80.646 -80.57588 88.17493 
1 1 1  -20   11   17 o  286.508   46.005  143.999   29.804  134.209   30.960  267.810  110.100  257.040   30.866  315.976   86.679 -58.93652 92.01080 
1 1 1  -20   11   18 f  169.968   39.880   65.316   22.841   69.349   23.525  -1.0915   95.462  181.021   34.562  158.915   71.884 22.10672 79.76083 
1 1 1  -20   11   19 o  402.082   83.378  430.321  126.535   0.0000   0.0000  430.321  126.535  ?   ?   402.082   83.378      ?      ? 
1 1 1  -20   11   20 o  129.471   40.618   16.251   19.973   16.405   20.433   12.934   94.654   99.772   37.948  159.169   71.827 -59.39779 81.23514 
1 1 1  -20   11   21 o  151.199   42.089   34.865   22.459   31.519   23.369   75.286   81.233  122.416   41.274  179.982   73.366 -57.56600 84.17898 
1 1 1  -20   11   22 o  235.276   39.826  154.781   32.322  168.642   35.613   90.015   76.981  284.347   32.095  186.205   72.901 98.14172 79.65280 
1 1 1  -20   11   23 o  340.015   46.348  305.885   58.947  392.511   80.588  206.204   86.448  414.278   49.848  265.751   78.153 148.5271 92.69668 
1 1 1  -20   11   24 o  243.338   53.695  206.323   65.670  230.988   69.821   17.191  193.344  304.026   60.971  182.649   88.403 121.3773 107.3896 
1 1 1  -20   11   25 o  265.892   44.592  172.402   36.022  167.569   39.168  198.907   91.723  280.063   35.838  251.720   81.667 28.34241 89.18476 
1 1 1  -20   11   26 o  169.117   32.065   78.255   32.941  121.953   35.938 -151.5230   82.408  236.200   38.989  102.035   50.917 134.1646 64.13020 
1 1 1  -20   12    1 o  373.576   55.556  314.724   64.427  314.450   71.790  315.855  146.049  391.606   46.977  355.545  100.692 36.06058 111.1116 
1 1 1  -20   12    2 o  311.710   36.629  147.790   28.255  132.596   29.687  294.019   92.093  258.084   29.476  365.336   67.067 -107.2520 73.25890 
1 1 1  -20   12    3 o  367.512   50.771  288.668   38.238  286.721   39.748  312.845  140.086  380.111   26.796  354.913   97.943 25.19775 101.5427 
1 1 1  -20   12    4 o  272.015   50.054   69.517   19.783   64.113   19.988  328.466  138.365  179.495   28.536  364.536   95.954 -185.0410 100.1070 
1 1 1  -20   12    5 o  392.624   40.578  343.801   41.367  350.670   44.979  306.104  105.368  419.959   27.445  365.290   76.374 54.66873 81.15534 
1 1 1  -20   12    6 f  744.802   56.050  1171.90  162.910   0.0000   0.0000  1171.90  162.910  ?   ?   744.802   56.050      ?      ? 
1 1 1  -20   12    7 o  352.859   33.358  191.582   29.910  173.867   31.425  362.067   97.487  295.487   27.253  410.231   60.896 -114.7438 66.71570 
1 1 1  -20   12    8 o  215.275   41.766  109.343   27.351  114.420   28.698   59.044   90.335  238.869   30.786  191.681   77.652 47.18860 83.53185 
1 1 1  -20   12    9 f  284.855   40.698  112.304   25.131  100.750   25.975  281.442   99.381  224.183   29.691  345.527   75.789 -121.3435 81.39683 
1 1 1  -20   12   10 o  259.070   90.788  169.510  113.388   0.0000   0.0000  169.510  113.388  ?   ?   259.070   90.788      ?      ? 
1 1 1  -20   12   11 o  309.975   57.274  245.428   37.940  247.433   38.728  197.618  189.107  351.210   28.257  268.741  111.007 82.46863 114.5473 
1 1 1  -20   12   12 o  152.739   45.262   35.533   19.146   37.802   19.270 -138.6030  168.830  133.688   36.094  171.790   83.017 -38.10213 90.52361 
1 1 1  -20   12   13 f  254.280   58.089  122.878   32.906  120.249   33.412  207.751  189.843  242.431   35.317  266.129  110.680 -23.69777 116.1784 
1 1 1  -20   12   14 o  376.795   52.994  386.389   69.545  452.652   83.784  239.596  124.702  461.931   46.478  291.659   95.253 170.2716 105.9880 
1 1 1  -20   12   15 o  131.237   42.147   13.239   14.835   13.254   14.977   12.481  108.160   88.948   32.764  173.526   77.665 -84.57796 84.29340 
1 1 1  -20   12   16 o  188.377   48.648   39.012   19.872   34.738   20.196  168.764  111.276  128.106   37.804  248.649   89.652 -120.5434 97.29620 
1 1 1  -20   12   17 o  218.080   45.530  103.761   27.316  103.632   28.227  105.661  108.386  225.159   32.125  211.001   85.204 14.15776 91.05936 
1 1 1  -20   12   18 o  218.049   53.270   65.466   23.794   60.400   24.153  232.299  138.606  167.065   37.916  269.034   99.566 -101.9696 106.5407 
1 1 1  -20   12   19 f  135.685   44.424   4.6024   17.721   2.5921   17.956   79.930  109.913   79.179   33.552  192.190   82.270 -113.0110 88.84890 
1 1 1  -20   12   20 o  191.100   39.332   98.572   28.465  107.347   29.788   6.2771   96.609  226.736   33.665  155.463   71.095 71.27325 78.66323 
1 1 1  -20   12   21 o  297.716   43.030  212.815   35.845  210.775   38.953  224.090   91.578  318.437   31.347  276.994   80.148 41.44235 86.06020 
1 1 1  -20   12   22 o  108.696   36.236  -1.4321   18.951  -1.4254   19.525  -1.5413   78.705   77.495   33.914  139.897   64.048 -62.40208 72.47256 
1 1 1  -20   12   23 o  175.006   53.823   60.272   54.196   54.681   58.583   93.453  142.727  158.081   63.056  191.930   87.244 -33.84924 107.6457 
1 1 1  -20   12   24 o  131.253   40.138   21.791   25.453   21.259   26.785   26.742   81.725  110.859   43.112  151.648   67.718 -40.78919 80.27677 
1 1 1  -20   12   25 o  101.612   35.450 -29.1424   22.996 -31.6671   24.030  -1.6927   79.234   65.593   31.603  137.631   63.468 -72.03870 70.90083 
1 1 1  -20   13    1 o  212.179   63.453   99.720   56.609   99.720   56.609   0.0000   0.0000  212.179   63.453  ?   ?       ?      ? 
1 1 1  -20   13    2 o  321.982   50.257  216.216   63.149  216.216   63.149   0.0000   0.0000  321.982   50.257  ?   ?       ?      ? 
1 1 1  -20   13    3 o  159.787   42.019   35.235   16.830   34.341   17.146   58.807   88.070  128.334   33.777  191.240   76.952 -62.90646 84.03871 
1 1 1  -20   13    4 o  240.043   41.099   68.879   21.892   58.668   22.586  227.321   88.970  167.445   35.658  312.641   74.062 -145.1952 82.19855 
1 1 1  -20   13    5 o  223.805   50.756   92.380   26.804   91.828   27.305  107.008  140.584  213.595   32.759  234.016   96.081 -20.42159 101.5121 
1 1 1  -20   13    6 o  327.202   44.619  249.051   35.320  252.833   37.559  220.149  103.840  356.009   27.035  298.394   85.043 57.61447 89.23709 
1 1 1  -20   13    7 o  360.657   46.715  310.181   41.821  316.924   44.859  265.388  115.614  397.742   28.901  323.572   88.848 74.16946 93.43070 
1 1 1  -20   13    8 o  140.109   45.361 -25.2371   48.909 -34.1517   57.073  -0.5895   94.900  115.951   53.609  164.266   73.190 -48.31576 90.72291 
1 1 1  -20   13    9 o  136.089   43.584 -16.1288   48.734   14.999   55.783 -116.4800  100.157  139.630   59.151  132.548   64.026 7.082306 87.16747 
1 1 1  -20   13   10 o  127.786   45.720   2.4096   10.877   2.4284   10.907  -0.9549  146.087   64.184   26.598  191.388   87.486 -127.2038 91.44023 
1 1 1  -20   13   11 o  210.960   50.568   87.118   25.652   87.911   25.961   54.483  166.524  208.215   31.951  213.704   95.957 -5.488342 101.1362 
1 1 1  -20   13   12 o  222.449   42.722  129.432   28.423  136.098   29.468   40.455  107.661  259.770   29.069  185.127   80.346 74.64310 85.44328 
1 1 1  -20   13   13 o  386.752   72.898  323.406   77.611  288.572   81.791  638.375  245.943  360.471   58.143  413.033  133.701 -52.56152 145.7961 
1 1 1  -20   13   14 o  222.844   43.900  121.764   28.047  125.514   29.063   70.937  106.999  248.979   29.912  196.709   82.548 52.27017 87.79999 
1 1 1  -20   13   15 o  184.985   40.393   80.289   23.540   84.538   24.183   3.5693  102.756  204.045   30.371  165.925   74.860 38.12006 80.78632 
1 1 1  -20   13   16 o  326.561   51.319  289.151   65.663  360.064   83.369  173.286  106.567  403.904   52.893  249.219   87.960 154.6849 102.6379 
1 1 1  -20   13   17 o  234.183   46.678  122.683   28.923  121.478   29.945  139.430  111.662  243.432   31.522  224.934   87.872 18.49797 93.35509 
1 1 1  -20   13   18 o  159.813   42.980   45.515   22.834   44.841   23.541   56.237   93.901  142.848   40.415  176.778   75.867 -33.92976 85.96051 
1 1 1  -20   13   19 o  304.187   43.520  270.674   39.817  297.333   44.113  153.463   92.497  380.075   29.742  228.299   81.800 151.7756 87.03922 
1 1 1  -20   13   20 o  128.130   38.688   7.1080   17.756   2.4180   18.347   76.353   70.499   79.257   33.762  177.003   69.622 -97.74568 77.37630 
1 1 1  -20   13   21 o  122.753   34.500   28.241   21.455   36.413   22.416 -61.0500   74.092  128.713   40.213  116.793   56.071 11.91972 69.00024 
1 1 1  -20   13   22 o  222.561   59.676  149.634   64.067  144.872   69.833  174.943  161.006  228.444   70.912  216.678   96.001 11.76534 119.3515 
1 1 1  -20   13   23 o  286.871   49.844  276.590   43.155  284.691   44.436  142.128  181.025  369.474   30.819  204.269   94.805 165.2055 99.68831 
1 1 1  -20   13   24 o  147.812   39.893   48.937   27.029   54.067   28.482   2.4761   85.719  152.576   44.856  143.047   65.983 9.529160 79.78587 
1 1 1  -20   14    1 o  556.219   69.671  673.215   97.318  633.933  103.720  962.291  281.365  550.080   48.318  562.359  130.697 -12.27966 139.3419 
1 1 1  -20   14    2 o  182.744   51.343   19.668   52.807 -25.4542   62.145  136.889  100.163  125.723   57.311  239.765   85.206 -114.0421 102.6865 
1 1 1  -20   14    3 o  216.805   65.352   76.832   94.915 -21.2514  192.213  108.461  109.152  209.959   97.529  223.650   87.015 -13.69092 130.7040 
1 1 1  -20   14    4 o  382.993  118.293  445.383  194.603   0.0000   0.0000  445.383  194.603  ?   ?   382.993  118.293      ?      ? 
1 1 1  -20   14    5 o  336.794   28.988  227.650   38.099  227.650   38.099   0.0000   0.0000  336.794   28.988  ?   ?       ?      ? 
1 1 1  -20   14    6 o  445.248   68.422  404.381   86.491  352.870   93.002  734.084  235.290  401.173   59.406  489.322  123.276 -88.14932 136.8435 
1 1 1  -20   14    7 o  192.143   53.953   70.196   61.645   95.161   76.409   23.649  104.332  205.645   74.268  178.642   78.282 27.00287 107.9059 
1 1 1  -20   14    8 o  135.162   44.634 -40.3630   54.768 -29.2044   65.995 -65.0499   98.161  126.919   58.305  143.406   67.596 -16.48719 89.26768 
1 1 1  -20   14    9 o  303.119   68.940  186.283   70.340  148.331   75.893  417.502  187.327  246.458   73.418  359.780  116.709 -113.3221 137.8806 
1 1 1  -20   14   10 o  290.951  114.456  277.131  190.553   0.0000   0.0000  277.131  190.553  ?   ?   290.951  114.456      ?      ? 
1 1 1  -20   14   11 o  316.319   49.812  205.686   36.250  198.551   37.837  285.444  126.500  312.941   30.983  319.698   94.684 -6.756897 99.62405 
1 1 1  -20   14   12 o  181.380   40.510   73.801   23.886   77.690   24.648   13.872   96.749  195.333   32.336  167.428   74.288 27.90483 81.02000 
1 1 1  -20   14   13 o  150.024   48.333   23.577   16.439   24.059   16.512 -31.0142  175.704  108.701   34.586  191.347   90.268 -82.64577 96.66666 
1 1 1  -20   14   14 o  151.702   37.167   52.334   22.136   59.458   22.753 -73.5402   95.644  166.891   35.995  136.513   65.037 30.37842 74.33360 
1 1 1  -20   14   15 o  354.790   44.175  270.117   39.670  261.825   42.425  327.811  111.907  358.440   30.330  351.141   82.981 7.298828 88.35064 
1 1 1  -20   14   16 o  409.473   48.990  392.532   49.022  387.535   52.450  427.058  137.855  434.903   30.904  384.042   92.979 50.86096 97.98000 
1 1 1  -20   14   17 o  126.878   38.860   20.928   18.577   22.640   18.944 -22.0886   94.946  107.060   37.132  146.696   68.277 -39.63567 77.72030 
1 1 1  -20   14   18 o  185.555   40.424   81.713   25.777   83.306   27.293   68.547   78.444  195.819   37.073  175.292   71.848 20.52786 80.84873 
1 1 1  -20   14   19 o  157.567   40.129   30.608   19.747   22.646   20.639  116.758   67.887  107.750   38.636  207.383   70.345 -99.63372 80.25703 
1 1 1  -20   14   20 f  178.316   43.105   78.510   26.126   82.279   26.552 -35.9859  146.342  194.270   36.360  162.361   78.167 31.90846 86.20965 
1 1 1  -20   14   21 o  153.411   50.655   9.3081   59.252   7.7032   64.965   17.247  144.490  134.340   60.155  172.482   81.518 -38.14168 101.3099 
1 1 1  -20   14   22 o  111.760   41.569 -21.5379   19.821 -21.1619   20.000 -42.3057  148.651   63.376   30.063  160.145   77.512 -96.76822 83.13747 
1 1 1  -20   14   23 o  179.998   39.720   91.194   30.381  101.431   31.967  -4.4116   97.691  213.046   39.916  146.950   68.682 66.09573 79.43905 
1 1 1  -20   15    1 o  214.468   57.836   92.712   62.554   71.105   74.612  143.832  114.761  188.207   72.291  240.728   90.298 -52.52086 115.6711 
1 1 1  -20   15    2 o  421.168   97.941  665.057  189.261  623.395  291.935  695.262  248.575  389.412  144.422  452.924  132.333 -63.51273 195.8822 
1 1 1  -20   15    3 o  415.054   68.577  335.498   85.966  263.927   93.374  733.613  220.222  331.391   74.065  498.717  115.437 -167.3268 137.1549 
1 1 1  -20   15    4 o  306.334   64.692  155.877   73.825   78.566   81.836  493.792  171.091  195.060   75.496  417.608  105.073 -222.5484 129.3834 
1 1 1  -20   15    5 o  480.114   56.561  504.503  105.972  504.503  105.972   0.0000   0.0000  480.114   56.561  ?   ?       ?      ? 
1 1 1  -20   15    6 o  274.750   53.222  143.884   30.704  139.266   31.434  239.842  143.286  262.407   30.697  287.093  101.922 -24.68607 106.4445 
1 1 1  -20   15    7 o  250.681   53.098  110.847   26.166  107.535   26.592  211.838  146.839  230.813   29.522  270.549  102.010 -39.73579 106.1962 
1 1 1  -20   15    8 o  398.588   67.881  450.348   89.015  456.991   97.839  418.422  214.479  457.034   54.857  340.142  124.185 116.8922 135.7611 
1 1 1  -20   15    9 o  131.312   43.019   16.326   13.199   17.092   13.255 -72.9688  143.100   93.654   31.078  168.971   80.229 -75.31658 86.03786 
1 1 1  -20   15   10 o  166.503   45.415   36.571   18.151   35.036   18.424   87.248  105.860  128.573   35.535  204.433   83.590 -75.86066 90.82973 
1 1 1  -20   15   11 o  434.519   41.791  445.211   51.576  460.542   57.734  384.622  114.771  476.035   31.078  393.003   77.589 83.03238 83.58196 
1 1 1  -20   15   12 o  107.517   31.740   16.882   14.719   21.492   15.027 -92.1949   73.089  103.098   33.015  111.937   54.220 -8.839516 63.48082 
1 1 1  -20   15   13 o  127.496   36.601   23.195   15.840   23.848   16.241   10.449   71.760  107.930   34.297  147.061   64.670 -39.13093 73.20203 
1 1 1  -20   15   14 o  225.773   41.770  130.618   30.183  136.670   32.138   85.370   87.874  258.106   31.907  193.440   77.206 64.66629 83.53950 
1 1 1  -20   15   15 o  175.906   40.127   71.442   23.238   74.258   24.048   31.750   90.278  186.715   34.267  165.097   72.571 21.61850 80.25387 
1 1 1  -20   15   16 o  250.504   40.643  192.648   40.214  229.454   45.067   48.845   89.081  331.064   34.883  169.944   73.420 161.1201 81.28599 
1 1 1  -20   15   17 o  174.535   35.569   83.647   26.634   96.859   28.142 -29.8240   82.475  215.175   33.514  133.895   62.748 81.27998 71.13734 
1 1 1  -20   15   18 o  175.999   37.600   84.444   28.362   96.714   30.453   4.2123   77.873  209.896   38.602  142.103   64.536 67.79372 75.19954 
1 1 1  -20   15   19 o  287.237   38.854  276.345   42.414  349.810   48.749   47.513   86.038  410.459   30.435  164.014   71.499 246.4459 77.70726 
1 1 1  -20   15   20 o  174.552   53.755   62.707   72.349  101.181   81.664 -77.6723  155.989  191.529   75.058  157.575   76.971 33.95374 107.5092 
1 1 1  -20   15   21 o  319.556   54.919  347.423   49.859  352.229   51.292  265.026  212.389  409.856   32.069  229.255  105.051 180.6012 109.8374 
1 1 1  -20   15   22 o  143.308   43.210   32.085   24.830   31.573   25.543   40.855  105.760  122.028   43.064  164.589   74.925 -42.56026 86.41969 
1 1 1  -20   16    1 o  225.433   69.018   87.916   98.749  182.330  196.313   55.934  114.256  256.349  109.848  194.518   83.589 61.83112 138.0352 
1 1 1  -20   16    2 o  259.430   62.694  182.908   79.670  220.885  102.564  125.133  126.505  290.343   85.053  228.516   92.130 61.82736 125.3877 
1 1 1  -20   16    3 o  236.950   63.453  134.317   77.431  105.199   95.695  189.529  131.772  213.163   81.872  260.738   96.964 -47.57492 126.9057 
1 1 1  -20   16    4 o  490.118   57.176  530.596  109.357  530.596  109.357   0.0000   0.0000  490.118   57.176  ?   ?       ?      ? 
1 1 1  -20   16    5 o  308.167   77.365  237.623   92.901  237.623   92.901   0.0000   0.0000  308.167   77.365  ?   ?       ?      ? 
1 1 1  -20   16    6 o  222.384   60.419  122.075   74.202  143.770   87.137   64.838  141.534  238.221   79.702  206.547   90.826 31.67429 120.8382 
1 1 1  -20   16    7 o  207.793   59.135   95.257   74.722  123.364   87.629   20.359  143.043  223.143   79.654  192.442   87.424 30.70152 118.2696 
1 1 1  -20   16    8 o  403.920  142.210  700.229  278.393   0.0000   0.0000  700.229  278.393  ?   ?   403.920  142.210      ?      ? 
1 1 1  -20   16    9 o  131.726   47.011   4.7658   11.131   4.7135   11.159   15.320  158.385   68.167   27.405  195.286   89.939 -127.1191 94.02147 
1 1 1  -20   16   10 o  261.833   48.368  215.683   38.995  226.903   39.689 -96.6015  209.384  334.070   30.444  189.595   91.821 144.4756 96.73621 
1 1 1  -20   16   11 o  283.066   52.413  251.608   46.436  262.827   47.524   14.985  218.256  357.309   34.083  208.823   99.131 148.4860 104.8264 
1 1 1  -20   16   12 o  253.834   53.417  170.680   35.778  173.307   36.261   74.084  219.886  290.664   31.968  217.005  101.939 73.65935 106.8337 
1 1 1  -20   16   13 o  149.089   41.010   36.016   17.506   36.143   17.806   32.346   95.793  129.672   34.560  168.505   74.383 -38.83345 82.02002 
1 1 1  -20   16   14 f  189.527   91.270 -19.2990   3.6423 -19.3021   3.6429 -10.1192  199.845  ?   ?   189.527   91.270      ?      ? 
1 1 1  -20   16   15 o  203.582   36.147  128.615   32.860  154.382   35.118 -52.6451   93.143  272.139   33.068  135.025   64.288 137.1142 72.29419 
1 1 1  -20   16   16 o  295.433   45.532  236.116   39.242  243.859   42.683  193.816   99.760  342.181   31.964  248.686   85.269 93.49507 91.06360 
1 1 1  -20   16   17 o  180.248   43.185   66.393   23.247   64.477   24.005   95.295   93.232  171.222   37.006  189.275   78.040 -18.05255 86.36924 
1 1 1  -20   16   18 o  246.945   36.640  212.990   40.738  265.217   44.587 -50.8982  100.224  356.150   32.081  137.739   65.885 218.4110 73.28017 
1 1 1  -20   16   19 o  275.318   67.173  309.580   98.011  321.984  106.750  242.990  247.337  328.454   83.192  222.183  105.489 106.2713 134.3464 
1 1 1  -20   16   20 f  152.672   45.625   43.689   26.608   46.575   26.905 -84.6623  179.420  142.969   43.956  162.376   79.966 -19.40642 91.25047 
1 1 1  -20   16   21 o  211.308   40.999  137.065   35.137  150.416   36.955   11.325  113.411  264.927   35.745  157.689   73.798 107.2373 81.99884 
1 1 1  -20   17    1 o  331.832   99.194  320.033  138.362  320.033  138.362   0.0000   0.0000  331.832   99.194  ?   ?       ?      ? 
1 1 1  -20   17    2 o  294.951   73.246  211.430   97.352  126.313  113.853  442.883  187.746  225.536   88.552  364.366  116.698 -138.8304 146.4919 
1 1 1  -20   17    3 o  298.423   66.969  259.222   87.833  272.733  106.731  230.874  154.600  322.677   83.957  274.169  104.358 48.50867 133.9376 
1 1 1  -20   17    4 o  225.124   62.831  125.444   79.466  126.906   97.568  122.563  136.961  224.518   83.448  225.731   93.955 -1.212112 125.6625 
1 1 1  -20   17    5 o  370.641   74.974  338.972  104.716  338.972  104.716   0.0000   0.0000  370.641   74.974  ?   ?       ?      ? 
1 1 1  -20   17    6 o  286.391   70.586  229.320   87.256  208.981   99.011  300.041  184.630  279.257   84.009  293.525  113.455 -14.26785 141.1726 
1 1 1  -20   17    7 o  164.212   54.586 -35.5209   78.815 -50.1238   92.518   3.1162  150.490  140.661   66.091  187.762   86.895 -47.10071 109.1729 
1 1 1  -20   17    8 o  320.757   71.334  317.365   94.033  313.034  104.920  335.047  211.989  348.704   78.940  292.811  118.838 55.89267 142.6671 
1 1 1  -20   17    9 o  282.281   52.485  240.474   41.556  247.722   42.481   79.459  200.224  348.079   31.274  216.484  100.202 131.5945 104.9691 
1 1 1  -20   17   10 o  147.182   42.796   37.151   18.134   39.633   18.227 -203.4717  179.447  135.906   34.351  158.457   78.397 -22.55081 85.59251 
1 1 1  -20   17   11 o  211.772   33.722   92.960   27.868   92.960   27.868   0.0000   0.0000  211.772   33.722  ?   ?       ?      ? 
1 1 1  -20   17   12 o  349.060   30.866  250.998   42.046  250.998   42.046   0.0000   0.0000  349.060   30.866  ?   ?       ?      ? 
1 1 1  -20   17   13 o  142.719   48.577   16.769   14.839   16.658   14.885   34.548  188.753   93.510   32.888  191.928   91.418 -98.41720 97.15371 
1 1 1  -20   17   14 o  224.446   53.132  113.954   30.645  112.698   31.005  167.112  201.691  231.598   34.306  217.295  100.574 14.30283 106.2642 
1 1 1  -20   17   15 o  176.197   49.756   57.181   23.390   57.258   23.555   51.780  197.890  160.724   38.131  191.670   91.917 -30.94612 99.51251 
1 1 1  -20   17   16 o  176.191   44.863   61.135   22.556   60.083   23.012   86.888  113.897  165.247   36.645  187.135   81.902 -21.88712 89.72675 
1 1 1  -20   17   17 o  172.695   52.910   63.122   64.203   70.807   77.515   46.333  114.577  173.177   71.252  172.214   78.238 0.9624786 105.8207 
1 1 1  -20   17   18 o  126.823   45.024 -118.4174   70.452 -95.6426   76.634 -242.7256  179.038  109.581   53.616  144.065   72.345 -34.48408 90.04740 
1 1 1  -20   17   19 o  241.822   38.022  205.994   40.285  243.978   43.206 -46.8112  111.463  340.483   32.517  143.161   68.742 197.3220 76.04459 
1 1 1  -20   17   20 o  200.142   37.999  127.511   36.234  150.781   38.229 -78.1461  113.649  264.123   37.090  136.161   66.332 127.9623 75.99704 
1 1 1  -20   18    1 o  136.718   46.306 -104.9606   68.553  -5.7709  107.579 -172.7764   88.953  164.355   75.108  109.081   54.181 55.27304 92.61114 
1 1 1  -20   18    2 o  228.572   65.894  109.322   95.227   17.638  122.659  248.421  151.083  179.497   81.312  277.648  103.713 -98.15164 131.7875 
1 1 1  -20   18    3 o  234.367   66.181  153.680   94.153  185.558  117.242   95.781  158.005  253.569   91.931  215.165   95.227 38.40395 132.3617 
1 1 1  -20   18    4 o  221.498   65.673   71.239   90.576 -11.9214  107.640  272.954  167.642  161.630   74.329  281.366  108.290 -119.7355 131.3456 
1 1 1  -20   18    5 o  233.950   86.926  151.413  105.855  151.413  105.855   0.0000   0.0000  233.950   86.926  ?   ?       ?      ? 
1 1 1  -20   18    6 o  202.588   61.391   88.965   85.399  104.727  102.683   53.604  153.799  206.600   83.106  198.576   90.380 8.024094 122.7813 
1 1 1  -20   18    7 o  206.508   59.434   98.756   85.410  168.020  103.093 -52.8229  152.509  242.044   86.397  170.973   81.640 71.07069 118.8681 
1 1 1  -20   18    8 o  215.008   64.902  116.469   86.851  105.081   99.232  153.755  179.557  203.469   81.750  226.546  100.826 -23.07631 129.8038 
1 1 1  -20   18    9 o  168.027   72.811   43.111   88.139   43.111   88.139   0.0000   0.0000  168.027   72.811  ?   ?       ?      ? 
1 1 1  -20   18   10 o  238.365   34.844  118.988   32.412  118.988   32.412   0.0000   0.0000  238.365   34.844  ?   ?       ?      ? 
1 1 1  -20   18   11 f  181.767   56.174   28.139   17.059   25.957   17.136  270.793  180.705  111.039   35.223  252.495  106.685 -141.4550 112.3489 
1 1 1  -20   18   12 o  204.919   95.690  114.427  188.951   0.0000   0.0000  114.427  188.951  ?   ?   204.919   95.690      ?      ? 
1 1 1  -20   18   13 o  132.930   45.744   13.914   13.599   13.995   13.639   0.4084  176.324   87.280   31.397  178.580   85.931 -91.29968 91.48702 
1 1 1  -20   18   14 o  157.682   46.126   43.559   20.074   44.619   20.182 -54.5708  194.190  142.270   36.248  173.094   84.831 -30.82368 92.25122 
1 1 1  -20   18   15 o  194.159   48.264   89.562   27.950   91.069   28.228   14.026  199.861  204.307   36.756  184.011   89.257 20.29633 96.52871 
1 1 1  -20   18   16 o  156.072   52.164   3.4005   72.354   19.122   79.416 -73.3873  175.514  147.976   66.367  164.169   80.496 -16.19298 104.3275 
1 1 1  -20   18   17 o  205.210   53.068   82.532   27.898   78.981   28.291  207.935  168.134  187.855   39.827  222.565   98.381 -34.70969 106.1365 
1 1 1  -20   18   18 o  269.841   48.187  247.008   44.107  256.827   45.556  100.001  176.272  348.207   33.526  191.475   90.354 156.7323 96.37328 
1 1 1  -20   18   19 o  224.037   48.439  140.387   35.014  141.322   35.773  119.046  170.939  256.261   35.772  191.812   90.032 64.44832 96.87843 
1 1 1  -20   19    1 o  233.783   65.914  159.930   89.225  125.621  115.651  210.380  140.243  215.080   87.591  252.485   98.522 -37.40533 131.8282 
1 1 1  -20   19    2 o  152.152   50.132 -41.6193   71.469   42.646  112.714 -98.2777   92.424  179.089   79.781  125.215   60.728 53.87400 100.2644 
1 1 1  -20   19    3 o  228.467   66.837  149.562   94.327  109.389  118.913  217.741  154.912  206.738   86.903  250.195  101.571 -43.45641 133.6745 
1 1 1  -20   19    4 o  183.152   58.625   44.040   88.426   42.224  113.121   46.893  141.783  177.915   79.543  188.388   86.143 -10.47261 117.2507 
1 1 1  -20   19    5 o  195.732   62.248   65.739   90.353   35.008  106.821  143.006  169.381  172.159   77.109  219.305   97.742 -47.14613 124.4958 
1 1 1  -20   19    6 o  169.349   54.439   24.577   75.916   15.798   95.080   40.019  126.094  159.018   71.852  179.681   81.802 -20.66321 108.8775 
1 1 1  -20   19    7 o  266.589   84.185  212.024   97.969  212.024   97.969   0.0000   0.0000  266.589   84.185  ?   ?       ?      ? 
1 1 1  -20   19    8 o  159.680   70.481   32.358   85.985   32.358   85.985   0.0000   0.0000  159.680   70.481  ?   ?       ?      ? 
1 1 1  -20   19    9 o  192.548   55.933   99.278   70.375  127.629   77.812 -28.1310  164.954  213.107   75.167  171.989   82.849 41.11853 111.8662 
1 1 1  -20   19   10 o  209.878   68.858  139.687  135.087   93.909  187.971  188.584  194.269  199.157   93.773  220.599  100.858 -21.44145 137.7160 
1 1 1  -20   19   11 o  291.062   65.202  328.171   92.920  344.934  101.890  245.347  226.479  353.965   76.031  228.160  105.945 125.8055 130.4033 
1 1 1  -20   19   12 o  163.523   55.329   18.848   15.399   17.565   15.441  254.283  209.182   95.237   33.495  231.809  105.467 -136.5720 110.6583 
1 1 1  -20   19   13 o  153.956   48.805   31.449   17.806   31.440   17.873   32.646  205.228  120.242   35.585  187.670   90.892 -67.42745 97.61015 
1 1 1  -20   19   14 o  168.984   56.985   0.2243   71.517 -26.5787   77.529  153.223  185.231  129.635   60.779  208.333   96.411 -78.69768 113.9700 
1 1 1  -20   19   15 o  165.109   50.834   44.207   68.482   96.826   77.177 -150.6224  148.506  187.787   73.139  142.430   70.619 45.35649 101.6678 
1 1 1  -20   19   16 o  113.134   41.092  -4.3710   14.541  -4.4411   14.630   1.3353  132.072   64.044   28.621  162.223   77.040 -98.17877 82.18449 
1 1 1  -20   19   17 o  204.201   45.185  114.803   32.375  118.287   33.114   39.334  154.117  234.406   36.200  173.995   82.802 60.41136 90.36919 
1 1 1  -20   20    1 o  151.675   49.936 -18.6059   64.793 -49.6034   77.519   53.251  118.026  124.118   58.966  179.231   80.605 -55.11308 99.87106 
1 1 1  -20   20    2 o  174.189   54.123   48.012   66.571   25.758   80.865   94.809  117.265  154.128   68.174  194.251   84.079 -40.12355 108.2451 
1 1 1  -20   20    3 o  212.577   56.328  133.385   70.581  181.785   87.131   41.010  120.372  249.782   79.447  175.371   79.873 74.41125 112.6563 
1 1 1  -20   20    4 o  132.969   62.336 -29.7593   81.514 -29.7593   81.514   0.0000   0.0000  132.969   62.336  ?   ?       ?      ? 
1 1 1  -20   20    5 o  221.053   78.132  142.294   84.114  142.294   84.114   0.0000   0.0000  221.053   78.132  ?   ?       ?      ? 
1 1 1  -20   20    6 o  187.927   52.805   88.541   63.682  137.926   81.290   10.085  102.459  218.440   76.852  157.414   72.438 61.02606 105.6104 
1 1 1  -20   20    7 o  168.004   50.701   53.986   55.959   42.312   68.668   77.065   96.551  154.973   65.638  181.034   77.291 -26.06129 101.4012 
1 1 1  -20   20    8 o  170.742   57.018 -15.0379   72.381  181.854  170.370 -58.4028   79.956  219.185   97.832  122.298   58.590 96.88679 114.0351 
1 1 1  -20   20    9 o  185.338   60.121   69.991   95.176   60.181  172.842   74.260  114.019  188.383   89.071  182.292   80.776 6.091537 120.2428 
1 1 1  -20   20   10 o  147.192   48.405  -0.8706   63.535   21.936   72.429 -77.0043  132.333  145.856   64.517  148.528   72.179 -2.671890 96.81084 
1 1 1  -20   20   11 f  158.730   51.585   25.137   66.113   45.707   71.997 -85.5066  166.978  157.401   66.961  160.060   78.488 -2.658844 103.1701 
1 1 1  -20   20   12 o  206.118   95.923  146.207  187.324   0.0000   0.0000  146.207  187.324  ?   ?   206.118   95.923      ?      ? 
1 1 1  -20   20   13 o  161.525   53.742   9.6598   61.749  -7.4078   66.932  107.242  160.042  128.382   58.882  194.669   89.921 -66.28635 107.4845 
1 1 1  -20   20   14 o  219.355   98.397  210.885  174.643   0.0000   0.0000  210.885  174.643  ?   ?   219.355   98.397      ?      ? 
1 1 1  -20   20   15 o  175.082   38.330   86.650   27.657   95.778   28.172 -156.4121  145.378  212.102   34.036  138.062   68.690 74.03955 76.65985 
1 1 1  -20   21    1 o  206.221  100.716  121.545  266.738  121.545  266.738   0.0000   0.0000  206.221  100.716  ?   ?       ?      ? 
1 1 1  -20   21    2 o  177.540   71.249   77.925   75.281   77.925   75.281   0.0000   0.0000  177.540   71.249  ?   ?       ?      ? 
1 1 1  -20   21    3 o  145.191   46.932   3.0637   59.916   35.408   70.360 -82.2772  114.290  151.616   65.377  138.765   67.352 12.85170 93.86449 
1 1 1  -20   21    4 o  147.065   46.841   3.2685   61.163   56.206   74.318 -107.8428  107.669  164.379   68.879  129.751   63.500 34.62799 93.68281 
1 1 1  -20   21    5 f  190.028   53.184   94.865   66.815  149.230   81.669 -15.1740  116.190  225.006   77.151  155.050   73.224 69.95612 106.3679 
1 1 1  -20   21    6 f  140.186   48.756 -86.2362   79.165 -98.3554  160.793 -82.3586   90.952  156.294   76.718  124.078   60.192 32.21671 97.51237 
1 1 1  -20   21    7 o  136.331   48.129 -104.5543   73.900 -89.1219  172.253 -108.0355   81.812  161.315   79.227  111.346   54.669 49.96936 96.25818 
1 1 1  -20   21    8 o   92.180   32.662 -152.3588   46.427 -210.0827   61.801 -77.5838   70.339   75.662   38.493  108.698   52.777 -33.03568 65.32327 
1 1 1  -20   21    9 o  173.066   52.830   49.867   56.198   23.937   64.398  132.680  115.086  141.601   61.790  204.531   85.709 -62.93025 105.6597 
1 1 1  -20   21   10 o  203.184   59.534   94.467   62.878   59.980   69.934  239.958  143.641  163.868   67.580  242.500   98.030 -78.63141 119.0671 
1 1 1  -20   21   11 o  186.397   56.319   84.861   60.557   74.712   66.512  134.048  146.424  172.073   67.643  200.722   90.064 -28.64964 112.6371 
1 1 1  -20   21   12 o  168.057   56.976   9.2192  104.593   9.2474  174.063   9.2032  130.850  173.278   83.870  162.836   77.142 10.44179 113.9522 
1 1 1  -20   21   13 o  171.955   53.665   66.296   59.901   64.577   65.426   75.204  148.935  163.231   66.099  180.680   84.561 -17.44891 107.3294 
1 1 1  -20   22    1 o  182.848   62.429   22.086  105.709  171.188  239.655 -13.9305  117.787  210.372  100.957  155.324   73.467 55.04785 124.8588 
1 1 1  -20   22    2 o  213.238   67.817  166.636  131.549 -31.3230  239.180  252.490  157.512  182.976   90.525  243.501  101.005 -60.52505 135.6345 
1 1 1  -20   22    3 o  187.739   62.347   60.596  122.180 -77.3176  201.055  141.347  153.845  169.991   83.894  205.488   92.252 -35.49681 124.6940 
1 1 1  -20   22    4 o  200.177   66.001  103.940  133.035 -46.7632  198.292  227.300  179.403  173.120   85.021  227.233  100.975 -54.11238 132.0022 
1 1 1  -20   22    5 o  165.247   56.769 -33.4746  110.606 -17.9228  186.948 -41.8500  137.193  174.447   85.003  156.048   75.267 18.39989 113.5373 
1 1 1  -20   22    6 o  151.795   50.433  -3.4401   73.960   26.811   85.264 -95.3751  148.641  153.115   68.713  150.476   73.842 2.638565 100.8665 
1 1 1  -20   22    7 o  175.642   53.818   73.565   65.509   89.645   72.394   0.8812  153.914  182.469   70.900  168.815   80.985 13.65443 107.6356 
1 1 1  -20   22    8 o  176.797   50.927   82.377   60.162  113.098   65.690 -77.4476  149.831  200.914   69.176  152.680   74.761 48.23369 101.8549 
1 1 1  -20   22    9 o  145.408   48.740   2.7438   53.018   1.7397   56.795   9.5484  147.852  123.662   55.736  167.155   79.973 -43.49292 97.47903 
1 1 1  -20   22   10 o  180.564   57.833   31.072   55.270   0.4333   58.669  272.736  164.770  124.039   56.208  237.090  101.090 -113.0502 115.6656 
1 1 1  -20   23    1 o  164.912   56.701 -29.3517  114.902   21.593  170.104 -72.1030  155.826  174.746   84.166  155.077   76.000 19.66904 113.4011 
1 1 1  -20   23    2 o  153.561   53.174 -80.8173  109.363 -185.2473  171.251  -8.8965  142.117  145.080   72.550  162.043   77.759 -16.96350 106.3477 
1 1 1  -20   23    3 o  219.941   72.298  243.853  148.812  335.491  222.701  169.928  200.025  235.523  107.794  204.358   96.377 31.16542 144.5964 
1 1 1  -20   23    5 o  413.259   71.715  897.885  153.663  941.941  171.300  716.390  347.689  573.886   76.489  252.631  121.333 321.2552 143.4308 
1 1 1  -19    0    1 o  180.247   31.329   74.310   26.987   74.310   26.987   74.310   26.987  180.247   44.307  180.247   44.307 -0.000000 0.000000 
1 1 1  -19    0    2 o  426.668   17.640  360.071   41.211  360.071   41.211  360.071   41.211  426.668   24.946  426.668   24.946 0.000000 0.000000 
1 1 1  -19    0    3 o  303.136   17.194  183.325   28.339  183.325   28.339  183.325   28.339  303.136   24.316  303.136   24.316 0.000000 0.000000 
1 1 1  -19    0    4 o   67.825   23.727   13.284   10.681   13.284   10.681   13.284   10.681   67.825   33.556   67.825   33.556 -0.000000 0.000000 
1 1 1  -19    0    5 o  983.541   25.220  1908.90  136.488  1908.90  136.488  1908.90  136.488  983.541   35.667  983.541   35.667 -0.000000 0.000000 
1 1 1  -19    0    7 o  258.336   17.826  134.380   24.859  134.380   24.859  134.380   24.859  258.336   25.209  258.336   25.209 0.000000 0.000000 
1 1 1  -19    0    8 o  171.039   20.171   61.875   17.448   61.875   17.448   61.875   17.448  171.039   28.526  171.039   28.526 -0.000000 0.000000 
1 1 1  -19    0    9 f   75.714   27.454   16.521   14.570   16.521   14.570   16.521   14.570   75.714   38.826   75.714   38.826 -0.000000 0.000000 
1 1 1  -19    0   10 o  383.791   17.660  292.164   37.042  292.164   37.042  292.164   37.042  383.791   24.975  383.791   24.975 0.000000 0.000000 
1 1 1  -19    0   11 o  100.545   27.534   27.119   14.523   27.119   14.523   27.119   14.523  100.545   38.938  100.545   38.938 -0.000000 0.000000 
1 1 1  -19    0   12 o  403.884   17.881  323.398   39.498  323.398   39.498  323.398   39.498  403.884   25.288  403.884   25.288 -0.000000 0.000000 
1 1 1  -19    0   13 o  253.063   29.888  136.338   38.241  136.338   38.241  136.338   38.241  253.063   42.268  253.063   42.268 0.000000 0.000000 
1 1 1  -19    0   14 o  499.578   18.862  493.896   51.665  493.896   51.665  493.896   51.665  499.578   26.675  499.578   26.675 0.000000 0.000000 
1 1 1  -19    0   15 o  550.028   19.511  598.770   58.887  598.770   58.887  598.770   58.887  550.028   27.593  550.028   27.593 0.000000 0.000000 
1 1 1  -19    0   16 o  137.481   28.572   45.721   18.837   45.721   18.837   45.721   18.837  137.481   40.407  137.481   40.407 0.000000 0.000000 
1 1 1  -19    0   17 o  308.536   19.122  191.529   31.984  191.529   31.984  191.529   31.984  308.536   27.042  308.536   27.042 -0.000000 0.000000 
1 1 1  -19    0   18 o  552.367   27.618  616.146   83.225  616.146   83.225  616.146   83.225  552.367   39.058  552.367   39.058 -0.000000 0.000000 
1 1 1  -19    0   19 o   53.963   23.871   3.5045   14.628   3.5045   14.628   3.5045   14.628   53.963   33.758   53.963   33.758 0.000000 0.000000 
1 1 1  -19    0   20 o   66.609   27.419   10.941   16.634   10.941   16.634   10.941   16.634   66.609   38.776   66.609   38.776 0.000000 0.000000 
1 1 1  -19    0   21 o  583.312   20.482  679.347   65.566  679.347   65.566  679.347   65.566  583.312   28.966  583.312   28.966 -0.000000 0.000000 
1 1 1  -19    0   22 o  238.984   22.282  119.153   27.967  119.153   27.967  119.153   27.967  238.984   31.511  238.984   31.511 -0.000000 0.000000 
1 1 1  -19    0   23 o  398.842   20.163  320.396   43.860  320.396   43.860  320.396   43.860  398.842   28.515  398.842   28.515 0.000000 0.000000 
1 1 1  -19    0   24 o  108.438   34.897   34.853   22.634   34.853   22.634   34.853   22.634  108.438   49.351  108.438   49.351 0.000000 0.000000 
1 1 1  -19    0   25 o  226.733   52.026  138.780   57.576  138.780   57.576  138.780   57.576  226.733   73.576  226.733   73.576 0.000000 0.000000 
1 1 1  -19    0   26 o  286.053   23.560  171.098   35.876  171.098   35.876  171.098   35.876  286.053   33.319  286.053   33.319 0.000000 0.000000 
1 1 1  -19    0   27 o   39.785   19.904 -21.4333   17.940 -21.4333   17.940 -21.4333   17.940   39.785   28.149   39.785   28.149 -0.000000 0.000000 
1 1 1  -19    0   28 o  182.784   34.476   81.622   30.050   81.622   30.050   81.622   30.050  182.784   48.756  182.784   48.756 -0.000000 0.000000 
1 1 1  -19    0   29 o   88.695   36.120   22.770   28.389   22.770   28.389   22.770   28.389   88.695   51.081   88.695   51.081 -0.000000 0.000000 
1 1 1  -19    0   30 o  124.672   40.127   48.452   29.928   48.452   29.928   48.452   29.928  124.672   56.747  124.672   56.747 -0.000000 0.000000 
1 1 1  -19    1    1 o  427.406   25.033  361.250   41.738  352.009   58.104  371.102   59.994  421.780   35.301  433.033   35.502 -11.25317 50.06557 
1 1 1  -19    1    2 f  386.697   17.181  293.702   25.926  290.998   36.441  296.474   36.892  384.899   24.261  388.495   24.334 -3.596222 34.36188 
1 1 1  -19    1    3 o  390.642   17.181  299.686   26.188  293.409   36.699  306.199   37.380  386.471   24.334  394.813   24.261 -8.341492 34.36196 
1 1 1  -19    1    4 f  612.165   19.577  737.299   46.755  721.016   65.174  754.565   67.112  605.223   27.595  619.107   27.778 -13.88446 39.15487 
1 1 1  -19    1    5 f  788.889   22.087  1228.16   67.995  1221.58   95.674  1234.88   96.653  786.775   31.161  791.002   31.312 -4.226807 44.17484 
1 1 1  -19    1    6 o  571.159   38.175  647.577   85.088   0.0000   0.0000  647.577   85.088  ?   ?   571.159   38.175      ?      ? 
1 1 1  -19    1    7 o  519.674   18.557  531.327   37.632  537.887   53.360  524.836   53.082  522.880   26.150  516.467   26.337 6.413025 37.11460 
1 1 1  -19    1    8 f  858.143   23.257  1455.04   77.846  1424.48  108.070  1487.99  112.229  848.877   32.623  867.409   33.155 -18.53131 46.51386 
1 1 1  -19    1    9 o  303.884   20.856  180.994   23.735  186.283   39.832  178.082   29.555  306.858   33.263  300.911   25.169 5.947113 41.71193 
1 1 1  -19    1   10 f  429.800   17.735  362.676   29.718  344.755   41.035  382.440   43.095  418.651   25.117  440.949   25.044 -22.29800 35.46926 
1 1 1  -19    1   11 o  514.113   18.661  520.206   37.429  507.915   52.183  533.227   53.714  507.874   26.330  520.353   26.452 -12.47894 37.32236 
1 1 1  -19    1   12 o  339.916   17.411  227.265   23.090  220.882   32.327  233.913   32.992  335.033   24.726  344.799   24.519 -9.765350 34.82178 
1 1 1  -19    1   13 o  591.283   28.281  697.698   65.217  678.505   90.336  718.590   94.249  582.895   39.713  599.671   40.275 -16.77582 56.56147 
1 1 1  -19    1   14 o  408.388   18.042  328.879   28.753  329.774   40.544  327.973   40.784  408.966   25.404  407.811   25.627 1.155731 36.08480 
1 1 1  -19    1   15 o  313.097   18.223  192.988   22.203  173.735   30.560  214.512   32.313  296.516   26.411  329.679   25.116 -33.16315 36.44633 
1 1 1  -19    1   16 o  553.577   19.519  607.399   42.165  610.429   59.533  604.349   59.729  554.999   27.487  552.156   27.720 2.842957 39.03783 
1 1 1  -19    1   17 o  283.258   18.504  159.102   20.452  160.777   28.828  157.405   29.020  284.798   25.938  281.717   26.397 3.081604 37.00803 
1 1 1  -19    1   18 o  238.385   25.038  114.142   23.215  127.920   33.978  102.079   31.793  252.006   34.550  224.764   36.248 27.24211 50.07611 
1 1 1  -19    1   19 f  287.276   19.054  164.654   21.361  164.530   30.163  164.779   30.256  287.175   26.915  287.378   26.979 -0.2027283 38.10846 
1 1 1  -19    1   20 o  382.874   19.038  292.920   28.412  273.667   39.489  313.583   40.909  369.688   27.372  396.060   26.468 -26.37253 38.07667 
1 1 1  -19    1   21 o   79.543   22.652   5.7530   11.094  -1.6226   16.640   11.654   14.884   72.678   31.565   86.409   32.498 -13.73073 45.30453 
1 1 1  -19    1   22 o   63.285   19.704  -5.9403   9.6112   3.6642   14.753 -13.0231   12.669   74.652   30.934   51.918   24.414 22.73393 39.40779 
1 1 1  -19    1   23 o  318.287   20.195  204.470   25.055  191.487   35.012  218.099   35.871  307.710   29.157  328.865   27.951 -21.15518 40.39022 
1 1 1  -19    1   24 o  308.148   20.679  192.691   24.788  173.414   34.630  212.944   35.496  291.863   30.404  324.432   28.037 -32.56931 41.35807 
1 1 1  -19    1   25 o  521.472   33.274  591.345   67.601  557.813   92.488  629.807   99.052  505.894   46.849  537.051   47.263 -31.15695 66.54728 
1 1 1  -19    1   26 o  240.487   23.683  120.419   22.204  127.897   32.072  113.536   30.771  247.796   33.167  233.178   33.816 14.61736 47.36649 
1 1 1  -19    1   27 o  307.560   22.503  197.160   27.001  193.328   38.326  200.936   38.045  304.314   32.273  310.806   31.367 -6.492279 45.00500 
1 1 1  -19    1   28 o  343.774   22.861  247.215   30.657  238.326   42.823  256.560   43.908  337.291   32.534  350.257   32.124 -12.96619 45.72116 
1 1 1  -19    1   29 o  482.887   28.916  509.573   54.470  491.509   76.459  528.189   77.617  473.591   41.371  492.183   40.411 -18.59180 57.83233 
1 1 1  -19    1   30 o  173.533   31.787   69.407   21.934   87.098   32.384   54.412   29.814  194.489   43.730  152.577   46.145 41.91183 63.57368 
1 1 1  -19    2    1 o  788.863   31.512  1239.51   96.894  1197.51  133.148  1286.80  141.271  774.890   44.032  802.837   45.091 -27.94745 63.02388 
1 1 1  -19    2    2 o  763.494   21.663  1148.74   64.514  1120.98   89.585  1178.64   92.983  753.971   30.447  773.016   30.824 -19.04547 43.32597 
1 1 1  -19    2    3 o  958.621   24.785  1818.30   92.711  1803.58  130.134  1833.46  132.115  954.730   34.928  962.512   35.173 -7.782166 49.56969 
1 1 1  -19    2    4 o  534.208   18.641  560.783   38.842  542.471   53.918  580.537   56.001  525.160   26.309  543.255   26.416 -18.09552 37.28244 
1 1 1  -19    2    5 o  174.644   17.108   60.043   11.626   65.156   16.425   54.907   16.459  182.164   23.105  167.123   25.237 15.04053 34.21589 
1 1 1  -19    2    6 o  519.368   36.722  534.834   74.427   0.0000   0.0000  534.834   74.427  ?   ?   519.368   36.722      ?      ? 
1 1 1  -19    2    7 o  119.152   21.273   29.073   9.9614   24.117   14.036   34.103   14.140  109.247   31.310  129.057   28.806 -19.80914 42.54529 
1 1 1  -19    2    8 o  410.369   17.528  331.122   28.067  334.978   39.603  327.230   39.784  412.796   24.584  407.943   24.991 4.852661 35.05606 
1 1 1  -19    2    9 o  307.131   21.083  189.364   23.996  175.263   40.048  197.262   29.973  297.478   34.498  316.785   24.246 -19.30731 42.16580 
1 1 1  -19    2   10 o  314.002   17.300  193.320   21.156  177.064   29.141  211.436   30.763  300.043   24.888  327.962   24.037 -27.91907 34.60059 
1 1 1  -19    2   11 o  174.674   19.370   60.981   12.795   51.256   17.731   71.548   18.483  158.643   29.732  190.704   24.836 -32.06064 38.74086 
1 1 1  -19    2   12 o  394.871   17.718  306.879   27.287  320.954   38.879  293.216   38.306  403.846   24.670  385.897   25.437 17.94897 35.43541 
1 1 1  -19    2   13 o  204.295   30.238   85.676   23.184   78.711   30.718   94.894   35.338  194.790   41.671  213.800   43.827 -19.00983 60.47546 
1 1 1  -19    2   14 o  140.143   23.026   40.518   12.354   41.418   17.503   39.625   17.440  141.724   32.358  138.563   32.767 3.161774 46.05161 
1 1 1  -19    2   15 o  437.407   18.509  378.108   31.588  380.372   44.362  375.780   44.990  438.791   25.907  436.022   26.441 2.768738 37.01743 
1 1 1  -19    2   16 o  138.469   23.739   39.894   12.730   35.361   18.194   44.240   17.817  130.680   34.984  146.258   32.097 -15.57826 47.47702 
1 1 1  -19    2   17 o  275.238   18.790  150.370   20.175  152.336   28.277  148.331   28.794  277.145   26.145  273.332   26.995 3.813232 37.58051 
1 1 1  -19    2   18 o  220.612   26.314   99.968   22.072   99.189   32.608  100.626   29.986  217.743   39.844  223.481   34.383 -5.737381 52.62780 
1 1 1  -19    2   19 o  265.166   19.752  140.660   20.424  145.695   28.757  135.535   29.014  270.104   27.282  260.228   28.571 9.876434 39.50454 
1 1 1  -19    2   20 o   96.167   24.843   15.620   12.030   17.253   18.489   14.421   15.843  100.020   36.470   92.314   33.744 7.706451 49.68591 
1 1 1  -19    2   21 o  293.951   20.074  174.072   22.990  184.133   32.393  163.861   32.634  302.821   27.412  285.081   29.334 17.74017 40.14825 
1 1 1  -19    2   22 o  184.331   23.997   71.289   16.620   71.925   23.864   70.689   23.160  185.016   34.316  183.647   33.553 1.369095 47.99356 
1 1 1  -19    2   23 o  167.242   25.686   59.982   16.263   54.844   23.819   64.468   22.258  159.597   38.655  174.886   33.837 -15.28911 51.37280 
1 1 1  -19    2   24 o  172.976   27.019   63.951   17.765   75.874   26.251   53.878   24.129  188.406   37.024  157.546   39.360 30.86032 54.03721 
1 1 1  -19    2   25 o  192.136   37.045   89.342   26.734   95.920   29.859   62.756   60.029  214.456   35.678  169.816   64.934 44.63985 74.09026 
1 1 1  -19    2   26 o  100.195   27.556   15.705   15.509   10.380   24.145   19.446   20.235   97.145   39.844  103.245   38.076 -6.099617 55.11170 
1 1 1  -19    2   27 o  168.503   30.175   65.521   20.102   52.151   30.029   76.377   27.059  150.975   46.441  186.032   38.540 -35.05658 60.34987 
1 1 1  -19    2   28 o  173.749   30.368   69.648   20.588   58.932   30.672   78.434   27.774  159.501   46.452  187.997   39.131 -28.49600 60.73671 
1 1 1  -19    2   29 o  470.028   29.003  483.741   53.155  472.379   75.970  494.639   74.400  463.364   42.013  476.692   39.995 -13.32770 58.00594 
1 1 1  -19    2   30 o  285.303   26.231  174.707   29.058  200.256   42.722  152.714   39.638  305.521   35.833  265.086   38.317 40.43509 52.46132 
1 1 1  -19    3    1 o  679.505   25.148  926.595   63.755  869.152  105.236  959.904   80.136  661.095   40.791  697.916   29.423 -36.82086 50.29571 
1 1 1  -19    3    2 f  346.412   16.917  235.650   22.866  232.443   32.032  238.983   32.653  344.016   23.860  348.809   23.988 -4.793884 33.83423 
1 1 1  -19    3    3 o  162.282   17.664   51.744   11.184   50.444   15.672   53.094   15.966  160.202   25.068  164.363   24.892 -4.161331 35.32750 
1 1 1  -19    3    4 o  665.998   20.324  872.568   52.778  841.797   72.829  906.602   76.593  653.694   28.549  678.301   28.936 -24.60754 40.64892 
1 1 1  -19    3    5 o  478.987   22.230  453.105   39.263  452.436   67.589  453.446   48.236  477.799   36.249  480.175   25.742 -2.376099 44.45966 
1 1 1  -19    3    6 o  268.659   23.376  141.994   24.444  153.187   36.169  132.583   33.165  278.331   33.300  258.987   32.815 19.34360 46.75131 
1 1 1  -19    3    7 o  534.872   18.780  562.289   39.170  542.032   54.166  584.493   56.711  524.808   26.448  544.937   26.668 -20.12946 37.55918 
1 1 1  -19    3    8 o  571.014   19.232  641.749   42.840  629.928   59.608  654.378   61.612  565.615   27.005  576.413   27.390 -10.79761 38.46457 
1 1 1  -19    3    9 o  683.717   20.677  920.921   55.127  892.883   76.197  951.715   79.855  672.866   29.019  694.567   29.462 -21.70074 41.35301 
1 1 1  -19    3   10 o  789.007   22.218  1229.42   68.373  1202.51   94.811  1258.58   98.693  780.106   31.144  797.907   31.696 -17.80121 44.43610 
1 1 1  -19    3   11 o  232.132   17.865  106.068   16.165  106.335   22.353  105.774   23.405  232.488   24.638  231.776   25.876 0.7119141 35.72954 
1 1 1  -19    3   12 o  172.623   19.483   58.798   13.119   59.694   18.389   57.869   18.722  173.994   27.083  171.252   28.014 2.741760 38.96511 
1 1 1  -19    3   13 o  122.492   30.975   25.818   17.923   25.747   21.782   25.965   31.536  117.452   39.847  127.532   47.433 -10.07940 61.94912 
1 1 1  -19    3   14 o   87.797   22.125   12.056   9.5907   18.753   14.926   7.3473   12.516   99.483   32.978   76.111   29.506 23.37206 44.25086 
1 1 1  -19    3   15 o  213.622   19.740   90.555   16.387  100.603   23.276   80.681   23.074  225.557   26.444  201.687   29.316 23.86952 39.48093 
1 1 1  -19    3   16 o  487.317   19.097  470.875   36.305  479.942   51.042  461.591   51.649  492.188   26.575  482.447   27.434 9.741180 38.19434 
1 1 1  -19    3   17 o  409.987   18.497  333.647   29.577  346.682   41.866  320.659   41.790  418.113   25.659  401.861   26.648 16.25244 36.99300 
1 1 1  -19    3   18 o  209.693   28.376   94.767   22.269   66.491   32.817  118.901   30.318  176.030   46.920  243.355   31.925 -67.32501 56.75120 
1 1 1  -19    3   19 o  176.126   23.736   64.550   15.713   68.571   22.546   60.752   21.911  181.743   33.005  170.508   34.120 11.23532 47.47126 
1 1 1  -19    3   20 o  215.684   21.455   93.989   17.982   84.157   25.373  103.912   25.489  203.965   31.877  227.403   28.723 -23.43806 42.90911 
1 1 1  -19    3   21 o  244.937   20.698  121.011   19.779  124.086   27.984  117.942   27.958  248.147   28.898  241.727   29.638 6.419434 41.39518 
1 1 1  -19    3   22 o  222.303   21.570  100.229   18.663   91.793   26.305  108.779   26.482  212.542   31.715  232.065   29.243 -19.52359 43.13919 
1 1 1  -19    3   23 o  149.267   27.306   47.982   15.986   47.791   23.695   48.142   21.658  148.753   39.966  149.781   37.218 -1.027451 54.61198 
1 1 1  -19    3   24 o  176.510   42.210   63.105   33.573   43.067   41.234  102.517   57.827  146.943   54.321  206.076   64.621 -59.13348 84.41942 
1 1 1  -19    3   25 o  107.035   28.022   20.581   15.419   20.380   23.653   20.730   20.333  108.447   40.929  105.622   38.286 2.824295 56.04467 
1 1 1  -19    3   26 o   90.318   26.402   7.7513   14.800   8.6536   23.960   7.1947   18.819   95.042   39.406   85.593   35.149 9.449127 52.80461 
1 1 1  -19    3   27 o  294.083   23.000  180.925   26.363  180.213   38.170  181.575   36.455  293.004   33.382  295.162   31.649 -2.158936 46.00054 
1 1 1  -19    3   28 o  107.230   27.539   18.496   17.204 -11.1685   27.373   37.865   22.118   83.630   38.089  130.831   39.785 -47.20140 55.07810 
1 1 1  -19    3   29 o  322.843   29.515  229.228   36.873  228.244   55.558  230.003   49.294  319.713   44.530  325.973   38.751 -6.259705 59.02988 
1 1 1  -19    3   30 o  200.898   30.100   88.888   23.374  123.587   35.805   63.120   30.855  238.195   38.520  163.602   46.264 74.59300 60.20059 
1 1 1  -19    4    1 o  283.650   20.537  163.525   21.563  141.236   35.309  176.782   27.230  267.250   33.856  300.050   23.255 -32.79901 41.07316 
1 1 1  -19    4    2 o  421.657   17.541  349.451   28.858  350.588   40.465  348.275   41.166  422.387   24.549  420.928   25.061 1.458374 35.08155 
1 1 1  -19    4    3 o  256.699   16.719  129.127   16.729  122.713   23.009  136.319   24.365  249.956   23.589  263.441   23.700 -13.48508 33.43873 
1 1 1  -19    4    4 o  747.288   21.586  1098.10   62.814  1048.23   85.457  1156.71   92.640  729.026   30.038  765.550   31.009 -36.52405 43.17273 
1 1 1  -19    4    5 f  451.494   26.202  400.589   45.923  367.963   61.239  442.512   69.417  430.810   36.426  472.179   37.673 -41.36905 52.40306 
1 1 1  -19    4    6 o  269.392   20.219  149.451   20.144  169.432   25.884  118.764   32.077  293.759   22.579  245.025   33.547 48.73425 40.43801 
1 1 1  -19    4    7 o  617.268   19.926  748.022   47.883  712.496   65.015  790.135   70.787  601.413   27.702  633.124   28.650 -31.71136 39.85260 
1 1 1  -19    4    8 o  592.226   19.570  690.659   45.211  679.981   62.894  702.076   65.035  587.542   27.431  596.910   27.920 -9.368164 39.14024 
1 1 1  -19    4    9 o  306.923   17.581  184.853   21.023  178.160   28.761  192.532   30.808  301.008   24.484  312.838   25.235 -11.83020 35.16110 
1 1 1  -19    4   10 o  216.545   20.545   94.763   16.667  101.805   21.307   83.659   26.756  227.546   23.995  205.543   33.357 22.00333 41.09012 
1 1 1  -19    4   11 o  438.834   18.238  378.895   31.198  372.270   42.966  386.284   45.373  434.853   25.319  442.814   26.257 -7.961548 36.47591 
1 1 1  -19    4   12 o  223.531   26.928   99.556   19.369   97.989   22.099  104.749   40.234  223.034   25.390  224.029   47.495 -0.9945679 53.85561 
1 1 1  -19    4   13 o  122.780   31.585   23.809   17.731   21.429   20.612   30.580   34.773  109.935   38.697  135.624   49.929 -25.68963 63.16932 
1 1 1  -19    4   14 o  155.260   23.442   49.922   13.804   59.031   19.554   40.873   19.489  170.044   30.593  140.476   35.528 29.56837 46.88473 
1 1 1  -19    4   15 o  674.699   21.016  904.005   55.326  902.033   77.545  906.050   78.959  674.045   29.481  675.354   29.960 -1.308777 42.03215 
1 1 1  -19    4   16 o  436.875   18.788  378.177   32.009  372.766   44.318  384.079   46.281  433.709   26.185  440.040   26.951 -6.330933 37.57690 
1 1 1  -19    4   17 o  307.239   22.487  185.120   25.639  201.676   44.403  176.839   31.403  316.231   35.982  298.247   26.982 17.98349 44.97418 
1 1 1  -19    4   18 o  370.183   21.695  271.251   30.328  261.032   38.041  289.075   50.241  361.892   26.937  378.474   34.017 -16.58237 43.39034 
1 1 1  -19    4   19 o  379.125   19.601  288.085   28.956  298.539   40.376  277.015   41.548  386.539   26.767  371.712   28.643 14.82660 39.20283 
1 1 1  -19    4   20 o  318.474   20.165  204.183   25.020  213.437   35.005  194.518   35.776  326.190   27.500  310.758   29.501 15.43164 40.33012 
1 1 1  -19    4   21 o  282.560   20.818  161.791   22.687  192.214   32.447  132.693   31.733  309.443   26.870  255.677   31.804 53.76663 41.63510 
1 1 1  -19    4   22 o  137.400   26.105   41.450   14.749   27.187   22.712   51.852   19.396  117.897   40.671  156.903   32.736 -39.00523 52.20908 
1 1 1  -19    4   23 o  673.528   22.155  923.886   58.210  958.053   82.796  890.492   81.855  686.211   30.919  660.844   31.741 25.36664 44.31052 
1 1 1  -19    4   24 o  225.428   44.010  100.001   36.454   71.532   42.005  186.855   73.368  176.598   55.027  274.258   68.698 -97.65997 88.01914 
1 1 1  -19    4   25 o  349.834   21.316  251.366   29.069  254.068   40.329  248.444   41.936  352.250   29.338  347.418   30.932 4.831970 42.63222 
1 1 1  -19    4   26 o  295.949   23.245  183.009   26.779  197.106   37.885  168.934   37.856  308.138   31.506  283.760   34.187 24.37802 46.49024 
1 1 1  -19    4   27 o  497.243   22.052  514.008   42.740  502.261   58.781  527.186   62.256  491.773   30.630  502.712   31.734 -10.93912 44.10489 
1 1 1  -19    4   28 o   54.247   18.362 -17.5448   10.565 -68.2532   24.785  -6.2848   11.679   53.751   26.982   54.744   24.912 -0.9932632 36.72379 
1 1 1  -19    4   29 o  150.965   33.731   54.852   22.656   36.405   39.985   63.575   27.496  135.074   52.634  166.856   42.199 -31.78244 67.46198 
1 1 1  -19    4   30 f  127.581   27.411   30.511   20.302 -29.6188   32.653   68.405   25.921   81.018   38.426  174.144   39.101 -93.12617 54.82183 
1 1 1  -19    5    1 o  592.982   23.162  705.112   51.213  732.079   64.360  658.564   84.557  609.865   27.043  576.100   37.611 33.76434 46.32407 
1 1 1  -19    5    2 o  940.640   30.911  1702.05  102.204  1623.14  119.552  1916.28  196.995  905.857   33.819  975.423   51.752 -69.56567 61.82272 
1 1 1  -19    5    3 o  346.751   17.621  236.845   23.795  248.984   33.233  224.075   34.086  355.988   23.923  337.514   25.879 18.47391 35.24253 
1 1 1  -19    5    4 o  498.611   22.717  490.065   41.807  494.733   72.020  487.693   51.344  499.395   36.955  497.827   26.429 1.567505 45.43306 
1 1 1  -19    5    5 o  424.777   24.946  354.768   41.352  354.768   41.352   0.0000   0.0000  424.777   24.946  ?   ?       ?      ? 
1 1 1  -19    5    6 o  262.182   17.088  134.801   17.450  130.496   23.816  139.792   25.641  257.710   23.681  266.655   24.641 -8.944519 34.17543 
1 1 1  -19    5    7 o  686.498   25.678  948.120   66.725  875.587  105.905  995.864   85.923  662.890   40.940  710.106   31.007 -47.21625 51.35620 
1 1 1  -19    5    8 o  483.911   26.585  461.074   50.204   0.0000   0.0000  461.074   50.204  ?   ?   483.911   26.585      ?      ? 
1 1 1  -19    5    9 o  703.144   21.092  974.020   57.792  939.912   79.180  1012.91   84.544  690.115   29.401  716.174   30.250 -26.05835 42.18413 
1 1 1  -19    5   10 o  384.832   20.798  287.781   29.806  277.451   36.701  307.796   51.085  375.471   25.048  394.194   33.209 -18.72348 41.59577 
1 1 1  -19    5   11 o   55.382   16.628   0.3457   6.1715  -4.1292   10.553   2.6717   7.6083   54.812   24.415   55.951   22.581 -1.139328 33.25689 
1 1 1  -19    5   12 o  378.170   26.959  286.773   39.319  295.800   52.303  275.042   59.625  385.756   34.744  370.584   41.230 15.17169 53.91720 
1 1 1  -19    5   13 o  388.376   22.422  306.644   32.543  271.124   52.526  328.774   41.459  368.610   36.515  408.143   26.030 -39.53232 44.84358 
1 1 1  -19    5   14 f  272.753   18.901  146.735   20.089  136.774   27.663  157.850   29.220  262.954   26.958  282.553   26.501 -19.59894 37.80214 
1 1 1  -19    5   15 o  238.859   19.199  113.351   17.849  119.937   24.908  106.398   25.591  246.172   25.928  231.546   28.322 14.62566 38.39788 
1 1 1  -19    5   16 o   81.789   21.979   9.5250   9.7947   4.2530   15.381   13.121   12.703   77.356   31.773   86.222   30.376 -8.866058 43.95705 
1 1 1  -19    5   17 o  608.022   39.842  752.762   94.535   0.0000   0.0000  752.762   94.535  ?   ?   608.022   39.842      ?      ? 
1 1 1  -19    5   18 o  171.645   23.668   62.094   15.424   34.936   21.508   90.851   22.131  129.844   39.175  213.446   26.570 -83.60161 47.33575 
1 1 1  -19    5   19 o  203.682   23.388   85.764   17.736   63.654   24.588  109.749   25.609  173.397   37.433  233.968   28.048 -60.57138 46.77550 
1 1 1  -19    5   20 o  320.286   19.519  206.261   24.350  219.779   34.359  192.621   34.513  331.171   26.586  309.401   28.585 21.77057 39.03724 
1 1 1  -19    5   21 o  268.096   20.656  145.053   21.512  127.668   29.958  163.562   30.911  251.085   30.575  285.107   27.782 -34.02161 41.31179 
1 1 1  -19    5   22 o  381.432   20.325  293.766   30.213  292.322   41.619  295.376   43.930  380.768   28.009  382.097   29.461 -1.328949 40.65093 
1 1 1  -19    5   23 o  300.286   21.639  182.893   25.175  154.926   34.589  214.399   36.711  275.291   32.197  325.282   28.921 -49.99112 43.27861 
1 1 1  -19    5   24 o  306.520   41.127  205.272   44.061  187.207   52.029  251.083   82.852  294.541   45.265  318.498   68.680 -23.95667 82.25487 
1 1 1  -19    5   25 o  153.694   29.296   53.347   18.033   45.317   27.898   59.111   23.634  143.010   44.891  164.378   37.653 -21.36810 58.59125 
1 1 1  -19    5   26 o  102.061   28.058   15.754   15.087   21.650   27.010   13.080   18.189  112.224   43.390   91.898   35.586 20.32545 56.11654 
1 1 1  -19    5   27 o  260.668   24.564  141.734   24.644  177.548   36.949  113.035   33.076  291.198   32.515  230.139   36.830 61.05881 49.12898 
1 1 1  -19    5   28 o  398.141   30.056  352.095   45.612  275.281   64.614  428.390   64.396  348.787   47.472  447.496   36.875 -98.70859 60.11110 
1 1 1  -19    5   29 o  154.896   29.696   45.258   20.144   97.481   33.384   15.357   25.261  207.083   42.728  102.709   41.254 104.3742 59.39296 
1 1 1  -19    6    1 o  532.151   23.157  539.336   44.426  508.747   52.793  613.543   82.230  508.422   26.609  555.880   37.907 -47.45837 46.31348 
1 1 1  -19    6    2 o  150.247   26.791   56.645   15.642   68.504   17.303   3.6281   36.586  186.727   23.746  113.767   48.033 72.95933 53.58187 
1 1 1  -19    6    3 o  119.482   30.498   15.277   18.066   1.7814   21.789   44.969   32.318   87.922   37.091  151.043   48.422 -63.12084 60.99552 
1 1 1  -19    6    4 o  640.053   39.546  814.919   98.777   0.0000   0.0000  814.919   98.777  ?   ?   640.053   39.546      ?      ? 
1 1 1  -19    6    5 o  330.095   24.450  214.206   31.496  214.206   31.496   0.0000   0.0000  330.095   24.450  ?   ?       ?      ? 
1 1 1  -19    6    6 o  425.858   18.389  357.551   30.489  383.948   42.988  330.833   43.248  441.850   24.931  409.867   27.039 31.98331 36.77861 
1 1 1  -19    6    7 o  579.414   23.834  654.742   51.123  696.128   88.600  634.085   62.595  591.693   38.371  567.136   28.283 24.55676 47.66812 
1 1 1  -19    6    8 o  468.358   26.469  431.989   48.378   0.0000   0.0000  431.989   48.378  ?   ?   468.358   26.469      ?      ? 
1 1 1  -19    6    9 o  316.100   17.656  196.187   21.728  190.580   29.560  202.777   32.046  311.265   24.336  320.935   25.588 -9.669373 35.31207 
1 1 1  -19    6   10 o  416.822   18.253  342.321   29.628  343.423   40.642  341.070   43.282  417.670   24.935  415.973   26.663 1.697449 36.50624 
1 1 1  -19    6   11 o  143.280   31.538   39.265   14.775   40.035   15.693   33.252   43.841  139.726   29.696  146.834   55.648 -7.107864 63.07618 
1 1 1  -19    6   12 o  531.189   27.811  557.592   57.650   0.0000   0.0000  557.592   57.650  ?   ?   531.189   27.811      ?      ? 
1 1 1  -19    6   13 o  141.551   22.853   41.344   12.343   42.867   17.749   39.917   17.176  144.094   32.356  139.008   32.282 5.085739 45.70645 
1 1 1  -19    6   14 o  395.121   18.847  308.383   29.013  298.216   39.678  320.064   42.531  388.235   26.189  402.007   27.110 -13.77194 37.69418 
1 1 1  -19    6   15 o  223.863   19.781  100.240   17.134  113.154   23.973   86.755   24.497  239.014   25.702  208.711   30.077 30.30290 39.56256 
1 1 1  -19    6   16 o  308.242   23.731  185.118   27.138  209.156   47.371  173.375   33.109  321.535   37.753  294.949   28.766 26.58594 47.46295 
1 1 1  -19    6   17 o  152.382   29.543   44.370   16.480   61.833   32.185   38.164   19.186  169.822   46.980  134.941   35.833 34.88148 59.08549 
1 1 1  -19    6   18 o  193.669   22.494   76.581   16.512   88.546   23.872   65.605   22.864  210.105   29.115  177.232   34.297 32.87306 44.98871 
1 1 1  -19    6   19 o  180.347   24.625   68.608   16.806   49.979   23.883   86.882   23.654  152.885   39.684  207.809   29.168 -54.92462 49.25067 
1 1 1  -19    6   20 o  215.001   21.403   93.372   17.950   96.184   25.847   90.752   24.946  218.100   30.369  211.901   30.167 6.198776 42.80552 
1 1 1  -19    6   21 o  227.675   22.017  105.376   19.462   92.905   27.357  118.154   27.692  213.520   32.833  241.829   29.343 -28.30904 44.03430 
1 1 1  -19    6   22 o  265.300   21.770  143.246   22.497  150.310   31.494  135.886   32.148  272.379   29.629  258.222   31.903 14.15674 43.53937 
1 1 1  -19    6   23 o  267.903   44.138  170.868   41.117  173.156   47.274  163.761   83.322  285.852   42.379  249.955   77.437 35.89674 88.27524 
1 1 1  -19    6   24 o  221.708   24.672  102.140   21.319  104.929   31.084   99.663   29.294  224.315   35.510  219.101   34.261 5.214157 49.34364 
1 1 1  -19    6   25 o  185.933   28.878   76.832   20.298   75.334   30.322   78.048   27.324  183.044   43.153  188.822   38.389 -5.778503 57.75688 
1 1 1  -19    6   26 o  206.883   28.492   95.998   22.196   79.025   33.212  109.698   29.839  185.113   46.139  228.654   33.440 -43.54163 56.98345 
1 1 1  -19    6   27 o  197.220   28.005   81.383   20.916  112.108   33.690   62.112   26.681  228.626   37.760  165.814   41.369 62.81279 56.01093 
1 1 1  -19    6   28 o  447.040   29.777  441.770   51.462  416.095   76.344  463.153   69.670  430.981   45.392  463.099   38.551 -32.11819 59.55415 
1 1 1  -19    6   29 o  304.447   25.484  198.987   30.248  191.076   42.969  206.758   42.588  297.713   36.985  311.182   35.071 -13.46878 50.96873 
1 1 1  -19    7    1 o  232.914   27.491  104.171   19.558  100.495   21.784  119.456   44.416  226.082   24.691  239.745   49.126 -13.66292 54.98154 
1 1 1  -19    7    2 o  277.625   33.086  164.756   33.398  200.231   44.418  118.614   50.658  317.789   35.817  237.462   55.640 80.32686 66.17124 
1 1 1  -19    7    3 o  364.280   26.757  259.529   37.634  237.062   49.075  291.604   58.638  345.683   36.379  382.877   39.245 -37.19388 53.51305 
1 1 1  -19    7    4 f  375.234   43.935  235.424   31.840  226.973   32.831  369.158  130.604  339.740   24.763  410.727   84.308 -70.98721 87.86990 
1 1 1  -19    7    5 o  373.043   28.356  292.149   33.288  303.953   37.784  251.218   70.361  393.153   24.627  352.933   51.087 40.21994 56.71295 
1 1 1  -19    7    6 f  248.534   23.680   91.889   17.423   78.724   18.740  175.822   47.316  200.111   23.997  296.958   40.830 -96.84715 47.35983 
1 1 1  -19    7    7 o  601.410   28.078  694.706   64.660  584.035   82.430  871.740  104.254  541.607   39.000  661.212   40.403 -119.6049 56.15564 
1 1 1  -19    7    8 o  182.676   27.260   69.900   17.648   61.824   32.283   73.342   21.077  172.520   46.775  192.833   28.009 -20.31288 54.51993 
1 1 1  -19    7    9 o  282.610   18.664  157.775   20.484  161.587   27.840  153.276   30.247  286.495   24.901  278.725   27.808 7.770264 37.32760 
1 1 1  -19    7   10 o  638.133   20.491  802.949   50.935  776.734   69.561  833.254   74.790  627.081   28.426  649.185   29.522 -22.10406 40.98232 
1 1 1  -19    7   11 o  331.667   29.928  218.861   36.159  215.156   43.759  226.835   64.203  328.947   34.089  334.387   49.201 -5.439514 59.85655 
1 1 1  -19    7   12 o  271.482   26.477  145.620   28.051   0.0000   0.0000  145.620   28.051  ?   ?   271.482   26.477      ?      ? 
1 1 1  -19    7   13 o  375.207   18.695  278.933   27.313  299.253   38.567  258.487   38.686  389.136   25.397  361.278   27.439 27.85791 37.38906 
1 1 1  -19    7   14 o  633.581   20.752  798.411   51.296  810.276   72.085  786.240   73.010  638.519   28.929  628.643   29.761 9.875244 41.50452 
1 1 1  -19    7   15 o  236.787   19.783  111.659   18.232  113.549   25.025  109.520   26.615  239.108   26.820  234.465   29.088 4.643173 39.56545 
1 1 1  -19    7   16 o  226.658   27.925  103.623   23.041  115.005   39.471   97.740   28.378  232.838   45.069  220.477   32.983 12.36089 55.84920 
1 1 1  -19    7   17 f  278.564   20.180  154.269   21.864  141.279   29.547  169.988   32.504  265.701   28.497  291.428   28.581 -25.72656 40.35983 
1 1 1  -19    7   18 o  441.491   19.932  389.772   34.199  378.771   46.051  403.301   51.067  435.008   27.127  447.974   29.211 -12.96609 39.86465 
1 1 1  -19    7   19 o  123.900   25.700   31.469   13.107   37.030   20.392   27.554   17.109  132.345   37.675  115.456   34.965 16.88908 51.39968 
1 1 1  -19    7   20 o  539.004   20.916  587.415   43.905  595.810   60.467  578.054   63.852  543.743   28.497  534.266   30.626 9.476807 41.83287 
1 1 1  -19    7   21 o  788.355   23.790  1266.82   72.972  1223.45   98.830  1318.80  108.203  774.565   32.696  802.144   34.566 -27.57898 47.58028 
1 1 1  -19    7   22 f  565.762   21.360  650.760   47.080  656.945   64.949  643.913   68.342  569.309   29.234  562.215   31.150 7.093933 42.71962 
1 1 1  -19    7   23 o  296.094   45.265  242.641   47.454  279.452   55.275  139.467   92.539  364.811   38.826  227.376   81.782 137.4346 90.53046 
1 1 1  -19    7   24 o  365.575   21.798  274.422   31.046  262.931   42.450  287.638   45.523  357.620   30.418  373.531   31.230 -15.91101 43.59515 
1 1 1  -19    7   25 o  246.197   24.429  126.097   23.309  148.398   34.769  107.890   31.415  266.322   33.454  226.072   35.608 40.25052 48.85839 
1 1 1  -19    7   26 o  484.452   21.960  488.181   41.490  510.625   59.060  466.311   58.299  495.965   30.515  472.940   31.588 23.02499 43.91977 
1 1 1  -19    7   27 o  180.688   30.017   71.000   20.417   90.696   33.284   59.118   25.852  199.517   43.937  161.858   40.909 37.65869 60.03333 
1 1 1  -19    7   28 o  128.679   33.651   31.752   18.734   37.569   44.427   30.494   20.660  138.472   55.013  118.886   38.769 19.58593 67.30138 
1 1 1  -19    7   29 o  416.863   23.775  365.170   38.449  320.784   51.458  421.272   57.853  388.152   33.972  445.573   33.271 -57.42105 47.55090 
1 1 1  -19    8    1 o  484.880   28.363  470.981   53.326  504.212   73.264  433.542   77.765  503.851   37.261  465.909   42.771 37.94162 56.72537 
1 1 1  -19    8    2 o  328.896   32.705  240.235   31.436  254.838   35.490  187.050   67.730  359.909   25.268  297.883   60.333 62.02682 65.41051 
1 1 1  -19    8    3 o  445.719   42.363  306.149   38.159  291.731   39.303  542.933  159.275  384.955   26.163  506.483   80.584 -121.5282 84.72510 
1 1 1  -19    8    4 o  388.640   43.258  273.658   34.070  266.594   35.348  366.129  127.888  368.169   24.603  409.112   82.943 -40.94302 86.51542 
1 1 1  -19    8    5 o  496.699   23.917  459.145   41.365  426.471   47.855  555.692   82.261  465.351   26.352  528.047   39.920 -62.69653 47.83356 
1 1 1  -19    8    6 o  179.653   31.773   76.891   19.104   84.933   20.810   33.775   48.184  207.698   25.674  151.609   58.128 56.08905 63.54533 
1 1 1  -19    8    7 f  883.879   29.205  1435.47   89.205  1306.03  102.443  1841.48  181.427  812.154   32.323  955.603   48.651 -143.4492 58.40985 
1 1 1  -19    8    8 o  468.868   43.192  440.726   79.028   0.0000   0.0000  440.726   79.028  ?   ?   468.868   43.192      ?      ? 
1 1 1  -19    8    9 o  1037.61   32.262  2128.69  121.405  2062.10  145.885  2278.69  218.954  1017.42   36.743  1057.81   53.041 -40.39001 64.52487 
1 1 1  -19    8   10 o  505.685   28.050  496.973   45.884  485.399   51.752  539.509   99.211  495.834   26.746  515.536   49.314 -19.70206 56.09971 
1 1 1  -19    8   12 o  316.723   19.146  199.829   23.493  212.856   32.077  184.759   34.502  328.255   25.041  305.191   28.970 23.06418 38.29224 
1 1 1  -19    8   13 o  568.609   20.370  640.348   45.051  619.492   60.889  665.575   66.966  558.716   27.927  578.503   29.663 -19.78601 40.74067 
1 1 1  -19    8   14 o  198.473   20.561   78.398   15.920   76.648   22.165   80.263   22.881  196.204   28.948  200.742   29.208 -4.537140 41.12284 
1 1 1  -19    8   15 o  151.174   30.186   50.353   17.418   34.817   36.104   55.066   19.885  139.348   50.939  163.001   32.402 -23.65294 60.37151 
1 1 1  -19    8   16 o  237.672   24.094  108.584   20.444   64.839   25.946  180.218   33.202  175.100   38.974  300.244   28.337 -125.1445 48.18705 
1 1 1  -19    8   17 f  347.082   20.033  241.998   27.024  248.187   36.908  234.845   39.677  352.349   26.842  341.815   29.745 10.53433 40.06573 
1 1 1  -19    8   18 o  290.227   20.549  169.873   23.194  174.803   31.834  164.296   33.863  295.146   27.639  285.308   30.414 9.838165 41.09715 
1 1 1  -19    8   19 o  258.121   21.340  135.677   21.281  155.084   29.860  115.643   30.338  277.771   27.547  238.471   32.600 39.30002 42.68012 
1 1 1  -19    8   20 o  362.495   20.228  264.447   28.551  256.266   38.874  274.030   42.070  356.701   27.927  368.289   29.272 -11.58893 40.45652 
1 1 1  -19    8   21 o  590.425   21.878  708.416   50.210  705.284   68.044  712.162   74.398  590.035   29.551  590.815   32.268 -0.7800903 43.75534 
1 1 1  -19    8   22 o  193.343   45.021   83.736   32.442   84.206   34.910   80.761   87.844  194.412   46.617  192.274   77.035 2.138000 90.04181 
1 1 1  -19    8   23 o  272.956   22.665  153.416   24.064  138.041   33.595  169.617   34.486  258.331   33.325  287.580   30.729 -29.24884 45.33015 
1 1 1  -19    8   24 o  417.600   21.991  361.399   35.679  397.673   50.389  324.930   50.525  439.952   29.350  395.248   32.757 44.70377 43.98211 
1 1 1  -19    8   25 o  199.202   28.104   87.433   21.182   82.784   32.353   90.920   28.023  190.683   44.320  207.721   34.570 -17.03804 56.20808 
1 1 1  -19    8   26 o  241.786   25.745  124.068   24.122  128.873   36.558  120.363   32.102  244.853   38.260  238.719   34.459 6.133713 51.49052 
1 1 1  -19    8   27 o  122.420   33.513   26.543   18.177   25.760   47.895   26.674   19.646  132.094   55.319  112.745   37.845 19.34982 67.02573 
1 1 1  -19    8   28 o  163.743   31.074   64.858   21.001   42.869   33.444   79.173   26.984  138.582   49.236  188.905   37.922 -50.32304 62.14758 
1 1 1  -19    9    1 o  351.937   22.788  182.379   24.679  150.507   26.764  363.284   63.764  276.586   24.797  427.289   38.241 -150.7025 45.57664 
1 1 1  -19    9    2 o  400.243   37.771  227.133   31.977  212.028   32.976  465.135  130.897  328.168   25.750  472.317   71.017 -144.1492 75.54150 
1 1 1  -19    9    3 o  187.597   36.721   53.407   16.333   50.160   16.900   99.307   63.544  157.082   28.625  218.112   67.634 -61.03021 73.44159 
1 1 1  -19    9    4 o  586.781   25.804  665.085   52.999  641.829   61.968  728.442  102.280  570.455   27.836  603.106   43.458 -32.65063 51.60851 
1 1 1  -19    9    5 o  184.035   31.387   92.201   21.437  109.406   23.274  -4.0666   55.054  235.719   25.301  132.351   57.448 103.3683 62.77310 
1 1 1  -19    9    6 f  311.594   37.641  239.833   32.354  262.805   36.022  143.959   73.589  365.290   25.270  257.897   70.913 107.3923 75.28101 
1 1 1  -19    9    7 o  358.711   29.679  253.381   32.349  250.743   35.824  265.032   75.300  356.677   25.737  360.746   53.489 -4.068237 59.35853 
1 1 1  -19    9    8 o  165.832   34.627   28.756   16.281   20.438   17.093  110.089   53.449  104.659   35.299  227.005   59.583 -122.3457 69.25392 
1 1 1  -19    9    9 o  391.869   31.747  323.073   37.247  331.361   41.487  288.629   84.578  409.741   25.946  373.997   57.950 35.74344 63.49377 
1 1 1  -19    9   10 o  890.307   49.244  1616.01  171.089   0.0000   0.0000  1616.01  171.089  ?   ?   890.307   49.244      ?      ? 
1 1 1  -19    9   11 o  402.527   57.376  311.620   39.795  305.829   40.760  429.528  183.932  393.110   26.570  411.944  111.633 -18.83359 114.7519 
1 1 1  -19    9   12 o  231.674   36.276  101.209   22.786   97.238   24.317  129.795   65.249  221.307   28.157  242.042   66.865 -20.73582 72.55128 
1 1 1  -19    9   13 o  395.139   29.622  317.087   36.595  316.762   41.029  318.354   80.934  399.556   26.314  390.722   53.080 8.834381 59.24443 
1 1 1  -19    9   14 o  667.762   48.003  924.417  125.090   0.0000   0.0000  924.417  125.090  ?   ?   667.762   48.003      ?      ? 
1 1 1  -19    9   15 o  244.633   50.195  129.389   46.313  129.389   46.313   0.0000   0.0000  244.633   50.195  ?   ?       ?      ? 
1 1 1  -19    9   16 o  281.498   21.706  157.426   23.686  140.762   31.408  179.398   36.066  264.526   30.426  298.470   30.965 -33.94440 43.41138 
1 1 1  -19    9   17 o  421.374   20.580  354.333   33.539  337.047   44.141  377.944   51.587  409.954   27.591  432.794   30.544 -22.84055 41.16099 
1 1 1  -19    9   18 o  144.275   25.351   45.041   14.551   31.239   21.293   57.135   19.932  123.260   39.282  165.290   32.058 -42.02922 50.70280 
1 1 1  -19    9   19 o  215.980   21.771   94.542   18.349   95.115   26.042   93.976   25.859  216.626   30.806  215.334   30.772 1.292099 43.54271 
1 1 1  -19    9   20 o  519.673   21.489  548.831   43.414  561.916   59.360  533.782   63.658  527.325   28.846  512.021   31.859 15.30414 42.97775 
1 1 1  -19    9   21 o  242.036   22.256  119.400   20.968  131.200   30.171  108.378   29.160  253.929   30.448  230.143   32.468 23.78618 44.51130 
1 1 1  -19    9   22 o  306.753   46.606  182.671   40.552  162.873   43.629  308.361  109.930  277.587   40.276  335.920   84.062 -58.33273 93.21204 
1 1 1  -19    9   23 o  222.693   25.767  107.603   21.251   81.338   30.498  132.389   29.627  191.476   41.973  253.911   29.901 -62.43427 51.53442 
1 1 1  -19    9   24 o  280.143   23.538  163.984   25.720  169.825   37.024  158.536   35.757  284.957   33.295  275.330   33.279 9.626160 47.07501 
1 1 1  -19    9   25 o  357.886   22.554  267.250   31.375  238.169   43.749  298.046   45.021  336.805   33.286  378.967   30.442 -42.16275 45.10736 
1 1 1  -19    9   26 o  553.632   25.575  646.837   53.559  628.169   67.637  678.224   87.702  548.527   31.597  558.737   40.223 -10.21014 51.14941 
1 1 1  -19    9   27 o  404.248   31.032  373.664   44.562  330.247   77.617  395.013   54.427  374.635   53.091  433.860   32.146 -59.22531 62.06435 
1 1 1  -19    9   28 o  296.317   24.870  188.327   28.674  178.629   41.295  197.357   39.844  287.708   36.780  304.926   33.484 -17.21777 49.73936 
1 1 1  -19   10    2 o  918.496   78.232  1693.68  120.331  1667.13  123.338  2218.29  548.278  916.390   34.489  920.602  152.615 -4.211853 156.4635 
1 1 1  -19   10    3 o  519.887   27.228  552.058   48.754  568.241   57.397  510.132   92.386  536.667   27.407  503.107   47.056 33.56039 54.45510 
1 1 1  -19   10    4 o  564.864   25.825  568.032   48.240  515.825   54.170  768.084  106.040  511.310   27.148  618.417   43.940 -107.1065 51.64996 
1 1 1  -19   10    5 o  584.580   27.322  692.374   55.516  705.316   65.518  659.424  104.542  597.553   28.097  571.607   46.866 25.94604 54.64305 
1 1 1  -19   10    6 o  538.604   27.712  577.723   50.598  575.263   58.544  584.987  100.590  539.602   27.802  537.605   47.947 1.996582 55.42414 
1 1 1  -19   10    7 o  654.768   27.685  825.978   62.259  791.792   71.913  928.282  124.403  632.463   29.137  677.073   47.083 -44.61053 55.36909 
1 1 1  -19   10    8 f  242.888   42.596  101.081   26.901   94.963   28.279  159.280   87.221  218.445   33.174  267.330   78.469 -48.88496 85.19283 
1 1 1  -19   10    9 o  433.778   54.321  388.159   91.953   0.0000   0.0000  388.159   91.953  ?   ?   433.778   54.321      ?      ? 
1 1 1  -19   10   10 o  270.411   39.087  133.957   25.804  128.469   27.181  184.067   82.128  254.607   27.357  286.215   73.230 -31.60880 78.17342 
1 1 1  -19   10   11 o  307.030   54.291  219.337   34.376  221.219   35.245  182.601  155.706  333.941   27.046  280.119  105.159 53.82214 108.5815 
1 1 1  -19   10   12 o  213.640   39.860  103.840   25.437  107.853   26.922   70.456   77.651  232.569   29.664  194.710   73.996 37.85861 79.72071 
1 1 1  -19   10   13 o  671.416   49.580  938.996  129.906   0.0000   0.0000  938.996  129.906  ?   ?   671.416   49.580      ?      ? 
1 1 1  -19   10   14 o  284.609   63.588  133.425   50.889  114.254   53.229  337.221  173.547  225.969   59.531  343.248  112.383 -117.2788 127.1769 
1 1 1  -19   10   15 o  454.674   32.038  402.005   43.335  386.584   47.490  478.753  105.945  439.521   27.688  469.828   57.784 -30.30777 64.07502 
1 1 1  -19   10   16 o  144.620   38.960   36.348   18.173   38.441   18.565 -11.6322   88.882  134.902   34.974  154.339   69.629 -19.43767 77.91914 
1 1 1  -19   10   17 o  142.031   41.709   21.824   16.764   20.892   17.064   47.616   89.778  103.974   35.268  180.089   75.596 -76.11589 83.41764 
1 1 1  -19   10   18 o  586.715   56.407  758.476  129.150   0.0000   0.0000  758.476  129.150  ?   ?   586.715   56.407      ?      ? 
1 1 1  -19   10   19 o  326.486   43.978  219.403   34.100  212.460   35.982  280.605  106.835  324.483   28.416  328.489   83.239 -4.006134 87.95533 
1 1 1  -19   10   20 o  218.693   43.798  116.483   28.784  120.054   29.937   72.794  104.711  242.629   31.618  194.757   81.691 47.87259 87.59638 
1 1 1  -19   10   21 o  234.930   46.329  137.685   36.522  141.533   38.921  109.333  105.658  259.986   38.362  209.874   84.344 50.11212 92.65858 
1 1 1  -19   10   22 o  117.029   26.827   27.834   13.522   31.689   22.910   25.773   16.750  123.054   40.859  111.003   34.775 12.05075 53.65390 
1 1 1  -19   10   23 o  173.755   26.784   70.739   18.726   31.714   28.195  101.539   25.048  125.141   45.126  222.368   28.865 -97.22710 53.56841 
1 1 1  -19   10   24 o  315.496   22.745  207.701   27.996  214.536   40.006  201.142   39.191  320.708   31.966  310.283   32.366 10.42532 45.49060 
1 1 1  -19   10   25 o  302.055   23.155  190.974   27.267  198.981   39.643  183.785   37.562  307.893   32.994  296.216   32.495 11.67700 46.30909 
1 1 1  -19   10   26 o  169.768   37.419   63.988   22.332   73.612   58.750   62.363   24.145  171.908   64.584  167.629   37.810 4.278641 74.83743 
1 1 1  -19   10   27 o  492.673   22.672  510.442   43.574  509.701   60.815  511.224   62.464  492.789   31.624  492.556   32.497 0.2327576 45.34463 
1 1 1  -19   11    1 o  267.025   36.297  130.954   26.648  124.157   28.674  174.029   72.183  250.512   29.331  283.538   66.404 -33.02618 72.59355 
1 1 1  -19   11    2 o  113.083   32.080   15.151   12.001   15.395   12.360   11.125   50.157   90.429   30.010  135.737   56.708 -45.30770 64.15904 
1 1 1  -19   11    3 o  324.158   30.325  173.279   27.968  158.245   30.000  273.093   77.298  283.048   27.160  365.269   54.228 -82.22110 60.64956 
1 1 1  -19   11    4 o  516.482   35.481  506.458   66.545  449.746   78.921  645.960  123.779  472.754   42.778  560.211   56.619 -87.45724 70.96277 
1 1 1  -19   11    5 o  234.701   34.107  173.528   28.239  208.780   30.782 -13.7136   70.943  325.417   24.240  143.984   63.762 181.4335 68.21438 
1 1 1  -19   11    6 o  496.275   32.917  462.488   46.381  446.166   50.202  557.619  121.198  474.966   27.085  517.583   60.004 -42.61703 65.83412 
1 1 1  -19   11    7 o  604.166   28.944  723.885   68.240  723.885   68.240   0.0000   0.0000  604.166   28.944  ?   ?       ?      ? 
1 1 1  -19   11    8 o  390.312   31.576  260.305   40.728  223.184   45.450  411.635   91.766  334.009   34.869  446.616   52.652 -112.6070 63.15164 
1 1 1  -19   11    9 o  286.939   40.306  167.568   29.049  165.271   30.871  185.322   85.829  288.637   27.408  285.241   75.809 3.395721 80.61150 
1 1 1  -19   11   10 o  153.418   39.094   35.419   15.495   35.119   15.821   42.463   76.672  130.087   31.501  176.748   71.561 -46.66063 78.18742 
1 1 1  -19   11   11 o  292.886   52.580  194.457   31.692  195.281   32.472  177.926  145.470  313.500   26.542  272.272  101.756 41.22815 105.1602 
1 1 1  -19   11   12 o  408.107   38.236  345.738   57.744  332.472   70.766  372.171   99.890  401.319   45.186  414.894   61.695 -13.57449 76.47263 
1 1 1  -19   11   13 o  243.797   59.740  121.313   51.455  115.658   54.551  166.942  154.944  226.758   60.519  260.837  103.018 -34.07994 119.4792 
1 1 1  -19   11   14 o  184.498   55.405   18.129   15.847   16.273   15.926  203.792  159.280   95.477   33.970  273.520  105.475 -178.0430 110.8107 
1 1 1  -19   11   15 o  411.024   84.321  421.849  130.713   0.0000   0.0000  421.849  130.713  ?   ?   411.024   84.321      ?      ? 
1 1 1  -19   11   16 o  342.081   48.317  253.256   37.079  248.794   38.851  298.854  124.196  351.643   28.312  332.520   92.394 19.12326 96.63490 
1 1 1  -19   11   17 o  318.249   49.755  211.580   35.489  205.580   36.966  282.193  126.817  318.936   29.701  317.561   94.974 1.374939 99.50977 
1 1 1  -19   11   18 o  283.091   43.795   88.062   24.295   75.302   24.861  359.005  114.557  189.038   34.989  377.144   80.299 -188.1052 87.59074 
1 1 1  -19   11   19 f  284.448   46.662  177.277   33.741  173.414   35.562  212.122  106.808  291.826   31.227  277.071   87.944 14.75464 93.32321 
1 1 1  -19   11   20 o  281.353   49.833  138.163   34.477  124.499   35.961  293.514  121.254  244.270   37.725  318.436   92.249 -74.16576 99.66500 
1 1 1  -19   11   21 o  146.754   44.435   19.490   19.855   16.811   20.257   85.024  100.201  100.214   37.864  193.295   80.401 -93.08075 88.87087 
1 1 1  -19   11   22 o   88.980   30.494  -9.0089   17.586  -1.8819   17.999 -159.2446   82.637   74.395   32.559  103.565   51.569 -29.17009 60.98745 
1 1 1  -19   11   23 o  165.993   39.396   65.612   26.229   69.341   28.140   40.913   72.418  175.592   41.689  156.393   66.859 19.19878 78.79129 
1 1 1  -19   11   24 o  193.647   40.242   98.512   29.491  104.533   31.940   63.715   76.788  217.933   38.988  169.361   70.410 48.57253 80.48331 
1 1 1  -19   11   25 o  190.704   58.863   83.501   60.730   77.637   63.758  140.894  199.460  175.567   66.971  205.841   96.821 -30.27380 117.7262 
1 1 1  -19   11   26 o  199.846   45.098   84.157   30.318   73.845   32.626  149.388   82.061  177.559   46.526  222.133   77.269 -44.57408 90.19518 
1 1 1  -19   11   27 o  259.958   30.815  234.369   41.809  353.575   48.383 -117.0766   83.075  411.096   30.159  108.820   53.747 302.2758 61.63007 
1 1 1  -19   12    1 o  287.779   52.436  166.195   50.626  152.565   56.732  219.480  112.174  267.431   56.149  308.127   88.574 -40.69553 104.8713 
1 1 1  -19   12    2 o  680.483   60.326  742.094   98.524  674.872  102.895  1483.36  341.684  576.799   45.713  784.167  111.657 -207.3670 120.6516 
1 1 1  -19   12    3 o  303.256   38.206  192.245   28.958  192.150   30.944  192.915   82.166  311.869   25.425  294.644   72.058 17.22522 76.41197 
1 1 1  -19   12    4 o  460.378   40.217  400.474   46.773  388.478   49.616  496.248  140.191  442.583   28.728  478.173   75.128 -35.58945 80.43356 
1 1 1  -19   12    5 o  655.299   34.070  661.990   58.175  599.909   61.334  1218.42  183.626  549.867   28.583  760.731   61.854 -210.8639 68.13947 
1 1 1  -19   12    6 o  118.064   32.817   23.120   15.042   27.622   15.384 -74.6584   71.700  116.029   32.617  120.100   56.956 -4.071365 65.63465 
1 1 1  -19   12    7 o  227.262   77.185  112.165   81.732   0.0000   0.0000  112.165   81.732  ?   ?   227.262   77.185      ?      ? 
1 1 1  -19   12    8 o  377.561   38.604  293.980   38.416  291.036   41.545  311.347  100.896  382.662   27.821  372.461   72.021 10.20071 77.20803 
1 1 1  -19   12    9 o  308.595   32.044  126.684   23.135  113.060   24.006  304.280   86.671  238.686   25.773  378.503   58.678 -139.8178 64.08833 
1 1 1  -19   12   10 o  263.723   44.009  167.599   30.231  172.550   31.834  122.136   96.468  294.267   27.722  233.179   83.539 61.08734 88.01826 
1 1 1  -19   12   11 o  225.046   52.145  103.615   47.615   87.684   55.117  150.481   94.535  199.331   63.165  250.761   82.986 -51.42990 104.2908 
1 1 1  -19   12   12 o  279.512   56.210  140.952   29.706  137.239   30.209  249.706  163.497  261.530   29.600  297.493  108.454 -35.96277 112.4206 
1 1 1  -19   12   13 o  462.364   28.271  428.753   51.011  428.753   51.011   0.0000   0.0000  462.364   28.271  ?   ?       ?      ? 
1 1 1  -19   12   14 o  442.248   47.402  462.276   72.824  497.845   90.174  395.575  123.486  485.044   47.639  399.452   81.966 85.59244 94.80448 
1 1 1  -19   12   15 o  177.430   45.563   50.512   20.770   49.425   21.169   78.524  107.462  152.430   36.138  202.430   83.654 -50.00029 91.12595 
1 1 1  -19   12   16 o  458.151   44.147  449.206   71.250  416.108   83.458  538.172  136.831  441.171   48.476  475.131   73.797 -33.95978 88.29449 
1 1 1  -19   12   17 o  345.288   46.259  242.670   36.259  234.282   38.036  326.182  120.016  340.674   28.610  349.901   87.984 -9.226471 92.51891 
1 1 1  -19   12   18 o  163.313   46.131   29.259   18.183   26.909   18.457  106.479  105.805  114.511   36.581  212.115   84.700 -97.60460 92.26139 
1 1 1  -19   12   19 o  241.777   53.516   57.308   22.544   49.822   22.842  338.084  139.892  151.604   38.529  331.949   99.857 -180.3445 107.0323 
1 1 1  -19   12   20 o  211.232   52.274   54.091   24.802   46.388   25.299  244.229  125.689  145.267   42.153  277.197   95.673 -131.9294 104.5478 
1 1 1  -19   12   21 o  213.470   45.608  102.537   28.895  101.170   30.018  119.806  106.669  219.700   35.012  207.241   84.228 12.45850 91.21518 
1 1 1  -19   12   22 o  238.132   38.810  181.237   35.182  208.286   38.172   28.608   90.676  316.949   30.862  159.314   71.222 157.6357 77.62082 
1 1 1  -19   12   23 o  228.534   38.195  164.332   33.892  188.968   36.819   27.595   86.742  301.198   31.325  155.871   69.673 145.3265 76.39066 
1 1 1  -19   12   24 o  290.427   58.815  278.831   70.323  284.424   76.516  248.417  178.434  344.681   56.886  236.174  102.961 108.5068 117.6309 
1 1 1  -19   12   25 o  154.575   46.986   42.244   50.083   47.215   62.169   33.053   84.534  153.553   63.556  155.597   69.220 -2.044342 93.97168 
1 1 1  -19   12   26 o  203.729   42.824  110.185   32.160  112.780   34.732   94.582   85.170  223.741   41.300  183.717   75.032 40.02380 85.64753 
1 1 1  -19   13    1 o  617.340   57.261  481.525   84.757  402.370   87.953  1511.66  317.291  441.606   51.037  793.074  102.521 -351.4684 114.5221 
1 1 1  -19   13    2 o  171.101   47.516   43.188   44.119   38.278   53.797   53.273   77.100  157.719   61.165  184.483   72.731 -26.76395 95.03104 
1 1 1  -19   13    3 o  152.738   59.556   34.776   51.217   34.776   51.217   0.0000   0.0000  152.738   59.556  ?   ?       ?      ? 
1 1 1  -19   13    4 f  289.760   58.366  181.910   63.716  181.910   63.716   0.0000   0.0000  289.760   58.366  ?   ?       ?      ? 
1 1 1  -19   13    5 o  360.909   44.631  303.604   39.909  311.667   42.892  251.598  108.929  395.991   27.756  325.828   84.836 70.16299 89.26140 
1 1 1  -19   13    6 o  219.827   42.375  104.875   27.698  107.047   29.243   85.932   86.360  231.179   32.415  208.476   78.306 22.70378 84.74992 
1 1 1  -19   13    7 o  374.919   49.599  323.521   66.149  344.614   81.579  283.030  113.027  406.219   51.462  343.620   84.806 62.59891 99.19843 
1 1 1  -19   13    8 o  166.989   41.571   42.930   17.219   42.162   17.571   61.532   86.487  142.216   32.385  191.761   76.576 -49.54451 83.14247 
1 1 1  -19   13    9 o  207.727   46.149   71.302   23.787   67.932   24.491  127.458   99.970  180.199   36.085  235.256   84.952 -55.05730 92.29816 
1 1 1  -19   13   10 o  200.561   47.789   90.018   51.463  135.599   60.898 -23.8462   96.251  243.922   63.395  157.199   71.529 86.72237 95.57894 
1 1 1  -19   13   11 o  520.402   28.849  543.428   58.587  543.428   58.587   0.0000   0.0000  520.402   28.849  ?   ?       ?      ? 
1 1 1  -19   13   12 o  152.841   44.486   35.444   17.711   37.145   17.836 -84.8339  150.011  132.719   34.219  172.962   82.130 -40.24324 88.97301 
1 1 1  -19   13   13 o  683.584   62.184  1046.54  165.882   0.0000   0.0000  1046.54  165.882  ?   ?   683.584   62.184      ?      ? 
1 1 1  -19   13   14 o  454.945   47.787  474.525   75.977  467.801   91.828  489.119  135.276  466.553   50.436  443.337   81.182 23.21631 95.57410 
1 1 1  -19   13   15 o  469.352   47.600  513.531   78.786  521.069   96.782  498.723  135.653  491.724   50.436  446.980   80.741 44.74396 95.19908 
1 1 1  -19   13   16 o  183.722   47.141   46.303   19.493   43.744   19.807  125.140  109.936  143.204   35.597  224.240   87.304 -81.03569 94.28231 
1 1 1  -19   13   17 o  133.120   34.378   37.782   20.781   47.547   21.264 -169.5883   97.993  148.816   36.818  117.425   58.067 31.39094 68.75577 
1 1 1  -19   13   18 o  224.439   35.703  170.961   34.729  203.441   36.465 -146.1252  113.934  316.227   29.549  132.651   65.004 183.5752 71.40505 
1 1 1  -19   13   19 o  250.424   88.447  186.549  107.769   0.0000   0.0000  186.549  107.769  ?   ?   250.424   88.447      ?      ? 
1 1 1  -19   13   20 o  111.966   38.733 -11.9040   13.399 -13.3993   13.557   50.925   87.880   53.715   25.258  170.216   73.232 -116.5011 77.46543 
1 1 1  -19   13   21 o  234.777   41.077  138.491   30.662  141.272   33.310  123.059   78.470  260.065   32.821  209.489   75.313 50.57549 82.15414 
1 1 1  -19   13   22 o  170.333   35.946   80.846   29.504  100.863   31.984 -33.4626   76.431  213.538   39.847  127.127   59.839 86.41186 71.89172 
1 1 1  -19   13   23 o  257.450   52.574  174.022   36.321  171.941   37.212  215.955  167.029  285.947   33.348  228.952   99.720 56.99416 105.1483 
1 1 1  -19   13   24 o  356.214   60.312  485.105   88.829  522.057   97.817  311.286  212.153  471.366   53.177  241.061  108.270 230.3044 120.6238 
1 1 1  -19   13   25 o  126.867   39.790   17.364   23.820   17.323   24.755   17.879   87.470  104.177   41.167  149.557   68.105 -45.37981 79.58007 
1 1 1  -19   14    1 o  262.631   62.592  153.422   63.241  153.422   63.241   0.0000   0.0000  262.631   62.592  ?   ?       ?      ? 
1 1 1  -19   14    2 o  456.931   59.809  401.340   77.425  360.317   83.699  644.601  203.820  415.328   51.641  498.533  107.897 -83.20505 119.6183 
1 1 1  -19   14    3 o  369.518   58.310  296.220   69.183  278.858   77.221  366.844  155.742  363.825   54.389  375.211  103.159 -11.38577 116.6191 
1 1 1  -19   14    4 o  237.107  101.778   87.177  169.053   87.177  169.053   0.0000   0.0000  237.107  101.778  ?   ?       ?      ? 
1 1 1  -19   14    5 o  322.211   83.221  289.082  128.551  313.270  252.799  280.647  149.295  320.452  129.872  323.971  104.096 -3.518921 166.4410 
1 1 1  -19   14    6 o  631.167   69.968  819.012   75.752  796.289   77.875  1218.83  326.662  629.480   31.702  632.854  136.298 -3.374146 139.9362 
1 1 1  -19   14    7 o  153.430   48.672  -9.6762   54.515 -17.7622   64.363   10.851  102.549  131.685   59.345  175.175   77.163 -43.48981 97.34450 
1 1 1  -19   14    8 o  263.165   55.411  132.023   59.764   72.053   70.603  283.601  112.248  188.952   70.836  337.378   85.229 -148.4258 110.8227 
1 1 1  -19   14    9 o  156.869   37.847   55.317   21.975   62.253   22.508 -85.9192  101.570  172.297   34.676  141.441   67.284 30.85568 75.69363 
1 1 1  -19   14   10 o  151.885   48.020   17.826   14.681   17.303   14.768   62.094  135.849   95.774   32.808  207.997   90.263 -112.2229 96.04002 
1 1 1  -19   14   11 o  183.516   49.684   50.889   19.849   50.646   20.026   64.490  149.865  154.960   34.046  212.072   93.354 -57.11227 99.36829 
1 1 1  -19   14   12 o  319.489   58.090  277.556   43.317  280.881   44.389  211.223  198.260  372.630   30.526  266.347  112.099 106.2837 116.1807 
1 1 1  -19   14   13 o  339.471   43.498  201.116   34.710  185.804   36.378  356.698  115.957  302.818   30.784  376.123   81.367 -73.30508 86.99514 
1 1 1  -19   14   14 o  186.743   41.977   74.811   23.340   77.017   23.984   35.376  101.403  194.669   31.572  178.817   77.792 15.85274 83.95464 
1 1 1  -19   14   15 o  228.906   45.635  106.249   27.905  103.328   29.044  141.296  100.608  224.827   33.104  232.984   85.055 -8.157104 91.26982 
1 1 1  -19   14   16 o  227.053   44.684  112.744   28.004  111.772   29.207  123.813   98.554  233.881   32.001  220.225   83.442 13.65622 89.36797 
1 1 1  -19   14   17 o  338.151   50.226  303.042   43.262  309.938   46.071  251.602  125.826  389.725   30.293  286.577   95.776 103.1480 100.4526 
1 1 1  -19   14   18 o  207.132   42.236  114.258   31.974  122.696   33.585   32.594  104.483  242.463   35.495  171.802   76.654 70.66066 84.47293 
1 1 1  -19   14   19 o  182.015   37.923   87.434   26.434   95.908   27.686   0.0307   88.914  214.670   33.049  149.361   68.266 65.30946 75.84551 
1 1 1  -19   14   20 o   97.153   32.620  -0.9216   15.378   0.8866   15.759 -36.9583   70.350   72.517   31.100  121.788   57.351 -49.27024 65.24034 
1 1 1  -19   14   21 o  290.859   41.342  239.073   37.862  264.835   42.856  147.464   80.816  357.004   30.761  224.714   76.749 132.2904 82.68420 
1 1 1  -19   14   22 f  228.099   49.492  137.095   34.243  137.845   34.988  120.042  166.878  255.014   35.158  201.185   92.531 53.82883 98.98473 
1 1 1  -19   14   23 o  155.632   50.916   21.312   60.069   27.522   65.335 -12.6152  152.712  143.956   62.534  167.307   80.369 -23.35063 101.8323 
1 1 1  -19   14   24 o  127.178   45.385  -3.6775   21.219  -4.4516   21.415   38.108  157.346   77.996   34.759  176.360   83.851 -98.36377 90.76967 
1 1 1  -19   15    1 o  235.841   52.958  132.945   59.812  181.506   76.685   57.515   95.575  279.240   70.393  192.442   79.141 86.79845 105.9169 
1 1 1  -19   15    2 o  201.111   54.636   76.278   58.134   60.429   72.245  105.393   97.917  182.195   70.818  220.025   83.219 -37.82993 109.2726 
1 1 1  -19   15    3 o  475.522  153.501  857.410  324.351  857.410  324.351   0.0000   0.0000  475.522  153.501  ?   ?       ?      ? 
1 1 1  -19   15    4 o  391.670   57.148  331.222   87.349  331.222   87.349   0.0000   0.0000  391.670   57.148  ?   ?       ?      ? 
1 1 1  -19   15    5 o  201.689   56.778   63.615   63.671   31.374   77.087  132.830  112.947  166.559   69.989  236.818   89.424 -70.25935 113.5569 
1 1 1  -19   15    6 f  175.283   53.165   29.732   63.235   21.405   79.822   43.765  103.620  162.819   69.915  187.747   80.112 -24.92827 106.3293 
1 1 1  -19   15    7 o  249.179   62.555  153.723   72.035  152.775   84.120  156.330  139.489  249.575   77.888  248.784   97.908 0.7911377 125.1099 
1 1 1  -19   15    8 o  302.504   54.624  208.660   35.244  207.238   36.188  234.876  155.379  320.969   28.891  284.039  105.358 36.93027 109.2479 
1 1 1  -19   15    9 o  173.985   47.683   45.310   19.847   45.104   20.073   54.326  132.834  145.767   35.595  202.202   88.475 -56.43581 95.36646 
1 1 1  -19   15   10 o  353.044   68.638  320.707   81.423  303.781   89.128  406.098  200.191  361.915   65.519  344.174  120.632 17.74054 137.2765 
1 1 1  -19   15   11 o  502.872   83.400  632.528  163.664   0.0000   0.0000  632.528  163.664  ?   ?   502.872   83.400      ?      ? 
1 1 1  -19   15   12 f  151.133   47.502   25.663   17.553   26.174   17.662 -15.0209  157.602  113.091   35.749  189.176   88.021 -76.08531 95.00305 
1 1 1  -19   15   13 o  273.720   42.778  200.518   35.186  215.053   38.322  122.462   88.807  325.706   30.150  221.733   80.068 103.9732 85.55698 
1 1 1  -19   15   14 o  155.201   37.451   51.576   21.026   55.142   21.932   11.056   73.933  160.674   35.885  149.728   65.747 10.94554 74.90282 
1 1 1  -19   15   15 o  337.697   36.543  250.828   36.718  249.889   41.109  254.530   81.652  350.381   30.065  325.013   66.615 25.36777 73.08581 
1 1 1  -19   15   16 o  318.587   39.681  340.288   47.173  450.220   54.948   32.194   91.989  469.549   29.988  167.626   73.478 301.9229 79.36208 
1 1 1  -19   15   17 o   94.303   33.130  -4.5855   12.334  -3.5783   12.485 -45.3804   79.460   60.074   26.669  128.531   60.655 -68.45660 66.25945 
1 1 1  -19   15   18 o  156.231   37.889   57.876   23.781   63.845   24.798 -10.4416   83.895  170.430   38.227  142.031   65.429 28.39844 75.77779 
1 1 1  -19   15   19 o  173.993   42.462   62.108   24.889   59.531   26.126   87.402   81.865  162.794   41.114  185.193   74.307 -22.39822 84.92305 
1 1 1  -19   15   20 o  142.372   37.643   43.927   23.110   48.956   24.149 -10.7617   79.640  147.610   40.637  137.133   63.376 10.47656 75.28512 
1 1 1  -19   15   21 o  144.895   48.960 -19.9539   64.584 -10.2346   71.437 -63.4458  151.117  131.364   60.464  158.427   77.023 -27.06224 97.92014 
1 1 1  -19   15   22 o  175.852   56.813   48.704   68.480   34.225   75.030  120.938  167.587  152.248   66.559  199.457   92.092 -47.20866 113.6268 
1 1 1  -19   15   23 o  165.229   41.158   69.567   28.771   76.352   29.750 -28.4188  113.062  182.706   42.524  147.753   70.481 34.95227 82.31516 
1 1 1  -19   16    1 o  236.103   68.678  128.107  100.918   68.428  188.198  152.193  119.562  226.552  101.845  245.654   92.163 -19.10193 137.3553 
1 1 1  -19   16    2 o  284.762   76.134  240.999  118.222  181.403  208.154  269.377  143.637  262.260  112.766  307.265  102.321 -45.00558 152.2689 
1 1 1  -19   16    3 o  409.400   68.288  427.903   96.918  407.690  111.088  492.318  198.307  423.324   67.246  395.475  118.875 27.84915 136.5767 
1 1 1  -19   16    4 o  152.366   69.970 -28.6061   94.927 -28.6061   94.927   0.0000   0.0000  152.366   69.970  ?   ?       ?      ? 
1 1 1  -19   16    5 o  245.584   63.695  151.187   77.139  140.944   94.871  171.171  132.510  237.617   83.057  253.552   96.590 -15.93465 127.3896 
1 1 1  -19   16    6 o  218.724   59.309  111.007   68.958  114.806   83.754  103.013  121.501  219.117   77.909  218.331   89.445 0.7853546 118.6180 
1 1 1  -19   16    7 o  192.891   56.483   66.836   66.729   73.118   80.083   52.568  120.687  189.860   74.349  195.922   85.050 -6.062500 112.9655 
1 1 1  -19   16    8 o  180.968   55.443   34.673   65.815   21.257   77.721   68.678  123.738  159.063   68.650  202.873   87.079 -43.80983 110.8855 
1 1 1  -19   16    9 o  239.248   49.706  133.708   29.559  135.226   30.168   97.219  147.907  258.573   29.897  219.924   94.810 38.64818 99.41258 
1 1 1  -19   16   10 o  197.193   50.216   68.423   23.009   68.141   23.275   80.604  152.775  179.853   34.415  214.533   94.351 -34.68007 100.4313 
1 1 1  -19   16   11 o  364.034   63.535  337.569   47.025  334.832   48.168  393.180  217.107  406.273   30.382  321.796  123.384 84.47736 127.0699 
1 1 1  -19   16   12 o  208.729   55.703   66.107   22.659   64.688   22.823  163.369  188.908  174.762   34.690  242.695  105.868 -67.93246 111.4067 
1 1 1  -19   16   13 f  372.915   65.487  401.883   52.626  401.542   53.777  409.577  255.657  443.682   31.060  302.148  127.238 141.5340 130.9737 
1 1 1  -19   16   14 o  165.377   37.308   68.216   23.497   75.811   24.301 -40.8793   92.100  189.192   34.172  141.563   66.331 47.62933 74.61584 
1 1 1  -19   16   15 o  125.604   31.912   34.347   20.170   46.491   20.695 -195.9947   90.129  146.409   36.381  104.798   52.440 41.61098 63.82433 
1 1 1  -19   16   16 o  219.690   42.056  108.870   26.636  107.301   28.055  123.223   84.830  227.823   31.556  211.557   77.969 16.26593 84.11230 
1 1 1  -19   16   17 o  228.492   42.915  134.157   31.762  137.337   33.940  111.743   90.107  256.003   33.973  200.980   78.820 55.02307 85.82989 
1 1 1  -19   16   18 o  243.570   43.485  161.076   32.523  166.001   34.548  122.722   96.412  282.480   31.340  204.660   81.126 77.81967 86.96907 
1 1 1  -19   16   19 o  103.383   35.852  -1.0873   15.241   0.1428   15.437 -48.6195   95.958   70.882   30.593  135.885   64.850 -65.00235 71.70404 
1 1 1  -19   16   20 o  171.061   58.151   16.440   77.212   9.8058   81.717   71.675  235.792  145.681   66.141  196.442   95.664 -50.76091 116.3028 
1 1 1  -19   16   21 o  153.299   45.625   44.071   25.405   46.782   25.636 -104.7855  189.980  143.548   42.649  163.051   80.669 -19.50319 91.24924 
1 1 1  -19   16   22 o  184.456   42.330   91.393   29.837   96.610   30.910   20.175  114.207  208.059   39.515  160.854   74.872 47.20479 84.65935 
1 1 1  -19   17    1 o  227.498   63.582  120.548   82.676  160.446  128.275   92.196  108.133  246.052   94.718  208.944   84.848 37.10788 127.1644 
1 1 1  -19   17    2 o  201.376   59.061   35.069   78.513  177.607  129.269 -48.2456   98.831  254.825   95.787  147.926   69.119 106.8987 118.1212 
1 1 1  -19   17    3 o  256.421   67.194  164.639   89.869   99.532  115.569  264.236  142.939  214.095   87.417  298.748  102.070 -84.65306 134.3875 
1 1 1  -19   17    4 o  239.878   58.933  134.313   79.610  244.462  107.976   3.1194  117.841  303.617   86.786  176.139   79.753 127.4783 117.8658 
1 1 1  -19   17    5 o  190.751   56.544   59.735   72.079   88.086   97.437   25.470  107.118  203.248   81.238  178.253   78.673 24.99460 113.0889 
1 1 1  -19   17    6 o  213.823   62.185   85.950   79.491   48.492   97.292  161.164  137.866  182.899   77.824  244.747   97.013 -61.84846 124.3708 
1 1 1  -19   17    7 o  170.576   54.157  -2.4681   69.741 -34.4104   84.433   66.125  123.728  140.539   65.057  200.613   86.600 -60.07425 108.3137 
1 1 1  -19   17    8 o  213.140   58.781  108.780   71.604  133.876   82.940   35.340  141.884  230.526   77.756  195.753   88.174 34.77298 117.5615 
1 1 1  -19   17    9 o  312.364  138.887  516.222  339.893  516.222  339.893   0.0000   0.0000  312.364  138.887  ?   ?       ?      ? 
1 1 1  -19   17   10 o  186.883   43.426   83.372   26.345   89.145   26.676 -144.5033  167.609  208.714   32.752  165.052   80.439 43.66132 86.85114 
1 1 1  -19   17   11 o  322.898   59.701  286.856   44.048  287.428   45.002  273.796  215.061  375.464   30.714  270.332  115.383 105.1315 119.4011 
1 1 1  -19   17   12 f  269.450   30.403  148.274   31.969  148.274   31.969   0.0000   0.0000  269.450   30.403  ?   ?       ?      ? 
1 1 1  -19   17   13 o  161.553   36.058   56.363   22.156   56.363   22.156   0.0000   0.0000  161.553   36.058  ?   ?       ?      ? 
1 1 1  -19   17   14 o  128.277   46.026   8.7675   12.633   9.0995   12.659 -71.3107  196.597   77.865   29.808  178.689   87.092 -100.8240 92.05197 
1 1 1  -19   17   15 o  186.655   54.426   50.444   20.651   49.118   20.755  181.029  205.956  149.964   35.936  223.346  102.750 -73.38231 108.8528 
1 1 1  -19   17   16 o  286.459   61.929  188.357   36.583  182.093   37.032  442.134  235.705  295.578   32.105  277.340  119.624 18.23734 123.8576 
1 1 1  -19   17   17 o  202.130   42.562  103.881   27.227  106.438   28.130   66.001  108.276  225.810   31.923  178.451   78.912 47.35847 85.12430 
1 1 1  -19   17   18 o  172.309   44.378   62.048   24.659   61.911   25.277   64.742  112.158  166.402   39.514  178.216   79.474 -11.81419 88.75549 
1 1 1  -19   17   19 o  213.271   64.543  144.906   83.526  139.991   89.191  179.958  238.170  214.422   79.767  212.120  101.490 2.302353 129.0850 
1 1 1  -19   17   20 o  161.359   40.335   65.786   27.577   73.379   28.294 -78.4405  123.311  180.124   41.153  142.594   69.383 37.53009 80.66969 
1 1 1  -19   17   21 o  206.476   41.993  125.659   32.867  133.893   34.085   16.645  124.018  250.463   34.873  162.490   76.403 87.97299 83.98519 
1 1 1  -19   18    1 o  202.207   58.872   83.253   74.998   93.558  106.214   73.007  105.912  207.270   84.119  197.145   82.387 10.12552 117.7437 
1 1 1  -19   18    2 o  267.331   68.791  198.041   91.029  160.023  115.808  259.509  147.254  243.745   90.850  290.917  103.319 -47.17242 137.5812 
1 1 1  -19   18    3 o  213.518   56.137   56.058   80.490  228.576  111.493 -131.7223  116.320  287.961   89.636  139.076   67.606 148.8849 112.2731 
1 1 1  -19   18    4 o  228.546   65.714  129.028   89.779  116.489  113.670  149.821  146.378  219.521   87.744  237.570   97.849 -18.04849 131.4283 
1 1 1  -19   18    5 o  400.288   76.768  485.454  115.311  466.327  133.696  541.012  227.855  425.549   83.490  375.027  128.852 50.52155 153.5361 
1 1 1  -19   18    6 o  186.249   58.107   1.2651   83.964 -86.3022  107.500  138.266  134.462  142.167   68.063  230.330   94.197 -88.16362 116.2138 
1 1 1  -19   18    7 o  300.994   64.450  281.699   87.628  316.293  101.785  182.639  172.242  354.912   75.794  247.076  104.263 107.8365 128.9009 
1 1 1  -19   18    8 o  153.104   50.875 -40.0970   75.569  -0.6979   88.526 -145.9184  145.082  153.937   69.465  152.271   74.348 1.665985 101.7494 
1 1 1  -19   18    9 o  173.978   54.911   25.564   76.786   66.933   88.437 -101.1460  154.774  183.842   75.924  164.114   79.350 19.72739 109.8220 
1 1 1  -19   18   10 o  252.195   80.765  244.543  167.508  287.535  279.040  220.322  209.444  256.718  118.637  247.671  109.625 9.047165 161.5310 
1 1 1  -19   18   11 o  304.459   85.650  265.924  106.038  265.924  106.038   0.0000   0.0000  304.459   85.650  ?   ?       ?      ? 
1 1 1  -19   18   12 o  196.354   53.420   62.931   22.634   61.326   22.810  165.821  182.622  168.273   35.835  224.434  100.651 -56.16154 106.8400 
1 1 1  -19   18   13 o  260.356   55.696  168.723   37.165  166.089   37.854  239.085  195.646  281.449   34.465  239.262  105.925 42.18671 111.3911 
1 1 1  -19   18   14 o  269.839   52.532  216.038   38.707  218.021   39.417  162.451  204.917  324.074   31.168  215.603  100.334 108.4712 105.0631 
1 1 1  -19   18   15 o  154.432   47.784   34.094   18.684   34.258   18.778   17.811  187.014  125.217   36.311  183.646   88.401 -58.42970 95.56821 
1 1 1  -19   18   16 o  142.745   47.299   21.962   17.181   22.089   17.252   6.5959  189.646  104.197   35.461  181.292   87.699 -77.09505 94.59743 
1 1 1  -19   18   17 o  144.613   49.940 -46.6520   72.276 -34.6996   78.858 -109.4139  180.704  128.149   60.460  161.077   79.502 -32.92830 99.87992 
1 1 1  -19   18   18 o  159.709   53.978  -4.6580   78.144 -10.1126   87.373   17.149  174.698  141.174   65.637  178.244   85.710 -37.07022 107.9556 
1 1 1  -19   18   19 o  195.141   44.874  108.047   33.818  114.608   34.503 -52.3092  170.566  226.555   40.513  163.727   80.084 62.82799 89.74808 
1 1 1  -19   18   20 o  209.615   51.351  103.461   31.048  101.047   31.558  176.362  173.437  212.518   39.506  206.713   94.799 5.804367 102.7012 
1 1 1  -19   19    1 o  206.464   61.735   84.039   84.406   44.907  108.781  143.243  133.803  182.908   80.048  230.020   94.006 -47.11221 123.4695 
1 1 1  -19   19    2 o  189.652   56.428   64.252   72.099  100.311  102.511   28.954  101.425  206.271   83.014  173.034   76.452 33.23679 112.8554 
1 1 1  -19   19    3 o  241.498   63.997  166.346   85.817  213.625  112.633  100.915  132.501  271.654   90.615  211.343   90.395 60.31070 127.9936 
1 1 1  -19   19    4 o  218.573   61.161  107.606   88.459  209.666  117.356 -26.6735  134.612  266.164   92.414  170.982   80.140 95.18147 122.3224 
1 1 1  -19   19    5 o  253.686   68.965  204.075   99.340  234.298  124.332  150.721  165.195  276.634   95.174  230.738   99.833 45.89665 137.9301 
1 1 1  -19   19    6 o  269.928   74.616  228.827  108.232  163.155  131.832  364.612  189.565  234.698   94.251  305.159  115.701 -70.46143 149.2312 
1 1 1  -19   19    7 o  214.514   63.219  120.303   85.073  115.419  104.207  130.062  147.311  210.081   83.998  218.946   94.503 -8.864868 126.4376 
1 1 1  -19   19    8 o  135.709   64.518 -57.1559   93.120 -57.1559   93.120   0.0000   0.0000  135.709   64.518  ?   ?       ?      ? 
1 1 1  -19   19    9 o  308.635   79.778  263.447   96.786  263.447   96.786   0.0000   0.0000  308.635   79.778  ?   ?       ?      ? 
1 1 1  -19   19   10 o  196.262   65.142   59.023  125.409  103.558  188.773   23.840  167.786  206.737   96.238  185.788   87.818 20.94931 130.2834 
1 1 1  -19   19   11 o  190.152   63.617   39.594  126.050 -24.6941  178.859  103.031  177.671  177.310   85.627  202.993   94.110 -25.68375 127.2347 
1 1 1  -19   19   12 o  228.507   63.742  173.039   80.479  176.598   87.706  154.079  202.453  243.952   79.894  213.062   99.344 30.89058 127.4842 
1 1 1  -19   19   13 o  129.361   46.371   8.6032   12.749   8.6162   12.778   5.7776  188.676   76.962   29.819  181.760   87.817 -104.7980 92.74146 
1 1 1  -19   19   14 o  275.170   55.026  219.248   39.851  218.460   40.508  242.949  222.171  323.258   32.112  227.082  105.264 96.17567 110.0528 
1 1 1  -19   19   15 o  183.486   60.481   27.678   70.889  -5.3996   76.192  240.781  193.390  136.512   62.688  230.460  103.449 -93.94887 120.9611 
1 1 1  -19   19   16 o  163.244   49.857   36.114   68.294  100.716   75.668 -247.7551  158.616  191.147   72.948  135.340   67.981 55.80739 99.71424 
1 1 1  -19   19   17 o  215.443   46.917  124.978   32.188  127.147   32.855   73.192  160.520  244.823   34.389  186.063   87.306 58.75990 93.83433 
1 1 1  -19   19   18 o  135.308   40.252   33.880   22.976   38.680   23.256 -162.1652  148.617  131.353   40.946  139.263   69.314 -7.910294 80.50478 
1 1 1  -19   20    1 o  322.654   77.882  352.556  109.646  292.486  129.988  500.708  204.141  300.752   97.185  344.555  121.727 -43.80353 155.7633 
1 1 1  -19   20    2 o  202.107   59.357   95.749   83.732  160.760  108.026  -2.0898  132.523  232.377   87.521  171.837   80.207 60.53969 118.7146 
1 1 1  -19   20    3 o  208.983   61.488   92.190   81.907   23.941  102.321  213.940  136.662  166.518   74.954  251.447   97.494 -84.92842 122.9763 
1 1 1  -19   20    4 o  175.867   55.014   46.973   74.148   47.066   99.055   46.855  111.826  173.645   76.179  178.088   79.391 -4.442902 110.0286 
1 1 1  -19   20    5 f  252.153   56.703  184.693   83.364  322.901  107.965 -19.3596  131.186  339.169   82.388  165.137   77.932 174.0319 113.4069 
1 1 1  -19   20    6 o  264.742   87.749  217.193  105.684  217.193  105.684   0.0000   0.0000  264.742   87.749  ?   ?       ?      ? 
1 1 1  -19   20    7 o  165.463   70.457   49.833   79.848   49.833   79.848   0.0000   0.0000  165.463   70.457  ?   ?       ?      ? 
1 1 1  -19   20    8 o  252.186   61.067  196.673   69.919  190.296   82.780  212.548  130.607  259.603   76.515  244.770   95.197 14.83337 122.1349 
1 1 1  -19   20    9 o  177.287   57.143   49.898   84.427   12.833  158.958   64.463   99.643  177.680   84.420  176.894   77.034 0.7859497 114.2851 
1 1 1  -19   20   10 o  167.537   55.335   16.197   86.188   17.244  147.234   15.651  106.306  174.618   82.454  160.457   73.819 14.16107 110.6698 
1 1 1  -19   20   11 o  168.550   51.559   53.952   64.671   86.999   73.231 -63.1349  137.841  183.217   71.276  153.882   74.519 29.33476 103.1183 
1 1 1  -19   20   12 o  168.814   54.621   42.539   70.074   56.744   75.391 -47.6485  189.960  164.912   69.252  172.715   84.488 -7.803070 109.2428 
1 1 1  -19   20   13 f  160.677   53.273   17.340   72.127   35.726   77.630 -98.7292  195.046  154.785   67.684  166.570   82.285 -11.78537 106.5454 
1 1 1  -19   20   14 o  140.424   48.152 -31.5743   60.935 -26.3070   66.078 -61.5152  157.543  120.717   56.442  160.132   78.029 -39.41562 96.30299 
1 1 1  -19   20   15 o  138.984   44.962   20.160   17.553   19.599   17.698   53.894  137.320  100.319   35.798  177.649   82.492 -77.32981 89.92476 
1 1 1  -19   20   16 o  194.760   42.408  103.987   28.762  108.728   29.368  -7.4248  142.357  226.702   33.196  162.819   78.049 63.88332 84.81560 
1 1 1  -19   20   17 o  236.339   66.815  160.419   72.598  111.673   79.275  413.767  180.727  193.253   74.442  279.426  110.974 -86.17357 133.6298 
1 1 1  -19   21    1 o  206.163   67.199  116.055  113.148  119.526  269.087  115.310  124.709  210.350  102.384  201.976   87.066 8.373657 134.3986 
1 1 1  -19   21    2 o  204.137   99.343   82.011  253.029   82.011  253.029   0.0000   0.0000  204.137   99.343  ?   ?       ?      ? 
1 1 1  -19   21    3 o  216.000   77.474  134.521   82.993  134.521   82.993   0.0000   0.0000  216.000   77.474  ?   ?       ?      ? 
1 1 1  -19   21    4 o  154.036   65.951   38.078   70.656   38.078   70.656   0.0000   0.0000  154.036   65.951  ?   ?       ?      ? 
1 1 1  -19   21    5 o  304.873   68.580  258.639   75.776  210.589   83.597  479.992  179.426  273.572   75.728  336.173  114.360 -62.60089 137.1605 
1 1 1  -19   21    6 o  160.839   50.265   38.266   59.274   38.113   71.881   38.592  104.779  154.113   66.266  167.566   75.598 -13.45219 100.5294 
1 1 1  -19   21    7 o  150.440   50.303 -20.6322   76.490 -169.0158  161.811   22.066   86.800  147.170   73.096  153.710   69.127 -6.540298 100.6054 
1 1 1  -19   21    8 f  188.481   59.977   83.668   93.882   14.201  171.195  113.544  112.270  178.938   85.727  198.024   83.903 -19.08568 119.9537 
1 1 1  -19   21    9 o  205.282   56.905  121.071   63.109  112.153   75.239  142.237  115.912  200.152   73.480  210.411   86.911 -10.25879 113.8100 
1 1 1  -19   21   10 o  269.100   64.020  223.782   71.638  198.887   81.240  310.822  151.904  264.281   75.187  273.918  103.640 -9.636871 128.0403 
1 1 1  -19   21   11 o  172.292   79.150   42.326  121.618   0.0000   0.0000   42.326  121.618  ?   ?   172.292   79.150      ?      ? 
1 1 1  -19   21   12 o  123.106   42.094 -52.4722   55.377 -25.1817   62.110 -158.2715  122.291  117.554   54.883  128.657   63.840 -11.10255 84.18848 
1 1 1  -19   21   13 o  168.367   50.086   65.435   56.723   88.479   62.493 -42.3676  135.163  182.430   66.968  154.304   74.497 28.12613 100.1727 
1 1 1  -19   21   14 o  178.381   53.386   79.781   56.790   80.290   62.446   77.348  136.562  175.077   66.400  181.685   83.615 -6.608292 106.7727 
1 1 1  -19   21   15 f  216.596   53.520  158.953   60.916  177.107   66.727   68.138  149.244  254.620   66.449  178.573   83.916 76.04614 107.0396 
1 1 1  -19   22    1 o  210.930   69.740  136.164  119.348  287.736  293.076  106.032  130.673  226.292  109.360  195.569   86.575 30.72307 139.4808 
1 1 1  -19   22    2 o  175.864   61.508 -20.8481   96.517  166.705  278.520 -46.4445  102.892  211.286  103.129  140.442   67.060 70.84410 123.0152 
1 1 1  -19   22    3 o  185.612   92.318 -50.7479  261.733 -50.7479  261.733   0.0000   0.0000  185.612   92.318  ?   ?       ?      ? 
1 1 1  -19   22    4 o  186.993   63.111   50.080  116.969   79.650  234.165   40.249  135.020  198.003   96.175  175.984   81.745 22.01837 126.2214 
1 1 1  -19   22    5 o  172.607   58.383   6.6437  106.900 -46.1179  201.772   27.233  126.044  175.391   86.061  169.823   78.916 5.568420 116.7657 
1 1 1  -19   22    6 o  114.093   56.241 -123.5057   89.452   0.0000   0.0000 -123.5057   89.452  ?   ?   114.093   56.241      ?      ? 
1 1 1  -19   22    7 o  158.878   51.238   16.009   60.961  -7.6018   70.614   85.094  120.787  131.561   60.391  186.194   82.791 -54.63306 102.4762 
1 1 1  -19   22    8 o  139.814   47.167 -44.0892   58.014 -74.4480   66.633   51.015  117.936  105.989   51.440  173.640   79.075 -67.65079 94.33415 
1 1 1  -19   22    9 o  140.562   46.688  -8.9907   58.606   3.0773   66.647 -50.1462  123.077  132.703   60.042  148.422   71.513 -15.71954 93.37646 
1 1 1  -19   22   10 o  166.830   52.513   52.645   60.324   57.424   66.326   29.769  145.124  160.816   66.007  172.845   81.691 -12.02901 105.0259 
1 1 1  -19   22   11 o  163.504   55.839 -19.0621  107.954 -54.0121  164.324   7.4756  143.189  160.798   78.642  166.210   79.293 -5.411148 111.6779 
1 1 1  -19   22   12 o  156.936   50.900   33.839   53.457   33.878   56.978   33.555  154.469  141.128   59.783  172.745   82.396 -31.61649 101.7997 
1 1 1  -19   23    1 f  197.517   65.610  111.094  126.870  115.412  209.647  108.599  159.363  199.430   95.364  195.605   90.134 3.825027 131.2194 
1 1 1  -19   23    2 o  182.448   61.616   41.125  113.535  102.517  207.608   14.930  135.611  196.930   94.362  167.966   79.257 28.96474 123.2315 
1 1 1  -19   23    3 o  179.984   88.036  -2.9822  206.122  -2.9822  206.122   0.0000   0.0000  179.984   88.036  ?   ?       ?      ? 
1 1 1  -19   23    4 o  187.424   63.182   67.226  126.099   69.593  205.548   65.798  159.678  190.448   91.928  184.401   86.702 6.046906 126.3644 
1 1 1  -19   23    5 o  174.220   59.996  -9.5011  130.517 -10.4655  197.584  -8.7546  173.844  176.490   86.299  171.949   83.369 4.540741 119.9912 
1 1 1  -19   23    6 o  184.886   60.870   73.114   94.231   57.917  106.885  126.141  199.658  171.393   76.923  198.378   94.359 -26.98457 121.7407 
1 1 1  -19   23    7 o  183.923   56.347   91.636   79.538  128.565   89.606 -45.5467  172.705  203.483   78.931  164.363   80.435 39.12012 112.6940 
1 1 1  -19   23    8 o  149.583   52.639 -83.7462   68.052 -122.8279   73.713  141.766  177.069  100.255   49.716  198.910   92.799 -98.65514 105.2777 
1 1 1  -19   23    9 o  149.564   52.405 -53.3224   61.955 -79.9913   66.120  138.577  177.365  102.809   50.196  196.318   92.007 -93.50866 104.8090 
1 1 1  -19   24    1 o  234.334  107.262  339.898  220.599  339.898  220.599   0.0000   0.0000  234.334  107.262  ?   ?       ?      ? 
1 1 1  -19   24    2 o  239.122  109.736  383.128  232.940   0.0000   0.0000  383.128  232.940  ?   ?   239.122  109.736      ?      ? 
1 1 1  -18    0    1 o  168.738   18.424   59.556   15.939   59.556   15.939   59.556   15.939  168.738   26.055  168.738   26.055 -0.000000 0.000000 
1 1 1  -18    0    2 o  591.592   27.821  697.289   89.912  697.289   89.912  697.289   89.912  591.592   39.345  591.592   39.345 0.000000 0.000000 
1 1 1  -18    0    3 o  177.016   18.140   65.061   16.638   65.061   16.638   65.061   16.638  177.016   25.653  177.016   25.653 -0.000000 0.000000 
1 1 1  -18    0    4 o  351.521   17.241  245.311   33.079  245.311   33.079  245.311   33.079  351.521   24.383  351.521   24.383 0.000000 0.000000 
1 1 1  -18    0    5 o  480.383   18.170  455.711   47.857  455.711   47.857  455.711   47.857  480.383   25.697  480.383   25.697 0.000000 0.000000 
1 1 1  -18    0    6 o  226.639   17.915  104.258   21.690  104.258   21.690  104.258   21.690  226.639   25.336  226.639   25.336 0.000000 0.000000 
1 1 1  -18    0    7 o  310.925   24.643  196.846   40.922  196.846   40.922  196.846   40.922  310.925   34.851  310.925   34.851 0.000000 0.000000 
1 1 1  -18    0    8 o  103.058   29.896   29.199   16.790   29.199   16.790   29.199   16.790  103.058   42.279  103.058   42.279 -0.000000 0.000000 
1 1 1  -18    0    9 o  1063.36   26.602  2232.93  155.670  2232.93  155.670  2232.93  155.670  1063.36   37.621  1063.36   37.621 0.000000 0.000000 
1 1 1  -18    0   10 o  562.338   19.181  624.038   59.210  624.038   59.210  624.038   59.210  562.338   27.125  562.338   27.125 0.000000 0.000000 
1 1 1  -18    0   11 o  661.607   20.445  863.373   74.327  863.373   74.327  863.373   74.327  661.607   28.914  661.607   28.914 0.000000 0.000000 
1 1 1  -18    0   12 o  287.840   17.388  165.775   27.158  165.775   27.158  165.775   27.158  287.840   24.591  287.840   24.591 0.000000 0.000000 
1 1 1  -18    0   13 o  190.241   19.554   75.271   19.265   75.271   19.265   75.271   19.265  190.241   27.653  190.241   27.653 0.000000 0.000000 
1 1 1  -18    0   14 o   23.135   11.804 -14.2206   7.6699 -14.2206   7.6699 -14.2206   7.6699   23.135   16.693   23.135   16.693 0.000000 0.000000 
1 1 1  -18    0   15 o  186.321   37.647   83.454   33.553   83.454   33.553   83.454   33.553  186.321   53.241  186.321   53.241 0.000000 0.000000 
1 1 1  -18    0   16 o  270.769   18.888  148.012   27.594  148.012   27.594  148.012   27.594  270.769   26.711  270.769   26.711 0.000000 0.000000 
1 1 1  -18    0   17 o  169.163   24.349   62.792   20.114   62.792   20.114   62.792   20.114  169.163   34.435  169.163   34.435 0.000000 0.000000 
1 1 1  -18    0   18 o  317.824   18.737  202.667   32.339  202.667   32.339  202.667   32.339  317.824   26.498  317.824   26.498 0.000000 0.000000 
1 1 1  -18    0   19 o  134.039   34.527   47.576   23.513   47.576   23.513   47.576   23.513  134.039   48.829  134.039   48.829 0.000000 0.000000 
1 1 1  -18    0   20 f  617.831   20.544  759.030   69.695  759.030   69.695  759.030   69.695  617.831   29.053  617.831   29.053 0.000000 0.000000 
1 1 1  -18    0   21 o   46.417   21.567  -2.1422   13.947  -2.1422   13.947  -2.1422   13.947   46.417   30.500   46.417   30.500 -0.000000 0.000000 
1 1 1  -18    0   22 o  516.670   20.006  533.339   56.655  533.339   56.655  533.339   56.655  516.670   28.293  516.670   28.293 -0.000000 0.000000 
1 1 1  -18    0   23 o   94.388   31.647   26.394   18.735   26.394   18.735   26.394   18.735   94.388   44.756   94.388   44.756 0.000000 0.000000 
1 1 1  -18    0   24 o   45.628   21.855  -7.7569   16.347  -7.7569   16.347  -7.7569   16.347   45.628   30.907   45.628   30.907 0.000000 0.000000 
1 1 1  -18    0   25 o  300.406   22.141  185.599   35.795  185.599   35.795  185.599   35.795  300.406   31.312  300.406   31.312 -0.000000 0.000000 
1 1 1  -18    0   26 o  610.679   33.394  782.889  110.999  782.889  110.999  782.889  110.999  610.679   47.227  610.679   47.227 0.000000 0.000000 
1 1 1  -18    0   27 o  264.858   25.870  149.575   35.757  149.575   35.757  149.575   35.757  264.858   36.585  264.858   36.585 -0.000000 0.000000 
1 1 1  -18    0   28 o   63.179   28.695   2.5981   22.814   2.5981   22.814   2.5981   22.814   63.179   40.581   63.179   40.581 0.000000 0.000000 
1 1 1  -18    0   29 o   88.105   34.995   23.106   25.743   23.106   25.743   23.106   25.743   88.105   49.490   88.105   49.490 0.000000 0.000000 
1 1 1  -18    0   30 o  430.871   28.976  393.141   67.469  393.141   67.469  393.141   67.469  430.871   40.978  430.871   40.978 -0.000000 0.000000 
1 1 1  -18    0   31 o  335.070   25.486  237.069   45.750  237.069   45.750  237.069   45.750  335.070   36.043  335.070   36.043 0.000000 0.000000 
1 1 1  -18    1    1 o  252.896   16.346  125.456   16.127  121.001   22.637  130.048   22.980  248.323   23.359  257.469   22.872 -9.145981 32.69212 
1 1 1  -18    1    2 o  669.551   28.922  879.677   75.096  797.685   99.665  987.369  114.222  634.049   40.280  705.053   41.514 -71.00458 57.84359 
1 1 1  -18    1    3 o  182.072   20.118   60.464   13.556   80.835   24.355   51.321   16.316  202.531   30.816  161.613   25.871 40.91858 40.23566 
1 1 1  -18    1    4 o  386.221   17.155  292.863   25.855  290.669   36.401  295.096   36.730  384.763   24.243  387.679   24.278 -2.915527 34.30961 
1 1 1  -18    1    5 o  802.515   27.471  1265.57   80.371  1309.94  142.649  1244.93   97.281  810.484   45.102  794.547   31.375 15.93744 54.94105 
1 1 1  -18    1    6 o  661.219   20.207  860.675   52.138  851.651   73.213  869.960   74.265  657.714   28.525  664.724   28.629 -7.010437 40.41411 
1 1 1  -18    1    7 o  484.837   25.465  464.620   48.141  487.220   69.733  444.042   66.541  496.082   36.021  473.593   36.004 22.48843 50.92934 
1 1 1  -18    1    8 o  430.163   21.028  346.475   33.021  316.470   39.459  416.590   60.318  401.261   25.199  459.066   33.670 -57.80490 42.05521 
1 1 1  -18    1    9 o  328.324   16.656  211.683   21.336  210.150   29.830  213.289   30.531  327.125   23.367  329.524   23.742 -2.399353 33.31216 
1 1 1  -18    1   10 o  438.137   17.759  377.230   30.356  367.102   42.374  387.907   43.508  432.097   25.130  444.177   25.100 -12.07974 35.51791 
1 1 1  -18    1   11 o  222.515   17.310   97.313   15.028   96.588   20.989   98.077   21.526  221.678   24.263  223.351   24.697 -1.672852 34.62089 
1 1 1  -18    1   12 o  359.738   17.417  254.460   24.450  254.044   34.412  254.883   34.746  359.453   24.532  360.023   24.731 -0.5703430 34.83500 
1 1 1  -18    1   13 o  426.283   17.898  357.518   29.767  368.014   42.375  347.293   41.824  432.487   25.107  420.078   25.513 12.40875 35.79514 
1 1 1  -18    1   14 o  216.003   30.102   96.044   24.430   90.546   33.335  102.424   35.908  209.262   42.275  222.744   42.865 -13.48195 60.20477 
1 1 1  -18    1   15 o  205.872   25.169   83.101   18.402   93.027   33.180   78.692   22.115  212.143   41.566  199.601   28.392 12.54214 50.33731 
1 1 1  -18    1   16 o  122.457   20.459   27.512   11.886  -0.6545   16.567   57.388   17.062   74.367   31.890  170.547   25.637 -96.17986 40.91714 
1 1 1  -18    1   17 o  353.743   18.326  247.109   25.284  236.635   35.177  258.304   36.367  345.971   26.055  361.514   25.778 -15.54309 36.65197 
1 1 1  -18    1   18 o  161.586   24.042   54.158   14.680   51.581   20.870   56.681   20.653  157.522   34.872  165.650   33.106 -8.128418 48.08438 
1 1 1  -18    1   19 o  592.913   28.153  714.100   65.138  707.244   91.938  721.011   92.300  589.986   39.932  595.840   39.696 -5.853882 56.30549 
1 1 1  -18    1   20 o  383.235   18.647  292.486   27.881  284.723   39.113  300.506   39.756  378.024   26.513  388.446   26.226 -10.42239 37.29321 
1 1 1  -18    1   21 o  284.104   19.482  161.443   21.576  151.298   30.058  172.227   30.991  274.778   28.031  293.430   27.064 -18.65149 38.96437 
1 1 1  -18    1   22 o  192.632   22.956   76.306   16.761   88.320   24.189   65.209   23.247  209.292   29.616  175.973   35.083 33.31906 45.91213 
1 1 1  -18    1   23 o  144.657   26.465   44.193   15.355   57.987   22.343   31.847   21.137  165.312   35.680  124.003   39.097 41.30862 52.93087 
1 1 1  -18    1   24 o  244.044   22.902  121.635   21.638  140.804   30.983  103.383   30.233  263.559   30.124  224.530   34.505 39.02855 45.80419 
1 1 1  -18    1   25 o  383.558   20.987  298.851   31.407  294.860   43.895  303.038   44.956  381.016   29.521  386.100   29.837 -5.083923 41.97349 
1 1 1  -18    1   26 o  178.151   44.938   73.967   39.390   74.419   53.919   73.450   57.685  178.359   62.600  177.944   64.489 0.4150085 89.87518 
1 1 1  -18    1   27 o  477.290   21.431  469.776   39.913  478.517   56.765  461.227   56.132  481.779   30.193  472.801   30.423 8.977783 42.86188 
1 1 1  -18    1   28 o  250.742   24.783  132.967   24.222  129.754   34.774  135.996   33.760  247.244   36.041  254.239   34.028 -6.994904 49.56628 
1 1 1  -18    1   29 o  260.063   25.581  144.056   25.944  142.211   37.189  145.805   36.211  257.976   36.941  262.150   35.396 -4.173615 51.16158 
1 1 1  -18    1   30 o  289.739   29.687  185.463   33.325  164.465   47.473  205.862   46.793  271.169   44.862  308.309   38.892 -37.14069 59.37315 
1 1 1  -18    1   31 o  372.635   24.298  295.532   35.303  282.710   48.746  309.674   51.195  364.210   34.297  381.061   34.427 -16.85043 48.59569 
1 1 1  -18    2    1 o  276.624   16.591  150.233   17.833  168.792   25.557  132.620   24.897  293.357   22.324  259.890   24.548 33.46689 33.18120 
1 1 1  -18    2    2 o  507.168   26.045  508.768   51.529  498.959   71.724  519.232   74.080  502.164   36.600  512.173   37.064 -10.00928 52.08963 
1 1 1  -18    2    3 o  326.376   20.169  206.051   24.277  220.564   42.487  199.015   29.582  334.339   32.564  318.413   23.807 15.92639 40.33804 
1 1 1  -18    2    4 o  386.421   17.027  293.213   25.672  296.489   36.125  289.871   36.488  388.627   23.820  384.215   24.335 4.412781 34.05310 
1 1 1  -18    2    5 o  1342.34   39.313  3631.28  193.599  3643.15  336.233  3625.39  236.790  1336.42   64.471  1348.26   45.005 -11.83594 78.62520 
1 1 1  -18    2    6 o  503.179   18.269  497.699   35.873  499.379   50.704  496.015   50.761  504.038   25.778  502.320   25.895 1.717407 36.53835 
1 1 1  -18    2    7 o  359.408   23.848  254.936   33.423  265.856   48.386  244.971   46.222  366.746   33.808  352.069   33.643 14.67783 47.69505 
1 1 1  -18    2    8 o  188.371   21.264   73.407   14.441   79.803   18.304   62.864   23.502  201.601   23.266  175.141   35.600 26.45978 42.52853 
1 1 1  -18    2    9 o  703.502   20.867  974.572   57.249  943.586   79.253  1008.39   82.788  691.860   29.354  715.144   29.665 -23.28387 41.73312 
1 1 1  -18    2   10 o  817.272   22.586  1319.40   72.027  1309.40  101.127  1329.70  102.613  814.163   31.829  820.380   32.052 -6.217590 45.17107 
1 1 1  -18    2   11 o  284.772   17.417  159.327   19.346  156.333   26.834  162.567   27.915  282.010   24.383  287.533   24.878 -5.523651 34.83495 
1 1 1  -18    2   12 o  247.999   17.454  121.159   16.817  135.322   23.941  107.364   23.629  262.431   23.378  233.566   25.924 28.86403 34.90792 
1 1 1  -18    2   13 o  684.219   20.700  923.529   55.258  944.845   79.163  903.274   77.169  691.903   29.319  676.534   29.230 15.36884 41.39982 
1 1 1  -18    2   14 o  359.191   26.158  257.076   36.584  265.099   50.616  248.301   52.938  365.339   35.503  353.043   38.424 12.29642 52.31520 
1 1 1  -18    2   15 o  770.186   22.104  1174.01   66.402  1146.99   92.129  1203.23   95.791  761.057   31.020  779.314   31.498 -18.25708 44.20819 
1 1 1  -18    2   16 o  460.436   18.672  418.422   33.538  410.238   46.660  427.169   48.240  455.817   26.231  465.055   26.581 -9.237183 37.34462 
1 1 1  -18    2   17 o  262.307   18.927  136.104   19.370  132.920   27.080  139.440   27.718  259.165   26.776  265.448   26.757 -6.282776 37.85386 
1 1 1  -18    2   18 o  527.112   19.319  551.082   39.727  539.773   55.333  563.114   57.073  521.577   27.185  532.646   27.457 -11.06915 38.63879 
1 1 1  -18    2   19 o  159.552   27.802   52.474   17.105   63.536   26.372   44.440   22.474  173.616   39.778  145.487   38.852 28.12965 55.60371 
1 1 1  -18    2   20 o  468.782   19.207  437.276   35.090  413.136   48.181  464.542   51.206  455.053   27.132  482.510   27.194 -27.45660 38.41442 
1 1 1  -18    2   21 o  281.241   20.135  158.497   22.077  149.167   30.695  168.496   31.776  272.572   28.857  289.909   28.087 -17.33685 40.26918 
1 1 1  -18    2   22 o  570.884   20.449  656.407   45.550  663.675   64.145  649.015   64.694  574.252   28.624  567.516   29.211 6.736206 40.89793 
1 1 1  -18    2   23 o  432.048   19.549  375.381   32.948  368.994   45.858  382.196   47.370  428.351   27.434  435.745   27.858 -7.393829 39.09812 
1 1 1  -18    2   24 o  351.409   20.535  249.546   28.151  242.875   39.189  256.658   40.464  346.588   28.975  356.229   29.108 -9.641876 41.07098 
1 1 1  -18    2   25 o  273.960   22.069  153.352   23.564  145.355   33.401  161.276   33.249  266.485   32.118  281.435   30.274 -14.95007 44.13708 
1 1 1  -18    2   26 o  245.884   44.756  147.633   42.618  143.653   54.999  153.613   67.421  245.613   58.262  246.156   67.955 -0.5433044 89.51172 
1 1 1  -18    2   27 o  436.043   21.722  392.647   36.936  413.339   52.932  373.010   51.565  447.555   30.307  424.530   31.125 23.02563 43.44306 
1 1 1  -18    2   28 o  555.586   22.351  643.199   48.459  644.596   68.307  641.783   68.758  556.359   31.461  554.813   31.757 1.545898 44.70282 
1 1 1  -18    2   29 o  292.329   23.836  179.089   27.122  196.366   39.940  164.302   36.948  305.480   33.504  279.178   33.914 26.30127 47.67231 
1 1 1  -18    2   30 o  554.990   42.110  678.838   91.201   0.0000   0.0000  678.838   91.201  ?   ?   554.990   42.110      ?      ? 
1 1 1  -18    2   31 o  179.329   33.831   76.386   24.061   81.559   35.555   72.016   32.680  184.443   48.685  174.216   46.990 10.22646 67.66296 
1 1 1  -18    3    1 o  829.553   28.096  1339.07   83.906  1298.88  100.170  1433.57  153.609  811.598   31.627  847.507   46.445 -35.90887 56.19131 
1 1 1  -18    3    2 o  409.772   24.285  329.694   38.834   0.0000   0.0000  329.694   38.834  ?   ?   409.772   24.285      ?      ? 
1 1 1  -18    3    3 o  866.547   23.274  1481.52   78.682  1513.27  112.947  1451.58  109.671  875.520   33.058  857.575   32.771 17.94495 46.54851 
1 1 1  -18    3    4 o  502.125   22.311  459.895   39.548  415.391   45.957  586.902   77.637  459.758   25.615  544.493   36.538 -84.73566 44.62223 
1 1 1  -18    3    6 o  1122.25   27.645  2499.71  121.065  2515.13  172.130  2484.61  170.308  1125.63   39.186  1118.87   39.005 6.760864 55.28960 
1 1 1  -18    3    7 o  422.381   24.642  352.050   40.563  372.308   59.239  334.165   55.659  433.767   34.996  410.995   34.703 22.77219 49.28500 
1 1 1  -18    3    8 o  346.600   16.757  236.196   22.637  248.308   31.897  223.906   32.131  355.629   22.984  337.571   24.391 18.05768 33.51351 
1 1 1  -18    3    9 o  552.624   18.930  599.158   40.758  565.989   55.785  637.137   59.693  536.290   26.656  568.958   26.885 -32.66760 37.85937 
1 1 1  -18    3   10 o  323.094   17.085  205.192   21.533  206.685   30.094  203.625   30.823  324.335   23.777  321.853   24.541 2.482483 34.16994 
1 1 1  -18    3   11 o  454.550   18.017  404.346   31.876  372.868   43.327  441.484   47.062  435.363   25.502  473.737   25.457 -38.37415 36.03335 
1 1 1  -18    3   12 o  183.150   18.680   66.055   13.346   66.484   18.674   65.606   19.082  183.782   26.037  182.518   26.791 1.263763 37.35922 
1 1 1  -18    3   13 o  532.565   18.906  558.695   39.287  552.898   55.035  564.718   56.102  529.771   26.620  535.359   26.853 -5.587952 37.81213 
1 1 1  -18    3   14 o  332.976   26.736  221.535   34.507  227.742   46.598  213.997   51.347  338.598   35.266  327.354   40.195 11.24338 53.47207 
1 1 1  -18    3   15 o  127.558   22.340   32.459   11.591   49.898   17.139   17.757   15.737  156.434   29.147   98.681   33.865 57.75311 44.68053 
1 1 1  -18    3   16 o  885.208   24.005  1560.40   82.916  1550.91  116.340  1570.19  118.202  882.562   33.779  887.854   34.116 -5.291260 48.00967 
1 1 1  -18    3   17 o   89.951   23.130   12.369   10.590   18.905   16.079   7.3613   14.074  100.765   34.234   79.137   31.114 21.62753 46.26073 
1 1 1  -18    3   18 o  146.377   24.568   44.594   13.826   47.469   19.869   41.893   19.252  150.995   34.477  141.758   35.009 9.236664 49.13581 
1 1 1  -18    3   19 o  232.235   25.909  107.818   22.726  132.206   35.297   90.550   29.702  255.980   35.335  208.490   37.902 47.49007 51.81826 
1 1 1  -18    3   20 o  580.408   20.232  673.709   45.801  705.220   65.680  643.880   63.903  593.744   28.346  567.071   28.877 26.67291 40.46480 
1 1 1  -18    3   21 o  345.708   19.483  239.331   26.270  235.021   36.424  244.004   37.923  342.567   27.246  348.849   27.857 -6.282013 38.96629 
1 1 1  -18    3   22 o  135.357   26.782   38.972   14.698   37.043   21.671   40.615   20.001  132.476   39.178  138.239   36.527 -5.762405 53.56445 
1 1 1  -18    3   23 o  214.173   24.825   96.308   19.387   59.280   26.491  139.016   28.450  165.544   41.176  262.803   27.741 -97.25955 49.64907 
1 1 1  -18    3   24 o  269.441   21.474  147.356   22.577  144.333   31.798  150.429   32.061  266.587   30.565  272.295   30.172 -5.707886 42.94843 
1 1 1  -18    3   25 o  142.697   40.944   30.658   33.436   28.779   40.085   34.954   60.620  132.966   52.436  152.429   62.897 -19.46295 81.88748 
1 1 1  -18    3   26 f  154.864   29.940   53.672   19.401   34.715   28.113   70.908   26.806  129.655   45.219  180.072   39.254 -50.41711 59.88075 
1 1 1  -18    3   27 f  218.384   27.432  103.605   22.733   97.523   33.251  108.944   31.151  209.223   42.182  227.546   35.081 -18.32314 54.86367 
1 1 1  -18    3   28 o  379.428   22.634  300.593   33.498  312.203   47.585  289.187   47.165  387.082   31.502  371.773   32.509 15.30835 45.26802 
1 1 1  -18    3   29 o  127.360   31.461   33.538   18.902   41.277   30.241   28.576   24.215  136.677   46.943  118.043   41.900 18.63412 62.92230 
1 1 1  -18    3   30 o  409.311   29.374  367.055   46.631  381.321   70.342  355.871   62.283  414.120   43.527  404.502   39.456 9.617462 58.74811 
1 1 1  -18    3   31 o  295.222   27.110  190.255   30.989  163.758   43.385  217.855   44.279  272.092   40.859  318.352   35.642 -46.25943 54.22013 
1 1 1  -18    4    1 o  597.559   24.104  719.990   53.256  754.880   66.496  657.577   88.937  619.461   27.508  575.657   39.590 43.80408 48.20822 
1 1 1  -18    4    2 o  217.680   20.430   94.216   16.556   90.143   27.631   96.497   20.679  213.664   33.138  221.696   23.902 -8.031937 40.85916 
1 1 1  -18    4    3 o  416.520   17.440  339.915   28.311  319.413   38.971  362.827   41.198  403.242   24.766  429.797   24.563 -26.55499 34.88061 
1 1 1  -18    4    4 o  815.153   27.810  1332.93   83.981  1366.09  104.389  1272.10  141.392  831.966   32.153  798.340   45.384 33.62518 55.61943 
1 1 1  -18    4    5 o  472.328   18.063  438.452   33.290  434.579   46.682  442.458   47.487  470.221   25.440  474.436   25.649 -4.214935 36.12529 
1 1 1  -18    4    6 o  769.389   27.007  1166.14   76.234  1198.85  133.451  1150.29   92.880  775.222   44.113  763.556   31.171 11.66656 54.01449 
1 1 1  -18    4    7 o  727.174   30.089  1049.28   85.167  1114.95  126.058  994.132  115.519  747.789   43.198  706.559   41.896 41.23004 60.17753 
1 1 1  -18    4    8 o  599.139   19.549  706.810   45.703  705.461   64.207  708.196   65.070  598.591   27.487  599.688   27.805 -1.096680 39.09779 
1 1 1  -18    4    9 o  466.275   18.145  427.007   32.987  413.144   45.495  442.374   47.900  458.340   25.436  474.211   25.884 -15.87036 36.28996 
1 1 1  -18    4   10 o  267.659   17.748  140.336   18.500  132.145   25.199  149.912   27.246  259.237   24.909  276.082   25.289 -16.84555 35.49601 
1 1 1  -18    4   11 f  391.023   17.963  300.230   27.351  292.600   37.294  309.112   40.235  385.734   24.775  396.311   26.015 -10.57654 35.92527 
1 1 1  -18    4   12 o  169.168   19.240   56.342   12.694   55.121   17.599   57.666   18.328  167.273   26.961  171.062   27.456 -3.788559 38.47994 
1 1 1  -18    4   13 o  139.576   21.133   39.925   11.167   37.398   15.714   42.504   15.873  134.946   30.551  144.206   29.208 -9.260208 42.26651 
1 1 1  -18    4   14 o  507.501   27.631  514.736   54.549  564.477   77.500  465.899   76.792  532.335   37.307  482.666   40.770 49.66885 55.26246 
1 1 1  -18    4   15 o  327.100   18.206  210.721   23.219  202.954   32.029  219.325   33.709  320.779   25.586  333.421   25.907 -12.64166 36.41180 
1 1 1  -18    4   16 o  177.182   21.494   63.466   14.419   73.680   20.614   53.681   20.177  192.971   27.374  161.394   33.145 31.57773 42.98771 
1 1 1  -18    4   17 o  500.360   19.199  496.319   37.480  504.543   52.776  487.951   53.238  504.644   26.799  496.077   27.500 8.566467 38.39855 
1 1 1  -18    4   18 o  263.001   19.545  137.148   20.021  125.758   27.617  149.765   29.065  251.432   28.146  274.570   27.126 -23.13832 39.09017 
1 1 1  -18    4   19 o  328.707   25.213  217.868   32.188  224.256   48.184  212.720   43.256  332.564   37.127  324.850   34.121 7.713837 50.42523 
1 1 1  -18    4   20 o  241.381   20.917  117.062   19.656  126.674   27.873  107.555   27.722  251.511   28.399  231.251   30.719 20.26004 41.83482 
1 1 1  -18    4   21 o  233.561   20.865  109.767   19.002  116.060   27.186  103.756   26.570  240.226   28.999  226.897   30.008 13.32945 41.73034 
1 1 1  -18    4   22 f  177.510   25.432   67.005   16.987   60.609   24.583   72.851   23.500  168.382   38.279  186.639   33.495 -18.25723 50.86446 
1 1 1  -18    4   23 o  356.901   20.552  257.207   28.584  256.247   39.380  258.275   41.557  356.510   28.305  357.293   29.805 -0.7826538 41.10378 
1 1 1  -18    4   24 o   92.234   25.380   8.1680   12.851   23.066   22.166   0.6244   15.773  111.455   40.032   73.014   31.208 38.44118 50.75913 
1 1 1  -18    4   25 o  301.427   44.584  242.990   49.484  295.529   60.780  139.695   85.222  373.313   41.721  229.541   78.806 143.7715 89.16829 
1 1 1  -18    4   26 o  474.655   21.463  463.276   39.716  469.746   55.224  456.344   57.161  478.708   29.562  470.601   31.125 8.106659 42.92640 
1 1 1  -18    4   27 o  179.338   29.977   69.433   20.613   95.015   32.529   52.269   26.645  206.477   41.805  152.198   42.976 54.27878 59.95451 
1 1 1  -18    4   28 o  389.809   23.348  317.065   35.416  295.781   47.948  342.620   52.539  375.752   32.699  403.867   33.336 -28.11462 46.69570 
1 1 1  -18    4   29 o  156.180   30.905   58.097   20.773   33.263   32.583   75.101   26.963  128.423   48.126  183.936   38.785 -55.51329 61.80913 
1 1 1  -18    4   30 o  403.161   28.057  347.083   42.528  382.856   71.376  327.393   52.954  413.828   44.198  392.494   34.573 21.33408 56.11356 
1 1 1  -18    5    1 f  292.296   23.556  168.602   26.834  165.758   36.893  171.796   39.102  289.754   32.627  294.838   33.985 -5.083984 47.11185 
1 1 1  -18    5    2 o  523.895   38.668  544.492   79.055   0.0000   0.0000  544.492   79.055  ?   ?   523.895   38.668      ?      ? 
1 1 1  -18    5    3 o  765.565   21.764  1155.59   65.012  1144.90   91.015  1166.73   92.895  761.995   30.608  769.135   30.950 -7.139404 43.52846 
1 1 1  -18    5    4 o  529.083   23.552  554.083   45.096  555.771   54.488  550.415   80.346  531.613   26.265  526.553   39.101 5.060547 47.10355 
1 1 1  -18    5    5 o  611.364   28.166  735.980   67.198   0.0000   0.0000  735.980   67.198  ?   ?   611.364   28.166      ?      ? 
1 1 1  -18    5    6 o  195.244   21.564   62.551   14.525  141.015   27.003   30.603   17.231  267.784   25.840  122.705   34.529 145.0792 43.12704 
1 1 1  -18    5    7 o  263.461   31.879  137.082   32.775   0.0000   0.0000  137.082   32.775  ?   ?   263.461   31.879      ?      ? 
1 1 1  -18    5    8 f  537.643   18.933  568.660   39.707  559.617   55.204  578.355   57.155  533.259   26.528  542.027   27.021 -8.767822 37.86607 
1 1 1  -18    5    9 o  516.030   22.449  522.307   42.721  514.625   52.292  537.724   74.080  511.385   26.203  520.676   36.459 -9.291168 44.89819 
1 1 1  -18    5   10 o  214.801   17.496   91.711   14.449  108.868   20.334   74.214   20.535  235.480   22.128  194.123   27.107 41.35704 34.99159 
1 1 1  -18    5   11 f  434.572   18.163  370.307   30.743  349.357   41.930  394.661   45.209  421.356   25.500  447.788   25.871 -26.43268 36.32618 
1 1 1  -18    5   12 o  623.546   20.083  764.910   48.789  731.972   66.697  802.823   71.556  609.229   28.054  637.864   28.746 -28.63507 40.16698 
1 1 1  -18    5   13 f  410.657   23.550  330.711   34.126  325.909   40.294  342.893   64.179  406.801   25.382  414.512   39.676 -7.710876 47.10006 
1 1 1  -18    5   14 o  283.399   22.093  156.288   23.660  170.311   39.331  148.335   29.618  292.725   34.431  274.074   27.692 18.65070 44.18541 
1 1 1  -18    5   15 o  477.946   19.046  451.645   35.501  462.712   49.787  440.198   50.636  484.033   26.358  471.859   27.499 12.17371 38.09112 
1 1 1  -18    5   16 o  601.405   20.295  717.477   47.616  733.418   67.136  701.341   67.545  608.269   28.283  594.541   29.112 13.72742 40.58904 
1 1 1  -18    5   17 f  196.581   20.958   76.788   16.036   69.415   22.238   84.774   23.145  186.648   30.531  206.514   28.720 -19.86559 41.91652 
1 1 1  -18    5   18 o  290.297   24.507  160.614   27.016  220.206   44.381  125.535   34.051  330.887   34.371  249.706   34.944 81.18111 49.01478 
1 1 1  -18    5   19 o  362.873   19.115  263.177   26.943  293.006   38.222  233.717   37.985  383.783   25.521  341.963   28.464 41.81961 38.23022 
1 1 1  -18    5   20 o  539.179   20.404  583.416   42.870  584.713   59.109  581.976   62.269  540.227   28.038  538.130   29.652 2.097168 40.80893 
1 1 1  -18    5   21 f  208.884   23.697   90.476   18.516   70.461   25.838  111.605   26.547  182.282   37.572  235.486   28.888 -53.20354 47.39367 
1 1 1  -18    5   22 o  287.099   20.038  165.963   22.446  161.965   31.381  170.152   32.118  283.553   28.360  290.645   28.317 -7.091980 40.07653 
1 1 1  -18    5   23 o  230.469   22.251  108.543   19.869   95.206   28.318  121.474   27.885  215.792   33.628  245.145   29.148 -29.35312 44.50209 
1 1 1  -18    5   24 o  110.152   26.915   23.464   14.857   7.2953   24.508   32.858   18.681   95.781   39.795  124.524   36.248 -28.74330 53.82901 
1 1 1  -18    5   25 o  414.148   37.175  376.009   56.414  363.341   68.729  402.172   98.768  412.474   42.698  415.823   60.866 -3.349060 74.34958 
1 1 1  -18    5   26 o  128.298   29.805   35.677   17.354   27.113   28.400   40.780   21.924  120.227   44.955  136.368   39.145 -16.14132 59.60961 
1 1 1  -18    5   27 o   98.661   27.891   10.067   14.929   25.648   28.230   4.0179   17.590  117.697   44.643   79.625   33.445 38.07159 55.78158 
1 1 1  -18    5   28 o  278.188   26.242  165.822   28.304  145.486   39.926  186.367   40.130  259.426   39.438  296.950   34.630 -37.52411 52.48413 
1 1 1  -18    5   29 o  396.577   31.070  354.769   46.889  301.435   70.046  398.070   63.115  362.630   49.498  430.523   37.567 -67.89297 62.13962 
1 1 1  -18    5   30 o  133.410   33.590   38.091   21.018   41.266   37.361   36.621   25.422  138.064   51.574  128.756   43.050 9.307724 67.18035 
1 1 1  -18    6    1 o  270.756   25.268  140.895   26.226  123.581   33.468  168.443   42.215  249.986   34.307  291.526   37.107 -41.53923 50.53573 
1 1 1  -18    6    2 o  713.870   25.107  975.305   65.244  920.132   78.179  1101.90  118.423  683.340   29.317  744.400   40.766 -61.06036 50.21326 
1 1 1  -18    6    3 o  303.023   26.033  204.092   25.964  236.472   31.689  137.965   45.285  347.028   23.400  259.018   46.511 88.01059 52.06551 
1 1 1  -18    6    4 o  519.690   23.778  527.382   44.161  517.780   52.556  550.445   81.449  513.070   26.249  526.311   39.656 -13.24182 47.55669 
1 1 1  -18    6    5 o  355.396   39.625  251.038   54.956   0.0000   0.0000  251.038   54.956  ?   ?   355.396   39.625      ?      ? 
1 1 1  -18    6    6 o  297.054   22.713  172.890   26.150  204.059   38.775  146.889   35.415  321.547   30.901  272.561   33.296 48.98633 45.42580 
1 1 1  -18    6    7 o  559.641   27.425  616.737   59.894   0.0000   0.0000  616.737   59.894  ?   ?   559.641   27.425      ?      ? 
1 1 1  -18    6    8 o  160.206   17.630   51.375   10.709   57.440   15.113   45.260   15.176  171.030   22.644  149.382   27.028 21.64799 35.25978 
1 1 1  -18    6    9 o  481.265   21.978  455.314   39.151  450.720   48.161  464.267   67.226  478.609   25.786  483.920   35.599 -5.311554 43.95657 
1 1 1  -18    6   10 o  588.958   19.704  683.448   45.261  678.128   62.857  689.177   65.226  586.665   27.456  591.252   28.270 -4.587708 39.40789 
1 1 1  -18    6   11 o  224.102   18.519   97.520   16.035   80.465   21.430  119.216   24.171  202.071   27.176  246.133   25.165 -44.06265 37.03836 
1 1 1  -18    6   12 o  545.508   19.283  586.040   41.008  571.636   56.477  602.101   59.639  538.510   26.875  552.507   27.661 -13.99725 38.56660 
1 1 1  -18    6   13 o  349.860   29.086  253.338   38.214  290.259   50.357  203.210   58.677  382.388   33.746  317.331   47.383 65.05667 58.17181 
1 1 1  -18    6   14 o  510.272   19.214  512.328   38.167  486.641   51.812  542.805   56.437  496.439   26.745  524.104   27.594 -27.66486 38.42797 
1 1 1  -18    6   15 o  550.569   19.998  600.854   42.928  616.817   60.009  584.125   61.434  558.274   27.545  542.864   28.999 15.41034 39.99585 
1 1 1  -18    6   16 o  273.411   19.530  148.851   20.738  156.962   28.510  139.736   30.222  281.612   25.942  265.210   29.201 16.40250 39.06041 
1 1 1  -18    6   17 o  210.277   20.515   87.886   16.793   79.682   23.263   96.813   24.266  199.930   29.817  220.625   28.185 -20.69493 41.02966 
1 1 1  -18    6   18 o  357.413   26.090  260.560   36.038  241.756   53.526  276.151   48.740  344.455   39.820  370.370   33.723 -25.91486 52.18052 
1 1 1  -18    6   19 o  618.026   20.939  765.567   50.456  811.653   72.309  721.835   70.438  636.420   29.115  599.631   30.102 36.78906 41.87846 
1 1 1  -18    6   20 o  377.871   19.901  282.704   29.150  250.902   38.690  324.458   44.333  353.658   28.034  402.084   28.254 -48.42618 39.80174 
1 1 1  -18    6   21 o  488.679   20.208  480.728   38.481  479.882   53.002  481.672   55.958  488.631   27.796  488.727   29.340 -0.9597778E-01 40.41611 
1 1 1  -18    6   22 o  422.772   20.387  358.560   33.480  340.179   44.843  381.710   50.326  411.015   27.958  434.528   29.678 -23.51285 40.77318 
1 1 1  -18    6   23 f  330.892   21.311  220.722   27.426  205.821   36.975  238.948   40.892  318.723   29.728  343.062   30.545 -24.33960 42.62294 
1 1 1  -18    6   24 o  121.032   30.583   26.172   16.384   34.070   32.907   23.569   18.892  132.885   48.624  109.179   37.109 23.70636 61.16636 
1 1 1  -18    6   25 o  248.706   44.756  132.131   31.630  126.069   33.624  178.752   93.242  246.070   35.015  251.342   82.380 -5.272339 89.51244 
1 1 1  -18    6   26 o  203.384   28.397   94.149   21.611   67.969   32.773  114.290   28.746  171.852   47.353  234.915   31.357 -63.06340 56.79377 
1 1 1  -18    6   27 o  247.762   25.960  129.955   25.025  141.221   37.164  120.609   33.848  257.365   37.004  238.160   36.419 19.20503 51.91946 
1 1 1  -18    6   28 o  211.102   29.053   98.457   22.830  106.435   35.407   92.780   29.869  217.089   43.312  205.114   38.736 11.97530 58.10692 
1 1 1  -18    6   29 o  448.342   31.049  450.939   53.355  415.205   80.773  478.602   71.067  426.314   48.551  470.370   38.717 -44.05670 62.09857 
1 1 1  -18    6   30 o   94.877   28.931   0.4304   16.535   22.005   34.819  -5.8521   18.789  118.068   48.069   71.685   32.207 46.38284 57.86153 
1 1 1  -18    7    1 o  697.126   25.283  966.315   65.470  975.107   81.261  950.048  110.527  703.294   29.608  690.958   40.991 12.33569 50.56562 
1 1 1  -18    7    2 o  510.485   22.541  518.495   41.798  525.551   50.802  503.709   73.539  517.046   25.178  503.924   37.395 13.12177 45.08167 
1 1 1  -18    7    3 o  413.367   27.209  339.703   43.740  374.877   62.273  305.452   61.450  434.838   36.698  391.897   40.181 42.94073 54.41746 
1 1 1  -18    7    4 o  450.342   37.192  402.319   65.362   0.0000   0.0000  402.319   65.362  ?   ?   450.342   37.192      ?      ? 
1 1 1  -18    7    5 o  399.805   51.048  358.757   40.367  362.851   42.012  309.517  145.697  429.593   25.060  370.017   98.972 59.57544 102.0953 
1 1 1  -18    7    6 o  835.036   32.074  1372.14  103.566  1226.79  135.766  1574.43  160.167  783.448   44.407  886.624   46.292 -103.1758 64.14740 
1 1 1  -18    7    7 o  626.609   41.222  782.425  100.798   0.0000   0.0000  782.425  100.798  ?   ?   626.609   41.222      ?      ? 
1 1 1  -18    7    8 f  234.895   28.949   86.871   18.735   77.336   20.036  153.268   52.870  198.241   25.899  271.548   51.782 -73.30751 57.89770 
1 1 1  -18    7    9 o  885.801   29.605  1490.20   92.315  1397.88  107.754  1744.94  178.982  840.530   32.851  931.072   49.260 -90.54242 59.20922 
1 1 1  -18    7   10 o  344.035   17.433  232.342   23.337  226.667   31.667  239.088   34.526  339.530   23.900  348.539   25.385 -9.008118 34.86502 
1 1 1  -18    7   11 o  409.598   18.226  330.516   29.081  331.996   40.011  328.859   42.340  410.688   24.965  408.508   26.560 2.179779 36.45113 
1 1 1  -18    7   12 o  399.469   28.070  321.230   42.713  331.227   55.284  306.425   67.278  408.333   34.694  390.606   44.137 17.72729 56.14059 
1 1 1  -18    7   13 o  322.884   22.100  209.997   27.028  191.334   42.639  222.533   34.946  310.007   35.245  335.762   26.671 -25.75500 44.19907 
1 1 1  -18    7   14 o  389.602   18.494  299.920   28.085  301.115   38.846  298.611   40.652  390.535   25.489  388.668   26.803 1.867615 36.98750 
1 1 1  -18    7   15 o  202.634   22.433   82.383   17.067   64.639   23.176  103.407   25.227  176.931   34.807  228.337   28.311 -51.40543 44.86667 
1 1 1  -18    7   16 o  343.584   19.298  234.468   25.775  236.033   35.027  232.620   38.065  345.103   26.009  342.065   28.516 3.038147 38.59558 
1 1 1  -18    7   17 o  602.080   39.531  736.517   92.880   0.0000   0.0000  736.517   92.880  ?   ?   602.080   39.531      ?      ? 
1 1 1  -18    7   18 o  362.975   19.890  262.473   28.011  256.595   37.468  269.921   42.174  358.782   26.761  367.167   29.434 -8.385040 39.78081 
1 1 1  -18    7   19 o  134.719   25.088   38.798   13.464   31.744   20.389   44.251   17.928  124.108   38.283  145.329   32.434 -21.22092 50.17540 
1 1 1  -18    7   20 o  469.686   20.182  443.590   36.887  443.526   50.333  443.665   54.215  470.180   27.432  469.192   29.610 0.9879761 40.36417 
1 1 1  -18    7   21 o  388.502   20.382  303.993   30.791  300.574   41.731  308.079   45.618  386.602   27.661  390.402   29.943 -3.800323 40.76373 
1 1 1  -18    7   22 o  340.193   21.176  232.333   27.991  212.234   37.545  257.483   41.999  323.867   29.707  356.518   30.187 -32.65137 42.35290 
1 1 1  -18    7   23 o  237.542   22.801  115.202   21.130  119.138   30.250  111.453   29.528  241.553   32.091  233.532   32.401 8.021317 45.60295 
1 1 1  -18    7   24 o  124.563   39.162   10.879   27.653   16.034   29.260 -32.2300   84.608  110.364   44.374  138.763   64.540 -28.39910 78.32317 
1 1 1  -18    7   25 o  331.366   22.696  226.643   29.308  219.156   40.182  235.153   42.840  325.816   31.603  336.916   32.583 -11.10034 45.39195 
1 1 1  -18    7   26 o  157.053   30.366   57.441   19.203   45.019   31.744   64.611   24.116  142.382   48.104  171.723   37.072 -29.34079 60.73195 
1 1 1  -18    7   27 o   80.762   24.106   3.3823   13.285 -36.0229   29.785   13.169   14.844   74.131   35.580   87.392   32.535 -13.26021 48.21240 
1 1 1  -18    7   28 o  412.087   32.044  355.298   51.531  355.298   51.531   0.0000   0.0000  412.087   32.044  ?   ?       ?      ? 
1 1 1  -18    7   29 o  282.207   37.427  217.762   36.141  119.713   63.199  265.406   44.055  208.632   67.795  355.783   31.731 -147.1512 74.85305 
1 1 1  -18    7   30 o  226.941   30.687  114.776   25.576  133.617   41.859  103.552   32.308  239.269   46.505  214.614   40.049 24.65520 61.37318 
1 1 1  -18    8    1 o  330.865   22.843  198.771   25.448  183.429   28.877  252.118   53.847  305.516   24.220  356.214   38.737 -50.69797 45.68535 
1 1 1  -18    8    2 o  292.376   31.325  165.071   34.153  128.910   43.480  223.320   55.184  250.081   46.257  334.670   42.253 -84.58867 62.65007 
1 1 1  -18    8    3 o  844.712   46.880  1429.93  154.536   0.0000   0.0000  1429.93  154.536  ?   ?   844.712   46.880      ?      ? 
1 1 1  -18    8    4 o  325.840   46.742  239.640   32.461  243.364   33.861  197.373  114.086  351.839   24.662  299.841   90.173 51.99744 93.48440 
1 1 1  -18    8    5 o  431.833   49.886  371.134   41.513  367.697   43.019  417.676  158.290  432.347   25.498  431.320   96.460 1.026794 99.77275 
1 1 1  -18    8    6 o  773.464   44.231  1196.24  133.505   0.0000   0.0000  1196.24  133.505  ?   ?   773.464   44.231      ?      ? 
1 1 1  -18    8    7 f  189.849   29.736   61.135   15.851   56.442   16.983   92.864   44.161  169.360   25.696  210.337   53.635 -40.97694 59.47279 
1 1 1  -18    8    8 o  186.459   31.579   76.382   17.988   79.929   19.524   56.458   46.274  201.579   24.819  171.339   58.078 30.24017 63.15876 
1 1 1  -18    8    9 f  469.421   24.166  422.142   39.177  406.151   45.404  468.749   77.513  454.215   25.615  484.628   40.986 -30.41327 48.33204 
1 1 1  -18    8   10 o  327.103   27.656  214.127   29.198  214.801   33.109  211.770   61.927  330.246   25.691  323.960   48.985 6.285919 55.31300 
1 1 1  -18    8   11 o  244.331   32.701   85.437   19.218   76.627   20.090  180.345   65.936  197.159   26.112  291.503   59.964 -94.34431 65.40247 
1 1 1  -18    8   12 o  271.582   21.981  144.492   23.048  157.507   35.827  135.303   30.105  281.685   32.592  261.480   29.503 20.20523 43.96244 
1 1 1  -18    8   13 o  338.064   19.243  227.509   25.193  243.346   34.409  209.208   36.988  351.163   25.109  324.964   29.167 26.19888 38.48604 
1 1 1  -18    8   14 o  200.195   20.130   79.974   15.616   88.700   21.778   70.739   22.405  211.736   26.356  188.654   30.433 23.08179 40.25933 
1 1 1  -18    8   15 o  361.279   19.199  257.440   26.915  245.840   35.890  272.349   40.689  352.255   26.109  370.303   28.157 -18.04807 38.39872 
1 1 1  -18    8   16 o  374.946   28.711  280.083   42.010   0.0000   0.0000  280.083   42.010  ?   ?   374.946   28.711      ?      ? 
1 1 1  -18    8   17 o  568.798   38.652  658.577   85.794   0.0000   0.0000  658.577   85.794  ?   ?   568.798   38.652      ?      ? 
1 1 1  -18    8   18 o  291.105   21.204  167.147   23.833  138.460   31.566  205.178   36.345  262.339   30.834  319.872   29.117 -57.53345 42.40885 
1 1 1  -18    8   19 o  395.564   20.341  311.549   31.228  287.318   41.587  342.873   47.285  378.331   28.168  412.797   29.353 -34.46576 40.68240 
1 1 1  -18    8   20 o  357.343   20.186  255.168   28.034  235.410   37.639  279.784   42.012  342.060   28.197  372.627   28.892 -30.56732 40.37107 
1 1 1  -18    8   21 o  582.129   21.351  686.760   48.437  717.843   67.982  654.711   69.030  596.190   29.220  568.068   31.139 28.12274 42.70168 
1 1 1  -18    8   22 o  657.881   22.579  880.254   57.719  864.494   77.839  899.506   86.028  652.516   30.569  663.245   33.238 -10.72906 45.15731 
1 1 1  -18    8   23 o  247.999   25.290  119.198   23.557  159.706   40.657   98.725   28.904  276.933   37.621  219.066   33.810 57.86636 50.58095 
1 1 1  -18    8   24 o  166.524   43.675   54.845   26.343   55.440   27.395   47.536   96.019  158.008   43.192  175.041   75.923 -17.03285 87.34937 
1 1 1  -18    8   25 o  429.971   21.731  382.082   36.413  391.291   50.649  372.231   52.387  436.072   29.763  423.870   31.671 12.20203 43.46146 
1 1 1  -18    8   26 o  264.881   24.170  146.548   24.782  156.176   37.933  139.379   32.732  271.477   35.806  258.285   32.475 13.19205 48.33910 
1 1 1  -18    8   27 o  492.615   23.102  509.749   44.272  547.286   62.174  471.141   63.054  512.675   31.077  472.554   34.193 40.12106 46.20488 
1 1 1  -18    8   28 o  410.185   30.409  365.813   47.141  396.831   77.814  347.828   59.252  418.196   47.681  402.175   37.754 16.02133 60.81773 
1 1 1  -18    8   29 o   76.286   24.402  -3.7304   13.861 -33.4066   32.183   3.0276   15.358   78.761   37.579   73.810   31.140 4.950302 48.80448 
1 1 1  -18    9    1 o  570.943   28.923  646.166   64.258  606.854   86.950  693.474   95.383  552.060   40.360  589.825   41.440 -37.76465 57.84607 
1 1 1  -18    9    2 o  251.692   28.816  124.674   21.169  122.600   23.350  134.246   50.163  249.763   23.957  253.622   52.417 -3.859070 57.63176 
1 1 1  -18    9    3 o  581.356   28.407  666.206   64.446  666.206   64.446   0.0000   0.0000  581.356   28.407  ?   ?       ?      ? 
1 1 1  -18    9    4 o  329.125   47.152  257.035   33.562  263.596   35.089  186.565  114.994  366.143   24.558  292.108   91.050 74.03525 94.30405 
1 1 1  -18    9    5 o  331.093   27.477  226.174   28.671  232.371   32.435  204.026   61.317  343.798   24.176  318.387   49.351 25.41183 54.95412 
1 1 1  -18    9    6 o  564.081   42.741  635.779   94.085   0.0000   0.0000  635.779   94.085  ?   ?   564.081   42.741      ?      ? 
1 1 1  -18    9    7 o  195.116   33.069  100.929   21.827  115.051   23.597   17.296   57.426  241.808   25.007  148.423   61.228 93.38484 66.13789 
1 1 1  -18    9    8 o  713.031   26.923  882.686   63.821  781.229   71.601  1274.88  140.777  629.040   29.168  797.022   45.262 -167.9819 53.84621 
1 1 1  -18    9    9 o  704.088   26.641  935.877   65.614  876.432   76.246  1105.55  128.815  666.050   29.334  742.125   44.479 -76.07501 53.28143 
1 1 1  -18    9   10 o  416.946   25.540  342.615   41.556  342.615   41.556   0.0000   0.0000  416.946   25.540  ?   ?       ?      ? 
1 1 1  -18    9   11 o  144.108   35.623   35.491   17.686   35.902   18.645   31.801   55.858  132.018   35.445  156.198   61.802 -24.17958 71.24522 
1 1 1  -18    9   12 o  143.939   35.819   25.730   14.577   23.038   15.102   62.411   55.753  107.439   32.916  180.439   63.629 -72.99957 71.63834 
1 1 1  -18    9   13 o  300.266   29.773  153.913   25.396  142.510   27.290  227.649   69.395  268.423   26.052  332.108   53.545 -63.68423 59.54660 
1 1 1  -18    9   14 o  170.136   38.585   32.752   15.740   28.300   16.194  108.781   66.923  117.486   33.619  222.785   69.462 -105.2991 77.17024 
1 1 1  -18    9   15 o  413.410   59.278  362.948   95.633   0.0000   0.0000  362.948   95.633  ?   ?   413.410   59.278      ?      ? 
1 1 1  -18    9   16 o  228.639   32.954  126.646   27.820   60.396   46.255  164.191   34.821  171.110   58.066  286.169   31.181 -115.0594 65.90828 
1 1 1  -18    9   17 o  414.704   27.427  365.068   42.443  284.861   65.179  424.117   55.925  370.264   45.109  459.143   31.212 -88.87830 54.85457 
1 1 1  -18    9   18 o   99.347   23.280   19.442   10.714   12.087   17.348   23.976   13.622   91.015   34.883  107.679   30.840 -16.66384 46.56095 
1 1 1  -18    9   19 o  257.956   21.622  133.741   21.703  122.129   29.492  147.459   32.054  245.760   30.751  270.152   30.404 -24.39230 43.24417 
1 1 1  -18    9   20 o  212.229   22.315   91.597   18.443   86.424   26.353   96.562   25.820  206.022   32.778  218.437   30.290 -12.41501 44.63038 
1 1 1  -18    9   21 o  367.047   21.201  271.740   30.223  261.643   40.516  284.407   45.381  359.893   28.848  374.201   31.077 -14.30817 42.40300 
1 1 1  -18    9   22 o  211.408   22.996   90.623   18.888  102.146   28.229   81.283   25.415  223.517   32.363  199.299   32.678 24.21790 45.99126 
1 1 1  -18    9   23 o  463.632   40.715  474.514   63.217  459.748   72.796  519.805  127.490  466.794   39.963  460.470   70.949 6.323700 81.42914 
1 1 1  -18    9   24 o  209.170   26.261   94.105   20.743   87.120   30.799   99.903   28.061  198.845   41.052  219.495   32.761 -20.65002 52.52134 
1 1 1  -18    9   25 o  386.776   22.537  311.448   33.975  323.933   47.673  298.562   48.433  395.381   30.898  378.170   32.819 17.21130 45.07471 
1 1 1  -18    9   26 o  237.391   27.193  123.138   24.142  116.807   36.995  127.835   31.862  227.937   43.172  246.844   33.076 -18.90738 54.38597 
1 1 1  -18    9   27 o  409.605   24.265  352.566   38.358  341.867   50.374  367.330   59.175  404.355   31.923  414.855   36.552 -10.50037 48.53004 
1 1 1  -18    9   28 o  476.232   29.392  499.038   50.634  495.029   88.944  500.960   61.588  464.188   49.101  488.275   32.322 -24.08704 58.78483 
1 1 1  -18    9   29 o  126.858   30.883   29.894   16.461   51.076   33.472   23.137   18.905  147.439   49.398  106.278   37.080 41.16010 61.76660 
1 1 1  -18   10    1 o  425.199   25.394  349.231   35.811  340.955   40.792  377.046   74.784  416.307   25.109  434.091   44.146 -17.78305 50.78738 
1 1 1  -18   10    2 o  319.236   45.793  247.654   33.025  256.106   34.706  166.671  107.427  360.855   24.645  277.617   88.207 83.23831 91.58537 
1 1 1  -18   10    3 o  880.633   34.617  1537.22  118.963  1537.22  118.963   0.0000   0.0000  880.633   34.617  ?   ?       ?      ? 
1 1 1  -18   10    4 o  482.406   25.623  442.486   42.362  422.381   48.811  503.848   85.275  463.003   27.015  501.810   43.546 -38.80652 51.24520 
1 1 1  -18   10    5 o  285.005   31.567  160.114   25.865  157.284   28.422  173.751   62.387  282.636   25.769  287.374   57.636 -4.737335 63.13465 
1 1 1  -18   10    6 o  180.921   39.826   64.833   29.993   60.023   37.033   74.006   51.135  171.083   51.358  190.759   60.882 -19.67641 79.65142 
1 1 1  -18   10    7 o  408.245   28.193  315.558   41.793  288.712   49.732  380.087   77.104  381.591   33.397  434.899   45.431 -53.30801 56.38586 
1 1 1  -18   10    8 o  370.517   39.123  375.345   41.639  473.692   49.461  136.073   77.149  490.243   25.854  250.791   73.852 239.4513 78.24621 
1 1 1  -18   10    9 o  814.439   32.340  1315.94  102.784  1315.94  102.784   0.0000   0.0000  814.439   32.340  ?   ?       ?      ? 
1 1 1  -18   10   10 o  136.620   40.256   20.348   15.008   20.778   15.227   5.7377   88.755  103.419   33.246  169.821   73.327 -66.40218 80.51141 
1 1 1  -18   10   11 o  625.689   51.419  801.723  125.549   0.0000   0.0000  801.723  125.549  ?   ?   625.689   51.419      ?      ? 
1 1 1  -18   10   12 o  445.354   34.928  407.786   58.568  411.947   74.090  400.854   95.627  451.323   42.067  439.384   55.770 11.93863 69.85648 
1 1 1  -18   10   13 o  141.241   34.882   39.130   16.193   42.471   16.621 -23.2236   71.798  143.398   30.632  139.084   62.679 4.314316 69.76357 
1 1 1  -18   10   14 o  619.418   49.943  795.883  120.724   0.0000   0.0000  795.883  120.724  ?   ?   619.418   49.943      ?      ? 
1 1 1  -18   10   15 o  280.910   59.461  170.506   51.993  165.959   54.986  208.892  159.773  277.250   52.749  284.570  106.584 -7.319763 118.9224 
1 1 1  -18   10   16 o  335.849   36.776  210.551   32.110  199.415   34.313  289.041   91.096  315.842   27.839  355.857   68.079 -40.01483 73.55101 
1 1 1  -18   10   17 o  229.724   42.419  116.047   26.353  116.650   27.620  109.928   88.015  240.898   29.381  218.551   79.589 22.34683 84.83898 
1 1 1  -18   10   18 o  187.292   42.845   61.926   21.343   59.896   22.012   93.814   87.239  168.641   34.607  205.944   78.392 -37.30255 85.69058 
1 1 1  -18   10   19 o  246.360   43.734  133.198   28.068  132.329   29.434  141.920   93.221  255.997   29.463  236.723   82.355 19.27380 87.46709 
1 1 1  -18   10   20 o  261.886   43.511  194.313   33.466  207.421   35.450   86.946  101.460  320.710   28.325  203.063   82.283 117.6463 87.02221 
1 1 1  -18   10   21 o  185.089   25.878   73.129   18.217   56.339   26.076   89.136   25.460  160.928   41.311  209.250   31.179 -48.32123 51.75663 
1 1 1  -18   10   22 o  162.199   39.962   62.650   30.042   75.887   31.378 -82.9196  104.059  185.292   44.042  139.106   66.695 46.18564 79.92454 
1 1 1  -18   10   23 o  361.577   22.510  268.189   31.670  252.251   42.838  287.401   47.033  350.077   31.357  373.077   32.305 -22.99982 45.02086 
1 1 1  -18   10   24 o  490.737   22.474  495.510   42.810  460.443   57.067  540.643   64.742  471.760   30.998  509.714   32.548 -37.95370 44.94726 
1 1 1  -18   10   25 o  586.478   23.496  721.961   53.679  765.478   75.737  678.035   76.092  605.684   32.043  567.273   34.373 38.41107 46.99200 
1 1 1  -18   10   26 o  224.576   25.757  105.069   21.773  129.342   34.897   89.596   27.862  246.419   36.289  202.734   36.562 43.68524 51.51419 
1 1 1  -18   10   27 o  302.423   36.409  212.675   37.148  214.555   69.727  211.929   43.896  289.367   63.492  315.478   35.655 -26.11121 72.81844 
1 1 1  -18   10   28 o  231.488   28.827  119.666   25.054  114.465   38.207  123.590   33.186  222.527   45.532  240.449   35.367 -17.92198 57.65407 
1 1 1  -18   11    1 o  546.028   50.899  473.615   70.610  432.685   74.262  859.274  227.956  465.490   40.881  626.566   93.229 -161.0761 101.7986 
1 1 1  -18   11    2 o  814.200   34.024  1329.51  107.849  1450.81  158.691  1225.40  147.018  848.658   47.917  779.742   48.316 68.91522 68.04737 
1 1 1  -18   11    3 o  702.182   29.755  871.349   65.955  800.038   72.866  1194.68  155.156  636.433   29.339  767.930   51.774 -131.4968 59.50913 
1 1 1  -18   11    4 o  297.307   23.865  111.727   20.288   88.046   21.571  293.217   59.717  211.376   26.151  383.239   39.930 -171.8625 47.73075 
1 1 1  -18   11    5 o  598.146   29.438  674.216   56.357  644.682   63.017  792.192  125.951  571.415   28.260  624.877   51.651 -53.46155 58.87636 
1 1 1  -18   11    6 o  354.141   55.938  256.535   77.306   0.0000   0.0000  256.535   77.306  ?   ?   354.141   55.938      ?      ? 
1 1 1  -18   11    7 o  329.628   34.642  225.957   36.880  228.831   42.580  217.329   73.781  339.642   32.126  319.614   61.386 20.02814 69.28430 
1 1 1  -18   11    8 o  637.143   29.415  803.784   73.137  803.784   73.137   0.0000   0.0000  637.143   29.415  ?   ?       ?      ? 
1 1 1  -18   11    9 o  882.193   52.416  1594.79  180.450   0.0000   0.0000  1594.79  180.450  ?   ?   882.193   52.416      ?      ? 
1 1 1  -18   11   10 o  357.188   54.865  283.556   39.284  283.977   40.593  277.359  155.949  378.687   27.469  335.690  106.236 42.99698 109.7300 
1 1 1  -18   11   11 o  140.990   32.109   46.264   17.826   54.460   18.368 -86.3985   73.900  163.065   29.970  118.915   56.796 44.14967 64.21774 
1 1 1  -18   11   12 o  436.227   32.532  401.503   43.823  410.066   49.253  368.970   96.002  454.320   27.781  418.134   58.835 36.18573 65.06384 
1 1 1  -18   11   13 f  257.181   40.544  139.383   27.866  138.663   29.707  144.665   80.409  263.744   28.863  250.618   75.778 13.12637 81.08846 
1 1 1  -18   11   14 o  220.030   92.523   76.613  134.866   0.0000   0.0000   76.613  134.866  ?   ?   220.030   92.523      ?      ? 
1 1 1  -18   11   15 f  166.693   50.853   21.609   15.864   20.570   15.964  104.035  142.173  102.872   34.105  230.515   95.818 -127.6429 101.7064 
1 1 1  -18   11   16 f  373.849   44.905  249.517   56.681  185.311   64.090  480.029  121.438  287.168   59.159  460.529   67.572 -173.3603 89.80975 
1 1 1  -18   11   17 o  366.152   45.857  286.747   38.204  281.911   40.261  330.476  121.065  374.771   27.529  357.532   87.485 17.23886 91.71377 
1 1 1  -18   11   18 o  242.354   47.202  117.833   27.760  115.016   28.682  159.551  110.386  238.296   30.843  246.412   89.224 -8.115906 94.40424 
1 1 1  -18   11   19 o  206.537   41.100  114.091   28.176  122.692   29.115 -12.7801  111.823  246.106   30.315  166.967   76.405 79.13936 82.19936 
1 1 1  -18   11   20 o  251.642   45.489  160.377   31.263  164.371   32.659  116.644  108.067  284.888   29.376  218.396   86.105 66.49168 90.97821 
1 1 1  -18   11   21 o  311.001   99.339  297.857  136.114   0.0000   0.0000  297.857  136.114  ?   ?   311.001   99.339      ?      ? 
1 1 1  -18   11   22 o  148.686   45.296   26.909   21.291   26.263   21.648   45.982  117.691  114.736   39.700  182.636   81.431 -67.90018 90.59256 
1 1 1  -18   11   23 o  256.369   45.120  166.076   34.586  167.438   36.978  156.558   97.751  283.442   33.431  229.295   83.818 54.14699 90.23930 
1 1 1  -18   11   24 o  211.296   43.406   87.168   28.408   75.661   30.487  163.044   78.286  182.685   43.405  239.908   75.182 -57.22211 86.81220 
1 1 1  -18   11   25 o  361.219   39.411  311.782   42.311  315.064   47.736  299.754   91.384  388.742   31.467  333.695   72.268 55.04727 78.82127 
1 1 1  -18   11   26 o  285.104   66.069  212.093   72.070  212.093   72.070   0.0000   0.0000  285.104   66.069  ?   ?       ?      ? 
1 1 1  -18   11   27 o  122.318   35.681   23.582   26.912   38.050   28.854 -73.2125   74.632  131.742   45.819  112.894   54.710 18.84815 71.36182 
1 1 1  -18   11   28 o  240.903   41.685  159.145   35.553  167.839   39.924  125.827   78.151  278.589   36.723  203.216   74.845 75.37325 83.36906 
1 1 1  -18   12    1 o  248.842   46.108  141.064   44.517  159.873   53.398   98.199   80.609  276.676   51.347  221.008   76.599 55.66885 92.21682 
1 1 1  -18   12    2 o  360.398   51.500  199.620   55.148  156.585   59.726  448.480  143.626  271.528   58.121  449.268   85.035 -177.7401 102.9999 
1 1 1  -18   12    3 o  385.136   41.302  297.312   62.076  297.312   62.076   0.0000   0.0000  385.136   41.302  ?   ?       ?      ? 
1 1 1  -18   12    4 o  399.640   31.483  312.877   37.524  308.027   41.293  335.863   89.899  395.007   26.788  404.272   56.984 -9.265045 62.96601 
1 1 1  -18   12    5 o  467.435   31.577  434.101   45.161  430.053   50.148  451.468  103.874  466.485   27.548  468.385   56.829 -1.899780 63.15416 
1 1 1  -18   12    6 o  311.135   53.020  223.502   58.246  237.729   66.621  177.350  119.993  341.578   49.979  280.693   93.523 60.88452 106.0403 
1 1 1  -18   12    8 o  508.187   55.279  534.438  109.626   0.0000   0.0000  534.438  109.626  ?   ?   508.187   55.279      ?      ? 
1 1 1  -18   12    9 o  385.813   40.739  266.405   55.233  174.458   65.453  493.841  102.941  283.429   60.985  488.197   54.033 -204.7674 81.47842 
1 1 1  -18   12   10 o  164.724   42.264   44.770   18.018   45.675   18.317   17.705  100.147  148.451   32.519  180.996   78.022 -32.54549 84.52746 
1 1 1  -18   12   11 o  184.966   37.825   76.543   21.142   80.409   21.997   29.736   76.543  201.046   28.038  168.886   70.262 32.16014 75.64956 
1 1 1  -18   12   12 o  166.450   46.905   29.367   41.267   11.581   47.930   80.333   81.134  131.293   55.180  201.607   75.866 -70.31451 93.81074 
1 1 1  -18   12   13 o  270.137   57.389  185.257   59.066  197.521   63.904  113.329  154.756  300.404   56.588  239.870   99.859 60.53377 114.7780 
1 1 1  -18   12   14 o  502.565   64.495  472.108   52.286  456.029   53.417  839.792  255.442  477.057   28.693  528.073  125.757 -51.01624 128.9894 
1 1 1  -18   12   15 o  254.865   45.372   98.867   24.797   91.276   25.530  225.351  104.216  212.735   30.753  296.994   85.374 -84.25833 90.74394 
1 1 1  -18   12   16 o  357.421   48.022  308.516   40.702  312.677   43.231  276.045  120.770  394.424   28.086  320.418   91.846 74.00580 96.04409 
1 1 1  -18   12   17 o  214.191   43.629  109.591   26.993  113.137   27.875   56.163  108.190  236.511   30.201  191.872   81.865 44.63867 87.25829 
1 1 1  -18   12   18 o   81.283   33.727 -18.5499   5.5407 -18.3305   5.5487 -94.6561  103.331   24.332   12.284  138.234   66.325 -113.9016 67.45346 
1 1 1  -18   12   19 o  313.845   45.339  172.702   32.140  160.350   33.480  317.827  114.757  280.990   30.532  346.700   85.383 -65.71002 90.67786 
1 1 1  -18   12   20 o  169.261   43.946   54.159   22.269   55.215   22.712   27.844  113.377  160.175   37.069  178.347   79.692 -18.17236 87.89118 
1 1 1  -18   12   21 o  395.713  103.766  494.803  162.211   0.0000   0.0000  494.803  162.211  ?   ?   395.713  103.766      ?      ? 
1 1 1  -18   12   22 o  237.517   46.612  130.331   30.452  128.195   31.713  155.595  109.058  248.495   32.703  226.538   87.300 21.95732 93.22395 
1 1 1  -18   12   23 o  424.330   45.118  452.046   70.021  505.800   93.202  382.393  106.094  471.061   50.701  377.599   74.645 93.46219 90.23595 
1 1 1  -18   12   24 o  129.790   38.502   26.292   22.912   28.634   23.904  -0.1751   80.362  118.071   41.660  141.510   64.761 -23.43911 77.00381 
1 1 1  -18   12   25 o  181.478   46.680   79.622   31.405   82.792   32.081   6.7467  153.826  190.332   44.062  172.624   82.307 17.70857 93.35921 
1 1 1  -18   12   26 o  145.082   45.471   23.652   50.127   32.287   61.867   7.1492   85.529  144.370   61.760  145.793   66.754 -1.423676 90.94164 
1 1 1  -18   12   27 o   88.418   30.665 -17.8111   20.552  -9.4479   21.246 -139.6453   81.090   73.610   33.537  103.227   51.349 -29.61672 61.33066 
1 1 1  -18   13    1 o  322.938   53.888  161.437   57.102  108.352   63.112  400.993  134.070  224.276   66.983  421.600   84.433 -197.3244 107.7761 
1 1 1  -18   13    2 o  390.483   55.807  257.940   65.348  212.566   71.159  502.187  165.097  315.461   59.996  465.505   94.118 -150.0436 111.6143 
1 1 1  -18   13    3 o  600.725   44.858  730.633  105.159  730.633  105.159   0.0000   0.0000  600.725   44.858  ?   ?       ?      ? 
1 1 1  -18   13    4 o  294.684   56.406  184.778   62.503  184.778   62.503   0.0000   0.0000  294.684   56.406  ?   ?       ?      ? 
1 1 1  -18   13    5 o  277.731   62.086  167.497   65.599  167.497   65.599   0.0000   0.0000  277.731   62.086  ?   ?       ?      ? 
1 1 1  -18   13    6 f  409.180   43.280  289.645   60.900  171.929   71.414  603.463  116.601  279.238   66.490  539.123   55.422 -259.8851 86.55954 
1 1 1  -18   13    7 o  341.128   32.232  151.911   30.688  122.653   32.497  392.969   93.279  247.668   33.623  434.588   55.001 -186.9199 64.46448 
1 1 1  -18   13    8 o  143.576   39.498   11.973   11.086   10.216   11.210   90.268   74.832   78.489   28.431  208.663   73.701 -130.1738 78.99509 
1 1 1  -18   13    9 o  304.143   45.232  210.401   34.123  213.176   36.167  187.915  102.954  327.285   28.317  281.001   85.917 46.28391 90.46325 
1 1 1  -18   13   10 o  169.004   42.021   37.679   15.726   36.042   15.998   84.599   85.661  131.613   31.557  206.394   77.891 -74.78075 84.04101 
1 1 1  -18   13   11 o  304.777   49.734  197.144   54.491  167.682   65.127  265.903   99.495  273.588   62.385  335.965   77.472 -62.37717 99.46726 
1 1 1  -18   13   12 o  323.376   56.611  194.625   34.455  188.493   35.235  328.528  164.661  306.655   29.444  340.096  109.327 -33.44073 113.2222 
1 1 1  -18   13   13 o  277.582   53.662  185.468   33.111  187.070   33.796  147.152  165.294  305.480   28.350  249.685  103.512 55.79520 107.3238 
1 1 1  -18   13   14 o  123.402   40.531   8.9014   12.743   9.0388   12.843   0.2349  102.024   78.856   30.063  167.948   75.281 -89.09217 81.06187 
1 1 1  -18   13   15 o  335.347   48.607  258.015   37.198  257.040   39.054  267.552  122.124  357.566   27.988  313.128   93.099 44.43787 97.21472 
1 1 1  -18   13   16 o  229.652   48.301   81.966   23.801   77.011   24.337  190.716  114.021  194.672   32.035  264.633   91.136 -69.96048 96.60275 
1 1 1  -18   13   17 o  194.967   42.401   87.041   24.804   90.358   25.487   27.692  107.819  211.014   30.951  178.921   78.951 32.09198 84.80135 
1 1 1  -18   13   18 o  220.326   45.490   97.858   26.231   95.815   27.128  127.202  102.834  216.742   32.073  223.910   85.139 -7.168015 90.98006 
1 1 1  -18   13   19 o  186.097   35.848  101.257   28.105  117.739   29.021 -147.7965  112.809  240.234   30.956  131.960   64.669 108.2745 71.69592 
1 1 1  -18   13   20 o  246.776   51.014  112.194   31.372  103.520   32.474  233.530  121.458  218.922   39.464  274.630   94.087 -55.70773 102.0285 
1 1 1  -18   13   21 o  279.582   44.985  209.769   36.066  216.778   38.721  163.852   99.109  324.430   30.584  234.735   84.613 89.69527 89.97050 
1 1 1  -18   13   22 o  172.006   42.681   49.393   23.626   42.156   24.853  117.338   76.151  137.796   42.226  206.216   74.186 -68.41911 85.36153 
1 1 1  -18   13   23 o  302.494   41.824  259.052   38.997  286.738   44.135  160.474   83.279  371.746   30.423  233.241   77.918 138.5051 83.64707 
1 1 1  -18   13   24 o  235.298   50.190  142.193   33.652  141.492   34.436  157.056  158.560  258.989   34.072  211.607   94.420 47.38243 100.3797 
1 1 1  -18   13   25 o  268.136   59.044  260.047   75.364  277.508   82.238  168.514  188.291  325.891   66.906  210.381   97.304 115.5095 118.0870 
1 1 1  -18   13   26 o  108.072   34.899   7.4970   21.857   14.173   22.538 -98.0429   89.609   98.088   39.115  118.056   57.808 -19.96793 69.79847 
1 1 1  -18   14    1 o  243.713   42.136  128.064   47.767  220.702   65.290   21.372   70.068  327.213   51.131  160.212   66.987 167.0010 84.27122 
1 1 1  -18   14    2 o  275.647   62.958  166.493   66.237  166.493   66.237   0.0000   0.0000  275.647   62.958  ?   ?       ?      ? 
1 1 1  -18   14    3 o  267.333   61.931  156.531   63.341  156.531   63.341   0.0000   0.0000  267.333   61.931  ?   ?       ?      ? 
1 1 1  -18   14    4 o  361.711   57.766  259.034   65.847  229.452   72.949  389.152  152.994  325.949   59.545  397.473   99.005 -71.52380 115.5320 
1 1 1  -18   14    5 o  227.286   64.095   95.363   82.086   52.143  157.471  111.489   96.189  225.331   97.482  229.241   83.245 -3.910583 128.1896 
1 1 1  -18   14    6 o  245.170   88.667  134.060  108.967   0.0000   0.0000  134.060  108.967  ?   ?   245.170   88.667      ?      ? 
1 1 1  -18   14    7 o  212.666   45.299   88.647   24.907   88.924   25.624   83.900  106.095  210.837   31.143  214.495   85.077 -3.658386 90.59838 
1 1 1  -18   14    8 o  214.363   47.583   74.419   23.580   71.463   24.149  134.910  109.243  185.605   34.614  243.122   88.649 -57.51721 95.16668 
1 1 1  -18   14    9 o  374.876   48.912  292.129   64.675  255.162   76.459  385.103  121.257  345.687   56.678  404.065   79.731 -58.37753 97.82363 
1 1 1  -18   14   10 o  469.167   42.856  455.974   73.379  415.873   87.907  548.126  133.260  444.073   50.727  494.262   69.089 -50.18970 85.71212 
1 1 1  -18   14   11 o  329.240   57.435  243.738   38.519  241.463   39.543  285.972  170.398  346.845   29.215  311.635  111.093 35.20996 114.8698 
1 1 1  -18   14   12 o  354.294  103.722  355.751  152.572   0.0000   0.0000  355.751  152.572  ?   ?   354.294  103.722      ?      ? 
1 1 1  -18   14   13 f  475.587   43.886  481.258   77.209  431.484   93.543  587.642  136.756  446.524   53.683  504.651   69.442 -58.12729 87.77280 
1 1 1  -18   14   14 o  222.605   42.560  134.451   29.822  143.248   30.921   17.280  112.850  266.324   29.752  178.887   79.750 87.43634 85.11913 
1 1 1  -18   14   15 o  411.918   49.665  383.262   71.912  355.493   85.922  448.207  131.399  402.959   54.640  420.877   82.952 -17.91818 99.33087 
1 1 1  -18   14   16 o  254.281   44.432   71.935   23.273   60.491   23.861  295.537  105.470  168.218   37.324  340.344   80.646 -172.1265 88.86466 
1 1 1  -18   14   17 o  171.020   40.227   65.014   23.159   68.661   23.916   10.138   92.778  179.936   35.321  162.104   72.286 17.83183 80.45435 
1 1 1  -18   14   18 o  273.391   47.404  211.184   38.823  221.628   40.984  119.932  121.147  329.029   31.919  217.752   89.273 111.2766 94.80797 
1 1 1  -18   14   19 o  259.889   51.477   79.616   26.496   67.898   27.053  355.214  131.202  176.031   40.257  343.747   94.756 -167.7166 102.9534 
1 1 1  -18   14   20 o  214.963   38.590  141.747   33.503  162.078   35.601 -15.7051   99.072  279.457   32.645  150.468   69.936 128.9888 77.18003 
1 1 1  -18   14   21 o  210.373   39.152  121.355   30.382  132.367   32.992   59.915   77.933  251.389   33.630  169.358   70.714 82.03123 78.30402 
1 1 1  -18   14   22 o  373.094   41.529  386.047   46.814  452.307   55.526  223.166   87.057  466.867   30.477  279.320   77.264 187.5468 83.05752 
1 1 1  -18   14   23 o  213.253   43.607  134.817   32.987  142.354   33.675 -43.9810  164.015  260.318   33.149  166.189   80.668 94.12872 87.21391 
1 1 1  -18   14   24 o  168.402   55.033   28.184   64.544   10.832   70.706  114.916  158.078  139.094   62.486  197.709   90.609 -58.61569 110.0656 
1 1 1  -18   14   25 o  154.929   47.883   39.055   24.965   39.394   25.209   21.790  179.951  132.594   42.793  177.263   85.673 -44.66907 95.76545 
1 1 1  -18   15    1 o  139.070   42.706 -42.3155   49.286 -134.5277   69.373   51.661   70.033  100.731   49.630  177.410   69.512 -76.67915 85.41123 
1 1 1  -18   15    2 o  198.769   50.042   78.391   51.735  116.426   69.826   32.099   77.033  227.542   70.954  169.995   70.585 57.54620 100.0840 
1 1 1  -18   15    3 o  317.556   50.454  262.417   63.908  340.835   78.827  112.015  109.169  404.685   49.915  230.426   87.697 174.2585 100.9072 
1 1 1  -18   15    4 o  238.301   65.603  121.932   88.704   53.127  159.926  152.504  106.604  222.577   97.242  254.026   88.086 -31.44923 131.2066 
1 1 1  -18   15    5 o  279.778   53.176  200.086   62.283  243.952   75.572  107.196  109.971  333.050   60.369  226.506   87.559 106.5437 106.3529 
1 1 1  -18   15    6 o  245.022   60.724  118.586   68.374   74.056   81.918  220.857  124.146  196.491   75.678  293.553   94.988 -97.06230 121.4486 
1 1 1  -18   15    7 o  185.123   53.731   44.067   57.803   25.811   69.220   86.127  105.066  158.717   66.489  211.529   84.423 -52.81255 107.4613 
1 1 1  -18   15    8 o  265.056   99.701  181.165  140.096   0.0000   0.0000  181.165  140.096  ?   ?   265.056   99.701      ?      ? 
1 1 1  -18   15    9 o  152.082   46.370   14.611   12.727   13.576   12.807   96.925  114.242   86.813   30.507  217.351   87.579 -130.5380 92.73985 
1 1 1  -18   15   10 o  368.036   60.473  328.945   46.742  327.335   48.252  353.459  188.302  402.807   30.696  333.265  116.985 69.54205 120.9452 
1 1 1  -18   15   11 o  275.231   50.268  215.859   37.101  224.083   38.116   67.565  161.855  333.530   29.285  216.933   96.177 116.5963 100.5366 
1 1 1  -18   15   12 f  369.025   52.208  267.132   70.591  155.692   83.126  555.345  133.682  249.693   77.344  488.357   70.146 -238.6636 104.4155 
1 1 1  -18   15   13 o  313.725   46.531  195.360   33.906  187.393   35.508  277.740  114.180  304.443   29.887  323.008   88.132 -18.56433 93.06149 
1 1 1  -18   15   14 o  164.480   40.538   54.788   21.080   57.086   21.628   11.169   94.222  164.157   34.840  164.804   73.208 -0.6475525 81.07540 
1 1 1  -18   15   15 o  217.135   42.289   90.433   25.928   84.834   27.403  138.277   80.104  200.213   36.414  234.057   76.339 -33.84389 84.57886 
1 1 1  -18   15   16 o  135.443   35.893   34.238   18.530   36.986   19.270   0.5413   67.483  131.586   36.332  139.299   61.913 -7.713333 71.78623 
1 1 1  -18   15   17 o  159.101   41.361   35.501   18.803   32.035   19.387   90.466   77.195  122.969   37.214  195.233   73.878 -72.26363 82.72205 
1 1 1  -18   15   18 o  203.182   39.129  113.959   31.651  128.791   34.064   20.254   85.620  248.628   35.109  157.737   69.941 90.89145 78.25832 
1 1 1  -18   15   19 o  126.136   35.389   29.876   19.764   35.905   20.289 -82.2797   87.501  128.532   37.879  123.741   59.789 4.791084 70.77843 
1 1 1  -18   15   20 f  193.724   32.973  118.669   30.883  149.885   33.067 -94.4307   86.398  268.539   31.554  118.909   57.907 149.6295 65.94633 
1 1 1  -18   15   21 o  128.240   39.826   3.5568   15.950  -0.0306   16.287   87.583   78.825   72.505   31.359  183.976   73.219 -111.4712 79.65171 
1 1 1  -18   15   22 o  213.377   48.013  117.457   31.788  119.214   32.337   67.071  173.169  237.289   34.921  189.465   89.451 47.82370 96.02615 
1 1 1  -18   15   23 o  135.338   47.036 -59.9158   63.109 -59.3460   69.338 -62.6666  152.344  112.656   54.127  158.019   76.940 -45.36354 94.07204 
1 1 1  -18   15   24 o  255.774   51.368  196.659   40.123  197.877   40.986  168.615  196.603  305.081   34.426  206.468   96.797 98.61290 102.7367 
1 1 1  -18   16    1 o  497.777   57.983  534.211  112.634  534.211  112.634   0.0000   0.0000  497.777   57.983  ?   ?       ?      ? 
1 1 1  -18   16    2 o  282.327   73.086  216.113  107.258  160.505  180.056  246.699  133.537  260.295  107.983  304.360   98.518 -44.06485 146.1716 
1 1 1  -18   16    3 o  289.465   73.045  233.635  112.803  114.241  188.193  300.585  140.926  245.207  106.324  333.722  100.188 -88.51567 146.0909 
1 1 1  -18   16    4 o  127.710   42.515 -57.0292   52.664 -55.2037   85.913 -58.1281   66.657  137.663   64.364  117.756   55.566 19.90719 85.03056 
1 1 1  -18   16    5 o  180.848   54.499   35.972   67.539   49.640   99.333   24.221   92.106  188.844   79.406  172.852   74.667 15.99181 108.9976 
1 1 1  -18   16    6 o  331.051   59.537  295.934   85.222  380.147  108.666  161.380  137.358  409.726   67.963  252.376   97.773 157.3496 119.0734 
1 1 1  -18   16    7 o  250.072   61.265  153.742   68.533  150.529   80.142  162.483  132.203  248.734   75.751  251.409   96.309 -2.674942 122.5305 
1 1 1  -18   16    8 o  321.034   86.262  352.782  148.859  342.794  259.138  357.701  181.857  306.270  128.491  335.797  115.128 -29.52734 172.5238 
1 1 1  -18   16    9 o  385.251   69.671  333.452   85.305  284.048   93.701  572.683  206.193  344.853   71.954  425.648  119.327 -80.79474 139.3420 
1 1 1  -18   16   10 o  220.175   49.692   98.219   26.931   98.230   27.420   97.909  143.206  219.969   31.943  220.381   94.111 -0.4119110 99.38464 
1 1 1  -18   16   11 o  383.329   62.518  391.898   50.309  392.769   51.873  378.099  206.434  440.596   30.170  326.062  121.343 114.5339 125.0370 
1 1 1  -18   16   12 o  206.873   51.377   73.097   22.794   72.431   23.026  105.598  160.777  188.880   31.240  224.866   97.890 -35.98543 102.7539 
1 1 1  -18   16   13 o  368.815   63.511  445.445   91.573  491.984  100.928  228.732  217.793  472.679   54.716  264.950  114.633 207.7298 127.0218 
1 1 1  -18   16   14 o  265.230   57.192  154.914   32.184  153.544   32.607  206.654  200.368  274.864   30.400  255.597  110.270 19.26688 114.3832 
1 1 1  -18   16   15 o  144.699   40.507   9.0235   12.576   6.1526   12.741  117.678   78.384   73.692   29.403  215.707   75.491 -142.0143 81.01484 
1 1 1  -18   16   16 o  221.324   43.345  102.685   28.020   98.974   29.597  134.750   86.996  218.481   34.714  224.167   79.435 -5.686325 86.68906 
1 1 1  -18   16   17 o  107.373   35.865   3.1401   13.084   3.2633   13.263  -1.3297   79.892   70.368   29.259  144.378   65.491 -74.00938 71.73011 
1 1 1  -18   16   18 o  142.275   41.802   23.167   17.577   21.041   17.936   74.623   88.256  103.464   36.117  181.085   75.401 -77.62145 83.60494 
1 1 1  -18   16   19 o  152.380   37.654   55.018   22.770   60.803   23.469 -37.7717   93.995  166.304   37.105  138.456   65.532 27.84763 75.30710 
1 1 1  -18   16   20 o  317.892   46.128  328.327   46.490  365.453   51.167  152.634  111.307  418.871   31.302  216.914   86.783 201.9577 92.25529 
1 1 1  -18   16   21 f  188.568   61.996   65.806   76.360   54.406   80.257  174.722  248.068  165.049   70.467  212.087  102.022 -47.03882 123.9922 
1 1 1  -18   16   22 o  206.287   62.857  126.151   78.124  116.162   84.569  184.296  204.032  199.538   76.881  213.037   99.465 -13.49919 125.7141 
1 1 1  -18   16   23 o  197.982   39.021  120.976   33.165  135.746   34.437 -67.8427  123.131  252.316   34.975  143.647   69.765 108.6692 78.04115 
1 1 1  -18   17    1 o  152.635   50.759 -28.9765   61.499 -90.7609  149.323 -16.3557   67.489  171.161   81.467  134.109   60.572 37.05171 101.5175 
1 1 1  -18   17    2 o  502.299   63.495  565.083  124.462  565.083  124.462   0.0000   0.0000  502.299   63.495  ?   ?       ?      ? 
1 1 1  -18   17    3 o  422.959   89.556  459.831  143.213  459.831  143.213   0.0000   0.0000  422.959   89.556  ?   ?       ?      ? 
1 1 1  -18   17    4 o  168.543   52.641 -16.0784   76.059 -166.6018  124.348   73.900   96.141  139.852   68.400  197.234   80.036 -57.38109 105.2821 
1 1 1  -18   17    5 f  326.777   72.185  283.367   98.061  219.356  119.781  413.456  170.759  283.358   93.395  370.196  110.091 -86.83875 144.3699 
1 1 1  -18   17    6 o  218.954   61.036  110.139   76.765  116.060  103.719  102.968  114.152  221.494   85.197  216.413   87.423 5.080124 122.0711 
1 1 1  -18   17    7 o  273.189   67.498  178.928   81.071  132.430   94.921  304.306  155.870  230.505   82.836  315.872  106.594 -85.36732 134.9964 
1 1 1  -18   17    8 o  184.903   56.307   43.564   69.275   34.471   83.763   63.243  123.230  169.421   72.153  200.385   86.463 -30.96387 112.6144 
1 1 1  -18   17    9 o  263.142   66.100  134.850   75.904   73.330   86.184  347.578  160.262  191.286   76.422  334.999  107.874 -143.7133 132.2010 
1 1 1  -18   17   10 o  185.862   53.683   56.310   68.123  109.112   80.406 -77.9981  128.238  212.900   76.268  158.824   75.567 54.07649 107.3652 
1 1 1  -18   17   11 o  329.976   56.864  328.861   47.840  337.516   49.282  187.429  199.212  407.526   30.989  252.427  109.424 155.0988 113.7273 
1 1 1  -18   17   12 o  130.171   42.455   18.676   13.997   20.018   14.047 -169.1264  166.165   99.677   31.920  160.664   78.683 -60.98692 84.91091 
1 1 1  -18   17   13 f  294.593   56.929  242.464   40.446  244.808   41.131  173.833  222.543  346.667   30.403  242.519  109.723 104.1487 113.8571 
1 1 1  -18   17   14 o   59.157   25.011   0.9589   9.9420   0.9589   9.9420   0.0000   0.0000   59.157   25.011  ?   ?       ?      ? 
1 1 1  -18   17   15 o  184.987   55.227   48.134   21.038   47.406   21.129  131.985  226.810  147.660   36.799  222.314  104.144 -74.65375 110.4541 
1 1 1  -18   17   16 o  260.196   52.358  198.489   38.465  201.741   39.015   85.768  229.720  312.014   32.043  208.378   99.693 103.6358 104.7157 
1 1 1  -18   17   17 o  147.804   45.353   34.322   18.684   35.852   18.757 -162.6416  212.819  128.216   36.006  167.392   83.254 -39.17590 90.70631 
1 1 1  -18   17   18 o  294.695   59.515  246.219   41.934  242.897   42.487  371.359  260.789  341.263   31.903  248.127  114.675 93.13683 119.0303 
1 1 1  -18   17   19 o  167.725   46.227   44.222   20.035   42.183   20.334  112.018  117.261  138.134   36.985  197.316   84.734 -59.18219 92.45383 
1 1 1  -18   17   20 o  159.449   56.442 -38.8523   65.926 -52.8954   68.624  129.275  237.445  114.216   54.601  204.681   98.800 -90.46449 112.8834 
1 1 1  -18   17   21 o  141.775   41.377   37.671   23.517   41.129   23.936 -58.6325  126.315  135.423   41.430  148.126   71.636 -12.70277 82.75337 
1 1 1  -18   17   22 o  105.894   37.286  -2.8221   18.214  -0.4135   18.412 -112.9976  124.523   76.007   33.106  135.780   66.820 -59.77378 74.57154 
1 1 1  -18   18    1 o  249.131   66.749  160.107   87.296  208.992  140.828  129.602  111.248  269.378  100.228  228.883   88.181 40.49440 133.4972 
1 1 1  -18   18    2 o  212.267   84.667  100.523  105.618  100.523  105.618   0.0000   0.0000  212.267   84.667  ?   ?       ?      ? 
1 1 1  -18   18    3 o  219.318   61.383  110.562   78.290   85.430  108.033  138.358  113.614  205.075   84.216  233.561   89.327 -28.48622 122.7666 
1 1 1  -18   18    4 o  149.831   49.389 -49.2071   71.915 -100.3916  108.058  -8.5122   96.351  140.649   67.575  159.014   72.047 -18.36533 98.77801 
1 1 1  -18   18    5 o  269.253   61.890  188.404   86.367  310.903  119.666   55.222  124.775  341.162   88.963  197.344   86.064 143.8180 123.7801 
1 1 1  -18   18    6 o  304.338   69.016  258.725   88.601  241.032  106.464  298.585  159.800  300.907   86.229  307.769  107.783 -6.861847 138.0315 
1 1 1  -18   18    7 o  189.581   56.890   57.909   73.677   76.571   97.878   33.510  111.916  196.308   80.335  182.855   80.575 13.45288 113.7803 
1 1 1  -18   18    8 o  251.738   65.660  174.543   82.448  176.367   97.762  170.050  153.432  257.285   84.354  246.191  100.646 11.09488 131.3208 
1 1 1  -18   18    9 o  238.254   74.757  138.426  132.258  200.663  227.693  106.734  162.478  254.237  113.316  222.272   97.538 31.96452 149.5130 
1 1 1  -18   18   10 o  311.980   68.283  295.038   88.216  298.806   98.973  280.477  194.575  344.560   75.677  279.400  113.679 65.16037 136.5651 
1 1 1  -18   18   11 o  249.943   62.979  188.627   81.801  215.839   91.910   84.935  179.416  285.291   79.558  214.596   97.651 70.69547 125.9570 
1 1 1  -18   18   12 o  326.804   79.006  282.382   99.647  282.382   99.647   0.0000   0.0000  326.804   79.006  ?   ?       ?      ? 
1 1 1  -18   18   13 o   94.109   32.625   16.973   14.623   16.973   14.623   0.0000   0.0000   94.109   32.625  ?   ?       ?      ? 
1 1 1  -18   18   14 o  152.106   47.178   32.523   18.358   33.242   18.445 -42.8051  188.902  124.105   35.987  180.106   87.223 -56.00140 94.35507 
1 1 1  -18   18   15 o  217.223   52.496   99.911   27.420   98.774   27.695  156.304  195.065  217.744   32.593  216.701   99.805 1.043472 104.9922 
1 1 1  -18   18   16 o  256.512   54.448  171.358   34.803  169.920   35.296  221.815  209.073  285.688   31.659  227.336  104.193 58.35153 108.8964 
1 1 1  -18   18   17 o  179.056   46.486   74.391   27.232   77.288   27.487 -79.6320  200.422  186.769   38.973  171.343   84.408 15.42581 92.97121 
1 1 1  -18   18   18 o  233.763   56.187  121.647   31.968  118.723   32.288  266.870  227.534  236.797   34.941  230.729  106.803 6.067886 112.3735 
1 1 1  -18   18   19 f  185.565   56.624   88.445   78.377  123.029   85.596 -91.0115  194.984  204.232   77.672  166.898   82.414 37.33430 113.2477 
1 1 1  -18   18   20 o  186.200   44.262   91.343   28.963   95.685   29.380 -58.0134  172.334  208.590   37.471  163.810   80.203 44.78023 88.52498 
1 1 1  -18   18   21 o  240.863   52.285  150.461   35.151  147.544   35.868  221.203  176.657  262.717   34.985  219.010   98.543 43.70749 104.5692 
1 1 1  -18   19    1 o  212.097   59.436   90.407   77.097  171.473  112.787   19.303  105.629  250.343   90.259  173.850   77.356 76.49326 118.8722 
1 1 1  -18   19    2 o  245.650   91.041  164.629  115.970  164.629  115.970   0.0000   0.0000  245.650   91.041  ?   ?       ?      ? 
1 1 1  -18   19    3 o  258.432   63.178  185.568   80.915  231.869  108.905  128.512  120.894  290.849   88.244  226.015   90.436 64.83405 126.3554 
1 1 1  -18   19    4 o  131.830   44.832 -92.3522   67.380 -101.9532  100.782 -84.5919   90.607  133.740   64.509  129.920   62.276 3.820770 89.66389 
1 1 1  -18   19    5 o  208.320   63.352   84.354   93.004   59.984  127.687  111.894  135.738  197.330   86.533  219.310   92.552 -21.98007 126.7035 
1 1 1  -18   19    6 o  225.647   61.149  133.238   81.239  179.699   99.932   42.699  139.502  256.567   85.342  194.728   87.598 61.83896 122.2973 
1 1 1  -18   19    7 o  188.156   58.678   48.849   81.950   52.133  102.084   42.898  137.436  183.240   78.881  193.073   86.891 -9.833359 117.3558 
1 1 1  -18   19    8 o  195.500   60.327   49.547   82.205   2.8184  100.493  144.061  142.919  162.058   73.488  228.942   95.692 -66.88412 120.6544 
1 1 1  -18   19    9 o  274.568   83.577  306.976  156.746  393.431  266.781  261.397  193.707  284.717  124.961  264.418  111.020 20.29898 167.1546 
1 1 1  -18   19   10 o  252.866   86.085  185.951  101.669  185.951  101.669   0.0000   0.0000  252.866   86.085  ?   ?       ?      ? 
1 1 1  -18   19   11 o  153.965   51.789 -29.3700   76.134  -2.1554   84.966 -140.2369  171.492  147.383   67.118  160.547   78.891 -13.16444 103.5789 
1 1 1  -18   19   12 o  203.762   68.081   67.768  139.183  174.882  216.848  -7.2743  181.503  224.012  103.895  183.511   88.011 40.50124 136.1624 
1 1 1  -18   19   13 o  196.930   59.793   99.296   74.015  105.839   80.245   61.994  191.602  197.961   75.224  195.898   92.962 2.063019 119.5852 
1 1 1  -18   19   14 o  198.299   50.458   83.900   25.798   83.776   26.022   91.020  196.942  196.952   35.147  199.646   94.598 -2.694321 100.9160 
1 1 1  -18   19   15 o  274.497   64.929  271.602   82.668  272.549   89.067  265.714  222.118  316.050   73.589  232.943  106.995 83.10725 129.8587 
1 1 1  -18   19   16 o  142.502   44.392   30.195   17.863   31.380   17.945 -99.5257  187.734  120.161   35.678  164.842   81.300 -44.68115 88.78371 
1 1 1  -18   19   17 o  179.791   57.158   67.324   72.199   70.860   78.538   48.033  183.433  173.122   71.527  186.460   89.174 -13.33733 114.3155 
1 1 1  -18   19   18 o  160.487   43.228   58.175   25.602   62.311   25.903 -116.7958  168.480  166.191   40.346  154.783   76.465 11.40851 86.45621 
1 1 1  -18   19   19 o  168.689   46.592   59.604   26.214   60.433   26.584   30.412  157.759  162.612   41.695  174.766   83.335 -12.15414 93.18382 
1 1 1  -18   19   20 o  190.821   45.505   96.000   29.663   98.582   30.139   16.171  167.560  210.610   38.072  171.033   82.664 39.57722 91.00968 
1 1 1  -18   20    1 o  170.457   52.631   13.859   68.057   93.808  103.246 -47.5717   90.502  202.115   82.586  138.799   65.264 63.31616 105.2615 
1 1 1  -18   20    2 o  216.472   87.964  119.943  116.316  119.943  116.316   0.0000   0.0000  216.472   87.964  ?   ?       ?      ? 
1 1 1  -18   20    3 o  204.921   61.627   86.353   87.346   36.830  119.494  143.175  127.997  182.571   81.679  227.270   92.305 -44.69919 123.2548 
1 1 1  -18   20    4 o  235.475   66.474  157.079   91.221  121.500  119.213  207.341  141.692  216.145   88.580  254.804   99.139 -38.65932 132.9470 
1 1 1  -18   20    5 o  156.386   51.698 -26.9090   77.102 -39.8233  123.359 -18.6295   98.773  160.374   75.650  152.399   70.483 7.975250 103.3958 
1 1 1  -18   20    6 o  201.780   58.426   94.773   78.977  148.758  100.323   6.7973  128.070  229.359   84.742  174.202   80.458 55.15648 116.8530 
1 1 1  -18   20    7 o  198.467   80.867   97.426   98.642   97.426   98.642   0.0000   0.0000  198.467   80.867  ?   ?       ?      ? 
1 1 1  -18   20    8 o  204.534   81.350  111.785   97.250  111.785   97.250   0.0000   0.0000  204.534   81.350  ?   ?       ?      ? 
1 1 1  -18   20    9 o  144.756   47.424 -17.8050   64.463   11.304   84.547 -58.2244   99.628  151.163   68.079  138.349   66.041 12.81328 94.84811 
1 1 1  -18   20   10 o  193.247   62.263   71.191   94.912  133.926  176.845   45.810  112.485  211.378   96.481  175.117   78.729 36.26051 124.5263 
1 1 1  -18   20   11 o  159.889   51.302 -44.3523   61.978 -113.1368   72.034  151.711  121.616  102.535   50.529  217.243   89.299 -114.7074 102.6040 
1 1 1  -18   20   12 o  170.508   54.158   45.433   60.906   41.512   66.605   65.449  150.478  153.698   64.846  187.319   86.761 -33.62129 108.3161 
1 1 1  -18   20   13 o  153.537   52.059  -4.7225   61.475  -4.6674   65.390  -5.1417  180.374  129.383   58.905  177.690   85.853 -48.30606 104.1182 
1 1 1  -18   20   14 o  226.029   62.576  169.230   75.624  171.572   80.676  152.275  217.113  242.919   76.353  209.139   99.162 33.77922 125.1512 
1 1 1  -18   20   15 o  165.076   54.797   22.451   70.094   20.978   75.987   30.859  181.536  147.089   65.518  183.062   87.855 -35.97285 109.5949 
1 1 1  -18   20   16 o  211.252   46.807  114.672   29.078  116.057   29.552   72.562  162.940  235.225   32.194  187.279   87.903 47.94664 93.61310 
1 1 1  -18   20   17 o  154.660   42.502   50.106   22.992   52.561   23.314 -37.1999  139.024  152.849   38.967  156.472   75.546 -3.623093 85.00426 
1 1 1  -18   20   18 o  186.415   44.984   87.624   28.011   89.618   28.520   33.218  148.992  200.999   37.746  171.832   81.668 29.16704 89.96875 
1 1 1  -18   21    1 o  276.875   60.635  245.772   82.091  317.140  104.747  132.159  132.161  339.684   80.289  214.065   90.885 125.6188 121.2699 
1 1 1  -18   21    2 o  231.752  110.263  212.912  272.997  212.912  272.997   0.0000   0.0000  231.752  110.263  ?   ?       ?      ? 
1 1 1  -18   21    3 o  199.873   66.482   65.441  112.121  125.739  258.365   51.451  124.450  217.123  104.362  182.623   82.390 34.49965 132.9644 
1 1 1  -18   21    4 o  255.783  118.188  368.076  276.788  368.076  276.788   0.0000   0.0000  255.783  118.188  ?   ?       ?      ? 
1 1 1  -18   21    5 o  146.686   68.827 -26.3040   99.747 -26.3040   99.747   0.0000   0.0000  146.686   68.827  ?   ?       ?      ? 
1 1 1  -18   21    6 o  180.353   54.129   68.056   61.615   57.143   73.230   94.509  114.011  166.819   69.007  193.888   83.414 -27.06865 108.2581 
1 1 1  -18   21    7 o  142.910   46.223  -3.7032   53.919 -19.7960   65.704   29.485   94.356  124.263   57.476  161.556   72.408 -37.29286 92.44625 
1 1 1  -18   21    8 o  186.865   58.481   75.825   88.558 -24.6123  158.137  121.714  106.891  169.858   81.645  203.873   83.751 -34.01445 116.9620 
1 1 1  -18   21    9 o  153.685   50.879  -4.9185   73.847 -80.8717  143.749   22.313   86.073  153.562   74.763  153.808   69.030 -0.2458801 101.7579 
1 1 1  -18   21   10 o  217.063   66.157  166.413  102.163  146.897  172.574  176.943  126.763  209.205   95.419  224.922   91.662 -15.71759 132.3133 
1 1 1  -18   21   11 o  172.446   51.387   66.441   59.944   86.171   73.565   27.454  103.412  182.410   71.306  162.483   74.014 19.92651 102.7748 
1 1 1  -18   21   12 o  133.388   44.785 -40.5347   54.998 -64.1267   65.052   18.590  102.982  107.679   51.910  159.096   72.994 -51.41711 89.56976 
1 1 1  -18   21   13 o  173.928   52.852   67.825   61.048   76.843   69.307   36.610  128.947  175.245   68.999  172.610   80.077 2.634583 105.7036 
1 1 1  -18   21   14 o  153.539   48.604   32.194   54.280   44.384   60.150 -21.2799  125.980  150.963   62.502  156.115   74.450 -5.152252 97.20709 
1 1 1  -18   21   15 o  139.391   46.422  -5.5287   51.806  -6.1175   57.185  -2.8331  122.354  120.760   55.020  158.021   74.784 -37.26111 92.84373 
1 1 1  -18   21   16 o  229.697   60.746  167.994   64.786  154.744   70.915  234.855  159.301  231.575   71.390  227.818   98.303 3.757233 121.4910 
1 1 1  -18   22    1 o  189.140   92.470   4.3099  226.598   4.3099  226.598   0.0000   0.0000  189.140   92.470  ?   ?       ?      ? 
1 1 1  -18   22    2 o  198.556   97.486   48.513  260.122   48.513  260.122   0.0000   0.0000  198.556   97.486  ?   ?       ?      ? 
1 1 1  -18   22    3 o  177.832   61.186   5.3591   97.056   80.924  269.241  -5.9268  104.052  202.765   99.477  152.900   71.268 49.86539 122.3714 
1 1 1  -18   22    4 o  213.529   68.839  160.475  125.290   98.306  279.461  176.115  140.166  204.812  100.656  222.247   93.935 -17.43475 137.6783 
1 1 1  -18   22    5 o  170.985   54.315   20.959   67.394 -25.3907   79.165  142.987  128.451  131.808   61.676  210.162   89.424 -78.35435 108.6303 
1 1 1  -18   22    6 o  184.246   59.696   62.158  101.357 -107.6686  208.219  114.897  116.033  169.690   84.043  198.802   84.800 -29.11230 119.3910 
1 1 1  -18   22    7 o  190.479   62.048   75.812   97.632  140.010  183.735   50.553  115.249  206.826   95.822  174.131   78.855 32.69522 124.0966 
1 1 1  -18   22    8 o  148.969   48.214   7.5457   55.839  -5.0280   65.218   42.077  108.079  128.911   58.743  169.028   76.470 -40.11670 96.42815 
1 1 1  -18   22    9 o  170.997   49.334   62.404   59.428  111.223   70.243 -60.5402  111.472  200.457   71.341  141.536   68.161 58.92093 98.66862 
1 1 1  -18   22   10 o  158.176   74.068   1.6803  114.527   0.0000   0.0000   1.6803  114.527  ?   ?   158.176   74.068      ?      ? 
1 1 1  -18   22   11 o  179.785   53.670   81.624   64.786  100.604   74.216   20.849  132.804  190.791   72.381  168.778   79.264 22.01355 107.3393 
1 1 1  -18   22   12 o  137.588   45.973 -10.4661   53.098  -6.7839   58.877 -26.5093  122.896  122.094   55.706  153.081   73.149 -30.98651 91.94528 
1 1 1  -18   22   13 o  160.836   48.381   55.072   52.461   75.405   57.223 -52.0712  131.355  171.647   63.885  150.025   72.674 21.62202 96.76127 
1 1 1  -18   22   14 o  216.790   55.263  151.571   58.280  156.125   62.933  124.147  154.441  239.820   65.428  193.761   89.079 46.05830 110.5258 
1 1 1  -18   23    1 o  188.759   63.296   60.668  113.532  107.986  224.800   44.467  131.540  201.396   96.939  176.121   81.413 25.27510 126.5912 
1 1 1  -18   23    2 o  193.144   94.630   41.968  241.113   41.968  241.113   0.0000   0.0000  193.144   94.630  ?   ?       ?      ? 
1 1 1  -18   23    3 o  220.696   72.597  169.389  125.355  409.210  291.885  115.152  138.808  242.985  115.142  198.408   88.451 44.57756 145.1936 
1 1 1  -18   23    4 o  195.413   64.937   94.593  116.895   51.446  276.427  103.988  128.996  196.855   97.378  193.971   85.935 2.883438 129.8744 
1 1 1  -18   23    5 o  199.671   61.035  119.237   85.578  112.855  107.866  130.078  140.585  196.544   82.701  202.798   89.786 -6.254074 122.0694 
1 1 1  -18   23    6 o  183.315   57.667   77.641   77.225   75.046   89.611   85.133  152.236  176.937   74.964  189.693   87.650 -12.75629 115.3349 
1 1 1  -18   23    7 o  145.868   49.285 -32.4607   76.042  -7.7045   90.420 -92.2732  140.545  143.542   66.749  148.193   72.530 -4.651077 98.56995 
1 1 1  -18   23    8 o  221.973   65.719  164.111   85.201  134.526   97.071  263.372  177.805  207.096   81.621  236.849  103.024 -29.75294 131.4381 
1 1 1  -18   23    9 o  170.320   56.661   23.668   70.074   1.3262   76.188  146.330  178.521  137.696   63.031  202.945   94.175 -65.24933 113.3219 
1 1 1  -18   23   10 o  168.572   57.934 -15.0791  120.671 -10.8619  169.114 -19.4534  172.236  168.932   81.980  168.212   81.883 0.7196350 115.8683 
1 1 1  -18   23   11 o  176.276   55.497   71.501   62.666   70.457   66.918   78.944  178.635  167.562   67.200  184.990   88.340 -17.42723 110.9943 
1 1 1  -18   24    1 f  159.724   54.518 -29.9887  101.439 -49.5434  159.754 -16.7782  131.307  161.220   78.562  158.227   75.609 2.992798 109.0358 
1 1 1  -18   24    2 o  172.489   83.089   6.3770  165.907   6.3770  165.907   0.0000   0.0000  172.489   83.089  ?   ?       ?      ? 
1 1 1  -18   24    3 o  198.994   66.555  129.537  135.797  136.085  212.352  125.007  176.635  200.290   95.830  197.698   92.385 2.591080 133.1107 
1 1 1  -18   24    4 o  164.306   78.711  -4.2904  144.260   0.0000   0.0000  -4.2904  144.260  ?   ?   164.306   78.711      ?      ? 
1 1 1  -18   24    5 o  150.598   51.822 -80.5064   96.582   35.260  142.305 -179.3732  131.508  172.019   81.176  129.178   64.440 42.84094 103.6437 
1 1 1  -18   24    6 o  150.368   52.164 -90.4822   90.833 -166.0930  110.425   67.736  159.736  119.194   59.394  181.542   85.772 -62.34812 104.3286 
1 1 1  -18   24    7 o  319.397   65.379  462.750  110.593  515.640  125.679  281.259  232.811  419.328   79.717  219.467  103.647 199.8605 130.7573 
1 1 1  -17    0    1 o  436.777   17.605  376.991   42.122  376.991   42.122  376.991   42.122  436.777   24.897  436.777   24.897 0.000000 0.000000 
1 1 1  -17    0    2 f  574.272   27.446  657.000   86.072  657.000   86.072  657.000   86.072  574.272   38.814  574.272   38.814 0.000000 0.000000 
1 1 1  -17    0    3 o  636.119   19.956  797.314   69.743  797.314   69.743  797.314   69.743  636.119   28.222  636.119   28.222 0.000000 0.000000 
1 1 1  -17    0    4 o  858.585   33.147  1466.81  155.993  1466.81  155.993  1466.81  155.993  858.585   46.877  858.585   46.877 -0.000000 0.000000 
1 1 1  -17    0    5 o   60.050   22.386   10.213   9.8790   10.213   9.8790   10.213   9.8790   60.050   31.659   60.050   31.659 -0.000000 0.000000 
1 1 1  -17    0    6 o  359.207   16.776  255.751   32.925  255.751   32.925  255.751   32.925  359.207   23.725  359.207   23.725 -0.000000 0.000000 
1 1 1  -17    0    7 o  177.505   18.270   65.454   16.791   65.454   16.791   65.454   16.791  177.505   25.838  177.505   25.838 -0.000000 0.000000 
1 1 1  -17    0    8 o  266.653   17.255  142.616   24.903  142.616   24.903  142.616   24.903  266.653   24.402  266.653   24.402 0.000000 0.000000 
1 1 1  -17    0    9 o  328.390   24.391  218.609   43.089  218.609   43.089  218.609   43.089  328.390   34.495  328.390   34.495 -0.000000 0.000000 
1 1 1  -17    0   10 o  700.660   20.873  967.686   80.388  967.686   80.388  967.686   80.388  700.660   29.519  700.660   29.519 -0.000000 0.000000 
1 1 1  -17    0   11 o  192.731   19.262   76.981   19.308   76.981   19.308   76.981   19.308  192.731   27.240  192.731   27.240 0.000000 0.000000 
1 1 1  -17    0   12 o  316.604   16.822  199.531   29.012  199.531   29.012  199.531   29.012  316.604   23.790  316.604   23.790 0.000000 0.000000 
1 1 1  -17    0   13 o  325.165   17.635  210.702   31.218  210.702   31.218  210.702   31.218  325.165   24.939  325.165   24.939 -0.000000 0.000000 
1 1 1  -17    0   14 o  410.217   18.015  333.473   40.423  333.473   40.423  333.473   40.423  410.217   25.476  410.217   25.476 0.000000 0.000000 
1 1 1  -17    0   15 o  191.357   20.797   76.693   20.420   76.693   20.420   76.693   20.420  191.357   29.411  191.357   29.411 0.000000 0.000000 
1 1 1  -17    0   16 o  190.455   37.678   86.563   34.271   86.563   34.271   86.563   34.271  190.455   53.285  190.455   53.285 -0.000000 0.000000 
1 1 1  -17    0   17 o  204.542   21.952   87.633   23.089   87.633   23.089   87.633   23.089  204.542   31.045  204.542   31.045 -0.000000 0.000000 
1 1 1  -17    0   18 o  245.195   20.499  122.993   26.720  122.993   26.720  122.993   26.720  245.195   28.990  245.195   28.990 -0.000000 0.000000 
1 1 1  -17    0   19 o  200.162   23.662   85.227   23.943   85.227   23.943   85.227   23.943  200.162   33.464  200.162   33.464 -0.000000 0.000000 
1 1 1  -17    0   20 o   62.848   26.830   7.7878   17.022   7.7878   17.022   7.7878   17.022   62.848   37.944   62.848   37.944 -0.000000 0.000000 
1 1 1  -17    0   21 o   72.733   27.965   14.957   15.845   14.957   15.845   14.957   15.845   72.733   39.548   72.733   39.548 0.000000 0.000000 
1 1 1  -17    0   22 o   50.972   23.187   0.5387   14.965   0.5387   14.965   0.5387   14.965   50.972   32.791   50.972   32.791 0.000000 0.000000 
1 1 1  -17    0   23 o  162.341   29.618   61.914   22.934   61.914   22.934   61.914   22.934  162.341   41.886  162.341   41.886 -0.000000 0.000000 
1 1 1  -17    0   24 o  121.281   33.853   40.746   21.787   40.746   21.787   40.746   21.787  121.281   47.876  121.281   47.876 -0.000000 0.000000 
1 1 1  -17    0   25 o  331.096   21.360  223.228   38.283  223.228   38.283  223.228   38.283  331.096   30.207  331.096   30.207 0.000000 0.000000 
1 1 1  -17    0   26 o  236.804   26.263  120.259   31.802  120.259   31.802  120.259   31.802  236.804   37.142  236.804   37.142 -0.000000 0.000000 
1 1 1  -17    0   27 o  222.772   58.176  145.085   66.283  145.085   66.283  145.085   66.283  222.772   82.274  222.772   82.274 -0.000000 0.000000 
1 1 1  -17    0   28 o   31.414   16.190 -36.9250   16.487 -36.9250   16.487 -36.9250   16.487   31.414   22.895   31.414   22.895 0.000000 0.000000 
1 1 1  -17    0   29 o  251.896   28.140  138.456   36.199  138.456   36.199  138.456   36.199  251.896   39.797  251.896   39.797 -0.000000 0.000000 
1 1 1  -17    0   30 o   75.664   32.186   13.601   24.321   13.601   24.321   13.601   24.321   75.664   45.518   75.664   45.518 0.000000 0.000000 
1 1 1  -17    0   31 o   46.757   23.346 -26.9576   24.279 -26.9576   24.279 -26.9576   24.279   46.757   33.017   46.757   33.017 -0.000000 0.000000 
1 1 1  -17    0   32 o  492.842   42.472  558.116  110.939  558.116  110.939  558.116  110.939  492.842   60.065  492.842   60.065 -0.000000 0.000000 
1 1 1  -17    1    1 o  555.794   18.783  606.818   40.733  620.266   58.136  593.850   57.087  561.848   26.515  549.740   26.610 12.10785 37.56561 
1 1 1  -17    1    2 o  859.266   23.080  1455.66   77.381  1474.60  110.549  1437.47  108.351  864.711   32.761  853.821   32.519 10.88989 46.15975 
1 1 1  -17    1    3 o  348.415   18.647  195.555   22.490  151.734   25.576  344.986   47.230  278.091   23.568  418.739   28.903 -140.6480 37.29380 
1 1 1  -17    1    4 o  516.911   22.032  496.980   41.142  604.873   76.853  453.641   48.709  553.270   35.595  480.551   25.974 72.71884 44.06437 
1 1 1  -17    1    5 o  473.064   17.870  439.373   32.984  429.218   46.287  449.850   47.016  467.499   25.372  478.628   25.172 -11.12891 35.73974 
1 1 1  -17    1    6 o  591.732   19.262  688.334   44.478  681.575   62.579  695.235   63.228  588.798   27.235  594.667   27.246 -5.869446 38.52417 
1 1 1  -17    1    7 o  214.334   21.266   95.473   16.184  104.429   20.288   79.802   26.837  230.737   22.532  197.931   36.074 32.80551 42.53271 
1 1 1  -17    1    8 o  756.881   26.580  1121.02   73.358  1173.20  130.510  1096.92   88.695  767.669   43.565  746.093   30.463 21.57635 53.15935 
1 1 1  -17    1    9 o  156.483   24.227   49.834   14.444   62.650   21.201   38.732   19.733  175.524   32.136  137.442   36.264 38.08188 48.45443 
1 1 1  -17    1   10 o  657.523   20.177  850.887   51.755  831.217   72.083  871.816   74.354  649.706   28.430  665.339   28.637 -15.63336 40.35316 
1 1 1  -17    1   11 o  308.593   16.874  187.094   20.316  191.388   28.688  182.774   28.774  312.173   23.549  305.014   24.174 7.158966 33.74819 
1 1 1  -17    1   12 o  722.229   21.146  1028.56   59.590  1014.08   83.396  1043.67   85.178  717.062   29.803  727.397   30.007 -10.33453 42.29210 
1 1 1  -17    1   13 o  198.902   18.075   77.827   14.029   78.184   19.738   77.463   19.942  199.374   25.369  198.429   25.753 0.9454803 36.15006 
1 1 1  -17    1   14 o  333.732   17.461  219.025   22.724  230.230   32.338  208.097   31.937  342.214   24.215  325.251   25.162 16.96240 34.92152 
1 1 1  -17    1   15 o  206.715   19.142   84.312   15.418   89.164   21.718   79.382   21.891  212.786   26.155  200.644   27.958 12.14226 38.28473 
1 1 1  -17    1   16 o  269.473   29.688  149.783   29.741  183.194   41.733  115.305   42.394  303.678   35.215  235.269   47.805 68.40872 59.37564 
1 1 1  -17    1   17 o  112.081   23.981   24.947   11.505   30.215   16.417   19.863   16.129  121.468   33.533  102.695   34.291 18.77323 47.96163 
1 1 1  -17    1   18 o  537.627   19.381  571.903   40.658  579.316   57.477  564.479   57.522  541.166   27.216  534.087   27.599 7.078125 38.76110 
1 1 1  -17    1   19 o  307.875   18.621  187.707   22.366  182.251   31.478  193.270   31.786  303.311   26.594  312.438   26.070 -9.126648 37.24103 
1 1 1  -17    1   20 o  262.625   25.011  138.080   25.520  157.543   37.490  121.274   34.838  280.016   34.308  245.233   36.403 34.78296 50.02239 
1 1 1  -17    1   21 o  497.431   19.292  493.376   37.448  489.430   52.669  497.410   53.253  495.436   27.242  499.426   27.324 -3.990143 38.58392 
1 1 1  -17    1   22 o  425.089   19.186  359.866   31.741  326.289   43.435  398.347   46.499  403.733   27.569  446.445   26.690 -42.71225 38.37159 
1 1 1  -17    1   23 o  493.309   19.899  489.001   38.301  478.665   53.717  499.689   54.627  487.973   28.209  498.645   28.073 -10.67184 39.79722 
1 1 1  -17    1   24 o  194.520   23.916   78.422   17.740   74.743   25.364   81.944   24.821  188.157   35.852  200.883   31.662 -12.72623 47.83163 
1 1 1  -17    1   25 o  247.983   22.893  125.398   22.134  125.605   31.985  125.207   30.661  247.952   33.056  248.014   31.680 -0.6161499E-01 45.78508 
1 1 1  -17    1   26 o  281.332   22.929  162.947   24.800  130.628   34.684  196.755   35.474  251.370   35.358  311.294   29.201 -59.92480 45.85718 
1 1 1  -17    1   27 o  415.014   38.278  390.866   61.794  400.088   85.029  380.544   89.960  422.930   51.519  407.099   56.627 15.83160 76.55542 
1 1 1  -17    1   28 o  168.261   30.702   64.402   20.503   53.249   29.519   74.799   28.500  153.155   45.825  183.368   40.872 -30.21286 61.40386 
1 1 1  -17    1   29 o  134.756   28.544   35.588   18.208   67.286   27.112   9.5463   24.574  173.121   40.799   96.391   39.932 76.73008 57.08897 
1 1 1  -17    1   30 o  135.180   30.246   39.171   19.666   14.703   28.578   61.179   27.104  106.221   43.432  164.138   42.108 -57.91650 60.49299 
1 1 1  -17    1   31 o  148.331   34.876   51.232   23.845   42.851   35.615   58.040   32.101  139.455   50.652  157.207   47.957 -17.75246 69.75285 
1 1 1  -17    2    1 o  411.522   17.065  331.833   27.378  320.890   37.709  344.031   39.814  404.382   23.896  418.662   24.369 -14.28003 34.12989 
1 1 1  -17    2    2 o  613.266   19.784  739.997   47.318  756.707   66.295  722.645   67.559  620.428   27.382  606.105   28.563 14.32312 39.56746 
1 1 1  -17    2    3 o  956.526   35.310  1827.93  131.701  1783.38  181.978  1876.93  190.844  944.563   49.369  968.490   50.495 -23.92688 70.61940 
1 1 1  -17    2    4 o  691.646   25.282  949.820   64.657  931.266  110.145  959.575   79.866  685.028   41.202  698.264   29.309 -13.23639 50.56370 
1 1 1  -17    2    5 o  531.348   18.522  554.101   38.384  578.126   55.318  531.794   53.305  542.451   26.132  520.244   26.256 22.20752 37.04410 
1 1 1  -17    2    6 o  1055.50   26.574  2205.30  109.453  2199.08  154.072  2211.63  155.518  1054.05   37.457  1056.95   37.705 -2.901489 53.14737 
1 1 1  -17    2    7 o  553.931   22.943  603.392   46.752  599.559   57.196  611.109   81.158  552.290   26.538  555.573   37.433 -3.282471 45.88594 
1 1 1  -17    2    8 o  355.630   23.708  249.254   32.866  265.623   47.644  234.394   45.395  366.777   33.287  344.483   33.769 22.29434 47.41669 
1 1 1  -17    2    9 o  122.211   21.203   31.781   10.109   38.020   13.074   22.507   15.940  136.954   25.398  107.468   33.960 29.48603 42.40638 
1 1 1  -17    2   10 o  552.131   18.871  599.678   40.659  599.240   57.326  600.121   57.677  551.940   26.615  552.321   26.759 -0.3813477 37.74150 
1 1 1  -17    2   11 o  677.536   20.530  903.853   54.252  880.894   75.241  928.717   78.300  668.627   28.836  686.445   29.230 -17.81805 41.05961 
1 1 1  -17    2   12 o  168.256   18.953   56.727   12.060   48.267   16.922   65.457   17.191  154.001   29.227  182.511   24.136 -28.51031 37.90513 
1 1 1  -17    2   13 o  373.864   17.527  274.867   25.565  282.730   36.198  267.042   36.110  379.237   24.459  368.491   25.111 10.74561 35.05444 
1 1 1  -17    2   14 o  174.181   19.234   59.771   13.069   57.691   18.427   61.875   18.537  171.107   27.596  177.254   26.799 -6.146698 38.46706 
1 1 1  -17    2   15 o  336.743   26.163  224.230   34.259  212.200   46.143  239.007   51.140  326.867   36.175  346.618   37.808 -19.75146 52.32623 
1 1 1  -17    2   16 o  420.238   22.608  355.517   35.137  330.919   58.957  369.066   43.757  407.706   37.056  432.770   25.909 -25.06403 45.21518 
1 1 1  -17    2   17 o  627.366   20.273  778.383   49.629  790.724   70.343  766.152   70.031  632.366   28.505  622.367   28.835 9.998901 40.54589 
1 1 1  -17    2   18 o  236.026   19.459  110.323   17.892  118.430   25.431  102.377   25.177  244.723   26.629  227.328   28.381 17.39519 38.91719 
1 1 1  -17    2   19 o  346.454   18.675  237.731   25.240  235.048   35.151  240.588   36.264  344.488   26.147  348.420   26.671 -3.931641 37.34998 
1 1 1  -17    2   20 o  400.982   25.328  324.049   39.610  325.268   57.026  322.912   55.059  401.502   36.396  400.461   35.232 1.041504 50.65523 
1 1 1  -17    2   21 o  209.269   22.187   89.388   17.532  103.776   24.977   75.413   24.616  227.932   28.081  190.607   34.358 37.32472 44.37310 
1 1 1  -17    2   22 o   99.084   24.221   17.255   12.233   4.1738   18.499   27.422   16.309   83.007   34.538  115.161   33.968 -32.15421 48.44250 
1 1 1  -17    2   23 o  349.923   19.772  245.788   26.983  235.215   37.458  257.192   38.903  342.075   28.060  357.772   27.864 -15.69717 39.54486 
1 1 1  -17    2   24 o  113.063   26.050   24.677   14.333   7.9187   21.428   38.245   19.281   91.981   37.609  134.145   36.056 -42.16413 52.10036 
1 1 1  -17    2   25 o  231.138   23.136  109.021   20.827  118.340   29.853  100.184   29.071  241.061   31.735  221.216   33.675 19.84418 46.27227 
1 1 1  -17    2   26 o  209.536   26.330   92.891   20.973   88.323   30.568   96.955   28.829  202.138   40.167  216.934   34.054 -14.79579 52.66006 
1 1 1  -17    2   27 o  292.228   43.892  191.156   49.362  124.446   62.295  303.718   80.919  221.701   66.623  362.755   57.162 -141.0532 87.78440 
1 1 1  -17    2   28 o   70.777   22.966 -10.0777   13.755 -16.3478   23.972  -6.9998   16.795   74.605   34.581   66.949   30.230 7.655884 45.93108 
1 1 1  -17    2   29 o  183.777   29.166   78.721   21.813   39.640   31.930  112.921   29.869  135.492   48.112  232.063   32.983 -96.57022 58.33239 
1 1 1  -17    2   30 o  282.599   24.706  169.975   27.083  157.249   39.339  181.440   37.341  271.005   37.198  294.193   32.525 -23.18811 49.41235 
1 1 1  -17    2   31 o  470.052   40.479  483.599   74.251   0.0000   0.0000  483.599   74.251  ?   ?   470.052   40.479      ?      ? 
1 1 1  -17    3    1 o  388.973   17.098  297.226   25.927  305.546   36.203  288.466   37.149  394.628   23.508  383.317   24.835 11.31107 34.19676 
1 1 1  -17    3    2 o  895.298   29.014  1621.12   97.835  1725.41  125.614  1460.31  155.987  934.811   34.434  855.784   46.708 79.02618 58.02854 
1 1 1  -17    3    3 o  756.205   30.753  1130.27   90.463  1225.76  134.639  1051.69  122.141  784.996   43.951  727.415   43.028 57.58173 61.50687 
1 1 1  -17    3    4 f  1085.54   33.154  2357.68  132.884  2327.37  227.208  2373.43  163.824  1076.30   54.095  1094.77   38.346 -18.47192 66.30774 
1 1 1  -17    3    5 o  261.974   16.049  134.775   16.374  145.093   23.198  124.533   23.114  272.027   21.853  251.922   23.511 20.10536 32.09855 
1 1 1  -17    3    6 o  734.926   42.783  1073.94  122.701  1073.94  122.701   0.0000   0.0000  734.926   42.783  ?   ?       ?      ? 
1 1 1  -17    3    7 o  166.350   21.169   57.783   12.779   64.249   16.259   47.333   20.669  180.951   23.025  151.750   35.529 29.20105 42.33801 
1 1 1  -17    3    8 o  435.483   34.703  374.913   58.975   0.0000   0.0000  374.913   58.975  ?   ?   435.483   34.703      ?      ? 
1 1 1  -17    3    9 o  585.073   19.265  673.490   43.985  680.969   62.350  666.081   62.061  588.322   27.157  581.824   27.333 6.497864 38.53091 
1 1 1  -17    3   10 o  632.192   19.915  785.609   49.081  756.424   67.564  818.219   71.418  619.830   27.933  644.555   28.393 -24.72479 39.82994 
1 1 1  -17    3   11 o  470.041   18.119  434.466   33.227  448.112   47.204  421.064   46.778  477.397   25.338  462.685   25.908 14.71191 36.23806 
1 1 1  -17    3   12 o   66.898   18.564   4.8002   7.2151   0.7836   10.764   8.0773   9.7227   61.930   26.095   71.867   26.410 -9.937683 37.12711 
1 1 1  -17    3   13 o  379.864   17.730  283.818   26.245  304.039   37.416  264.232   36.824  393.266   24.380  366.461   25.749 26.80530 35.46001 
1 1 1  -17    3   14 o  276.411   18.063  150.049   19.461  144.100   26.746  156.742   28.371  270.620   25.326  282.201   25.762 -11.58060 36.12623 
1 1 1  -17    3   15 f  620.091   28.879  765.703   69.746  737.678   95.104  798.314  102.590  608.108   40.076  632.075   41.592 -23.96674 57.75803 
1 1 1  -17    3   16 o  320.096   18.212  201.837   22.743  197.669   31.732  206.239   32.615  316.710   25.674  323.482   25.836 -6.772339 36.42373 
1 1 1  -17    3   17 o  313.891   18.641  194.029   22.804  182.054   31.398  207.399   33.174  303.648   26.497  324.134   26.227 -20.48630 37.28185 
1 1 1  -17    3   18 o  291.677   18.774  168.290   21.365  167.955   29.912  168.638   30.528  291.418   26.302  291.935   26.797 -0.5171509 37.54813 
1 1 1  -17    3   19 o   62.200   19.010  -2.4465   8.8244 -15.5207   14.997   4.4771   10.914   56.661   26.618   67.738   27.148 -11.07724 38.02046 
1 1 1  -17    3   20 o  457.703   26.154  423.901   46.679  410.507   66.510  436.903   65.530  450.190   37.858  465.215   36.096 -15.02460 52.30798 
1 1 1  -17    3   21 o  502.237   19.586  503.777   38.364  527.605   54.649  480.624   53.869  514.136   27.238  490.337   28.152 23.79956 39.17178 
1 1 1  -17    3   22 o  410.145   19.667  337.562   31.413  362.740   44.492  312.537   44.357  425.811   26.775  394.479   28.814 31.33215 39.33437 
1 1 1  -17    3   23 o  349.903   20.160  247.096   27.360  279.426   38.889  215.407   38.501  373.290   26.696  326.515   30.216 46.77496 40.31945 
1 1 1  -17    3   24 o  113.843   26.587   25.462   14.624   10.360   22.379   36.719   19.321   96.163   38.757  131.524   36.405 -35.36130 53.17355 
1 1 1  -17    3   25 o  427.811   20.525  370.224   34.257  364.822   47.818  375.921   49.102  424.697   28.852  430.924   29.199 -6.227570 41.04917 
1 1 1  -17    3   26 o  214.974   34.723   92.550   24.765  128.784   52.817   82.339   28.038  234.145   58.084  195.803   38.065 38.34232 69.44596 
1 1 1  -17    3   27 o  491.470   32.949  524.900   52.296  521.848   59.542  535.199  109.381  504.098   30.267  478.843   58.535 25.25522 65.89734 
1 1 1  -17    3   28 o  249.794   25.238  130.882   24.502  148.066   36.247  116.424   33.248  265.137   35.032  234.451   36.340 30.68677 50.47613 
1 1 1  -17    3   29 o  500.852   22.153  521.340   43.203  504.837   58.842  540.641   63.637  493.019   30.584  508.685   32.058 -15.66565 44.30647 
1 1 1  -17    3   30 o  160.956   32.234   59.150   21.106   68.510   31.824   51.799   28.201  171.568   46.410  150.344   44.747 21.22427 64.46793 
1 1 1  -17    3   31 o  237.957   35.488  137.926   31.869  110.290   50.021  156.809   41.348  207.693   58.966  268.220   39.503 -60.52696 70.97518 
1 1 1  -17    4    1 o  330.538   16.722  214.263   21.563  208.864   30.074  219.976   30.935  326.257   23.621  334.819   23.676 -8.562317 33.44407 
1 1 1  -17    4    2 o  579.470   23.926  681.981   51.379  733.123   64.844  595.715   84.218  610.682   27.210  548.259   39.363 62.42242 47.85190 
1 1 1  -17    4    3 o  361.015   25.078  258.880   34.966  303.580   49.749  215.241   49.155  392.340   32.493  329.690   38.206 62.64960 50.15503 
1 1 1  -17    4    4 o  362.141   21.130  265.240   28.409  233.537   46.520  284.096   35.876  343.845   34.669  380.437   24.165 -36.59271 42.26020 
1 1 1  -17    4    5 o  497.221   18.217  485.058   35.323  466.918   48.868  504.905   51.116  487.510   25.687  506.933   25.839 -19.42291 36.43420 
1 1 1  -17    4    6 o  739.974   30.390  1078.87   87.758   0.0000   0.0000  1078.87   87.758  ?   ?   739.974   30.390      ?      ? 
1 1 1  -17    4    7 o  497.713   26.082  486.923   50.659   0.0000   0.0000  486.923   50.659  ?   ?   497.713   26.082      ?      ? 
1 1 1  -17    4    8 o  149.639   20.819   46.664   11.593   53.156   15.069   37.250   18.146  164.549   23.467  134.730   34.395 29.81892 41.63774 
1 1 1  -17    4    9 o  972.563   25.082  1865.56   94.958  1782.20  128.867  1964.59  140.463  949.140   34.792  995.987   36.139 -46.84760 50.16485 
1 1 1  -17    4   10 o  586.596   19.406  675.038   44.341  638.929   60.501  716.942   65.175  569.751   27.211  603.442   27.677 -33.69177 38.81287 
1 1 1  -17    4   11 o  564.903   19.132  627.468   42.149  607.573   58.358  649.163   60.942  555.579   26.917  574.227   27.196 -18.64850 38.26384 
1 1 1  -17    4   12 o  483.298   18.381  459.023   34.642  444.000   47.923  475.464   50.135  475.048   25.851  491.547   26.136 -16.49847 36.76102 
1 1 1  -17    4   13 o  595.285   19.618  698.210   45.566  695.363   63.857  701.163   65.039  594.090   27.544  596.479   27.941 -2.388794 39.23513 
1 1 1  -17    4   14 o  375.499   17.920  277.162   26.235  270.212   36.194  284.857   38.082  370.584   25.028  380.414   25.653 -9.829681 35.83924 
1 1 1  -17    4   15 o  255.105   28.586  121.897   26.836   93.811   33.088  175.886   45.875  213.285   41.246  296.924   39.591 -83.63956 57.17241 
1 1 1  -17    4   16 o  431.568   18.448  366.544   31.035  351.274   42.673  383.691   45.218  422.078   25.908  441.058   26.271 -18.98083 36.89700 
1 1 1  -17    4   17 o  180.519   22.531   66.051   15.262   48.737   21.033   85.306   22.180  153.326   35.801  207.711   27.364 -54.38504 45.06129 
1 1 1  -17    4   18 o  527.269   19.471  550.982   40.052  553.248   56.018  548.612   57.287  528.489   27.162  526.050   27.906 2.437927 38.94257 
1 1 1  -17    4   19 o  346.547   18.647  238.136   25.206  235.788   35.058  240.649   36.267  344.848   26.051  348.247   26.686 -3.399261 37.29383 
1 1 1  -17    4   20 o  308.957   24.781  187.857   29.505  227.299   46.244  160.778   38.317  335.556   35.315  282.358   34.775 53.19794 49.56200 
1 1 1  -17    4   21 o  521.393   19.859  542.706   40.350  522.555   55.300  565.649   59.007  511.232   27.719  531.555   28.446 -20.32236 39.71776 
1 1 1  -17    4   22 o   68.671   20.824   0.1845   9.8626 -13.4622   18.547   5.5646   11.646   66.531   30.690   70.812   28.155 -4.280762 41.64829 
1 1 1  -17    4   23 o  415.436   19.961  347.112   32.328  341.936   44.588  352.850   46.939  412.406   27.705  418.465   28.744 -6.059357 39.92222 
1 1 1  -17    4   24 o  182.789   26.137   70.818   17.957   73.710   26.542   68.376   24.386  185.973   37.860  179.605   36.046 6.367966 52.27475 
1 1 1  -17    4   25 o  326.612   22.293  217.835   28.303  239.925   40.125  195.961   39.930  343.823   29.905  309.400   33.071 34.42252 44.58690 
1 1 1  -17    4   26 o  127.916   40.650   0.7158   36.987   6.2647   41.896 -18.8889   78.749  116.929   50.434  138.903   63.766 -21.97374 81.30030 
1 1 1  -17    4   27 o  360.243   22.933  269.269   32.165  275.060   44.354  262.845   46.714  365.166   31.125  355.320   33.690 9.845612 45.86683 
1 1 1  -17    4   28 o   78.354   24.378  -1.8909   14.212 -24.1395   27.440   6.2642   16.613   76.149   35.847   80.558   33.047 -4.408569 48.75526 
1 1 1  -17    4   29 o  243.587   27.756  130.928   25.125  100.670   35.595  160.972   35.469  210.087   44.785  277.088   32.802 -67.00073 55.51295 
1 1 1  -17    4   30 o  376.019   23.719  298.460   34.726  307.702   48.111  288.409   50.175  383.224   32.171  368.814   34.861 14.41016 47.43700 
1 1 1  -17    4   31 o  275.833   35.829  186.774   35.922  142.419   56.298  217.232   46.652  234.721   60.929  316.945   37.719 -82.22420 71.65890 
1 1 1  -17    5    1 o  805.807   27.694  1268.57   80.611  1239.17   96.646  1335.79  146.132  792.958   31.232  818.655   45.742 -25.69684 55.38723 
1 1 1  -17    5    2 o  414.041   24.151  335.628   38.726  282.464   52.407  399.577   57.478  378.027   35.525  450.054   32.727 -72.02686 48.30185 
1 1 1  -17    5    3 o  562.319   23.170  622.324   48.116  628.611   82.820  619.121   59.116  563.461   37.665  561.177   26.994 2.284546 46.33981 
1 1 1  -17    5    4 o  531.682   18.642  554.588   38.642  532.345   53.233  579.363   56.181  520.456   26.210  542.908   26.517 -22.45166 37.28445 
1 1 1  -17    5    5 o  896.316   23.911  1585.69   83.587  1558.79  115.880  1614.88  120.687  888.520   33.420  904.111   34.206 -15.59045 47.82230 
1 1 1  -17    5    6 o  414.098   35.483  339.179   57.339  339.179   57.339   0.0000   0.0000  414.098   35.483  ?   ?       ?      ? 
1 1 1  -17    5    7 o  264.191   23.323  137.014   24.045   0.0000   0.0000  137.014   24.045  ?   ?   264.191   23.323      ?      ? 
1 1 1  -17    5    8 o  475.140   21.859  448.264   38.491  455.034   47.717  435.654   65.124  481.142   25.414  469.138   35.572 12.00394 43.71754 
1 1 1  -17    5    9 o  546.681   18.890  586.558   40.247  558.916   55.228  617.864   58.773  533.008   26.552  560.354   26.877 -27.34662 37.78094 
1 1 1  -17    5   10 o  404.434   17.512  321.042   27.614  310.590   38.092  332.618   40.088  397.531   24.555  411.336   24.974 -13.80493 35.02323 
1 1 1  -17    5   11 o  365.204   17.315  262.157   24.670  261.721   34.487  262.614   35.306  364.923   24.217  365.486   24.754 -0.5629272 34.62963 
1 1 1  -17    5   12 o  521.335   18.843  535.104   38.328  547.685   54.322  522.632   54.088  527.482   26.390  515.188   26.903 12.29407 37.68554 
1 1 1  -17    5   13 o  493.289   18.604  479.098   35.808  479.065   50.238  479.133   51.053  493.307   26.097  493.271   26.522 0.3652954E-01 37.20802 
1 1 1  -17    5   14 o  529.687   24.555  573.742   47.277  609.005   58.318  506.132   80.750  555.907   26.882  503.466   41.100 52.44022 49.11061 
1 1 1  -17    5   15 o  139.158   23.927   42.889   14.082   14.501   22.971   59.983   17.825  103.873   40.055  174.444   26.184 -70.57098 47.85436 
1 1 1  -17    5   16 o  369.220   18.778  269.439   27.005  275.709   37.342  262.564   39.100  373.881   25.594  364.560   27.484 9.320374 37.55512 
1 1 1  -17    5   17 o  557.607   19.734  614.427   42.888  592.920   58.892  638.715   62.582  547.333   27.572  567.880   28.240 -20.54706 39.46786 
1 1 1  -17    5   18 o  232.102   20.049  106.965   18.150  107.367   25.289  106.537   26.065  232.621   27.858  231.583   28.842 1.038452 40.09851 
1 1 1  -17    5   19 o  321.027   25.565  206.955   31.749  213.451   48.477  202.076   42.013  324.813   38.245  317.241   33.936 7.571747 51.13055 
1 1 1  -17    5   20 o  543.480   20.277  590.597   42.943  598.639   59.408  581.797   62.146  547.745   27.793  539.215   29.534 8.529297 40.55475 
1 1 1  -17    5   21 o  186.275   24.174   71.661   17.153   64.818   24.356   78.394   24.161  175.348   36.768  197.202   31.396 -21.85400 48.34860 
1 1 1  -17    5   22 o  498.267   20.180  499.712   39.195  515.401   54.798  483.275   56.086  506.705   27.712  489.829   29.341 16.87555 40.35959 
1 1 1  -17    5   23 o  389.230   20.206  305.881   30.621  316.407   42.406  294.412   44.264  396.743   27.390  381.716   29.715 15.02759 40.41261 
1 1 1  -17    5   24 o  398.031   20.752  321.033   32.164  335.958   44.822  305.189   46.181  408.152   28.141  387.910   30.507 20.24164 41.50413 
1 1 1  -17    5   25 o  439.942   21.455  393.687   36.784  392.790   50.714  394.681   53.433  439.880   29.543  440.004   31.119 -0.1236572 42.90922 
1 1 1  -17    5   26 o  461.748   37.745  474.660   65.034  465.710   81.077  490.809  108.905  464.687   44.710  458.809   60.825 5.878387 75.48974 
1 1 1  -17    5   27 o  229.319   26.854  113.858   23.197  101.804   33.997  124.360   31.732  214.310   42.153  244.328   33.281 -30.01845 53.70726 
1 1 1  -17    5   28 o  458.658   21.958  437.134   39.273  440.077   54.656  433.993   56.469  460.841   30.392  456.474   31.700 4.366608 43.91537 
1 1 1  -17    5   29 o  308.993   23.986  201.213   28.915  206.845   41.013  195.647   40.771  313.563   33.517  304.423   34.320 9.140137 47.97116 
1 1 1  -17    5   30 o  325.286   26.446  223.847   33.257  187.685   44.315  270.474   50.321  294.747   38.527  355.824   36.239 -61.07690 52.89273 
1 1 1  -17    5   31 o   89.363   28.126  -4.0525   19.981 -87.2980   48.826   12.692   21.898   83.187   41.108   95.539   38.397 -12.35213 56.25165 
1 1 1  -17    6    1 o  672.744   24.328  885.254   60.689  866.157   74.601  922.625  104.360  663.362   28.818  682.126   39.205 -18.76318 48.65654 
1 1 1  -17    6    2 o  644.908   38.856  824.528   97.788   0.0000   0.0000  824.528   97.788  ?   ?   644.908   38.856      ?      ? 
1 1 1  -17    6    3 o  454.460   53.779  545.579   49.992  572.322   52.715  306.628  157.575  539.779   25.026  369.140  104.607 170.6390 107.5589 
1 1 1  -17    6    4 o  894.880   28.550  1550.11   92.834  1483.89  111.382  1700.75  168.007  866.982   32.921  922.778   46.655 -55.79584 57.10067 
1 1 1  -17    6    5 o  803.464   27.791  1300.21   83.140  1350.06  104.337  1213.49  137.606  827.057   32.327  779.872   45.215 47.18542 55.58293 
1 1 1  -17    6    6 o  377.974   21.550  281.161   29.973  283.197   51.933  280.144   36.703  378.349   35.174  377.598   24.908 0.7512512 43.09973 
1 1 1  -17    6    7 o  464.795   21.650  425.456   37.303  424.116   46.039  428.015   63.646  464.503   25.399  465.086   35.068 -0.5830383 43.29929 
1 1 1  -17    6    8 f  746.736   30.344  1099.78   88.423  1099.78   88.423   0.0000   0.0000  746.736   30.344  ?   ?       ?      ? 
1 1 1  -17    6    9 o  204.024   17.701   82.618   13.951   92.891   19.335   71.461   20.150  217.512   22.778  190.535   27.099 26.97748 35.40106 
1 1 1  -17    6   10 o  391.997   18.076  301.298   27.585  289.465   37.478  315.286   40.747  383.689   25.031  400.304   26.084 -16.61557 36.15112 
1 1 1  -17    6   11 o  579.537   19.598  658.684   44.205  621.548   59.907  703.071   65.495  561.763   27.327  597.310   28.098 -35.54700 39.19536 
1 1 1  -17    6   12 o  530.607   19.040  553.631   39.385  535.993   54.217  573.338   57.308  521.727   26.629  539.487   27.221 -17.75934 38.08023 
1 1 1  -17    6   13 o  178.728   20.948   64.805   14.080   74.768   19.594   54.168   20.246  194.878   25.764  162.578   33.038 32.30080 41.89616 
1 1 1  -17    6   14 o  505.105   28.023  510.685   54.881  525.029   74.199  493.359   81.546  513.675   37.015  496.535   42.084 17.14056 56.04651 
1 1 1  -17    6   15 o  379.061   18.080  283.379   26.733  289.527   37.533  277.049   38.084  383.307   25.092  374.815   26.037 8.492310 36.16011 
1 1 1  -17    6   16 o  162.033   21.998   53.260   13.583   61.728   19.299   44.949   19.120  176.639   27.997  147.426   33.937 29.21347 43.99535 
1 1 1  -17    6   17 o  283.135   18.488  159.212   20.341  172.411   28.412  145.332   29.134  295.438   24.643  270.832   27.566 24.60632 36.97536 
1 1 1  -17    6   18 o  263.966   19.291  138.602   19.828  144.633   27.570  132.141   28.536  270.108   26.156  257.824   28.363 12.28387 38.58200 
1 1 1  -17    6   19 o  662.461   41.384  895.888  106.985   0.0000   0.0000  895.888  106.985  ?   ?   662.461   41.384      ?      ? 
1 1 1  -17    6   20 o  747.347   22.561  1124.54   65.787  1142.25   92.745  1106.61   93.331  753.531   31.540  741.162   32.269 12.36951 45.12236 
1 1 1  -17    6   21 o  429.748   20.359  371.903   33.999  384.124   46.512  357.881   49.821  438.002   27.212  421.493   30.289 16.50848 40.71762 
1 1 1  -17    6   22 o  226.447   22.500  103.978   19.763   89.799   27.494  119.134   28.427  209.995   33.551  242.898   29.990 -32.90298 45.00026 
1 1 1  -17    6   23 o  464.215   20.433  429.585   36.764  390.143   48.659  482.048   56.120  439.981   28.340  488.449   29.442 -48.46835 40.86534 
1 1 1  -17    6   24 o  333.786   21.674  225.919   28.185  220.199   38.584  232.465   41.272  329.538   30.003  338.035   31.287 -8.496490 43.34830 
1 1 1  -17    6   25 o  113.940   29.280   25.088   16.851  -9.3403   38.045   33.490   18.795  102.440   45.941  125.440   36.314 -23.00045 58.55943 
1 1 1  -17    6   26 o  235.275   46.919   80.858   30.837   61.380   32.493  257.503   97.850  164.577   47.776  305.974   80.765 -141.3971 93.83784 
1 1 1  -17    6   27 o  159.005   29.730   58.986   18.855   44.123   31.066   67.654   23.725  141.378   47.588  176.633   35.648 -35.25482 59.45963 
1 1 1  -17    6   28 o  183.303   30.439   75.400   21.098   81.007   33.276   71.630   27.284  187.457   45.864  179.149   40.034 8.307449 60.87892 
1 1 1  -17    6   29 o  172.232   30.108   61.600   20.120   98.707   33.537   40.733   25.149  209.313   42.508  135.151   42.651 74.16203 60.21657 
1 1 1  -17    6   30 o  368.760   32.369  307.641   44.585  297.931   73.040  313.408   56.289  356.295   52.531  381.225   37.836 -24.92996 64.73884 
1 1 1  -17    6   31 o  174.745   46.700   77.325   37.323   79.520   39.770   61.112  108.068  179.086   53.101  170.405   76.836 8.680954 93.39986 
1 1 1  -17    7    1 o  441.726   24.968  370.531   42.171  301.116   53.789  481.264   67.937  390.175   35.326  493.276   35.293 -103.1012 49.93523 
1 1 1  -17    7    2 o  410.537   21.814  323.709   32.433  310.043   38.796  355.428   59.106  397.250   25.026  423.823   35.737 -26.57303 43.62803 
1 1 1  -17    7    3 o  763.540   25.961  1152.44   73.919  1147.25   91.841  1162.00  124.554  762.760   30.854  764.321   41.759 -1.561523 51.92122 
1 1 1  -17    7    4 o  701.043   25.268  993.819   67.295  1092.68   88.641  859.323  103.391  744.439   30.512  657.647   40.286 86.79199 50.53690 
1 1 1  -17    7    6 o  491.426   51.076  463.305   47.389  456.713   49.002  558.521  186.227  481.907   26.057  500.945   98.772 -19.03741 102.1516 
1 1 1  -17    7    7 o  701.432   25.360  943.164   64.478  893.265   77.033  1059.93  117.840  673.192   29.323  729.672   41.384 -56.48041 50.71931 
1 1 1  -17    7    8 o  573.171   27.200  646.750   60.839  646.750   60.839   0.0000   0.0000  573.171   27.200  ?   ?       ?      ? 
1 1 1  -17    7    9 o  255.242   16.694  128.767   16.522  138.023   22.694  118.329   24.099  265.180   21.930  245.303   25.175 19.87695 33.38740 
1 1 1  -17    7   10 o  442.281   18.677  385.012   32.149  384.761   43.878  385.303   47.238  442.267   25.423  442.294   27.368 -0.2780151E-01 37.35474 
1 1 1  -17    7   11 o  521.584   19.065  534.919   38.758  518.756   53.244  553.136   56.527  513.286   26.581  529.883   27.337 -16.59747 38.12975 
1 1 1  -17    7   12 f  730.214   21.636  1051.08   61.564  1011.15   84.313  1096.69   90.103  715.509   30.196  744.919   30.996 -29.41003 43.27262 
1 1 1  -17    7   13 o  249.259   28.047  110.787   21.578  101.148   23.892  153.435   50.255  226.509   27.029  272.008   49.153 -45.49887 56.09476 
1 1 1  -17    7   14 o  807.542   28.185  1279.60   83.215  1372.41  148.004  1236.70  100.627  825.397   45.949  789.688   32.653 35.70892 56.36993 
1 1 1  -17    7   15 o  456.012   19.026  411.329   33.801  435.230   47.571  386.957   48.037  469.603   25.959  442.422   27.823 27.18082 38.05218 
1 1 1  -17    7   16 o  356.092   19.229  250.338   26.658  242.569   36.259  259.477   39.327  350.215   26.531  361.969   27.841 -11.75418 38.45797 
1 1 1  -17    7   17 o  129.088   23.923   34.424   12.176   36.586   17.873   32.552   16.633  132.750   34.267  125.426   33.391 7.324760 47.84550 
1 1 1  -17    7   18 o  416.474   26.242  347.745   42.267  368.692   64.951  332.359   55.667  426.532   39.021  406.416   35.099 20.11636 52.48410 
1 1 1  -17    7   19 f  222.225   21.196   99.791   18.150  116.292   25.488   82.815   25.851  241.567   27.037  202.884   32.652 38.68275 42.39274 
1 1 1  -17    7   20 o  183.156   24.165   69.401   16.848   61.407   23.975   77.198   23.679  170.515   37.086  195.797   30.991 -25.28174 48.33045 
1 1 1  -17    7   21 o  392.389   20.469  309.139   31.175  303.760   41.824  315.864   46.764  389.117   27.543  395.661   30.287 -6.544220 40.93789 
1 1 1  -17    7   22 o  212.100   24.244   93.756   19.332  110.614   27.378   76.991   27.303  233.929   29.990  190.271   38.100 43.65823 48.48714 
1 1 1  -17    7   23 o  325.770   21.626  214.264   27.358  206.302   36.645  224.288   41.119  319.431   29.397  332.109   31.727 -12.67874 43.25283 
1 1 1  -17    7   24 o  431.823   21.354  374.910   35.780  341.676   47.618  418.006   54.225  410.333   29.737  453.314   30.653 -42.98044 42.70720 
1 1 1  -17    7   25 o  201.481   49.772   83.893   38.786   73.702   42.420  135.844   95.778  178.689   55.235  224.273   82.813 -45.58380 99.54337 
1 1 1  -17    7   26 o  236.374   25.259  116.382   23.214  128.005   34.659  106.926   31.262  246.882   35.974  225.865   35.467 21.01697 50.51821 
1 1 1  -17    7   27 o  311.780   24.306  204.391   29.571  204.327   42.059  204.454   41.584  311.590   34.589  311.970   34.157 -0.3796082 48.61196 
1 1 1  -17    7   28 o  238.377   25.629  120.446   23.514  124.026   36.515  117.910   30.735  239.813   39.018  236.941   33.240 2.872147 51.25754 
1 1 1  -17    7   29 o  246.403   30.368  137.993   27.721   98.574   39.412  176.588   38.998  203.990   49.917  288.816   34.601 -84.82570 60.73681 
1 1 1  -17    7   30 o  114.290   34.261   2.0760   16.988   57.525   52.781  -4.3316   17.942  157.168   60.686   71.412   31.821 85.75614 68.52289 
1 1 1  -17    8    1 o  532.646   22.646  542.115   43.575  514.574   51.926  607.681   80.120  511.562   26.011  553.730   37.077 -42.16779 45.29128 
1 1 1  -17    8    2 o  414.424   24.352  337.106   34.528  334.336   40.076  345.082   68.014  412.477   24.897  416.372   41.859 -3.894989 48.70354 
1 1 1  -17    8    3 o  221.115   25.175   90.562   17.624   84.705   19.778  113.145   38.834  207.639   24.408  234.590   44.037 -26.95026 50.34924 
1 1 1  -17    8    4 o  478.890   27.524  452.364   51.223  423.377   68.707  488.637   76.857  461.906   38.117  495.874   39.718 -33.96878 55.04865 
1 1 1  -17    8    6 o  265.187   34.658   96.699   19.523   88.839   20.169  213.565   77.774  212.625   24.308  317.750   64.915 -105.1248 69.31680 
1 1 1  -17    8    7 o  466.273   23.168  427.840   38.236  425.177   45.325  434.412   71.203  465.034   24.976  467.513   39.028 -2.479645 46.33536 
1 1 1  -17    8    8 o  414.343   25.094  337.607   40.575  337.607   40.575   0.0000   0.0000  414.343   25.094  ?   ?       ?      ? 
1 1 1  -17    8    9 o  527.025   24.376  552.279   46.179  555.813   55.548  544.373   83.088  531.312   26.791  522.739   40.731 8.573120 48.75189 
1 1 1  -17    8   10 o  458.263   25.109  430.356   40.443  450.862   48.437  383.150   73.490  478.614   25.933  437.912   43.004 40.70190 50.21827 
1 1 1  -17    8   11 o  244.360   27.655  110.218   19.695  104.619   21.562  138.414   48.386  230.667   23.954  258.053   49.853 -27.38577 55.30949 
1 1 1  -17    8   12 o  429.501   26.393  354.682   36.989  344.846   41.809  390.120   79.359  418.460   25.602  440.542   46.161 -22.08234 52.78596 
1 1 1  -17    8   13 o   97.389   22.692   18.107   10.258   10.485   16.299   23.106   13.200   88.065   33.797  106.712   30.290 -18.64701 45.38421 
1 1 1  -17    8   14 o  199.526   20.202   80.745   15.049   97.621   21.217   63.659   21.348  222.569   24.428  176.483   32.184 46.08600 40.40459 
1 1 1  -17    8   15 o  545.506   20.260  583.702   42.815  543.659   56.566  637.417   65.515  524.102   27.657  566.910   29.614 -42.80817 40.52050 
1 1 1  -17    8   16 o  400.861   19.938  317.183   30.923  306.723   40.856  331.211   47.315  393.530   26.604  408.191   29.703 -14.66150 39.87529 
1 1 1  -17    8   17 f  569.250   20.395  644.150   45.201  632.380   61.624  657.857   66.501  563.953   28.001  574.547   29.660 -10.59332 40.78940 
1 1 1  -17    8   18 o  362.518   26.775  266.393   37.134  267.989   58.571  265.320   48.018  362.044   41.456  362.993   33.898 -0.9491882 53.55064 
1 1 1  -17    8   19 o  356.963   19.688  255.787   27.297  269.838   37.565  240.066   39.735  367.895   26.165  346.031   29.425 21.86353 39.37599 
1 1 1  -17    8   20 o  282.871   20.985  160.231   23.105  146.899   31.473  175.815   34.027  270.120   29.857  295.622   29.496 -25.50171 41.96941 
1 1 1  -17    8   21 o  425.083   20.550  362.903   33.935  351.583   45.584  376.973   50.824  418.189   27.933  431.977   30.149 -13.78867 41.09983 
1 1 1  -17    8   22 o  278.357   21.574  157.221   23.363  161.202   32.092  152.732   34.079  282.573   29.103  274.142   31.855 8.431549 43.14774 
1 1 1  -17    8   23 o  395.632   21.122  317.818   32.477  324.697   44.305  309.828   47.747  401.018   28.311  390.246   31.353 10.77219 42.24326 
1 1 1  -17    8   24 o  420.593   25.500  368.142   40.650  359.044   65.104  373.954   52.040  413.201   40.375  427.984   31.159 -14.78281 51.00000 
1 1 1  -17    8   25 o  437.865   38.924  417.273   49.091  408.549   53.819  460.490  119.785  446.098   30.915  429.633   71.445 16.46567 77.84715 
1 1 1  -17    8   26 o  183.049   28.734   72.001   19.520   85.673   32.036   63.927   24.618  195.436   43.158  170.662   37.947 24.77330 57.46835 
1 1 1  -17    8   27 o  304.306   24.145  194.721   28.645  199.714   41.625  190.229   39.479  307.664   34.670  300.947   33.616 6.716614 48.29073 
1 1 1  -17    8   28 o  192.075   29.983   81.295   21.516   95.406   34.406   72.232   27.574  204.562   44.376  179.588   40.331 24.97389 59.96521 
1 1 1  -17    8   29 o  242.265   38.980  151.296   33.482  120.667   65.397  162.178   38.979  209.050   69.014  275.480   36.258 -66.42937 77.95908 
1 1 1  -17    8   30 o  309.276   25.256  191.944   29.352  284.742   48.419  138.031   36.906  365.998   33.901  252.554   37.446 113.4445 50.51224 
1 1 1  -17    9    1 f  329.514   22.938  190.163   26.111  166.028   29.822  269.446   54.051  290.508   26.305  368.521   37.584 -78.01312 45.87547 
1 1 1  -17    9    2 o  487.255   29.009  465.812   54.520  430.871   70.924  516.284   85.240  465.696   39.026  508.814   42.929 -43.11804 58.01703 
1 1 1  -17    9    3 o  985.478   51.758  1956.05  199.048  1956.05  199.048   0.0000   0.0000  985.478   51.758  ?   ?       ?      ? 
1 1 1  -17    9    4 o  701.101   30.009  969.588   82.104  969.588   82.104   0.0000   0.0000  701.101   30.009  ?   ?       ?      ? 
1 1 1  -17    9    6 o  480.168   24.648  438.341   41.227  417.428   47.921  497.900   80.873  460.499   26.667  499.837   41.461 -39.33798 49.29634 
1 1 1  -17    9    7 f  550.126   25.570  609.633   49.982  623.940   59.887  576.791   90.735  562.854   27.265  537.398   43.266 25.45624 51.14019 
1 1 1  -17    9    8 o  351.426   26.155  229.003   28.460  219.293   31.458  272.790   66.803  334.000   24.135  368.851   46.410 -34.85040 52.31087 
1 1 1  -17    9    9 o  618.616   26.042  715.732   55.940  667.543   64.660  859.122  111.537  581.817   28.478  655.415   43.609 -73.59747 52.08387 
1 1 1  -17    9   10 o  682.508   26.461  923.302   65.513  918.246   79.171  934.284  116.677  681.906   29.751  683.111   43.768 -1.204773 52.92286 
1 1 1  -17    9   11 o  467.206   26.352  415.689   40.636  400.142   46.056  470.329   86.344  450.643   26.189  483.769   45.737 -33.12527 52.70398 
1 1 1  -17    9   12 o  306.078   33.545  180.329   33.509  169.957   38.191  215.024   69.849  292.637   33.442  319.518   58.162 -26.88168 67.09074 
1 1 1  -17    9   13 o  467.059   26.166  423.608   41.628  411.600   48.000  460.044   83.612  456.526   26.943  477.592   44.862 -21.06598 52.33102 
1 1 1  -17    9   14 o  325.216   32.338  208.296   30.542  203.413   33.635  231.242   72.916  320.725   26.874  329.706   58.829 -8.981232 64.67677 
1 1 1  -17    9   15 o  373.546   31.848  289.319   35.772  292.811   39.760  274.490   81.946  384.564   26.494  362.528   57.924 22.03577 63.69537 
1 1 1  -17    9   16 o  500.704   53.170  521.996  103.891   0.0000   0.0000  521.996  103.891  ?   ?   500.704   53.170      ?      ? 
1 1 1  -17    9   17 o  269.861   31.981  162.865   30.298  117.644   49.490  189.974   38.318  231.895   55.440  307.828   31.898 -75.93329 63.96146 
1 1 1  -17    9   18 o  302.900   20.439  180.086   23.925  154.295   31.455  215.489   36.853  277.630   29.033  328.171   28.777 -50.54025 40.87785 
1 1 1  -17    9   19 o  138.128   25.597   40.691   14.417   27.043   20.889   53.104   19.922  116.997   39.024  159.258   33.134 -42.26195 51.19305 
1 1 1  -17    9   20 o  493.708   30.377  492.251   58.526   0.0000   0.0000  492.251   58.526  ?   ?   493.708   30.377      ?      ? 
1 1 1  -17    9   21 o  492.352   31.802  492.289   61.103   0.0000   0.0000  492.289   61.103  ?   ?   492.352   31.802      ?      ? 
1 1 1  -17    9   22 o  271.581   22.046  150.003   23.327  153.979   32.377  145.712   33.637  275.694   30.094  267.468   32.226 8.225189 44.09286 
1 1 1  -17    9   23 o   95.593   25.247   15.448   12.180   9.7187   22.399   17.854   14.514   95.143   38.623   96.043   32.527 -0.9006042 50.49500 
1 1 1  -17    9   24 o  428.962   82.391  486.963  132.908   0.0000   0.0000  486.963  132.908  ?   ?   428.962   82.391      ?      ? 
1 1 1  -17    9   25 o  252.052   24.637  133.372   24.054  127.241   35.663  138.488   32.580  245.526   37.222  258.578   32.287 -13.05176 49.27343 
1 1 1  -17    9   26 o  333.295   23.079  231.794   30.003  234.525   43.184  229.245   41.716  334.922   33.041  331.668   32.230 3.254547 46.15720 
1 1 1  -17    9   27 o  317.318   23.781  210.243   29.289  242.774   43.304  182.814   39.763  340.479   32.592  294.158   34.639 46.32053 47.56150 
1 1 1  -17    9   28 o  291.718   25.631  181.139   29.034  158.869   40.229  205.348   41.945  271.865   37.919  311.571   34.497 -39.70682 51.26297 
1 1 1  -17    9   29 f  237.958   38.612  156.943   31.718   99.116   69.240  172.299   35.682  189.438   70.319  286.477   31.917 -97.03960 77.22365 
1 1 1  -17   10    1 o  380.551   29.534  285.659   43.596  261.783   57.910  316.894   66.234  362.547   40.931  398.554   42.586 -36.00702 59.06708 
1 1 1  -17   10    2 o  666.115   29.393  875.054   76.405  875.054   76.405   0.0000   0.0000  666.115   29.393  ?   ?       ?      ? 
1 1 1  -17   10    3 f  187.532   34.082   68.792   16.895   68.815   17.732   68.563   55.654  187.111   24.284  187.954   63.693 -0.8426819 68.16477 
1 1 1  -17   10    4 o  738.478   30.846  1076.81   88.893  1076.81   88.893   0.0000   0.0000  738.478   30.846  ?   ?       ?      ? 
1 1 1  -17   10    5 o  363.470   30.707  267.758   42.849  295.016   57.778  234.445   63.875  385.247   38.432  341.693   47.903 43.55405 61.41444 
1 1 1  -17   10    6 o  256.326   29.661  129.339   21.498  127.329   23.514  139.577   53.062  254.538   23.673  258.115   54.395 -3.576782 59.32298 
1 1 1  -17   10    7 o  662.010   26.724  875.952   63.495  883.754   76.353  858.458  114.327  669.260   29.235  654.760   44.744 14.50049 53.44800 
1 1 1  -17   10    8 f  652.825   26.222  810.964   60.095  767.658   70.122  930.735  116.617  623.760   28.807  681.888   43.824 -58.12793 52.44462 
1 1 1  -17   10    9 f  726.306   30.428  1042.64   86.243  1042.64   86.243   0.0000   0.0000  726.306   30.428  ?   ?       ?      ? 
1 1 1  -17   10   10 o  429.208   30.157  349.736   38.247  339.862   41.847  399.821   94.253  415.320   25.820  443.095   54.509 -27.77557 60.31450 
1 1 1  -17   10   11 o  417.225   30.561  307.726   43.702  268.063   49.700  442.947   91.767  367.199   34.684  467.251   50.327 -100.0528 61.12125 
1 1 1  -17   10   12 o  224.463   38.038  117.157   25.762  123.848   27.793   76.330   68.653  250.212   28.464  198.714   70.549 51.49796 76.07501 
1 1 1  -17   10   13 o  256.792   36.535  107.403   21.590  100.815   22.524  181.896   75.740  225.917   25.548  287.668   68.459 -61.75159 73.07066 
1 1 1  -17   10   14 f  353.950   30.186  191.272   29.061  170.855   30.815  355.425   87.377  293.681   26.888  414.218   54.055 -120.5375 60.37299 
1 1 1  -17   10   15 o  173.523   39.966   41.718   16.670   38.912   17.119   93.107   73.256  136.854   32.532  210.192   73.012 -73.33781 79.93210 
1 1 1  -17   10   16 o  420.905   62.207  317.901   63.261  290.561   66.346  591.537  209.898  375.748   45.247  466.062  115.896 -90.31387 124.4148 
1 1 1  -17   10   17 o  191.805   40.279   68.317   20.679   67.257   21.437   82.520   78.468  183.181   29.988  200.430   74.768 -17.24878 80.55738 
1 1 1  -17   10   18 o  496.655   57.898  536.078  112.215   0.0000   0.0000  536.078  112.215  ?   ?   496.655   57.898      ?      ? 
1 1 1  -17   10   19 o  109.358   35.250   8.9373   15.590   11.781   15.852 -74.9633   86.110   88.169   33.451  130.547   62.058 -42.37753 70.49919 
1 1 1  -17   10   20 o  172.797   46.491   29.286   18.807   25.443   19.142  136.131  100.933  112.897   37.342  232.696   85.155 -119.7985 92.98276 
1 1 1  -17   10   21 o  163.067   41.977   51.032   22.202   53.006   22.779   13.539   99.252  157.318   37.614  168.815   75.056 -11.49643 83.95376 
1 1 1  -17   10   22 o  324.648   22.520  216.448   28.279  232.053   38.559  198.284   41.600  338.522   29.188  310.774   34.302 27.74829 45.03967 
1 1 1  -17   10   23 o  328.436   48.000  216.617   43.873  197.664   47.181  337.733  119.271  306.834   39.404  350.037   87.541 -43.20319 96.00063 
1 1 1  -17   10   24 o  259.587   46.801  189.693   36.769  197.007   38.595  117.829  120.976  309.002   32.007  210.171   87.960 98.83089 93.60208 
1 1 1  -17   10   25 o  212.706   27.410   97.456   21.678  108.254   33.763   89.882   28.276  221.812   40.497  203.601   36.949 18.21083 54.82064 
1 1 1  -17   10   26 o  222.648   27.494  108.426   22.876  104.540   35.465  111.194   29.937  215.108   43.738  230.189   33.327 -15.08130 54.98852 
1 1 1  -17   10   27 o  287.572   25.231  177.325   27.752  140.175   39.281  214.345   39.213  254.504   39.551  320.639   31.339 -66.13487 50.46198 
1 1 1  -17   10   28 o  163.268   38.027   62.262   23.660   52.208   64.944   63.800   25.406  157.792   65.105  168.743   39.312 -10.95149 76.05322 
1 1 1  -17   10   29 o  217.524   30.302  109.601   24.102   96.426   39.691  117.298   30.336  199.625   50.818  235.423   33.020 -35.79858 60.60373 
1 1 1  -17   11    1 o  505.517   49.693  405.378   66.739  366.591   70.604  730.828  204.514  428.572   42.215  582.463   89.975 -153.8907 99.38668 
1 1 1  -17   11    2 o  479.099   39.015  456.664   72.945  456.664   72.945   0.0000   0.0000  479.099   39.015  ?   ?       ?      ? 
1 1 1  -17   11    3 f  1238.47   40.948  2987.34  190.937  2640.75  235.669  3649.51  325.741  1142.81   52.844  1334.12   62.567 -191.3097 81.89694 
1 1 1  -17   11    4 o  538.961   25.752  507.528   46.789  448.711   52.827  721.608  100.784  477.033   28.378  600.889   42.980 -123.8563 51.50312 
1 1 1  -17   11    5 o  197.684   36.944   69.148   32.843   14.630   42.943  145.977   50.979  130.539   53.292  264.830   51.179 -134.2917 73.88758 
1 1 1  -17   11    6 o  431.290   29.269  362.380   46.817  343.532   57.213  400.579   81.449  416.088   35.235  446.492   46.745 -30.40381 58.53771 
1 1 1  -17   11    7 o  503.028   26.938  515.773   46.100  529.361   53.860  478.546   89.149  518.287   26.630  487.770   46.835 30.51767 53.87604 
1 1 1  -17   11    8 o  758.246   28.376  1148.80   77.947  1149.93   94.272  1146.36  138.583  762.113   31.698  754.379   47.075 7.733459 56.75211 
1 1 1  -17   11    9 o  307.160   25.824  185.980   30.955  185.980   30.955   0.0000   0.0000  307.160   25.824  ?   ?       ?      ? 
1 1 1  -17   11   10 o  863.378   51.105  1516.89  172.186   0.0000   0.0000  1516.89  172.186  ?   ?   863.378   51.105      ?      ? 
1 1 1  -17   11   11 o  182.770   35.392   78.913   20.975   85.444   22.131   21.257   65.753  207.885   27.280  157.656   65.317 50.22893 70.78455 
1 1 1  -17   11   12 o  149.929   34.020   49.743   17.978   55.324   18.643 -24.2825   67.898  164.466   30.159  135.393   60.990 29.07356 68.03937 
1 1 1  -17   11   13 o  258.787   35.565   95.413   22.529   84.176   23.582  212.908   76.252  205.790   29.365  311.784   64.787 -105.9936 71.13082 
1 1 1  -17   11   14 o  357.594   37.333  277.851   36.165  282.235   39.594  255.779   88.845  377.044   26.909  338.143   69.648 38.90088 74.66534 
1 1 1  -17   11   15 o  245.468   58.738  112.234   48.706  102.288   51.816  187.702  142.734  215.170   59.641  275.766  101.212 -60.59601 117.4769 
1 1 1  -17   11   16 o  205.206   47.537   83.930   23.005   85.474   23.302   24.499  144.576  206.696   28.888  203.715   90.579 2.980804 95.07452 
1 1 1  -17   11   17 o  320.050   43.146  190.108   32.342  180.558   33.949  283.930  106.405  299.962   29.002  340.138   81.273 -40.17578 86.29297 
1 1 1  -17   11   18 o  220.547   47.252   45.835   21.516   37.484   21.964  244.231  107.050  133.411   39.439  307.683   85.882 -174.2722 94.50439 
1 1 1  -17   11   19 o  127.030   41.153   11.135   16.443   11.631   16.650  -8.4464  104.619   89.071   34.165  164.988   74.880 -75.91772 82.30635 
1 1 1  -17   11   20 o  200.619   46.481   78.905   24.973   78.309   25.603   90.578  113.286  192.826   35.326  208.412   85.989 -15.58617 92.96207 
1 1 1  -17   11   21 o  428.538   83.432  471.873  134.507   0.0000   0.0000  471.873  134.507  ?   ?   428.538   83.432      ?      ? 
1 1 1  -17   11   22 f  255.308   51.333  124.715   34.499  115.271   35.992  231.511  121.033  231.072   41.436  279.545   93.932 -48.47299 102.6650 
1 1 1  -17   11   23 o  393.373   53.075  264.889   66.451  174.640   72.710  722.453  163.719  261.684   69.883  525.062   79.902 -263.3786 106.1502 
1 1 1  -17   11   24 o  132.400   43.019   0.3348   22.635  -3.5645   23.259   70.090   98.374   82.810   36.598  181.990   77.866 -99.18034 86.03831 
1 1 1  -17   11   25 o  182.708   44.114   69.797   28.258   64.791   30.085  107.299   82.340  168.129   44.976  197.287   75.904 -29.15836 88.22825 
1 1 1  -17   11   26 o  154.176   41.655   49.382   27.157   50.302   28.767   41.835   82.350  148.384   45.423  159.967   69.837 -11.58322 83.30916 
1 1 1  -17   11   27 o  285.611   35.255  173.241   39.294  173.241   39.294   0.0000   0.0000  285.611   35.255  ?   ?       ?      ? 
1 1 1  -17   11   28 o  112.907   37.959 -42.8503   45.615 -39.8807   63.876 -45.9406   65.161  113.335   53.751  112.478   53.613 0.8569565 75.91814 
1 1 1  -17   12    1 o  618.406   61.751  782.761   93.286  767.547   99.405  895.039  270.045  620.054   41.082  616.758  116.468 3.296021 123.5012 
1 1 1  -17   12    2 o  477.695   40.755  455.465   75.973  455.465   75.973   0.0000   0.0000  477.695   40.755  ?   ?       ?      ? 
1 1 1  -17   12    3 o  804.773   69.059  1170.69  122.688  1117.90  127.733  1799.63  440.903  746.971   43.820  862.576  130.983 -115.6056 138.1181 
1 1 1  -17   12    4 o  342.208   40.247  297.354   50.620  493.359   67.792   50.351   76.102  498.561   34.844  185.854   72.561 312.7070 80.49306 
1 1 1  -17   12    5 o  379.002   52.954  291.699   78.319   0.0000   0.0000  291.699   78.319  ?   ?   379.002   52.954      ?      ? 
1 1 1  -17   12    6 o  669.572   49.805  907.333  130.137   0.0000   0.0000  907.333  130.137  ?   ?   669.572   49.805      ?      ? 
1 1 1  -17   12    7 o  186.409   39.436   80.562   21.808   86.299   22.338 -36.0174  100.702  209.083   27.378  163.736   73.968 45.34688 78.87251 
1 1 1  -17   12    8 o  262.173   25.083  135.507   25.663  135.507   25.663   0.0000   0.0000  262.173   25.083  ?   ?       ?      ? 
1 1 1  -17   12   10 o  356.788   38.578  294.012   36.017  307.523   39.420  225.737   88.614  394.543   25.603  319.033   72.785 75.51089 77.15682 
1 1 1  -17   12   11 o  218.262   39.268  106.052   23.885  109.064   25.190   79.212   75.189  234.586   27.516  201.938   73.558 32.64835 78.53641 
1 1 1  -17   12   12 o  321.141   38.922  217.928   32.102  217.873   34.527  218.279   87.209  331.482   26.691  310.800   73.124 20.68195 77.84303 
1 1 1  -17   12   13 o  140.296   33.822   43.210   19.405   51.668   20.014 -89.5694   79.297  157.691   33.554  122.901   58.736 34.78987 67.64483 
1 1 1  -17   12   14 o  229.324   58.345   86.050   48.356   71.359   51.716  188.201  136.374  183.752   61.402  274.895   99.228 -91.14290 116.6894 
1 1 1  -17   12   15 o  270.970   53.074  163.850   30.153  164.264   30.731  153.181  156.168  286.821   27.456  255.119  102.537 31.70206 106.1489 
1 1 1  -17   12   16 o  163.950   43.509   35.788   17.203   34.413   17.495   75.905   94.504  128.020   34.319  199.880   79.966 -71.86078 87.01892 
1 1 1  -17   12   17 o  369.816   42.802  281.775   38.841  274.110   41.347  339.312  113.278  369.203   28.698  370.429   80.649 -1.226257 85.60320 
1 1 1  -17   12   18 o  398.587   51.534  410.156   70.105  470.056   85.643  288.504  122.050  471.011   46.594  326.164   91.936 144.8472 103.0689 
1 1 1  -17   12   19 o  370.354   44.247  281.864   39.530  272.463   41.925  357.168  118.662  367.273   29.252  373.435   83.519 -6.161682 88.49325 
1 1 1  -17   12   20 o  252.086   46.686  156.377   32.063  159.037   33.433  125.908  113.154  279.869   30.612  224.303   88.212 55.56586 93.37241 
1 1 1  -17   12   21 o  249.127   49.633   93.457   27.071   84.295   27.814  258.186  117.939  198.809   37.218  299.445   92.024 -100.6357 99.26556 
1 1 1  -17   12   22 o  293.824   55.867  162.146   37.952  149.929   39.191  346.217  152.123  267.486   37.545  320.162  105.237 -52.67569 111.7342 
1 1 1  -17   12   23 o  142.539   44.622   15.739   20.085   13.314   20.455   81.018  106.128   95.613   37.536  189.465   80.966 -93.85119 89.24350 
1 1 1  -17   12   24 o  407.364   73.118  439.060  111.964   0.0000   0.0000  439.060  111.964  ?   ?   407.364   73.118      ?      ? 
1 1 1  -17   12   25 o   98.784   34.301 -14.2678   20.281 -11.7258   20.906 -54.8688   83.550   71.644   32.877  125.924   60.212 -54.28014 68.60281 
1 1 1  -17   12   26 o  162.811   51.802   29.576   26.815   26.121   27.201  148.923  159.878  116.988   43.946  208.633   93.822 -91.64547 103.6045 
1 1 1  -17   12   27 o  132.840   43.207 -13.4751   48.764 -39.1622   60.479   34.256   82.441  110.740   52.457  154.942   68.669 -44.20216 86.41309 
1 1 1  -17   12   28 o  126.537   37.500   26.746   27.297   35.371   29.170 -34.0107   77.419  127.948   45.927  125.126   59.295 2.822723 75.00080 
1 1 1  -17   13    1 o  359.041   46.183  334.180   57.272  447.277   71.045  124.283   96.786  473.463   38.452  244.618   83.982 228.8453 92.36652 
1 1 1  -17   13    2 o  229.034   49.664   87.389   45.643   54.114   53.237  179.702   88.673  172.603   62.035  285.466   77.574 -112.8626 99.32818 
1 1 1  -17   13    3 o  193.745   47.624   68.438   42.073   56.790   51.408   92.066   73.219  173.817   61.119  213.673   73.052 -39.85612 95.24770 
1 1 1  -17   13    4 o  457.605   43.097  420.763   76.960  420.763   76.960   0.0000   0.0000  457.605   43.097  ?   ?       ?      ? 
1 1 1  -17   13    5 o  319.040   60.794  216.566   72.927  216.566   72.927   0.0000   0.0000  319.040   60.794  ?   ?       ?      ? 
1 1 1  -17   13    6 o  193.101   87.205 -34.3746  139.827 -34.3746  139.827   0.0000   0.0000  193.101   87.205  ?   ?       ?      ? 
1 1 1  -17   13    7 o  257.557   40.687  121.709   25.845  117.232   27.161  164.583   84.051  243.308   28.606  271.806   76.181 -28.49802 81.37474 
1 1 1  -17   13    8 o  276.324   41.773  155.367   32.603  152.776   35.240  170.759   85.894  276.981   32.603  275.666   76.923 1.314941 83.54682 
1 1 1  -17   13    9 o  282.463   43.854  200.993   31.828  210.665   33.729  122.375   96.163  326.212   26.495  238.715   83.611 87.49673 87.70858 
1 1 1  -17   13   10 o  225.059   41.758  118.475   26.207  123.106   27.412   69.238   89.379  248.973   28.213  201.145   78.607 47.82762 83.51636 
1 1 1  -17   13   11 o  368.339   39.537  270.616   37.720  264.035   40.511  313.491  103.403  364.277   28.498  372.401   73.761 -8.124146 79.07493 
1 1 1  -17   13   12 o  313.887   46.088  179.188   53.813  103.834   63.812  364.716  100.128  216.191   67.898  411.584   62.340 -195.3929 92.17574 
1 1 1  -17   13   13 o  211.112   52.071  101.905   51.526  120.112   57.184   23.321  118.800  231.215   62.072  191.010   83.622 40.20427 104.1420 
1 1 1  -17   13   14 f  224.206   49.180   98.455   24.437   98.430   24.837   99.206  136.705  221.683   28.711  226.730   94.077 -5.047272 98.36050 
1 1 1  -17   13   15 o  326.358   53.154  224.847   60.302  184.747   69.960  340.749  118.939  283.170   64.722  369.547   84.335 -86.37677 106.3082 
1 1 1  -17   13   16 o  298.738   48.030  225.346   36.830  230.788   38.872  177.576  115.168  338.435   29.432  259.042   91.439 79.39285 96.05915 
1 1 1  -17   13   17 o  286.089   48.067  164.250   33.447  157.706   34.982  233.936  114.160  278.612   32.175  293.566   90.591 -14.95392 96.13496 
1 1 1  -17   13   18 o  197.209   53.511   85.903   56.059   96.639   65.631   56.939  107.801  203.133   69.165  191.285   81.669 11.84802 107.0213 
1 1 1  -17   13   19 o  265.994   46.462  139.912   29.978  134.066   31.260  206.842  105.766  256.757   31.199  275.232   87.530 -18.47510 92.92400 
1 1 1  -17   13   20 o  148.315   42.791   30.899   19.179   30.756   19.535   34.704  100.859  121.137   37.490  175.493   76.933 -54.35564 85.58156 
1 1 1  -17   13   21 o  272.272   49.370  201.906   42.124  208.588   44.717  149.255  125.532  316.345   36.223  228.199   91.855 88.14554 98.73962 
1 1 1  -17   13   22 o  331.091   44.238  251.301   37.718  246.431   40.470  283.504  104.070  346.342   29.943  315.840   83.256 30.50293 88.47664 
1 1 1  -17   13   23 o  180.910   40.175   80.979   27.879   85.036   30.047   55.873   74.747  195.707   40.670  166.113   69.298 29.59377 80.35085 
1 1 1  -17   13   24 o  194.741   35.379  111.927   31.596  138.730   34.810 -13.4124   75.277  256.210   34.816  133.273   61.600 122.9368 70.75799 
1 1 1  -17   13   25 o  190.858   55.605   50.960   26.833   45.793   27.183  247.486  167.646  142.282   44.255  239.434  102.026 -97.15218 111.2108 
1 1 1  -17   13   26 o  155.723   51.951   10.874   62.322   11.236   67.154   8.6323  167.326  136.809   61.217  174.637   83.952 -37.82895 103.9013 
1 1 1  -17   13   27 o  126.222   39.808   17.113   24.134   17.664   25.042   9.9238   90.486  104.756   41.402  147.689   68.004 -42.93365 79.61577 
1 1 1  -17   14    1 o  273.156   47.275  170.628   52.186  212.004   66.354  103.534   84.497  321.657   52.862  224.655   78.393 97.00191 94.55077 
1 1 1  -17   14    2 o  204.014   48.392   85.523   46.092  102.271   61.868   64.633   69.096  218.539   66.558  189.490   70.264 29.04887 96.78322 
1 1 1  -17   14    3 o  401.769   47.675  328.210   74.747  328.210   74.747   0.0000   0.0000  401.769   47.675  ?   ?       ?      ? 
1 1 1  -17   14    4 o  137.551   58.728   5.2380   55.744   5.2380   55.744   0.0000   0.0000  137.551   58.728  ?   ?       ?      ? 
1 1 1  -17   14    5 o  205.190   48.026   88.372   48.018  122.596   60.668   30.977   78.567  237.055   64.060  173.325   71.569 63.73048 96.05121 
1 1 1  -17   14    6 o  230.423   62.796  101.183   80.787   20.653  149.333  134.502   96.056  213.726   93.655  247.119   83.677 -33.39275 125.5911 
1 1 1  -17   14    7 o  279.064   72.718  168.010   96.764  217.638  181.383  148.267  114.404  300.476  113.356  257.652   91.115 42.82391 145.4357 
1 1 1  -17   14    8 o  333.822   46.817  306.253   66.344  462.442   82.802   26.182  110.879  476.031   44.573  191.613   82.343 284.4184 93.63335 
1 1 1  -17   14    9 o  294.717   48.732  179.572   30.909  177.755   31.979  205.354  120.477  299.074   27.400  290.360   93.534 8.713867 97.46449 
1 1 1  -17   14   10 o  266.519   36.950   73.092   21.031   60.347   21.636  291.697   89.607  170.548   33.703  362.490   65.767 -191.9427 73.89990 
1 1 1  -17   14   11 o  480.693   39.831  450.409   70.667  370.829   84.745  632.053  128.033  420.109   51.692  541.276   60.614 -121.1668 79.66190 
1 1 1  -17   14   12 o  131.706   42.480   14.019   12.042   14.300   12.106 -12.2109  116.999   87.420   29.706  175.992   79.597 -88.57121 84.95938 
1 1 1  -17   14   13 o  150.156   41.725   33.052   17.110   33.525   17.376   17.953   98.144  126.451   34.330  173.861   76.062 -47.40926 83.45072 
1 1 1  -17   14   14 o  438.804   45.916  403.024   73.929  348.338   88.435  529.930  134.718  399.825   56.679  477.784   72.254 -77.95932 91.83196 
1 1 1  -17   14   15 o  198.327   43.458   87.343   23.776   89.879   24.299   30.312  115.225  211.109   29.495  185.545   81.759 25.56422 86.91627 
1 1 1  -17   14   16 o  129.285   42.190   9.4794   13.361   9.2075   13.468   26.415  106.290   80.107   30.727  178.464   78.588 -98.35683 84.38094 
1 1 1  -17   14   17 o  192.597   44.820   71.306   23.856   70.429   24.547   86.249  101.311  182.441   35.756  202.753   82.200 -20.31229 89.64032 
1 1 1  -17   14   18 o  315.256   45.875  243.807   38.819  248.608   41.838  214.094  104.081  349.815   30.648  280.698   86.480 69.11697 91.75001 
1 1 1  -17   14   19 f  185.759   40.542   84.291   26.785   90.790   27.735  -5.7371  103.228  210.100   33.828  161.418   73.691 48.68240 81.08458 
1 1 1  -17   14   20 o  205.159   37.465  130.858   36.063  158.223   37.629 -177.4649  126.310  276.085   34.926  134.233   66.293 141.8519 74.93088 
1 1 1  -17   14   21 o  127.032   39.572   18.815   18.101   19.858   18.416 -10.8120   98.151  102.292   36.516  151.772   70.217 -49.48030 79.14415 
1 1 1  -17   14   22 o  132.628   38.753   26.685   20.708   27.039   21.488   22.062   77.588  114.817   39.562  150.439   66.648 -35.62193 77.50581 
1 1 1  -17   14   23 o  366.478   41.556  373.458   46.774  442.454   55.865  211.697   85.539  461.248   31.037  271.708   77.099 189.5394 83.11166 
1 1 1  -17   14   24 o  233.665   49.052  153.385   35.588  155.881   36.310   92.498  179.341  271.749   34.240  195.581   91.935 76.16864 98.10368 
1 1 1  -17   14   25 o  162.312   53.841   23.076   66.174   24.256   71.035   15.330  182.003  145.413   64.129  179.211   86.504 -33.79761 107.6818 
1 1 1  -17   14   26 o  293.826   52.580  296.005   46.331  300.046   47.326  202.943  227.109  377.540   32.122  210.112  100.134 167.4282 105.1601 
1 1 1  -17   15    1 o  315.987   64.617  218.427   76.992  218.427   76.992   0.0000   0.0000  315.987   64.617  ?   ?       ?      ? 
1 1 1  -17   15    2 o  528.073   49.587  573.418  102.187  573.418  102.187   0.0000   0.0000  528.073   49.587  ?   ?       ?      ? 
1 1 1  -17   15    3 o  215.670   50.421   99.773   51.137  128.905   68.449   62.978   76.928  240.699   69.189  190.640   73.361 50.05873 100.8415 
1 1 1  -17   15    4 o  324.373   60.907  224.474   70.289  197.068   80.923  308.675  141.844  295.940   70.984  352.806   98.994 -56.86612 121.8130 
1 1 1  -17   15    5 o  526.127   95.732  806.165  199.916  696.003  286.496  910.709  279.096  476.104  142.831  576.149  127.506 -100.0450 191.4645 
1 1 1  -17   15    6 o  209.978   52.514   93.644   53.383  106.366   65.461   68.384   92.238  219.377   68.748  200.579   79.400 18.79842 105.0271 
1 1 1  -17   15    7 o  344.401   79.772  311.598  119.320  376.192  202.600  277.295  147.640  362.149  121.530  326.653  103.366 35.49615 159.5434 
1 1 1  -17   15    8 o  177.347   50.130   49.569   50.926   56.765   62.116   34.815   88.944  175.762   66.329  178.932   75.184 -3.169724 100.2602 
1 1 1  -17   15    9 o  415.909   63.433  436.208   85.024  446.938   95.865  396.653  184.059  459.659   53.443  372.159  115.059 87.50034 126.8653 
1 1 1  -17   15   10 o  261.096   50.466  135.725   28.627  133.663   29.347  176.204  130.037  258.305   29.114  263.886   96.643 -5.581482 100.9328 
1 1 1  -17   15   11 o  348.969   56.783  315.181   42.526  318.948   43.945  259.625  168.763  398.985   28.224  298.952  110.004 100.0331 113.5667 
1 1 1  -17   15   12 o  249.654   47.013  172.372   32.606  180.173   33.471   27.219  144.387  299.500   28.638  199.807   89.559 99.69286 94.02654 
1 1 1  -17   15   13 o  340.536   45.334  199.771   34.844  185.449   36.335  363.570  122.881  302.912   30.738  378.160   85.299 -75.24863 90.66843 
1 1 1  -17   15   14 o  175.433   44.246   55.772   20.341   56.353   20.674   38.181  113.803  163.650   33.501  187.215   81.905 -23.56485 88.49156 
1 1 1  -17   15   15 o  142.323   40.298   31.590   16.541   32.943   16.757 -20.0462  103.506  124.916   33.629  159.730   73.246 -34.81406 80.59664 
1 1 1  -17   15   16 o  323.333   42.370  241.874   38.714  244.549   42.557  229.036   93.235  346.827   31.443  299.840   78.690 46.98761 84.73919 
1 1 1  -17   15   17 o  283.698   37.842  160.899   31.044  151.286   33.877  211.277   77.553  272.321   31.878  295.075   68.643 -22.75391 75.68430 
1 1 1  -17   15   18 o  199.830   41.577   78.054   23.117   74.883   24.162  112.357   79.470  188.197   34.157  211.462   75.815 -23.26514 83.15468 
1 1 1  -17   15   19 f  118.320   37.444   13.153   16.464   14.306   16.770 -17.5744   86.565   92.433   34.548  144.206   66.442 -51.77237 74.88790 
1 1 1  -17   15   20 o   90.524   33.389 -13.2879   11.124 -12.8181   11.222 -39.9730   84.576   47.610   22.565  133.438   62.851 -85.82808 66.77883 
1 1 1  -17   15   21 o  249.618   41.290  186.759   36.686  208.633   40.293   80.726   88.712  316.214   32.653  183.022   75.850 133.1916 82.58002 
1 1 1  -17   15   22 o  149.149   41.308   36.641   21.321   34.443   22.084   66.794   81.804  125.718   39.999  172.579   72.287 -46.86092 82.61546 
1 1 1  -17   15   23 o  263.315   46.756  237.289   42.462  249.348   43.580   11.183  188.705  345.097   32.360  181.532   87.735 163.5650 93.51236 
1 1 1  -17   15   24 o  200.992   59.431  121.938   73.510  129.345   79.826   80.610  188.564  209.836   75.890  192.148   91.482 17.68753 118.8622 
1 1 1  -17   15   25 o  188.646   45.052   86.394   27.901   87.136   28.627   72.329  124.637  198.040   38.428  179.252   81.499 18.78764 90.10467 
1 1 1  -17   16    1 o  247.335   75.645  140.877   79.802  140.877   79.802   0.0000   0.0000  247.335   75.645  ?   ?       ?      ? 
1 1 1  -17   16    2 o  148.642   45.784  -2.5718   50.692 -30.9654   71.115   26.758   72.278  134.056   61.186  163.229   68.123 -29.17336 91.56700 
1 1 1  -17   16    3 o  198.412   58.302   39.484   66.050  115.403  130.929   13.568   76.497  237.551   94.420  159.273   68.419 78.27795 116.6034 
1 1 1  -17   16    4 o  305.721   61.822  224.331   74.310  214.621   90.387  244.580  130.527  302.440   76.523  309.002   97.118 -6.561554 123.6433 
1 1 1  -17   16    5 o  216.459   52.471   90.397   59.777  171.182   85.422   12.874   83.679  268.978   77.286  163.940   70.993 105.0385 104.9428 
1 1 1  -17   16    6 o  171.172   50.926   30.748   57.240   24.644   75.432   39.035   87.888  163.152   68.931  179.193   74.981 -16.04115 101.8513 
1 1 1  -17   16    7 o  377.978  114.276  414.591  182.871   0.0000   0.0000  414.591  182.871  ?   ?   377.978  114.276      ?      ? 
1 1 1  -17   16    8 o  286.581   48.975  207.227   70.114  342.078   90.127   0.4978  111.590  397.166   58.150  175.996   78.821 221.1699 97.94966 
1 1 1  -17   16    9 o  165.747   48.311   21.694   56.984   81.308   71.365 -83.1802   94.655  195.077   71.571  136.418   64.911 58.65906 96.62254 
1 1 1  -17   16   10 o  303.630   63.853  234.708   73.731  227.745   83.607  259.069  156.386  310.093   70.665  297.168  106.374 12.92520 127.7069 
1 1 1  -17   16   11 o  548.806   54.952  655.207  117.688  655.207  117.688   0.0000   0.0000  548.806   54.952  ?   ?       ?      ? 
1 1 1  -17   16   12 o  213.077   51.362   74.480   23.118   72.502   23.435  146.207  141.141  186.189   33.484  239.964   97.114 -53.77472 102.7250 
1 1 1  -17   16   13 o  130.498   42.200   17.601   13.675   18.619   13.742 -87.4684  139.604   96.998   31.617  163.999   78.254 -67.00032 84.39993 
1 1 1  -17   16   14 o  315.183   65.544  291.769   81.123  302.182   88.585  237.654  201.943  359.521   65.555  270.844  113.518 88.67679 131.0872 
1 1 1  -17   16   15 o  347.257   64.976  257.790   41.264  250.696   41.993  456.836  222.445  351.323   30.629  343.191  126.291 8.131683 129.9527 
1 1 1  -17   16   16 o  241.035   40.570  162.781   32.768  179.378   35.542   68.761   84.595  296.796   30.687  185.274   75.113 111.5227 81.14004 
1 1 1  -17   16   17 o  210.881   79.585  113.487   89.427   0.0000   0.0000  113.487   89.427  ?   ?   210.881   79.585      ?      ? 
1 1 1  -17   16   18 o  175.155   39.431   72.320   23.679   75.764   24.665   31.822   84.579  188.324   34.846  161.987   70.746 26.33673 78.86163 
1 1 1  -17   16   19 o   91.601   34.237 -12.6592   10.051 -12.4004   10.115 -32.9464   89.554   44.543   21.201  138.659   65.110 -94.11604 68.47453 
1 1 1  -17   16   20 o  183.965   38.114   92.538   27.370  101.829   28.547 -13.1920   96.297  220.593   33.162  147.337   68.637 73.25645 76.22799 
1 1 1  -17   16   21 f  140.026   37.659   42.684   23.381   49.705   24.039 -80.2596  100.594  148.803   40.371  131.250   63.584 17.55276 75.31726 
1 1 1  -17   16   22 o  170.608   51.017   52.694   26.155   53.369   26.304  -6.2506  245.796  153.257   42.499  187.960   92.762 -34.70341 102.0337 
1 1 1  -17   16   23 o  204.614   63.287  119.117   78.549  106.537   84.416  200.290  214.436  193.619   76.176  215.610  101.086 -21.99106 126.5748 
1 1 1  -17   16   24 o  233.857   40.411  187.767   37.859  207.645   39.489 -38.2284  133.151  314.064   32.220  153.651   74.121 160.4128 80.82132 
1 1 1  -17   17    1 f  397.916  128.659  511.543  227.795  511.543  227.795   0.0000   0.0000  397.916  128.659  ?   ?       ?      ? 
1 1 1  -17   17    2 f  354.611   67.244  317.851   90.928  294.528  110.868  365.775  158.925  346.470   83.074  362.752  105.762 -16.28220 134.4879 
1 1 1  -17   17    3 o  250.010   61.193  154.638   73.066  168.376   95.269  135.016  113.860  261.186   83.074  238.835   89.873 22.35132 122.3869 
1 1 1  -17   17    4 o  427.243   68.039  494.467  110.326  546.018  138.068  403.410  183.498  487.756   72.537  366.730  115.132 121.0252 136.0773 
1 1 1  -17   17    5 o  275.879   59.913  159.563   79.541  342.546  127.047   41.601  102.007  365.687   89.706  186.072   79.443 179.6155 119.8263 
1 1 1  -17   17    6 o  188.168   54.661   40.020   67.075 -19.5567   89.489  116.403  101.328  152.145   69.129  224.191   84.689 -72.04701 109.3212 
1 1 1  -17   17    7 o  218.208   66.820   82.953   97.166   35.112  203.278   97.120  110.621  221.791  102.051  214.625   86.285 7.166351 133.6399 
1 1 1  -17   17    8 o  445.204   70.804  513.237  103.002  490.774  115.828  598.149  225.193  467.177   63.533  423.232  126.555 43.94501 141.6075 
1 1 1  -17   17    9 o  163.124   51.599   3.2176   66.167   4.5482   84.917   1.1612  105.567  156.961   69.622  169.287   76.173 -12.32599 103.1970 
1 1 1  -17   17   10 o  381.687   69.886  366.656   88.419  335.791   98.107  500.193  204.064  377.226   69.195  386.148  121.443 -8.922607 139.7724 
1 1 1  -17   17   11 o  221.590   59.517  118.647   68.381  124.938   80.479  102.312  129.682  225.290   76.591  217.890   91.120 7.399963 119.0332 
1 1 1  -17   17   12 o  239.357   63.880  145.286   74.686  143.513   84.581  151.562  159.129  238.052   78.482  240.662  100.813 -2.610535 127.7604 
1 1 1  -17   17   13 o  283.016   58.553  178.624   36.343  176.159   36.992  247.060  194.916  293.905   32.253  272.127  112.576 21.77756 117.1054 
1 1 1  -17   17   14 o  130.783   44.839   14.107   13.916   15.098   13.954 -169.5029  189.882   90.532   31.842  171.034   83.835 -80.50220 89.67823 
1 1 1  -17   17   15 o  253.370   80.111  172.223   88.694  172.223   88.694   0.0000   0.0000  253.370   80.111  ?   ?       ?      ? 
1 1 1  -17   17   16 o  165.732   36.590   59.320   23.032   59.320   23.032   0.0000   0.0000  165.732   36.590  ?   ?       ?      ? 
1 1 1  -17   17   17 o  412.250   73.443  484.156   58.411  472.749   59.430  808.078  316.698  478.234   31.845  346.266  143.393 131.9677 146.8865 
1 1 1  -17   17   18 o  132.772   49.675   1.5230   13.040   1.3172   13.064   56.004  212.535   67.189   28.552  198.354   95.159 -131.1653 99.34969 
1 1 1  -17   17   19 f  278.935   55.869  234.359   43.344  234.588   43.977  226.555  256.377  334.227   33.717  223.644  106.530 110.5828 111.7384 
1 1 1  -17   17   20 o  139.815   44.742   17.040   16.813   15.748   16.983   80.799  119.300   93.996   34.839  185.634   82.423 -91.63820 89.48322 
1 1 1  -17   17   21 o  252.844   57.929  236.570   76.347  258.093   79.858   7.8209  260.344  314.729   67.072  190.959   94.469 123.7699 115.8578 
1 1 1  -17   17   22 o  135.991   45.876 -31.1970   62.478  -6.2574   70.808 -118.8743  132.764  131.796   60.490  140.186   68.989 -8.390060 91.75256 
1 1 1  -17   17   23 o  126.701   43.971   4.3898   17.957   3.6536   18.113   46.385  136.805   79.697   33.731  173.706   81.217 -94.00881 87.94255 
1 1 1  -17   18    1 o  387.922  103.513  425.569  159.611  425.569  159.611   0.0000   0.0000  387.922  103.513  ?   ?       ?      ? 
1 1 1  -17   18    2 o  241.135   66.003  146.489   91.136   90.600  145.795  182.333  116.759  220.401   94.560  261.870   92.108 -41.46939 132.0054 
1 1 1  -17   18    3 o  274.551   65.197  173.300   89.407   61.252  115.072  343.964  142.017  198.386   84.531  350.716   99.282 -152.3297 130.3931 
1 1 1  -17   18    4 o  226.314   63.356  112.960   82.642  167.717  128.458   74.293  107.947  251.417   95.263  201.211   83.552 50.20612 126.7124 
1 1 1  -17   18    5 o  233.994   64.147  134.021   82.988  116.326  109.910  157.487  126.571  222.536   87.113  245.453   94.186 -22.91705 128.2949 
1 1 1  -17   18    6 o  233.362   62.911  120.378   79.348   65.525  100.777  209.851  128.709  193.492   80.570  273.233   96.642 -79.74084 125.8220 
1 1 1  -17   18    7 o  182.501   54.941   44.980   69.300   67.909   95.901   19.923  100.252  192.389   79.216  172.613   76.151 19.77560 109.8822 
1 1 1  -17   18    8 o  293.252   57.200  232.171   83.331  371.620  110.632   49.309  126.688  390.418   75.343  196.085   86.085 194.3325 114.3998 
1 1 1  -17   18    9 o  340.349   72.314  309.035   94.413  263.502  109.696  439.150  185.433  314.921   86.574  365.777  115.853 -50.85617 144.6274 
1 1 1  -17   18   10 o  199.689   59.428   75.577   75.990   83.564   91.172   57.404  137.525  197.894   78.749  201.484   89.024 -3.590561 118.8554 
1 1 1  -17   18   11 o  198.137   59.714   70.519   73.901   68.919   85.205   75.377  148.477  186.795   75.505  209.478   92.531 -22.68303 119.4276 
1 1 1  -17   18   12 o  289.183   72.228  215.581   83.389  181.245   91.644  380.819  201.039  260.965   81.272  317.401  119.425 -56.43607 144.4562 
1 1 1  -17   18   13 o  171.168   73.375   41.652   87.652   41.652   87.652   0.0000   0.0000  171.168   73.375  ?   ?       ?      ? 
1 1 1  -17   18   15 o  240.762  109.392  228.990  224.066   0.0000   0.0000  228.990  224.066  ?   ?   240.762  109.392      ?      ? 
1 1 1  -17   18   16 o  197.898   50.306   87.572   28.207   88.817   28.461   18.601  211.812  202.272   37.435  193.525   93.389 8.746643 100.6128 
1 1 1  -17   18   17 o  169.924   49.142   50.030   21.444   50.395   21.564   17.513  203.493  151.330   36.858  188.518   91.110 -37.18857 98.28310 
1 1 1  -17   18   18 o  199.469   48.487   93.755   28.088   95.291   28.335   6.7418  213.255  212.681   34.140  186.258   90.765 26.42238 96.97316 
1 1 1  -17   18   19 o  181.083   46.448   75.349   24.987   77.611   25.149 -97.9936  220.189  188.988   35.401  173.178   85.886 15.80969 92.89587 
1 1 1  -17   18   20 o  184.464   57.992   80.442   73.639   88.518   79.066   27.597  202.251  183.396   73.223  185.533   89.948 -2.136383 115.9836 
1 1 1  -17   18   21 o  144.975   46.922   25.780   21.557   25.759   21.737   27.086  167.841  112.373   39.719  177.577   85.024 -65.20356 93.84404 
1 1 1  -17   18   22 o  161.721   42.496   62.228   25.702   66.582   26.011 -117.9805  167.339  171.693   39.625  151.749   75.190 19.94440 84.99216 
1 1 1  -17   19    1 o  165.548   75.912 -17.3032  111.168 -17.3032  111.168   0.0000   0.0000  165.548   75.912  ?   ?       ?      ? 
1 1 1  -17   19    2 o  213.726   61.754   94.148   83.663   43.805  117.974  145.080  118.662  190.470   83.359  236.982   91.134 -46.51161 123.5075 
1 1 1  -17   19    3 o  265.472   68.159  197.663   91.010  176.393  123.486  222.953  134.654  253.650   93.957  277.295   98.766 -23.64485 136.3183 
1 1 1  -17   19    4 o  226.573   63.839   99.414   80.437  217.287  144.714   46.716   96.761  271.354  101.475  181.791   77.488 89.56311 127.6781 
1 1 1  -17   19    5 o  182.019   55.528   41.714   71.890   27.916   99.584   56.730  103.888  174.749   76.530  189.288   80.478 -14.53896 111.0569 
1 1 1  -17   19    6 o  251.345   56.625  162.647   78.395  271.573  100.483  -6.7877  125.322  326.842   79.536  175.848   80.622 150.9940 113.2508 
1 1 1  -17   19    7 o  369.110   71.508  388.008   97.393  372.508  111.330  438.554  201.040  387.979   76.250  350.241  120.993 37.73798 143.0151 
1 1 1  -17   19    8 o  202.423   65.612   34.202  102.618   97.629  205.588   13.156  118.426  227.311  103.860  177.535   80.207 49.77565 131.2250 
1 1 1  -17   19    9 f  404.597   75.758  473.547  107.175  441.004  120.367  598.078  235.463  420.741   76.111  388.453  131.013 32.28790 151.5164 
1 1 1  -17   19   10 o  233.749   65.348  152.876   88.260  168.220  106.647  119.522  157.234  245.255   87.839  222.242   96.776 23.01283 130.6951 
1 1 1  -17   19   11 o  162.978   72.868   15.403   94.942   15.403   94.942   0.0000   0.0000  162.978   72.868  ?   ?       ?      ? 
1 1 1  -17   19   12 o  244.964   84.449  171.497   97.915  171.497   97.915   0.0000   0.0000  244.964   84.449  ?   ?       ?      ? 
1 1 1  -17   19   13 o  164.537   57.701 -166.8201  134.081 -202.4694  230.301 -148.5406  164.911  172.652   85.990  156.422   76.962 16.23030 115.4010 
1 1 1  -17   19   14 o  186.423   58.968   67.578   76.146   72.457   83.244   42.577  188.447  179.139   73.787  193.708   92.001 -14.56897 117.9354 
1 1 1  -17   19   15 o  298.465   54.859  282.314   44.349  285.091   45.247  214.450  223.702  370.593   31.287  226.336  105.163 144.2569 109.7181 
1 1 1  -17   19   16 o  150.709   49.694   23.551   16.498   23.164   16.558   77.036  194.666  105.672   34.719  195.746   93.126 -90.07399 99.38721 
1 1 1  -17   19   17 o  116.569   45.783  -5.5727   9.5967  -5.6332   9.6087   18.617  192.178   49.349   22.511  183.790   88.757 -134.4415 91.56695 
1 1 1  -17   19   18 o  139.618   49.562 -79.6928   64.849 -86.1240   69.159 -32.8618  186.624  105.526   51.482  173.709   84.706 -68.18340 99.12379 
1 1 1  -17   19   19 o  178.191   55.425   72.053   66.180   80.184   71.627   24.603  173.026  177.204   70.025  179.178   85.933 -1.974182 110.8510 
1 1 1  -17   19   20 o  148.508   45.620   34.494   22.100   34.919   22.328   14.027  154.885  125.828   40.238  171.187   81.889 -45.35825 91.24096 
1 1 1  -17   19   21 o  148.104   50.882   6.1752   18.953   3.4382   19.085  202.935  161.813   81.019   34.471  215.189   95.747 -134.1709 101.7634 
1 1 1  -17   20    1 o  221.888   82.012  124.332   93.980  124.332   93.980   0.0000   0.0000  221.888   82.012  ?   ?       ?      ? 
1 1 1  -17   20    2 o  177.792   54.750   28.069   71.196 -11.7324   93.793   82.183  109.365  154.572   70.441  201.012   83.837 -46.43987 109.5009 
1 1 1  -17   20    3 o  315.432   75.093  261.828  101.117  174.187  118.109  502.395  195.680  249.092   91.964  381.771  118.736 -132.6785 150.1855 
1 1 1  -17   20    4 o  191.567   59.141   55.083   83.411   25.197  134.743   73.651  106.207  187.728   85.115  195.406   82.134 -7.678207 118.2818 
1 1 1  -17   20    5 o  193.104   56.540   72.223   70.349  102.593  100.653   43.220   98.364  208.036   82.756  178.171   77.063 29.86530 113.0805 
1 1 1  -17   20    6 o  222.781   63.095   90.731   83.342   10.043  102.515  248.015  143.129  166.413   74.955  279.148  101.518 -112.7355 126.1908 
1 1 1  -17   20    7 o  198.276   57.631   82.814   76.414  130.873   95.993  -0.3205  126.254  222.421   82.751  174.130   80.234 48.29070 115.2615 
1 1 1  -17   20    8 o  212.433   68.931   84.285  129.543   27.156  222.873  113.433  159.197  207.893   99.110  216.972   95.828 -9.078201 137.8613 
1 1 1  -17   20    9 o  274.220   88.156  221.216  107.062  221.216  107.062   0.0000   0.0000  274.220   88.156  ?   ?       ?      ? 
1 1 1  -17   20   10 o  166.342   74.123   28.694   97.367   28.694   97.367   0.0000   0.0000  166.342   74.123  ?   ?       ?      ? 
1 1 1  -17   20   11 o  224.938   70.588  170.430  125.846  106.483  227.422  198.654  151.086  212.149  100.850  237.727   98.793 -25.57887 141.1758 
1 1 1  -17   20   12 o  207.754   58.671  122.866   69.073  129.488   78.331   99.714  146.461  215.609   75.465  199.899   89.856 15.70990 117.3415 
1 1 1  -17   20   13 o  159.576   52.076   22.277   58.548   25.096   63.009   4.4613  158.412  142.999   61.764  176.153   83.862 -33.15483 104.1515 
1 1 1  -17   20   14 o  209.319   61.750  115.044   65.260  104.007   69.368  200.035  192.503  196.147   70.775  222.491  101.207 -26.34370 123.4990 
1 1 1  -17   20   15 o  204.447   64.269   96.838   72.796   76.386   77.091  265.227  221.203  176.707   71.682  232.186  106.694 -55.47903 128.5377 
1 1 1  -17   20   16 o  188.774   62.659   28.591   76.267 -10.6268   81.766  291.063  211.531  138.211   63.994  239.337  107.747 -101.1259 125.3184 
1 1 1  -17   20   17 o  165.252   55.102   15.397   68.867   2.2982   74.988   85.948  174.033  138.322   63.015  192.183   90.410 -53.86137 110.2041 
1 1 1  -17   20   18 o  151.562   46.598   32.156   20.254   31.399   20.455   70.106  144.794  120.189   38.522  182.936   84.863 -62.74718 93.19680 
1 1 1  -17   20   19 o  136.497   43.832   22.307   19.321   22.285   19.517   23.383  136.787  105.553   37.600  167.441   79.190 -61.88755 87.66351 
1 1 1  -17   21    1 o  217.020  102.286   79.064  224.674   79.064  224.674   0.0000   0.0000  217.020  102.286  ?   ?       ?      ? 
1 1 1  -17   21    2 o  139.378   49.949 -110.0773   67.571 -205.9505  215.822 -99.6582   71.148  171.853   85.194  106.904   52.168 64.94883 99.89725 
1 1 1  -17   21    3 o  189.390   56.803   62.887   74.015   14.285   99.539  122.992  110.694  163.899   73.837  214.880   86.340 -50.98132 113.6067 
1 1 1  -17   21    4 o  240.624   68.433  157.771  102.282   53.715  133.788  304.129  158.670  190.351   85.692  290.896  106.720 -100.5449 136.8664 
1 1 1  -17   21    5 o  184.503   57.704   55.296   81.340   49.562  108.257   62.730  123.262  179.700   79.212  189.306   83.930 -9.606384 115.4071 
1 1 1  -17   21    6 o  183.279   79.640   62.936  106.030   62.936  106.030   0.0000   0.0000  183.279   79.640  ?   ?       ?      ? 
1 1 1  -17   21    7 o  125.467   60.419 -77.0972   87.557 -77.0972   87.557   0.0000   0.0000  125.467   60.419  ?   ?       ?      ? 
1 1 1  -17   21    8 o  188.481   52.106   82.338   64.603  142.507   79.145 -37.7961  111.833  226.327   75.958  150.635   71.349 75.69170 104.2126 
1 1 1  -17   21    9 o  190.918   61.150   75.587   96.258   31.246  178.874   93.662  114.203  188.187   89.453  193.649   83.397 -5.462265 122.2990 
1 1 1  -17   21   10 o  180.693   58.515   50.481   85.559   73.526  163.182   41.744  100.477  192.944   89.704  168.443   75.161 24.50102 117.0302 
1 1 1  -17   21   11 o  137.005   44.350  -3.1417   51.991  -0.2809   65.489  -8.0182   85.503  131.746   59.571  142.263   65.718 -10.51697 88.69981 
1 1 1  -17   21   12 o  173.997   51.680   68.467   57.364   72.181   68.737   59.945  104.124  173.008   68.525  174.985   77.381 -1.977463 103.3610 
1 1 1  -17   21   13 o  179.327   54.347   65.684   60.078   47.128   69.290  121.889  120.591  157.406   66.260  201.247   86.161 -43.84000 108.6932 
1 1 1  -17   21   14 o  163.418   53.101 -16.1524   63.699 -66.6514   72.452  155.781  133.687  113.585   54.764  213.251   90.995 -99.66591 106.2029 
1 1 1  -17   21   15 o  158.453   52.817 -17.8351   61.499 -50.3338   67.835  132.150  145.729  114.101   54.474  202.806   90.504 -88.70458 105.6333 
1 1 1  -17   21   16 o  161.363   51.710   36.498   58.544   33.555   64.732   49.723  137.211  146.332   62.901  176.393   82.092 -30.06024 103.4195 
1 1 1  -17   21   17 o  233.228   46.501  161.121   34.927  164.959   35.868   90.886  153.448  279.357   32.902  187.099   86.987 92.25830 93.00146 
1 1 1  -17   22    1 o  166.727   82.612 -154.0136  202.028 -154.0136  202.028   0.0000   0.0000  166.727   82.612  ?   ?       ?      ? 
1 1 1  -17   22    2 o  246.680  113.848  315.074  255.716  315.074  255.716   0.0000   0.0000  246.680  113.848  ?   ?       ?      ? 
1 1 1  -17   22    3 o  231.841  109.589  244.502  261.328  244.502  261.328   0.0000   0.0000  231.841  109.589  ?   ?       ?      ? 
1 1 1  -17   22    4 o  260.713   61.131  213.811   84.988  335.676  117.474   79.983  123.105  332.002   88.899  189.423   83.934 142.5791 122.2617 
1 1 1  -17   22    5 o  141.435   46.728 -22.1477   63.112 -34.0349   83.702  -6.4848   96.080  133.189   62.670  149.680   69.327 -16.49075 93.45499 
1 1 1  -17   22    6 o  215.736   53.888  139.213   68.973  202.096   82.742  -3.9921  124.865  268.327   75.720  163.145   76.696 105.1816 107.7760 
1 1 1  -17   22    7 o  223.168   69.016  183.951  112.438  184.964  203.641  183.507  134.858  218.991  101.254  227.345   93.812 -8.354141 138.0324 
1 1 1  -17   22    8 o  136.778   45.246 -27.9261   55.643 -54.6205   67.976   26.283   96.868  113.516   54.287  160.040   72.400 -46.52396 90.49264 
1 1 1  -17   22    9 o  150.329   51.069 -37.4617   79.555 -41.0710  149.540 -36.0370   93.954  162.506   78.433  138.153   65.425 24.35292 102.1380 
1 1 1  -17   22   10 o  145.225   47.106   5.2976   55.374   1.5892   65.410   14.678  104.034  131.998   59.624  158.452   72.944 -26.45390 94.21185 
1 1 1  -17   22   11 o  212.876   54.490  140.881   63.599  169.541   74.391   63.041  122.599  246.125   72.532  179.627   81.338 66.49797 108.9807 
1 1 1  -17   22   12 o  157.182   49.529   33.703   59.280   37.467   72.154   25.884  103.981  152.911   66.070  161.453   73.805 -8.542404 99.05771 
1 1 1  -17   22   13 o  143.962   47.370 -13.4488   55.314 -38.3493   64.264   57.742  108.662  114.689   54.253  173.236   77.668 -58.54736 94.74052 
1 1 1  -17   22   14 o  158.761   49.062   46.471   52.902   57.036   58.702   0.7910  122.060  158.428   63.144  159.093   75.108 -0.6641083 98.12403 
1 1 1  -17   22   15 o  208.242   50.433  141.216   57.199  168.063   62.308  -2.6323  144.228  252.712   63.313  163.773   78.521 88.93872 100.8664 
1 1 1  -17   23    1 o  183.682   61.933   35.400  120.520   19.435  204.947   43.839  149.007  186.552   90.466  180.812   84.609 5.740265 123.8660 
1 1 1  -17   23    2 o  167.772   57.200 -12.6151  100.392 -58.6319  212.846   0.5512  113.851  176.931   87.127  158.613   74.138 18.31757 114.4003 
1 1 1  -17   23    3 o  152.645   54.804 -115.7404   83.318   45.229  235.925 -138.6771   89.057  194.106   94.782  111.183   55.047 82.92343 109.6075 
1 1 1  -17   23    4 o  169.318   59.637 -20.5550   85.492   51.404  317.009 -26.1991   88.782  200.865  100.176  137.771   64.736 63.09462 119.2731 
1 1 1  -17   23    5 o  165.389   58.490 -43.7487   87.067   60.617  283.992 -54.5762   91.472  199.414   98.654  131.363   62.863 68.05096 116.9805 
1 1 1  -17   23    6 o  186.587   55.659   88.587   73.102  126.576   91.703   22.367  121.073  206.136   79.880  167.038   77.528 39.09731 111.3170 
1 1 1  -17   23    7 o  154.585   51.057   2.1988   70.051  -1.2211   82.995   10.670  130.623  142.329   65.385  166.840   78.436 -24.51054 102.1147 
1 1 1  -17   23    8 o  170.917   52.978   56.200   69.772   88.701   81.307 -34.5871  135.893  183.809   73.947  158.026   75.885 25.78302 105.9562 
1 1 1  -17   23    9 o  246.233  105.673  288.895  182.170   0.0000   0.0000  288.895  182.170  ?   ?   246.233  105.673      ?      ? 
1 1 1  -17   23   10 f  161.724   53.513   16.240   73.692   9.5466   84.282   37.966  151.851  146.145   66.667  177.302   83.726 -31.15636 107.0260 
1 1 1  -17   23   11 o  127.633   43.965 -63.1394   62.867 -36.5991   70.868 -161.1818  136.208  120.483   56.987  134.784   66.964 -14.30100 87.93027 
1 1 1  -17   23   12 o  180.133   55.402   78.646   62.098   75.988   67.774   92.551  155.022  172.316   68.109  187.950   87.399 -15.63434 110.8036 
1 1 1  -17   23   13 o  192.004   55.037  111.403   61.371  119.945   66.066   57.632  165.759  204.803   69.395  179.206   85.444 25.59746 110.0744 
1 1 1  -17   24    1 o  202.239   66.704  120.146  125.698  196.056  201.320   71.647  160.918  216.838  100.405  187.641   87.844 29.19690 133.4076 
1 1 1  -17   24    2 o  195.235   64.732   87.978  117.151  181.647  201.874   40.415  143.852  213.456   99.418  177.014   82.928 36.44186 129.4643 
1 1 1  -17   24    3 o  175.930   59.949   7.3396  110.708   74.172  206.312 -19.6866  131.197  192.907   92.857  158.952   75.850 33.95422 119.8986 
1 1 1  -17   24    4 o  168.610   55.937   20.996   93.136   22.083  132.316   19.929  131.120  169.058   79.307  168.163   78.906 0.8947754 111.8738 
1 1 1  -17   24    5 o  195.502   61.935  111.860   97.383  128.013  141.613   97.368  134.131  200.551   89.378  190.452   85.764 10.09906 123.8707 
1 1 1  -17   24    6 o  169.018   55.613   21.628   91.468   89.156  125.907 -53.8402  133.103  186.418   83.590  151.618   73.375 34.79985 111.2259 
1 1 1  -17   24    7 o  148.542   51.188 -69.6079   94.336 -59.5281  120.808 -85.3580  151.012  144.716   70.003  152.369   74.701 -7.652725 102.3756 
1 1 1  -17   24    8 o  195.542   63.542   98.614   91.463   68.085  101.496  230.522  210.977  173.651   76.615  217.434  101.393 -43.78281 127.0836 
1 1 1  -17   24    9 f  170.456   59.253 -32.0505  137.961   21.144  171.026 -131.1492  233.433  174.137   84.004  166.775   83.590 7.362503 118.5070 
1 1 1  -17   24   10 o  208.192   64.206  166.373   96.185  167.893  108.545  160.815  207.550  216.602   86.010  199.783   95.353 16.81822 128.4130 
1 1 1  -17   25    1 o  135.013   47.795 -176.1396  100.753 -291.9945  187.700 -129.2472  119.415  139.930   70.740  130.096   64.289 9.833954 95.58924 
1 1 1  -17   25    2 o  193.704   88.791  120.092  151.906   0.0000   0.0000  120.092  151.906  ?   ?   193.704   88.791      ?      ? 
1 1 1  -17   25    3 o  222.570   99.506  236.791  177.025   0.0000   0.0000  236.791  177.025  ?   ?   222.570   99.506      ?      ? 
1 1 1  -17   25    4 o  287.371   83.581  463.061  179.954   41.918  240.322  1000.60  271.509  184.463   91.164  390.280  140.114 -205.8166 167.1610 
1 1 1  -16    0    1 o  518.411   18.441  530.178   52.455  530.178   52.455  530.178   52.455  518.411   26.079  518.411   26.079 0.000000 0.000000 
1 1 1  -16    0    2 o  622.097   28.239  770.490   96.034  770.490   96.034  770.490   96.034  622.097   39.936  622.097   39.936 0.000000 0.000000 
1 1 1  -16    0    3 o  583.280   19.247  670.640   61.650  670.640   61.650  670.640   61.650  583.280   27.220  583.280   27.220 0.000000 0.000000 
1 1 1  -16    0    4 o  561.489   18.992  621.593   58.546  621.593   58.546  621.593   58.546  561.489   26.859  561.489   26.859 0.000000 0.000000 
1 1 1  -16    0    5 o  237.282   26.689  118.546   32.300  118.546   32.300  118.546   32.300  237.282   37.743  237.282   37.743 0.000000 0.000000 
1 1 1  -16    0    6 o  352.637   17.137  246.755   32.990  246.755   32.990  246.755   32.990  352.637   24.236  352.637   24.236 0.000000 0.000000 
1 1 1  -16    0    7 o  798.527   22.233  1256.05   97.635  1256.05   97.635  1256.05   97.635  798.527   31.442  798.527   31.442 0.000000 0.000000 
1 1 1  -16    0    8 o  747.648   21.480  1101.09   88.297  1101.09   88.297  1101.09   88.297  747.648   30.377  747.648   30.377 0.000000 0.000000 
1 1 1  -16    0    9 o  750.330   21.607  1109.17   89.134  1109.17   89.134  1109.17   89.134  750.330   30.556  750.330   30.556 -0.000000 0.000000 
1 1 1  -16    0   10 o  327.132   24.452  216.971   43.016  216.971   43.016  216.971   43.016  327.132   34.580  327.132   34.580 -0.000000 0.000000 
1 1 1  -16    0   11 o  1115.92   27.477  2458.56  168.757  2458.56  168.757  2458.56  168.757  1115.92   38.859  1115.92   38.859 0.000000 0.000000 
1 1 1  -16    0   12 o  159.715   21.303   54.978   16.827   54.978   16.827   54.978   16.827  159.715   30.127  159.715   30.127 0.000000 0.000000 
1 1 1  -16    0   13 o  405.782   17.711  326.111   39.316  326.111   39.316  326.111   39.316  405.782   25.047  405.782   25.047 0.000000 0.000000 
1 1 1  -16    0   14 o  800.768   22.417  1264.68   98.713  1264.68   98.713  1264.68   98.713  800.768   31.702  800.768   31.702 -0.000000 0.000000 
1 1 1  -16    0   15 o  263.070   18.404  139.510   26.119  139.510   26.119  139.510   26.119  263.070   26.027  263.070   26.027 -0.000000 0.000000 
1 1 1  -16    0   16 o  397.860   18.105  313.991   39.376  313.991   39.376  313.991   39.376  397.860   25.604  397.860   25.604 -0.000000 0.000000 
1 1 1  -16    0   17 o  495.324   27.717  492.709   74.675  492.709   74.675  492.709   74.675  495.324   39.197  495.324   39.197 0.000000 0.000000 
1 1 1  -16    0   18 o  150.444   28.146   52.851   20.190   52.851   20.190   52.851   20.190  150.444   39.805  150.444   39.805 0.000000 0.000000 
1 1 1  -16    0   19 o  217.567   21.587   98.358   24.456   98.358   24.456   98.358   24.456  217.567   30.529  217.567   30.529 0.000000 0.000000 
1 1 1  -16    0   20 o  237.514   21.062  116.114   26.432  116.114   26.432  116.114   26.432  237.514   29.787  237.514   29.787 0.000000 0.000000 
1 1 1  -16    0   21 o  153.300   34.486   58.919   25.689   58.919   25.689   58.919   25.689  153.300   48.770  153.300   48.770 -0.000000 0.000000 
1 1 1  -16    0   22 o  286.328   26.780  171.220   40.255  171.220   40.255  171.220   40.255  286.328   37.873  286.328   37.873 -0.000000 0.000000 
1 1 1  -16    0   23 o  165.852   28.601   63.469   22.680   63.469   22.680   63.469   22.680  165.852   40.448  165.852   40.448 -0.000000 0.000000 
1 1 1  -16    0   24 o  218.272   23.435  100.862   26.301  100.862   26.301  100.862   26.301  218.272   33.142  218.272   33.142 -0.000000 0.000000 
1 1 1  -16    0   25 o  139.208   33.340   50.244   22.932   50.244   22.932   50.244   22.932  139.208   47.150  139.208   47.150 0.000000 0.000000 
1 1 1  -16    0   26 o  153.487   33.791   59.300   25.086   59.300   25.086   59.300   25.086  153.487   47.788  153.487   47.788 0.000000 0.000000 
1 1 1  -16    0   27 o  683.542   22.442  939.639   84.243  939.639   84.243  939.639   84.243  683.542   31.737  683.542   31.737 -0.000000 0.000000 
1 1 1  -16    0   28 o   65.217   32.635 -53.1465   48.307 -53.1465   48.307 -53.1465   48.307   65.217   46.153   65.217   46.153 -0.000000 0.000000 
1 1 1  -16    0   29 o   89.722   34.512   24.449   24.141   24.449   24.141   24.449   24.141   89.722   48.807   89.722   48.807 0.000000 0.000000 
1 1 1  -16    0   30 o  558.125   22.032  633.524   67.381  633.524   67.381  633.524   67.381  558.125   31.159  558.125   31.159 0.000000 0.000000 
1 1 1  -16    0   31 o  247.326   59.289  178.178   72.474  178.178   72.474  178.178   72.474  247.326   83.847  247.326   83.847 -0.000000 0.000000 
1 1 1  -16    0   32 o  393.339   29.136  330.115   61.660  330.115   61.660  330.115   61.660  393.339   41.205  393.339   41.205 0.000000 0.000000 
1 1 1  -16    1    1 o  287.321   16.128  161.911   18.082  158.796   25.389  165.117   25.758  284.513   22.867  290.128   22.750 -5.615112 32.25672 
1 1 1  -16    1    2 o  625.406   24.183  768.468   55.376  761.220   67.389  783.536   97.170  622.152   27.756  628.660   39.608 -6.507446 48.36560 
1 1 1  -16    1    3 o  1299.42   30.831  3358.25  156.335  3369.24  221.742  3347.38  220.446  1301.50   43.659  1297.33   43.543 4.164551 61.66113 
1 1 1  -16    1    4 o  475.431   22.043  448.000   38.535  453.415   47.344  437.369   66.334  480.509   25.248  470.353   36.139 10.15594 44.08522 
1 1 1  -16    1    5 o  724.428   42.493  1042.54  120.128   0.0000   0.0000  1042.54  120.128  ?   ?   724.428   42.493      ?      ? 
1 1 1  -16    1    6 o  391.190   17.116  300.241   26.120  311.530   37.272  289.347   36.614  398.435   23.971  383.944   24.437 14.49063 34.23150 
1 1 1  -16    1    7 o  657.627   20.135  850.632   51.672  859.579   73.350  841.818   72.803  661.067   28.433  654.186   28.518 6.880981 40.27022 
1 1 1  -16    1    8 o  560.979   18.868  618.419   41.305  622.866   58.569  614.019   58.261  562.988   26.658  558.969   26.709 4.019897 37.73648 
1 1 1  -16    1    9 o  514.624   18.375  519.996   36.891  505.526   51.426  535.337   52.951  507.254   25.979  521.994   25.994 -14.73984 36.75073 
1 1 1  -16    1   10 o  595.536   27.330  701.979   63.471  729.951   91.830  676.391   87.828  606.850   38.777  584.221   38.523 22.62836 54.65960 
1 1 1  -16    1   11 o  346.695   16.937  236.014   22.912  240.564   32.448  231.488   32.356  350.047   23.754  343.344   24.148 6.702087 33.87325 
1 1 1  -16    1   12 o  792.301   22.162  1238.04   68.505  1215.49   95.581  1261.86   98.235  784.925   31.204  799.677   31.479 -14.75183 44.32399 
1 1 1  -16    1   13 o  336.057   17.192  221.910   22.544  223.667   31.812  220.138   31.953  337.408   24.161  334.706   24.463 2.701721 34.38303 
1 1 1  -16    1   14 o  485.664   18.350  464.033   34.778  464.949   49.097  463.111   49.271  486.156   25.879  485.172   26.023 0.9837952 36.70049 
1 1 1  -16    1   15 o  454.715   18.206  406.371   32.287  389.024   44.854  425.025   46.513  444.640   25.850  464.790   25.644 -20.14957 36.41242 
1 1 1  -16    1   16 o  275.533   18.042  149.515   19.307  168.877   27.659  131.115   26.963  293.063   24.185  258.004   26.780 35.05911 36.08426 
1 1 1  -16    1   17 f  745.041   31.255  1113.12   90.867  1111.39  127.822  1114.89  129.199  744.551   43.993  745.531   44.408 -0.9799805 62.50949 
1 1 1  -16    1   18 o  451.456   18.511  401.766   32.603  389.580   45.550  414.569   46.688  444.424   26.264  458.488   26.094 -14.06384 37.02289 
1 1 1  -16    1   19 o  559.562   19.575  619.345   42.741  628.913   60.904  610.060   59.995  563.821   27.680  555.304   27.686 8.516724 39.14972 
1 1 1  -16    1   20 o  546.452   19.571  591.973   41.726  607.973   59.531  576.522   58.501  553.748   27.549  539.155   27.805 14.59314 39.14129 
1 1 1  -16    1   21 f  491.902   26.439  487.725   50.702  513.022   73.649  464.935   69.904  503.977   37.448  479.826   37.332 24.15073 52.87742 
1 1 1  -16    1   22 o  399.791   19.206  318.296   29.925  342.028   43.048  296.104   41.628  414.363   26.622  385.219   27.691 29.14398 38.41273 
1 1 1  -16    1   23 o  389.194   19.527  303.319   29.652  309.483   41.919  297.147   41.948  393.258   27.315  385.129   27.911 8.128693 39.05327 
1 1 1  -16    1   24 o  299.349   20.412  180.398   23.843  178.081   33.450  182.791   33.994  297.411   28.821  301.288   28.913 -3.877472 40.82371 
1 1 1  -16    1   25 o  373.554   20.172  279.289   29.106  339.297   43.010  228.591   39.533  411.010   26.815  336.098   30.141 74.91208 40.34303 
1 1 1  -16    1   26 o  329.411   21.651  220.460   27.739  243.560   39.645  198.303   38.827  346.874   29.288  311.948   31.895 34.92627 43.30165 
1 1 1  -16    1   27 o  323.460   22.151  213.216   27.827  186.305   38.293  243.330   40.507  301.303   32.567  345.616   30.034 -44.31253 44.30176 
1 1 1  -16    1   28 o  190.109   44.759   74.496   42.833   19.865   56.182  150.321   66.189  137.545   58.847  242.674   67.458 -105.1290 89.51849 
1 1 1  -16    1   29 o  402.658   22.012  336.333   34.570  348.459   48.923  324.240   48.856  410.347   30.551  394.968   31.697 15.37869 44.02391 
1 1 1  -16    1   30 o  330.213   22.628  227.273   29.060  253.629   42.077  203.238   40.182  349.231   30.875  311.196   33.088 38.03482 45.25546 
1 1 1  -16    1   31 o  128.543   37.700   26.789   26.171   30.928   28.440   3.9045   66.875  123.365   45.193  133.721   60.356 -10.35585 75.40042 
1 1 1  -16    1   32 o  333.417   29.229  245.560   37.893  229.973   54.427  260.222   52.787  321.138   43.430  345.697   39.129 -24.55920 58.45766 
1 1 1  -16    2    1 o  445.607   17.501  389.543   30.420  376.174   42.344  403.801   43.731  437.708   24.790  453.506   24.710 -15.79764 35.00192 
1 1 1  -16    2    2 o  859.245   28.362  1482.06   90.741  1527.83  113.629  1401.48  150.759  879.995   33.088  838.496   46.073 41.49915 56.72385 
1 1 1  -16    2    3 o  407.889   17.091  326.565   27.204  328.014   38.305  325.091   38.640  408.818   24.010  406.960   24.331 1.857544 34.18293 
1 1 1  -16    2    4 o  327.837   20.208  201.901   24.066  186.905   28.685  237.542   44.224  308.619   23.818  347.056   32.653 -38.43716 40.41675 
1 1 1  -16    2    5 o  462.992   25.175  420.911   45.485   0.0000   0.0000  420.911   45.485  ?   ?   462.992   25.175      ?      ? 
1 1 1  -16    2    6 o  626.415   24.134  792.308   56.578  846.209   72.082  705.804   91.315  655.956   28.159  596.874   39.204 59.08209 48.26865 
1 1 1  -16    2    7 o  304.488   16.619  181.761   19.736  173.288   27.529  190.722   28.309  297.175   23.738  311.801   23.265 -14.62558 33.23825 
1 1 1  -16    2    8 o  835.083   22.739  1374.69   74.097  1390.97  105.665  1358.94  103.934  839.925   32.237  830.241   32.079 9.684082 45.47866 
1 1 1  -16    2    9 o  429.177   24.932  361.698   41.756   0.0000   0.0000  361.698   41.756  ?   ?   429.177   24.932      ?      ? 
1 1 1  -16    2   10 o  509.595   22.128  490.196   40.869  456.470   48.668  570.862   75.269  481.964   25.876  537.227   35.902 -55.26324 44.25554 
1 1 1  -16    2   11 o  629.925   19.811  780.270   48.679  806.904   70.094  755.457   67.655  640.293   28.052  619.558   27.983 20.73492 39.62268 
1 1 1  -16    2   12 o  332.708   17.068  217.445   22.141  229.497   31.511  205.692   31.117  341.861   23.620  323.555   24.644 18.30637 34.13537 
1 1 1  -16    2   13 o  504.839   18.427  501.236   36.298  512.560   51.655  490.190   51.017  510.491   25.929  499.187   26.189 11.30411 36.85342 
1 1 1  -16    2   14 o  936.353   24.529  1735.31   89.603  1768.58  128.634  1703.94  124.886  944.993   34.881  927.714   34.496 17.27966 49.05792 
1 1 1  -16    2   15 o  316.498   17.569  196.889   21.693  190.423   30.325  203.666   31.045  311.166   24.973  321.830   24.719 -10.66409 35.13847 
1 1 1  -16    2   16 f  393.507   17.935  304.731   27.538  304.599   38.665  304.866   39.231  393.445   25.183  393.569   25.543 -0.1244507 35.86977 
1 1 1  -16    2   17 o  557.709   28.052  620.872   61.027  632.569   85.649  608.811   86.975  563.264   38.965  552.154   40.365 11.11011 56.10371 
1 1 1  -16    2   18 o  302.599   18.476  180.464   21.808  175.016   30.311  186.311   31.399  297.875   26.075  307.323   26.181 -9.447510 36.95107 
1 1 1  -16    2   19 f  642.611   20.595  815.427   51.544  771.037   70.237  867.232   75.877  623.822   28.852  661.401   29.398 -37.57849 41.19047 
1 1 1  -16    2   20 f  138.782   24.547   39.766   13.346   47.814   19.390   32.521   18.397  151.844   33.611  125.720   35.784 26.12437 49.09368 
1 1 1  -16    2   21 o  542.000   27.298  594.722   57.714  571.210   80.708  619.328   82.565  530.860   38.959  553.140   38.250 -22.28003 54.59694 
1 1 1  -16    2   22 o  142.843   25.277   43.172   14.158   35.912   20.454   49.851   19.618  131.229   37.851  154.456   33.511 -23.22720 50.55399 
1 1 1  -16    2   23 o  183.057   24.708   69.526   17.246   61.225   24.443   77.755   24.337  169.906   37.836  196.208   31.785 -26.30170 49.41513 
1 1 1  -16    2   24 o  249.428   21.810  125.861   21.227  126.330   29.843  125.380   30.199  249.971   30.593  248.886   31.093 1.084106 43.61994 
1 1 1  -16    2   25 o  539.258   20.660  587.371   43.462  591.414   60.818  583.151   62.133  541.422   28.785  537.093   29.644 4.330017 41.32020 
1 1 1  -16    2   26 o  186.087   27.292   74.262   19.478   59.409   28.102   87.997   27.023  164.838   43.173  207.337   33.398 -42.49953 54.58367 
1 1 1  -16    2   27 o  264.653   22.988  143.985   23.693  134.124   33.565  153.777   33.448  255.114   33.715  274.193   31.259 -19.07838 45.97662 
1 1 1  -16    2   28 o  420.542   35.988  392.620   58.462  367.597   76.580  427.576   90.511  407.532   48.153  433.551   53.497 -26.01849 71.97669 
1 1 1  -16    2   29 o  186.885   29.209   78.270   20.658   75.552   30.819   80.487   27.839  182.474   43.829  191.297   38.622 -8.822891 58.41822 
1 1 1  -16    2   30 o  118.763   28.858   28.754   17.606   7.1995   27.823   43.149   22.738   98.482   41.750  139.043   39.851 -40.56102 57.71665 
1 1 1  -16    2   31 o  184.877   38.972   94.512   31.793  109.927   35.297   28.251   73.181  221.022   42.467  148.732   65.359 72.28999 77.94353 
1 1 1  -16    2   32 o  335.740   29.358  243.569   38.019  286.501   59.533  214.001   49.406  359.296   42.459  312.184   40.554 47.11234 58.71508 
1 1 1  -16    3    1 o  897.885   23.719  1590.97   83.108  1587.41  117.178  1594.58  117.891  896.893   33.479  898.877   33.608 -1.983337 47.43814 
1 1 1  -16    3    2 o  425.722   17.366  355.712   28.847  351.326   40.394  360.278   41.210  423.053   24.468  428.390   24.651 -5.336609 34.73225 
1 1 1  -16    3    3 o  847.953   28.208  1420.64   87.692  1439.56  153.188  1411.41  106.949  849.862   46.190  846.045   32.393 3.816345 56.41619 
1 1 1  -16    3    4 f  445.171   25.169  391.371   43.698  385.835   60.590  397.371   63.081  441.965   35.130  448.378   36.051 -6.413239 50.33720 
1 1 1  -16    3    5 o  941.820   30.093  1773.58  105.008  1724.02  177.633  1800.21  130.192  928.914   49.002  954.726   34.944 -25.81262 60.18559 
1 1 1  -16    3    6 o  612.961   23.846  735.166   53.565  723.404   65.135  759.740   94.147  606.602   27.516  619.320   38.955 -12.71832 47.69272 
1 1 1  -16    3    7 o  188.655   15.706   69.725   11.557   67.791   16.036   71.816   16.671  185.939   22.099  191.371   22.323 -5.431610 31.41188 
1 1 1  -16    3    8 o  814.903   22.481  1308.96   71.487  1300.20  100.368  1317.98  101.845  812.168   31.668  817.639   31.919 -5.470642 44.96288 
1 1 1  -16    3    9 o  264.799   23.259  138.751   23.957  127.511   34.155  149.637   33.613  254.070   34.448  275.529   31.262 -21.45901 46.51837 
1 1 1  -16    3   10 o   76.485   18.875   9.5110   7.2345   3.9097   10.305   14.954   10.159   65.598   26.349   87.372   27.034 -21.77406 37.75030 
1 1 1  -16    3   11 o  420.126   17.540  346.283   28.737  331.454   39.795  362.441   41.541  410.738   24.827  429.514   24.784 -18.77615 35.08033 
1 1 1  -16    3   12 o  1093.67   27.179  2373.47  115.980  2402.72  165.752  2345.42  162.342  1100.19   38.606  1087.16   38.266 13.03516 54.35715 
1 1 1  -16    3   13 o  901.923   23.940  1609.00   84.256  1624.46  119.906  1593.92  118.421  906.183   33.907  897.662   33.805 8.520752 47.88005 
1 1 1  -16    3   14 o  557.879   19.177  611.711   41.709  586.271   57.493  639.975   60.601  545.679   26.999  570.078   27.240 -24.39917 38.35330 
1 1 1  -16    3   15 o  412.995   18.044  335.619   29.077  337.076   40.785  334.112   41.464  413.943   25.248  412.047   25.786 1.895721 36.08895 
1 1 1  -16    3   16 o  452.234   26.944  407.266   47.353  455.202   67.654  361.229   66.300  478.769   36.211  425.699   39.910 53.07001 53.88886 
1 1 1  -16    3   17 o  233.953   18.957  108.055   17.253  118.718   24.541   97.637   24.259  245.483   25.618  222.422   27.948 23.06123 37.91302 
1 1 1  -16    3   18 o  336.991   18.309  224.165   24.062  232.723   33.935  215.513   34.122  343.545   25.312  330.438   26.461 13.10669 36.61856 
1 1 1  -16    3   19 o  352.148   18.518  245.089   25.418  261.422   36.299  229.377   35.603  363.763   25.571  340.533   26.792 23.22961 37.03621 
1 1 1  -16    3   20 o  358.657   18.640  254.421   26.054  236.907   36.058  273.556   37.688  345.688   26.729  371.626   25.987 -25.93793 37.27976 
1 1 1  -16    3   21 o  895.408   49.438  1665.15  172.748   0.0000   0.0000  1665.15  172.748  ?   ?   895.408   49.438      ?      ? 
1 1 1  -16    3   22 o  231.873   20.881  107.766   18.873  101.492   26.567  114.158   26.815  224.903   30.270  238.842   28.770 -13.93945 41.76112 
1 1 1  -16    3   23 f  303.497   20.191  184.971   23.905  186.792   33.478  183.077   34.145  305.153   28.113  301.842   28.988 3.310608 40.38158 
1 1 1  -16    3   24 o  355.452   20.009  253.726   27.508  301.283   39.998  211.049   37.891  387.681   26.438  323.223   30.040 64.45837 40.01721 
1 1 1  -16    3   25 o  274.793   21.631  153.061   23.176  160.932   32.925  145.333   32.628  282.018   29.917  267.567   31.249 14.45020 43.26112 
1 1 1  -16    3   26 o  347.720   21.478  245.489   29.128  241.314   40.416  250.002   42.018  344.797   30.037  350.643   30.707 -5.846283 42.95509 
1 1 1  -16    3   27 o  209.085   26.727   93.455   21.124   77.733   30.035  108.846   29.717  188.260   41.955  229.910   33.122 -41.64969 53.45327 
1 1 1  -16    3   28 o  110.999   37.187 -29.0943   35.368 -26.3701   39.947 -38.9755   76.079   94.647   44.130  127.352   59.868 -32.70541 74.37498 
1 1 1  -16    3   29 o  351.998   22.494  258.184   30.864  267.327   43.257  248.704   44.051  358.991   30.878  345.006   32.719 13.98499 44.98832 
1 1 1  -16    3   30 o  446.022   22.229  414.182   38.618  404.986   52.788  424.771   56.642  441.417   30.645  450.628   32.210 -9.210419 44.45890 
1 1 1  -16    3   31 o   98.835   28.879   11.228   17.759   6.5926   29.520   13.857   22.232   99.951   42.707   97.718   38.886 2.232933 57.75840 
1 1 1  -16    3   32 o  138.628   35.077   43.456   23.695   32.021   43.004   48.441   28.395  132.428   53.602  144.829   45.261 -12.40134 70.15466 
1 1 1  -16    4    1 o  832.448   22.827  1365.91   74.146  1395.31  105.774  1337.50  103.965  841.271   32.219  823.625   32.346 17.64606 45.65461 
1 1 1  -16    4    2 o  308.846   16.224  186.749   19.536  177.832   26.967  196.598   28.341  301.102   22.951  316.591   22.939 -15.48929 32.44891 
1 1 1  -16    4    3 o  526.170   26.482  538.654   53.870  651.229   82.004  453.194   71.448  573.889   36.616  478.452   38.267 95.43671 52.96324 
1 1 1  -16    4    4 o  350.319   20.674  243.318   26.881  235.491   45.300  247.572   33.397  345.462   33.602  355.177   24.095 -9.714233 41.34847 
1 1 1  -16    4    5 o  463.913   21.943  421.726   37.433  430.682   65.176  417.318   45.727  466.841   35.776  460.984   25.419 5.857422 43.88630 
1 1 1  -16    4    6 o  433.852   21.250  369.446   34.066  367.022   41.859  374.202   58.622  432.371   24.809  435.332   34.507 -2.960449 42.49967 
1 1 1  -16    4    7 o  481.801   18.103  455.879   34.031  452.078   47.656  459.835   48.613  479.770   25.454  483.832   25.747 -4.061829 36.20509 
1 1 1  -16    4    8 o  410.725   24.417  331.186   39.136   0.0000   0.0000  331.186   39.136  ?   ?   410.725   24.417      ?      ? 
1 1 1  -16    4    9 o  181.091   24.906   66.939   17.098   58.189   25.306   74.289   23.194  168.024   39.295  194.158   30.611 -26.13428 49.81123 
1 1 1  -16    4   10 o  398.297   17.356  311.185   26.958  300.310   37.293  323.089   39.015  391.029   24.439  405.565   24.651 -14.53607 34.71231 
1 1 1  -16    4   11 o  894.636   23.981  1582.24   83.720  1598.92  118.415  1565.58  118.382  899.408   33.738  889.864   34.090 9.544739 47.96222 
1 1 1  -16    4   12 o  404.978   17.395  322.385   27.483  328.753   38.707  315.910   39.030  409.053   24.248  400.903   24.947 8.150330 34.79007 
1 1 1  -16    4   13 o  839.029   22.995  1390.94   75.274  1373.33  105.125  1409.47  107.835  833.648   32.314  844.411   32.724 -10.76276 45.99011 
1 1 1  -16    4   14 o  460.833   18.325  417.781   32.944  414.199   45.949  421.569   47.259  458.839   25.661  462.828   26.166 -3.988403 36.64930 
1 1 1  -16    4   15 o  355.197   17.911  248.343   24.811  251.838   34.634  244.659   35.561  357.825   24.803  352.568   25.846 5.257324 35.82187 
1 1 1  -16    4   16 o  514.790   27.661  526.499   55.339  511.495   74.514  544.954   82.638  507.029   37.659  522.552   40.525 -15.52350 55.32153 
1 1 1  -16    4   17 o  116.876   24.013   27.484   11.674   32.257   16.808   23.036   16.226  125.359   33.652  108.394   34.264 16.96492 48.02577 
1 1 1  -16    4   18 o  344.518   18.577  234.994   24.865  260.503   35.186  209.550   35.142  363.465   24.807  325.571   27.660 37.89386 37.15456 
1 1 1  -16    4   19 o  579.495   19.966  664.354   45.094  639.200   61.891  692.816   65.836  567.927   27.926  591.063   28.543 -23.13580 39.93180 
1 1 1  -16    4   20 o   80.026   21.343   6.8424   10.363 -12.8723   17.327   17.822   12.931   64.535   29.731   95.517   30.629 -30.98108 42.68632 
1 1 1  -16    4   21 o  202.175   28.964   88.379   21.909   68.664   34.207  102.090   28.528  178.849   48.007  225.501   32.418 -46.65253 57.92708 
1 1 1  -16    4   22 o  368.415   19.689  271.034   28.262  264.672   38.716  278.293   41.351  363.980   27.257  372.849   28.420 -8.869385 39.37849 
1 1 1  -16    4   23 o  259.713   21.514  135.801   21.662  116.045   29.916  157.577   31.408  239.435   32.017  279.991   28.745 -40.55588 43.02778 
1 1 1  -16    4   24 o  136.630   27.279   38.672   15.106   47.755   23.364   32.148   19.802  149.189   39.507  124.071   37.626 25.11856 54.55701 
1 1 1  -16    4   25 o  164.667   27.809   58.162   17.532   60.348   26.439   56.446   23.421  166.994   40.896  162.339   37.694 4.654663 55.61779 
1 1 1  -16    4   26 f  329.940   21.982  221.726   28.290  220.037   39.355  223.531   40.695  328.827   30.669  331.053   31.500 -2.226349 43.96430 
1 1 1  -16    4   27 o  235.336   48.799  147.546   46.800  159.530   53.612  109.175   95.934  263.397   53.972  207.275   81.316 56.12201 97.59730 
1 1 1  -16    4   28 o  386.243   35.620  255.594   38.667  224.206   41.300  478.437  110.044  328.784   32.189  443.702   63.554 -114.9177 71.24065 
1 1 1  -16    4   29 o  109.063   29.034   19.022   16.103   32.104   27.970   12.536   19.694  124.973   44.960   93.153   36.748 31.81965 58.06757 
1 1 1  -16    4   30 o  397.544   22.544  329.740   34.660  388.656   50.186  276.013   47.925  433.210   29.686  361.878   33.937 71.33197 45.08856 
1 1 1  -16    4   31 o  141.101   30.899   35.980   19.407   76.741   33.391   15.186   23.849  181.092   46.882  101.110   40.263 79.98222 61.79881 
1 1 1  -16    4   32 o  308.459   38.438  207.135   46.268   0.0000   0.0000  207.135   46.268  ?   ?   308.459   38.438      ?      ? 
1 1 1  -16    5    1 o  515.448   22.112  525.202   42.509  529.478   52.981  517.474   71.220  519.152   26.151  511.743   35.663 7.409607 44.22393 
1 1 1  -16    5    2 o  616.303   24.490  761.819   55.564  787.811   68.770  712.949   94.298  632.974   27.841  599.632   40.298 33.34143 48.98028 
1 1 1  -16    5    3 o  390.076   20.856  299.835   30.276  298.246   51.097  300.694   37.584  388.768   33.680  391.383   24.608 -2.615417 41.71184 
1 1 1  -16    5    4 o  386.030   20.807  300.380   30.030  266.177   48.515  321.624   38.235  367.248   33.852  404.813   24.203 -37.56509 41.61436 
1 1 1  -16    5    5 o  255.254   15.415  128.259   15.230  148.132   21.665  108.839   21.416  274.970   20.190  235.537   23.299 39.43315 30.82980 
1 1 1  -16    5    6 o  311.243   17.261  190.211   20.945  191.341   29.041  188.986   30.237  312.250   23.833  310.235   24.975 2.014862 34.52180 
1 1 1  -16    5    7 o  651.131   20.147  833.380   51.163  811.338   70.879  857.361   73.929  642.189   28.283  660.072   28.701 -17.88232 40.29442 
1 1 1  -16    5    8 o  776.329   31.172  1188.07   94.436   0.0000   0.0000  1188.07   94.436  ?   ?   776.329   31.172      ?      ? 
1 1 1  -16    5    9 f  260.436   19.424  129.536   18.978  120.180   23.424  147.411   32.378  247.384   24.264  273.488   30.338 -26.10419 38.84734 
1 1 1  -16    5   10 o  412.328   17.779  334.408   28.576  350.495   40.272  318.096   40.554  422.406   24.431  402.250   25.835 20.15540 35.55729 
1 1 1  -16    5   11 f  240.008   17.613  112.585   16.450  102.901   22.358  124.013   24.289  228.810   25.040  251.207   24.777 -22.39722 35.22596 
1 1 1  -16    5   12 o  690.525   20.908  940.197   56.339  947.987   79.716  932.423   79.636  693.409   29.459  687.641   29.677 5.768372 41.81578 
1 1 1  -16    5   13 o  1131.14   28.002  2540.39  123.430  2459.96  169.216  2631.84  180.438  1112.37   38.982  1149.90   40.210 -37.52429 56.00384 
1 1 1  -16    5   14 o  168.768   19.758   57.474   12.529   69.172   17.817   46.030   17.622  187.574   24.340  149.963   31.130 37.61125 39.51636 
1 1 1  -16    5   15 o  560.341   24.723  622.573   49.839  622.421   59.894  622.913   89.868  561.992   27.310  558.690   41.220 3.302124 49.44571 
1 1 1  -16    5   16 o  172.835   31.269   45.929   19.861   26.780   22.799  106.193   40.446  119.959   40.766  225.711   47.426 -105.7529 62.53860 
1 1 1  -16    5   17 o  454.675   18.889  408.257   33.487  417.550   46.772  398.484   47.965  460.113   26.049  449.237   27.360 10.87579 37.77732 
1 1 1  -16    5   18 o  343.705   18.837  234.061   25.195  251.138   35.370  216.470   35.899  356.661   25.413  330.748   27.813 25.91278 37.67446 
1 1 1  -16    5   19 o  152.070   23.881   47.652   13.775   52.362   20.404   43.707   18.674  159.008   33.917  145.132   33.630 13.87593 47.76295 
1 1 1  -16    5   20 o  374.237   25.985  283.969   37.695  264.403   55.289  300.964   51.528  361.283   39.215  387.192   34.102 -25.90933 51.96940 
1 1 1  -16    5   21 o  377.832   24.434  294.708   34.448  263.057   55.834  314.161   43.772  358.986   39.855  396.678   28.277 -37.69232 48.86754 
1 1 1  -16    5   22 o  161.001   25.650   55.639   15.825   43.042   23.097   66.785   21.726  142.562   39.928  179.440   32.210 -36.87752 51.30031 
1 1 1  -16    5   23 o  228.868   22.692  106.467   20.087  123.855   28.693   89.756   28.129  247.871   29.664  209.865   34.347 38.00586 45.38309 
1 1 1  -16    5   24 o  250.396   21.751  127.372   21.163  114.700   30.010  139.908   29.848  237.472   32.383  263.320   29.047 -25.84863 43.50186 
1 1 1  -16    5   25 o  252.102   24.209  130.433   23.495  104.911   32.600  158.018   33.892  225.350   37.070  278.853   31.146 -53.50328 48.41763 
1 1 1  -16    5   26 f  357.432   22.113  260.265   30.813  249.580   42.419  272.201   44.833  349.779   31.077  365.085   31.468 -15.30682 44.22682 
1 1 1  -16    5   27 o  195.750   49.274   89.576   41.178   88.390   45.368   95.123   98.109  193.226   56.557  198.274   80.703 -5.048233 98.54762 
1 1 1  -16    5   28 o  594.644   22.428  726.143   51.684  673.780   68.370  795.965   78.950  571.017   30.682  618.272   32.722 -47.25500 44.85683 
1 1 1  -16    5   29 o  209.484   28.108   96.174   21.999  104.804   33.456   89.602   29.198  217.126   40.987  201.842   38.474 15.28450 56.21561 
1 1 1  -16    5   30 o  130.939   40.186   21.460   28.332   23.083   30.197   9.5319   81.878  116.145   45.604  145.733   66.181 -29.58781 80.37167 
1 1 1  -16    5   31 o  225.997   30.259  111.335   25.910  139.058   40.475   92.086   33.726  251.707   41.206  200.286   44.323 51.42130 60.51839 
1 1 1  -16    5   32 o  211.503   40.822  101.088   32.473   0.0000   0.0000  101.088   32.473  ?   ?   211.503   40.822      ?      ? 
1 1 1  -16    6    1 o  609.034   24.400  671.305   51.446  608.394   59.087  868.468  104.602  556.334   27.216  661.734   40.506 -105.4008 48.80029 
1 1 1  -16    6    2 o  739.416   25.789  1014.38   67.886  928.205   79.506  1246.26  130.419  686.688   29.669  792.145   42.190 -105.4571 51.57738 
1 1 1  -16    6    3 o  364.761   24.337  261.106   34.524  243.641   46.531  282.495   51.494  351.334   33.938  378.188   34.891 -26.85434 48.67435 
1 1 1  -16    6    4 o  493.100   22.242  475.236   40.442  467.270   49.467  491.291   70.229  487.698   25.992  498.503   36.101 -10.80487 44.48438 
1 1 1  -16    6    5 o  755.790   25.870  1131.65   72.225  1135.55   88.965  1124.09  123.700  759.377   30.021  752.203   42.141 7.173340 51.74099 
1 1 1  -16    6    6 o  744.746   21.561  1090.58   62.600  1144.44   90.973  1042.15   86.272  762.154   30.587  727.337   30.395 34.81696 43.12110 
1 1 1  -16    6    7 o  459.185   22.346  417.755   38.053  409.326   64.432  422.270   47.155  454.839   36.300  463.531   26.069 -8.691254 44.69118 
1 1 1  -16    6    8 o  443.921   21.378  388.058   35.137  387.400   43.321  389.323   60.069  444.066   24.999  443.775   34.686 0.2919312 42.75586 
1 1 1  -16    6    9 f  295.816   16.759  172.480   19.268  186.701   26.927  157.557   27.584  308.461   22.369  283.171   24.961 25.29080 33.51807 
1 1 1  -16    6   10 o  275.361   17.605  149.952   18.796  164.030   26.066  134.702   27.129  289.047   23.108  261.675   26.567 27.37106 35.21057 
1 1 1  -16    6   11 o  637.174   20.096  799.614   49.961  819.605   71.265  780.293   70.062  645.026   28.312  629.321   28.528 15.70532 40.19220 
1 1 1  -16    6   12 o  249.042   20.436  125.725   19.093  107.759   30.245  137.628   24.617  233.424   33.203  264.659   23.835 -31.23497 40.87260 
1 1 1  -16    6   13 o  686.864   21.069  930.330   56.426  918.054   77.998  943.807   81.729  682.240   29.297  691.487   30.287 -9.247681 42.13787 
1 1 1  -16    6   14 o  960.759   25.146  1826.79   94.107  1765.14  128.511  1898.08  138.192  943.611   34.899  977.908   36.212 -34.29718 50.29179 
1 1 1  -16    6   15 o  312.872   32.689  212.715   35.992  253.057   46.381  151.647   57.064  357.387   33.256  268.358   56.287 89.02921 65.37742 
1 1 1  -16    6   16 o  228.072   18.663  102.625   16.594  104.120   23.073  101.024   23.884  229.852   25.723  226.291   27.046 3.561264 37.32507 
1 1 1  -16    6   17 o  383.190   18.657  289.960   27.859  291.017   38.423  288.789   40.452  384.051   25.637  382.328   27.112 1.723083 37.31409 
1 1 1  -16    6   18 o  368.292   18.993  269.078   27.225  282.030   37.797  255.112   39.248  377.754   25.640  358.829   28.028 18.92535 37.98667 
1 1 1  -16    6   19 o  730.043   21.994  1062.11   62.611  1044.04   86.609  1081.90   90.618  723.763   30.664  736.322   31.537 -12.55853 43.98701 
1 1 1  -16    6   20 o  413.544   25.922  340.487   41.417  382.178   64.331  310.972   54.127  434.329   37.955  392.758   35.315 41.57104 51.84354 
1 1 1  -16    6   21 o  330.270   19.604  217.975   25.229  219.410   34.817  216.388   36.609  331.639   26.903  328.901   28.523 2.738342 39.20855 
1 1 1  -16    6   22 o   99.238   24.119   17.966   12.248   1.5646   20.111   27.637   15.443   83.201   35.392  115.276   32.776 -32.07459 48.23741 
1 1 1  -16    6   23 o  108.896   26.221   21.970   12.969   28.101   21.484   18.455   16.267  118.616   39.576   99.177   34.408 19.43919 52.44210 
1 1 1  -16    6   24 o  139.497   26.948   38.361   15.005   57.636   24.680   27.058   18.900  163.739   39.154  115.254   37.038 48.48492 53.89654 
1 1 1  -16    6   25 o  435.906   21.148  384.961   35.931  377.679   49.430  393.119   52.321  431.856   29.330  439.956   30.475 -8.100739 42.29626 
1 1 1  -16    6   26 o  153.546   28.715   54.574   19.224   20.929   30.483   76.791   24.771  116.725   45.823  190.367   34.620 -73.64187 57.43042 
1 1 1  -16    6   27 o  150.581   43.227   42.466   37.253   57.843   39.841 -64.5256  105.090  159.723   53.891  141.439   67.602 18.28375 86.45355 
1 1 1  -16    6   28 o  171.896   29.303   65.923   19.082   67.390   30.637   64.994   24.390  171.684   45.133  172.109   37.385 -0.4246979 58.60547 
1 1 1  -16    6   29 o  177.672   30.390   73.399   20.893   60.274   32.203   82.939   27.455  160.914   47.799  194.431   37.544 -33.51675 60.78088 
1 1 1  -16    6   30 o  134.217   37.168   34.837   30.218   54.441   32.292 -103.2629   85.706  153.121   48.330  115.312   56.480 37.80919 74.33540 
1 1 1  -16    6   31 o  139.200   37.020   22.975   20.177   87.310   55.154   13.034   21.680  182.572   63.356   95.828   38.314 86.74442 74.04015 
1 1 1  -16    7    1 o  686.914   26.212  950.438   66.499  989.813   82.766  878.729  111.695  709.007   29.914  664.821   43.052 44.18555 52.42453 
1 1 1  -16    7    2 o  389.240   23.292  294.046   34.984  268.214   45.527  331.293   54.669  368.872   31.627  409.608   34.201 -40.73566 46.58321 
1 1 1  -16    7    3 o  661.973   24.345  883.753   60.751  948.200   78.295  786.250   96.304  694.123   28.905  629.823   39.183 64.29993 48.69033 
1 1 1  -16    7    4 o  739.180   41.231  1085.00  118.934   0.0000   0.0000  1085.00  118.934  ?   ?   739.180   41.231      ?      ? 
1 1 1  -16    7    5 o  537.778   22.858  577.656   45.739  595.540   57.212  545.980   76.141  550.402   26.636  525.154   37.154 25.24725 45.71528 
1 1 1  -16    7    6 o  443.837   24.989  388.667   43.219  361.407   59.668  418.756   62.687  427.429   35.772  460.245   34.903 -32.81586 49.97821 
1 1 1  -16    7    7 o  243.397   35.521  191.940   25.248  215.334   26.668 -10.4423   78.436  331.426   20.619  155.369   67.984 176.0570 71.04231 
1 1 1  -16    7    8 o  378.123   23.645  299.547   31.243  326.124   37.753  241.782   55.657  407.527   23.739  348.720   40.899 58.80640 47.28915 
1 1 1  -16    7    9 f  214.954   18.187   90.965   15.196   92.233   20.677   89.477   22.408  216.663   24.455  213.244   26.927 3.419220 36.37481 
1 1 1  -16    7   10 o  209.359   18.843   86.495   15.290   88.537   20.603   83.991   22.811  212.232   24.876  206.487   28.309 5.744614 37.68576 
1 1 1  -16    7   11 o  532.268   19.048  557.871   39.553  565.279   55.485  550.218   56.398  535.932   26.530  528.604   27.340 7.328186 38.09631 
1 1 1  -16    7   12 o  439.932   18.541  381.334   31.794  394.369   44.448  367.677   45.499  447.751   25.438  432.114   26.982 15.63647 37.08238 
1 1 1  -16    7   13 o  142.855   19.781   41.285   10.744   55.341   15.541   28.419   14.869  167.798   23.734  117.911   31.651 49.88767 39.56147 
1 1 1  -16    7   14 f  139.014   32.603   31.991   14.608   30.946   15.444   40.867   45.008  122.821   31.928  155.208   56.854 -32.38696 65.20575 
1 1 1  -16    7   15 f  217.273   21.205   92.636   17.644   96.881   28.035   89.851   22.704  221.117   32.489  213.428   27.259 7.689255 42.41019 
1 1 1  -16    7   16 o  594.313   20.276  698.640   47.008  711.310   66.028  685.618   66.940  599.907   28.204  588.720   29.137 11.18683 40.55173 
1 1 1  -16    7   17 o  117.549   23.998   28.175   11.596   27.448   17.266   28.773   15.650  116.648   35.080  118.450   32.757 -1.800926 47.99579 
1 1 1  -16    7   18 o  125.948   23.872   32.989   12.001   29.298   17.794   36.070   16.255  119.936   35.509  131.961   31.915 -12.02496 47.74363 
1 1 1  -16    7   19 f  363.569   26.889  270.478   37.511  243.902   56.635  291.249   50.068  346.100   41.933  381.038   33.671 -34.93823 53.77811 
1 1 1  -16    7   20 o  466.022   26.851  437.715   48.443  469.581   74.225  414.069   63.937  479.843   39.639  452.201   36.232 27.64188 53.70264 
1 1 1  -16    7   21 o  107.946   22.048   15.378   10.611   46.155   19.045   1.5247   12.777  148.263   33.683   67.629   28.461 80.63393 44.09697 
1 1 1  -16    7   22 o  167.581   25.212   59.441   15.923   57.906   23.663   60.711   21.526  164.975   37.594  170.187   33.604 -5.212723 50.42361 
1 1 1  -16    7   23 o  201.375   23.070   82.908   17.621   97.114   26.069   70.955   23.911  219.051   30.496  183.699   34.625 35.35239 46.13993 
1 1 1  -16    7   24 o  310.236   21.060  194.510   25.411  217.097   36.686  173.680   35.230  327.933   28.667  292.538   30.860 35.39478 42.12063 
1 1 1  -16    7   25 o  401.760   21.970  329.547   34.361  343.168   47.686  314.836   49.557  411.136   29.722  392.384   32.364 18.75272 43.94069 
1 1 1  -16    7   26 o  383.440   47.685  348.746   57.970  343.044   66.240  367.397  119.810  401.030   42.326  365.850   85.462 35.17932 95.36918 
1 1 1  -16    7   27 o  327.581   22.375  222.086   28.598  224.399   40.268  219.733   40.624  329.494   31.317  325.669   31.965 3.824371 44.74900 
1 1 1  -16    7   28 o  185.656   29.360   81.502   21.579   47.082   33.058  107.059   28.486  144.795   49.088  226.516   32.225 -81.72183 58.72062 
1 1 1  -16    7   29 o  183.362   29.234   70.704   19.871   98.456   33.628   55.815   24.632  209.024   42.671  157.701   39.972 51.32242 58.46860 
1 1 1  -16    7   30 o  175.280   50.494   73.430   36.421   73.430   36.421   0.0000   0.0000  175.280   50.494  ?   ?       ?      ? 
1 1 1  -16    7   31 f  107.030   31.367   16.761   19.415 -54.9228   58.060   25.786   20.601  102.615   49.360  111.445   38.718 -8.829948 62.73396 
1 1 1  -16    8    1 o  665.320   29.380  880.087   76.220  898.880  106.453  860.318  109.181  672.900   40.539  657.740   42.536 15.15991 58.76030 
1 1 1  -16    8    2 o  601.975   23.558  703.967   52.292  681.402   63.746  750.393   91.436  588.539   27.755  615.410   38.073 -26.87079 47.11622 
1 1 1  -16    8    3 o  787.248   26.628  1189.19   76.174  1126.51   91.203  1333.76  138.517  755.955   30.916  818.540   43.364 -62.58521 53.25639 
1 1 1  -16    8    4 o  263.875   48.387  143.382   47.991   0.0000   0.0000  143.382   47.991  ?   ?   263.875   48.387      ?      ? 
1 1 1  -16    8    5 f  152.189   34.120   45.032   22.367   41.701   28.759   50.132   35.583  145.119   45.582  159.258   50.783 -14.13892 68.23965 
1 1 1  -16    8    6 f  434.134   52.195  452.127   45.455  463.885   47.585  329.558  153.636  485.866   25.097  382.401  101.329 103.4650 104.3904 
1 1 1  -16    8    7 o  756.294   30.623  1128.10   90.380  1128.10   90.380   0.0000   0.0000  756.294   30.623  ?   ?       ?      ? 
1 1 1  -16    8    8 o  471.847   22.988  432.517   39.214  420.831   46.996  459.303   71.149  462.569   26.034  481.125   37.895 -18.55560 45.97623 
1 1 1  -16    8    9 o  487.390   23.767  483.012   41.866  507.819   51.220  433.078   72.668  508.117   25.831  466.663   39.903 41.45435 47.53465 
1 1 1  -16    8   10 o  208.130   31.151  105.330   20.432  117.638   22.885   56.967   45.364  244.676   23.967  171.585   57.507 73.09018 62.30143 
1 1 1  -16    8   11 o  710.753   25.795  967.014   66.225  913.162   78.852  1095.94  122.007  680.330   29.700  741.176   42.182 -60.84631 51.58941 
1 1 1  -16    8   12 o  401.592   24.694  281.029   32.249  253.877   35.929  393.556   73.143  359.183   25.633  444.002   42.214 -84.81866 49.38728 
1 1 1  -16    8   13 o  557.215   27.271  651.709   53.595  708.431   65.155  533.023   94.248  599.405   27.854  515.026   46.893 84.37970 54.54211 
1 1 1  -16    8   14 o  259.529   37.739  143.814   31.415  147.630   35.560  130.247   67.051  272.868   33.394  246.190   67.688 26.67767 75.47770 
1 1 1  -16    8   15 o  155.825   22.546   49.836   13.248   49.812   18.730   49.860   18.741  155.787   31.882  155.863   31.887 -0.7571411E-01 45.09143 
1 1 1  -16    8   16 o  208.080   20.181   86.079   16.310   93.698   22.785   78.072   23.358  217.740   26.815  198.421   30.166 19.31828 40.36125 
1 1 1  -16    8   17 o  153.106   22.589   48.123   13.066   56.979   19.059   40.271   17.946  166.851   30.390  139.360   33.429 27.49097 45.17793 
1 1 1  -16    8   18 o  690.953   21.813  950.617   58.673  927.773   79.857  977.413   86.490  682.365   29.989  699.540   31.683 -17.17493 43.62520 
1 1 1  -16    8   19 o  556.680   38.214  628.700   83.015   0.0000   0.0000  628.700   83.015  ?   ?   556.680   38.214      ?      ? 
1 1 1  -16    8   20 o  218.882   21.990   96.209   18.729   86.720   26.031  106.394   26.968  207.482   32.150  230.282   30.010 -22.80022 43.97984 
1 1 1  -16    8   21 o  280.510   20.884  158.889   22.764  168.406   31.474  148.450   32.963  289.825   27.828  271.196   31.147 18.62900 41.76715 
1 1 1  -16    8   22 o  301.876   21.037  183.928   24.716  183.873   33.758  183.992   36.288  302.200   28.625  301.552   30.837 0.6482239 42.07476 
1 1 1  -16    8   23 o  118.641   25.252   29.277   14.352   4.7643   22.863   45.219   18.437   90.987   38.168  146.294   33.072 -55.30713 50.50348 
1 1 1  -16    8   24 o  296.506   22.555  179.133   26.094  181.108   37.307  177.241   36.512  298.035   32.076  294.977   31.719 3.058380 45.11057 
1 1 1  -16    8   25 o  425.941   22.240  371.513   36.808  412.559   52.346  331.367   51.768  450.252   29.791  401.629   33.030 48.62228 44.48040 
1 1 1  -16    8   26 o  466.170   41.994  471.933   65.148  439.243   74.192  582.031  136.155  452.629   42.003  479.711   72.731 -27.08255 83.98867 
1 1 1  -16    8   27 o  101.740   25.812   18.908   14.547 -11.1464   27.327   30.792   17.184   83.966   38.170  119.515   34.758 -35.54877 51.62428 
1 1 1  -16    8   28 o  324.097   23.089  218.926   29.077  248.508   42.509  192.917   39.860  345.318   31.545  302.876   33.724 42.44208 46.17777 
1 1 1  -16    8   29 o  101.412   28.175   14.827   14.552   21.902   29.054   12.458   16.813  113.902   44.729   88.922   34.274 24.98003 56.35068 
1 1 1  -16    8   30 o   64.974   22.023 -14.0686   12.382 -52.1707   32.671  -7.6781   13.380   72.079   35.212   57.869   26.462 14.21015 44.04699 
1 1 1  -16    8   31 o  207.375   38.794  111.337   28.440   92.887   68.550  115.174   31.257  182.601   69.493  232.149   34.503 -49.54865 77.58710 
1 1 1  -16    9    1 o  595.684   29.192  693.138   67.180  620.088   87.761  796.529  104.408  558.715   40.251  632.652   42.290 -73.93726 58.38316 
1 1 1  -16    9    2 o  566.113   23.148  570.996   46.329  497.878   53.679  784.510   91.729  503.037   27.345  629.188   37.359 -126.1517 46.29695 
1 1 1  -16    9    3 o  528.907   26.721  554.300   55.130  565.867   79.366  543.515   76.637  534.172   38.073  523.641   37.504 10.53101 53.44230 
1 1 1  -16    9    4 o  370.315   37.581  271.889   54.309   0.0000   0.0000  271.889   54.309  ?   ?   370.315   37.581      ?      ? 
1 1 1  -16    9    5 o  295.799   43.246  204.460   28.786  210.047   30.181  148.204   95.772  327.044   23.648  264.554   83.197 62.49002 86.49223 
1 1 1  -16    9    6 o  358.856   44.264  236.632   32.619  231.114   33.869  307.285  121.197  342.872   25.312  374.840   84.833 -31.96817 88.52843 
1 1 1  -16    9    7 o  401.346   44.485  283.704   36.464  274.850   37.820  400.596  137.414  373.814   25.926  428.878   85.108 -55.06424 88.96912 
1 1 1  -16    9    8 o  152.626   29.531   37.917   12.874   34.784   13.670   62.490   38.284  130.481   27.703  174.770   52.163 -44.28889 59.06279 
1 1 1  -16    9    9 o  524.302   25.598  530.482   46.291  514.440   53.699  576.887   91.332  511.170   26.920  537.435   43.548 -26.26471 51.19665 
1 1 1  -16    9   10 o  679.053   26.425  840.643   61.360  768.695   70.092  1076.64  126.945  624.389   28.766  733.718   44.336 -109.3289 52.85022 
1 1 1  -16    9   11 o  514.950   25.663  543.117   47.059  570.904   56.932  483.184   83.612  538.339   27.100  491.561   43.587 46.77744 51.32514 
1 1 1  -16    9   12 o  805.134   27.708  1278.61   81.556  1255.22   98.942  1328.19  144.047  796.572   31.829  813.695   45.364 -17.12280 55.41639 
1 1 1  -16    9   13 o  588.823   31.022  703.763   70.343  796.705   96.956  600.470  102.213  631.947   39.315  545.699   47.998 86.24768 62.04406 
1 1 1  -16    9   14 o  505.727   25.881  487.881   44.690  466.053   51.405  555.441   90.435  485.917   27.109  525.537   44.096 -39.61942 51.76263 
1 1 1  -16    9   15 o  368.575   29.809  268.794   34.165  265.801   38.112  281.041   77.092  366.802   26.626  370.348   53.342 -3.546387 59.61798 
1 1 1  -16    9   16 o  251.626   40.343  158.093   29.049  168.651   31.198   89.270   79.655  291.815   27.396  211.437   75.893 80.37833 80.68678 
1 1 1  -16    9   17 o  398.653   19.583  314.137   30.323  302.036   40.648  329.322   45.533  390.279   26.689  407.027   28.666 -16.74756 39.16674 
1 1 1  -16    9   18 o  376.571   27.334  289.152   39.255  279.047   61.765  296.000   50.845  369.400   42.846  383.742   33.953 -14.34235 54.66811 
1 1 1  -16    9   19 o  208.594   21.641   87.400   17.584   93.190   24.840   81.584   24.895  215.729   29.506  201.458   31.666 14.27051 43.28204 
1 1 1  -16    9   20 o  543.088   31.221  594.693   66.169   0.0000   0.0000  594.693   66.169  ?   ?   543.088   31.221      ?      ? 
1 1 1  -16    9   21 o  228.003   21.552  104.970   19.173  103.508   26.840  106.493   27.399  226.408   30.379  229.598   30.580 -3.190674 43.10413 
1 1 1  -16    9   22 o  264.089   21.638  141.171   22.266  140.260   30.629  142.191   32.426  263.436   29.794  264.742   31.386 -1.306000 43.27547 
1 1 1  -16    9   23 f  318.752   22.687  208.280   28.005  226.602   38.619  187.957   40.672  334.641   29.572  302.862   34.413 31.77936 45.37380 
1 1 1  -16    9   24 o  196.402   27.532   82.659   20.394   76.602   31.357   87.099   26.848  186.747   43.787  206.057   33.388 -19.31001 55.06454 
1 1 1  -16    9   25 o  312.379   51.083  210.155   46.404  193.633   50.081  310.429  123.379  301.107   42.621  323.650   92.850 -22.54279 102.1651 
1 1 1  -16    9   26 o  124.810   27.050   34.561   16.681   0.6313   28.837   51.626   20.451   95.181   41.446  154.439   34.770 -59.25812 54.09928 
1 1 1  -16    9   27 o  167.647   28.910   65.886   19.379   43.485   31.632   79.345   24.519  140.253   48.016  195.042   32.213 -54.78851 57.82070 
1 1 1  -16    9   28 o  273.958   27.557  164.596   27.827  121.711   38.946  209.324   39.774  231.581   44.714  316.336   32.219 -84.75528 55.11315 
1 1 1  -16    9   29 f  561.039   26.005  659.849   54.969  622.104   68.589  727.617   91.905  544.763   32.264  577.315   40.794 -32.55176 52.01066 
1 1 1  -16    9   30 o  219.743   39.591  121.346   29.710  113.044   69.622  123.195   32.852  199.190   71.011  240.297   35.033 -41.10626 79.18217 
1 1 1  -16   10    1 o  327.602   29.634  213.947   35.693  214.445   43.760  212.957   61.693  329.292   34.054  325.911   48.507 3.380707 59.26723 
1 1 1  -16   10    2 o  342.899   27.032  233.305   36.099  232.497   49.475  234.225   52.788  342.444   37.023  343.354   39.397 -0.9103088 54.06313 
1 1 1  -16   10    3 o  427.078   29.380  333.771   45.825  203.954   57.174  566.963   76.628  319.356   45.877  534.799   36.717 -215.4435 58.76076 
1 1 1  -16   10    4 f  553.079  112.985  703.760  235.619   0.0000   0.0000  703.760  235.619  ?   ?   553.079  112.985      ?      ? 
1 1 1  -16   10    5 o  408.140   25.318  327.545   40.325  327.545   40.325   0.0000   0.0000  408.140   25.318  ?   ?       ?      ? 
1 1 1  -16   10    6 o  220.165   28.579   88.702   19.320   82.654   21.390  115.487   45.016  204.921   26.748  235.408   50.514 -30.48691 57.15887 
1 1 1  -16   10    7 o  446.895   24.579  387.229   37.458  378.671   43.260  412.867   74.876  438.797   25.263  454.993   42.170 -16.19614 49.15831 
1 1 1  -16   10    8 o  517.694   24.438  487.429   43.187  446.332   49.292  623.188   89.588  476.164   26.527  559.224   41.052 -83.05984 48.87663 
1 1 1  -16   10    9 o  283.439   26.408  134.679   23.098  121.207   25.255  203.603   57.124  248.152   26.079  318.725   45.927 -70.57246 52.81525 
1 1 1  -16   10   10 o  273.311   33.539  161.724   26.323  166.954   29.165  138.743   61.138  291.242   25.661  255.379   61.976 35.86349 67.07794 
1 1 1  -16   10   11 o  438.488   26.342  378.776   45.076  378.776   45.076   0.0000   0.0000  438.488   26.342  ?   ?       ?      ? 
1 1 1  -16   10   13 o  377.919   28.543  261.616   33.745  246.616   37.329  328.673   78.927  353.455   27.064  402.383   50.264 -48.92834 57.08647 
1 1 1  -16   10   14 o  223.688   37.917  132.358   26.598  145.900   28.440   37.878   75.120  271.722   26.821  175.653   70.933 96.06891 75.83423 
1 1 1  -16   10   15 o  403.327   31.417  300.518   37.274  286.188   40.592  377.594   94.143  380.150   27.362  426.505   56.563 -46.35452 62.83334 
1 1 1  -16   10   16 o  346.031   42.150  264.948   51.255  283.972   63.113  228.093   87.842  373.665   43.282  318.396   72.342 55.26926 84.30086 
1 1 1  -16   10   17 o  238.915   58.866   93.083   43.814   83.211   45.868  196.002  148.097  195.820   56.740  282.012  103.158 -86.19206 117.7322 
1 1 1  -16   10   18 o  246.687   41.372  134.582   26.727  135.696   28.216  124.855   83.370  260.785   27.726  232.589   77.960 28.19644 82.74329 
1 1 1  -16   10   19 o  324.770   42.136  233.785   35.408  234.246   38.107  230.874   95.788  341.868   28.564  307.672   79.285 34.19659 84.27296 
1 1 1  -16   10   20 o  226.163   43.351  117.369   26.595  119.306   27.665   93.791   96.527  243.491   29.115  208.835   81.668 34.65553 86.70277 
1 1 1  -16   10   21 o  164.041   41.356   54.715   22.212   57.990   22.726 -15.2640  105.062  165.220   36.244  162.863   74.348 2.357605 82.71165 
1 1 1  -16   10   22 o  694.057   62.442  1092.31  169.124   0.0000   0.0000  1092.31  169.124  ?   ?   694.057   62.442      ?      ? 
1 1 1  -16   10   23 o  238.783   23.629  114.968   20.930  157.369   32.231   84.048   27.524  278.594   29.646  198.971   36.803 79.62317 47.25836 
1 1 1  -16   10   24 o  342.611   25.899  244.070   33.916  244.971   53.518  243.466   43.844  340.941   40.224  344.282   32.633 -3.341156 51.79708 
1 1 1  -16   10   25 o  434.396   48.684  473.943   53.200  480.012   57.710  439.605  137.271  483.241   30.602  385.551   92.434 97.69037 97.36857 
1 1 1  -16   10   26 o  193.137   28.547   83.119   20.535   79.601   32.052   85.569   26.746  187.212   44.523  199.062   35.743 -11.84955 57.09498 
1 1 1  -16   10   27 o  224.826   27.078  109.584   23.048  110.473   34.753  108.885   30.795  222.639   41.527  227.013   34.762 -4.373627 54.15605 
1 1 1  -16   10   28 o  399.747   23.515  336.444   36.512  374.264   51.940  299.498   51.336  423.531   31.426  375.963   34.990 47.56784 47.03086 
1 1 1  -16   10   29 o  447.779   35.997  478.088   58.765  407.788   95.908  520.345   74.358  405.679   60.581  489.878   38.896 -84.19846 71.99316 
1 1 1  -16   10   30 o  284.095   26.147  168.696   28.491  213.341   45.447  139.788   36.570  313.919   37.098  254.271   36.855 59.64867 52.29321 
1 1 1  -16   11    1 o  377.354   47.384  222.049   51.101  189.312   54.919  433.205  139.478  307.570   45.756  447.139   82.989 -139.5689 94.76734 
1 1 1  -16   11    2 o  676.196   68.026  1047.66  111.596  1066.84  120.013  925.135  303.334  731.538   42.040  620.854  129.395 110.6833 136.0524 
1 1 1  -16   11    3 o  497.517   55.280  607.509   75.271  658.054   84.019  401.985  169.423  575.788   37.392  419.246  104.046 156.5418 110.5608 
1 1 1  -16   11    4 o  909.924   49.202  1664.20  174.711   0.0000   0.0000  1664.20  174.711  ?   ?   909.924   49.202      ?      ? 
1 1 1  -16   11    5 o  260.622   30.137  139.310   22.684  140.133   25.071  135.598   53.261  267.021   24.060  254.222   55.263 12.79883 60.27344 
1 1 1  -16   11    6 o  511.152   25.167  476.199   43.652  437.888   49.703  605.433   91.287  471.549   27.010  550.756   42.474 -79.20743 50.33438 
1 1 1  -16   11    7 o  597.668   25.469  645.560   52.386  583.140   59.945  847.289  107.765  543.887   28.243  651.449   42.390 -107.5619 50.93710 
1 1 1  -16   11    8 o  176.703   36.145   43.201   15.457   39.441   15.997   96.130   60.015  138.689   30.396  214.717   65.589 -76.02832 72.28970 
1 1 1  -16   11    9 o  335.829   29.636  231.400   31.278  235.920   35.282  214.811   67.595  346.108   26.122  325.550   53.206 20.55777 59.27291 
1 1 1  -16   11   10 o  656.410   28.345  824.664   62.653  791.683   71.638  931.947  129.205  633.176   28.993  679.644   48.715 -46.46844 56.69023 
1 1 1  -16   11   11 o  157.075   36.179   54.615   21.621   62.857   22.489 -45.9959   78.572  175.059   34.146  139.092   63.795 35.96652 72.35812 
1 1 1  -16   11   12 o  854.260   29.903  1436.95   91.158  1395.38  108.195  1538.67  169.236  838.133   33.080  870.387   49.825 -32.25409 59.80648 
1 1 1  -16   11   13 o  246.138   39.307  158.665   28.816  173.474   31.076   67.784   76.983  296.230   26.882  196.045   73.874 100.1848 78.61339 
1 1 1  -16   11   14 o  203.419   38.915   55.933   18.537   49.996   19.181  140.008   72.179  155.613   32.628  251.225   70.661 -95.61124 77.83044 
1 1 1  -16   11   15 o  241.903   40.358  137.262   27.048  142.458   28.777   97.881   79.230  267.896   27.527  215.910   75.878 51.98531 80.71670 
1 1 1  -16   11   16 o  181.449   50.780   56.194   42.424   63.574   45.128   0.0868  124.429  174.667   57.314  188.231   83.842 -13.56450 101.5594 
1 1 1  -16   11   17 o  285.309   53.175  200.919   33.387  203.871   34.135  135.720  160.411  319.762   27.355  250.857  102.772 68.90460 106.3505 
1 1 1  -16   11   18 o  207.275   45.221   59.286   20.376   54.681   20.848  157.500   96.283  161.519   34.144  253.031   83.750 -91.51169 90.44254 
1 1 1  -16   11   19 o  249.872   47.710  168.124   52.666  205.516   59.898   40.701  110.570  311.013   49.351  188.730   81.667 122.2828 95.42049 
1 1 1  -16   11   20 o  346.403   46.295  245.561   35.840  238.390   37.549  319.026  120.184  344.287   27.947  348.519   88.271 -4.232178 92.58914 
1 1 1  -16   11   21 o  473.508   43.906  480.077   72.439  447.643   84.386  570.912  141.219  458.448   47.168  488.569   74.069 -30.12051 87.81261 
1 1 1  -16   11   22 o  342.369   54.086  319.847   65.244  350.069   75.623  231.851  129.041  403.761   47.995  280.978   96.943 122.7833 108.1730 
1 1 1  -16   11   23 f  232.365   51.537  121.486   36.795  119.350   38.349  146.253  130.598  234.023   43.596  230.708   93.400 3.315491 103.0735 
1 1 1  -16   11   24 o  534.412   47.384  561.094   60.167  527.245   63.222  886.221  195.938  505.888   32.024  562.938   89.192 -57.05014 94.76713 
1 1 1  -16   11   25 o  287.792   47.188  181.886   35.616  173.083   37.708  254.669  108.426  287.948   33.558  287.635   88.208 0.3132019 94.37601 
1 1 1  -16   11   26 o  207.312   45.948   91.095   29.823   84.363   31.525  148.458   92.023  193.291   42.912  221.333   81.262 -28.04288 91.89693 
1 1 1  -16   11   27 o  302.027   46.418  205.351   37.560  194.669   40.125  280.975  106.760  303.995   33.823  300.059   86.455 3.935699 92.83548 
1 1 1  -16   11   28 o  290.353   35.133  179.085   39.808  179.085   39.808   0.0000   0.0000  290.353   35.133  ?   ?       ?      ? 
1 1 1  -16   11   29 o  266.487   52.469  206.366   60.892  297.579   89.109  126.459   83.403  329.122   71.430  203.852   76.876 125.2693 104.9390 
1 1 1  -16   12    1 o  408.737   44.250  334.114   70.581  334.114   70.581   0.0000   0.0000  408.737   44.250  ?   ?       ?      ? 
1 1 1  -16   12    2 o  365.363   43.017  347.548   53.143  503.600   67.906  100.936   85.366  504.207   34.512  226.518   78.809 277.6884 86.03431 
1 1 1  -16   12    3 o  328.963   49.077  217.391   49.932  210.730   55.322  246.662  115.973  324.674   43.663  333.253   87.909 -8.578491 98.15498 
1 1 1  -16   12    4 o  447.828   50.558  402.359   63.559  392.250   69.404  454.909  158.237  443.753   40.079  451.903   92.835 -8.149292 101.1167 
1 1 1  -16   12    5 o  176.887   48.843   43.477   49.947 -31.7571   95.307   71.963   58.646  161.621   72.581  192.154   65.381 -30.53278 97.68628 
1 1 1  -16   12    6 f  538.992   31.827  573.219   66.178  525.591   86.075  642.073  103.493  512.657   43.025  565.327   46.911 -52.67010 63.65373 
1 1 1  -16   12    7 o  601.640   27.050  685.816   55.499  651.433   63.724  793.819  112.940  574.603   28.418  628.676   46.035 -54.07288 54.10023 
1 1 1  -16   12    8 o  360.415   50.006  301.964   38.524  307.655   40.293  241.379  131.463  395.149   26.130  325.681   96.539 69.46823 100.0125 
1 1 1  -16   12    9 o  428.088   30.521  253.397   33.170  224.666   34.746  548.776  111.410  337.561   26.377  518.615   55.049 -181.0546 61.04168 
1 1 1  -16   12   10 o  568.502   48.427  654.372  107.437   0.0000   0.0000  654.372  107.437  ?   ?   568.502   48.427      ?      ? 
1 1 1  -16   12   11 o  263.589   38.901  154.656   28.969  159.297   31.491  129.110   73.877  283.738   28.441  243.440   72.417 40.29736 77.80164 
1 1 1  -16   12   12 o  446.395   34.605  357.198   41.040  340.542   43.730  480.207  118.839  414.886   27.010  477.904   63.722 -63.01746 69.20953 
1 1 1  -16   12   13 o  546.630   36.121  647.160   58.123  667.191   64.625  562.361  132.965  579.776   28.563  513.484   66.356 66.29187 72.24226 
1 1 1  -16   12   14 o  130.914   38.775   10.949   11.610   9.9018   11.751   53.790   75.150   78.829   29.024  183.000   71.914 -104.1706 77.54983 
1 1 1  -16   12   15 o  217.218   55.555   90.366   47.179   87.691   50.700  107.641  128.853  200.387   60.078  234.048   93.466 -33.66176 111.1097 
1 1 1  -16   12   16 o  550.502   28.940  606.007   62.172  606.007   62.172   0.0000   0.0000  550.502   28.940  ?   ?       ?      ? 
1 1 1  -16   12   17 o  533.834   61.605  626.060  128.339   0.0000   0.0000  626.060  128.339  ?   ?   533.834   61.605      ?      ? 
1 1 1  -16   12   18 o  344.981   36.235  162.947   30.840  141.443   32.163  408.193  108.617  264.597   31.149  425.365   65.434 -160.7674 72.46975 
1 1 1  -16   12   19 o  381.519   42.048  278.280   38.642  264.473   40.851  395.682  119.119  362.279   28.896  400.758   78.975 -38.47882 84.09550 
1 1 1  -16   12   20 o  358.367   46.564  270.792   39.403  263.320   41.633  334.998  122.042  360.954   29.557  355.781   88.313 5.173187 93.12820 
1 1 1  -16   12   21 o  257.106   47.783  135.156   29.795  131.187   30.906  187.418  112.139  254.016   31.178  260.195   90.337 -6.179428 95.56584 
1 1 1  -16   12   22 o  124.214   40.210   13.316   19.179   15.666   19.460 -66.4828  113.394   98.227   37.112  150.200   71.346 -51.97320 80.42084 
1 1 1  -16   12   23 o  181.580   44.131   83.062   32.614   92.798   33.361 -127.0047  154.959  205.205   43.034  157.956   77.060 47.24916 88.26198 
1 1 1  -16   12   24 o  185.370   49.315   44.577   25.401   36.884   26.117  179.214  109.260  131.119   43.629  239.620   88.455 -108.5007 98.62947 
1 1 1  -16   12   25 o  111.885   38.246 -25.2690   18.201 -29.3953   18.662   55.096   82.359   56.058   27.211  167.713   71.489 -111.6543 76.49220 
1 1 1  -16   12   26 o  263.948   43.996  195.771   36.369  204.970   39.349  141.843   95.275  313.075   32.207  214.821   81.886 98.25352 87.99260 
1 1 1  -16   12   27 o  235.578   43.691  183.718   37.697  195.597   38.578 -67.5290  177.422  305.487   32.361  165.669   81.170 139.8185 87.38298 
1 1 1  -16   12   28 o  216.416   52.086  128.487   59.142   47.606   81.174  220.003   86.345  160.102   69.626  272.730   77.487 -112.6285 104.1727 
1 1 1  -16   13    1 o  402.085   46.912  222.460   57.874  156.143   62.843  592.734  148.494  271.209   60.872  532.960   71.397 -261.7510 93.82391 
1 1 1  -16   13    2 o  238.125   45.441  126.742   43.770  150.274   54.447   83.752   73.592  267.866   53.952  208.385   73.134 59.48134 90.88184 
1 1 1  -16   13    3 o  292.147   49.874  174.544   50.412  164.911   58.076  203.992  101.537  280.529   55.016  303.764   83.204 -23.23477 99.74797 
1 1 1  -16   13    4 f  953.742   91.471  2055.87  188.751  2028.41  198.889  2304.79  598.865  1001.47   50.891  906.013  175.721 95.45648 182.9421 
1 1 1  -16   13    5 o  322.294   66.278  233.439   87.253  244.933  137.220  225.637  113.051  327.368   98.994  317.220   88.155 10.14734 132.5555 
1 1 1  -16   13    6 o  296.236   44.708  220.299   47.513  268.126   56.184  100.211   89.028  366.517   39.281  225.954   80.326 140.5633 89.41669 
1 1 1  -16   13    7 o  599.440   42.350  720.607   99.067  720.607   99.067   0.0000   0.0000  599.440   42.350  ?   ?       ?      ? 
1 1 1  -16   13    8 o  548.513   28.446  594.804   60.889  594.804   60.889   0.0000   0.0000  548.513   28.446  ?   ?       ?      ? 
1 1 1  -16   13    9 o  247.813   37.605  102.682   25.693   93.212   27.441  169.982   73.156  216.588   32.467  279.038   67.841 -62.44991 75.20960 
1 1 1  -16   13   11 o  590.860   35.733  605.670   56.493  568.279   60.125  887.412  165.042  535.136   28.791  646.584   65.409 -111.4473 71.46526 
1 1 1  -16   13   12 o  182.006   39.688   60.108   18.538   60.135   19.061   59.632   79.739  174.021   28.068  189.990   74.247 -15.96953 79.37512 
1 1 1  -16   13   13 o  290.783   42.341  182.543   30.595  182.717   32.454  181.149   91.725  303.197   27.429  278.369   80.116 24.82806 84.68154 
1 1 1  -16   13   14 o  209.117   56.002   62.528   50.313   42.416   55.379  157.604  120.405  160.562   62.116  257.672   93.203 -97.10991 112.0048 
1 1 1  -16   13   15 f  196.970   47.929   68.945   22.308   69.102   22.641   63.745  130.361  182.621   32.984  211.318   90.005 -28.69704 95.85844 
1 1 1  -16   13   16 o  292.336   46.355  229.798   36.136  241.404   38.293  135.380  109.217  347.067   28.273  237.606   88.293 109.4611 92.70928 
1 1 1  -16   13   17 o  493.330   72.763  567.676  140.081   0.0000   0.0000  567.676  140.081  ?   ?   493.330   72.763      ?      ? 
1 1 1  -16   13   18 o  267.918   45.096  208.752   36.143  223.580   38.089   74.661  114.539  332.916   29.318  202.921   85.294 129.9952 90.19176 
1 1 1  -16   13   19 o  457.899   42.854  432.340   71.824  365.379   85.532  592.473  132.270  409.328   53.546  506.469   66.923 -97.14114 85.70806 
1 1 1  -16   13   20 o  264.016   47.316  161.956   32.325  161.811   33.778  163.524  111.386  282.307   30.661  245.724   89.527 36.58293 94.63168 
1 1 1  -16   13   21 o  132.053   43.879  -3.0268   14.199  -4.6304   14.327   85.331  106.345   63.896   28.456  200.210   83.016 -136.3144 87.75769 
1 1 1  -16   13   22 o  200.265   42.871  107.443   33.626  118.262   34.811 -43.3952  129.980  237.636   37.539  162.894   77.087 74.74136 85.74156 
1 1 1  -16   13   23 o  272.092   44.096  227.720   39.793  249.316   42.954   96.979  105.690  347.259   31.697  196.925   82.298 150.3342 88.19135 
1 1 1  -16   13   24 o  201.818   38.308  114.117   31.214  129.388   34.062   34.079   77.978  247.663   35.243  155.974   68.029 91.68916 76.61620 
1 1 1  -16   13   25 o  180.575   36.311   89.686   28.763  104.943   31.184   2.6858   74.465  222.237   35.957  138.913   63.096 83.32375 72.62178 
1 1 1  -16   13   26 o  187.822   51.296   68.187   27.419   66.382   27.791  134.292  168.165  171.129   41.941  204.514   93.627 -33.38467 102.5916 
1 1 1  -16   13   27 o  246.266   53.774  186.455   61.921  239.441   82.484  118.038   93.728  294.049   72.371  198.483   79.555 95.56589 107.5480 
1 1 1  -16   13   28 o  595.548   39.514  924.085   78.864  1181.49  102.326  547.498  123.769  742.487   35.316  448.609   70.699 293.8775 79.02846 
1 1 1  -16   14    1 o  388.522   53.969  299.960   66.668  280.306   74.754  376.353  147.379  371.549   51.557  405.494   94.829 -33.94455 107.9382 
1 1 1  -16   14    2 o  444.469   54.644  438.369   73.955  447.778   83.451  403.941  159.635  471.625   45.342  417.313   99.438 54.31235 109.2879 
1 1 1  -16   14    3 o  224.314   49.079  107.183   46.893  113.406   59.642   97.108   75.886  230.097   64.061  218.531   74.373 11.56537 98.15862 
1 1 1  -16   14    4 o  197.999   41.325   70.475   40.540  144.445   57.705  -1.6128   56.967  260.418   58.242  135.581   58.644 124.8369 82.65086 
1 1 1  -16   14    5 o  273.854   96.301  162.399  127.630  162.399  127.630   0.0000   0.0000  273.854   96.301  ?   ?       ?      ? 
1 1 1  -16   14    6 o  176.655   62.419   59.069   53.679   59.069   53.679   0.0000   0.0000  176.655   62.419  ?   ?       ?      ? 
1 1 1  -16   14    7 o  560.940   94.283  836.399  203.850  765.743  294.970  900.996  282.040  527.734  140.671  594.145  125.573 -66.41138 188.5655 
1 1 1  -16   14    9 o  447.237   60.150  384.663   80.270  345.164   87.861  584.099  197.424  407.865   55.201  486.608  106.888 -78.74341 120.3002 
1 1 1  -16   14   10 o  539.637   28.839  578.799   60.732  578.799   60.732   0.0000   0.0000  539.637   28.839  ?   ?       ?      ? 
1 1 1  -16   14   11 o  174.964   37.355   68.825   20.580   73.567   21.269  -0.7884   81.485  192.303   28.342  157.626   69.124 34.67601 74.70905 
1 1 1  -16   14   12 o  442.964   41.685  401.845   67.785  371.265   81.774  469.003  121.183  422.588   49.587  463.340   67.021 -40.75192 83.37080 
1 1 1  -16   14   13 o  214.436   45.654  102.392   25.601  105.259   26.158   37.327  124.633  229.413   29.219  199.459   86.507 29.95454 91.30813 
1 1 1  -16   14   14 o  198.380   45.159   65.287   21.719   62.933   22.268  111.274   98.433  173.641   34.079  223.120   83.641 -49.47882 90.31718 
1 1 1  -16   14   15 o  319.607   53.280  270.462   68.937  337.704   85.787  147.893  115.823  395.113   55.637  244.100   90.881 151.0129 106.5592 
1 1 1  -16   14   16 o  522.574   46.944  578.804   85.487  528.102   99.193  725.182  168.541  496.262   51.220  548.886   78.685 -52.62497 93.88718 
1 1 1  -16   14   17 o  184.810   44.010   62.928   20.233   62.757   20.615   67.414  105.662  173.513   31.610  196.108   82.149 -22.59494 88.02084 
1 1 1  -16   14   18 o  305.165   54.787  232.066   62.608  228.787   75.876  239.062  110.822  313.091   64.255  297.240   88.757 15.85049 109.5742 
1 1 1  -16   14   19 o  226.925   44.399  113.314   27.859  112.956   29.067  117.358   97.655  235.545   31.622  218.305   82.977 17.23933 88.79861 
1 1 1  -16   14   20 o  175.857   36.909   81.398   26.536   93.451   27.532 -76.2613   99.576  213.453   33.053  138.261   66.005 75.19226 73.81853 
1 1 1  -16   14   21 o  187.095   45.399   79.291   28.322   82.206   29.074   25.125  125.312  194.563   39.638  179.628   81.689 14.93498 90.79816 
1 1 1  -16   14   22 o  150.096   43.674   31.993   21.107   30.723   21.583   59.800  101.010  120.813   39.636  179.378   77.838 -58.56556 87.34872 
1 1 1  -16   14   23 o  179.894   38.337   88.980   30.173  103.171   32.457  -1.3476   81.887  216.543   39.878  143.245   65.487 73.29863 76.67386 
1 1 1  -16   14   24 o  165.134   42.860   46.919   24.366   40.640   25.657  104.677   77.812  135.237   43.122  195.030   74.084 -59.79320 85.71974 
1 1 1  -16   14   25 o  290.054   53.981  263.549   44.359  265.531   45.442  223.473  204.382  355.803   32.728  224.305  102.882 131.4982 107.9623 
1 1 1  -16   14   26 o  160.794   53.201   24.549   65.650   31.555   70.123 -25.1641  186.801  148.345   64.612  173.242   84.538 -24.89742 106.4017 
1 1 1  -16   14   27 o  138.128   50.871  -6.2942   21.372  -7.9790   21.484  152.918  208.852   75.205   34.052  201.051   95.873 -125.8457 101.7412 
1 1 1  -16   15    1 o  371.244   56.069  271.531   71.525  225.835   82.855  405.183  141.699  321.858   68.092  420.629   89.097 -98.77069 112.1371 
1 1 1  -16   15    2 o  467.650   54.156  449.739   98.832  449.739   98.832   0.0000   0.0000  467.650   54.156  ?   ?       ?      ? 
1 1 1  -16   15    3 o  700.774   53.379  1009.44  145.977  1009.44  145.977   0.0000   0.0000  700.774   53.379  ?   ?       ?      ? 
1 1 1  -16   15    4 o  355.051   54.006  295.097   67.729  319.796   80.429  234.886  125.578  394.588   52.232  315.513   94.543 79.07535 108.0115 
1 1 1  -16   15    5 o  525.516   63.040  696.708   97.447  751.942  110.655  505.874  205.680  607.670   46.663  443.361  117.127 164.3094 126.0798 
1 1 1  -16   15    6 o  276.904   67.395  159.001   84.382  246.932  148.047  116.690  102.696  317.326  103.794  236.481   85.993 80.84462 134.7892 
1 1 1  -16   15    7 o  227.517   53.966   74.488   56.732   19.247   67.388  208.915  105.123  156.488   65.581  298.546   85.723 -142.0586 107.9321 
1 1 1  -16   15    8 o  184.219   49.934   30.846   51.547 -16.6896   63.557  122.217   88.116  133.232   59.590  235.206   80.142 -101.9738 99.86807 
1 1 1  -16   15    9 o  375.071   58.587  316.116   69.824  309.106   77.860  344.914  157.815  385.316   51.780  364.825  105.113 20.49139 117.1748 
1 1 1  -16   15   10 o  425.329  117.831  504.425  202.308   0.0000   0.0000  504.425  202.308  ?   ?   425.329  117.831      ?      ? 
1 1 1  -16   15   11 o  347.899   61.203  292.754   75.938  293.048   86.988  291.810  155.685  368.408   60.506  327.390  106.407 41.01770 122.4067 
1 1 1  -16   15   12 o  334.967   55.235  288.130   41.355  292.624   42.823  225.958  159.281  382.316   28.703  287.618  106.676 94.69809 110.4697 
1 1 1  -16   15   13 f  152.185   45.842   22.451   14.117   22.016   14.215   53.702  120.511  104.132   31.939  200.238   85.942 -96.10589 91.68464 
1 1 1  -16   15   14 o  552.528   71.650  707.721  154.490   0.0000   0.0000  707.721  154.490  ?   ?   552.528   71.650      ?      ? 
1 1 1  -16   15   15 o  267.386   47.569  179.798   32.705  183.603   34.026  133.648  118.508  301.904   28.881  232.868   90.649 69.03613 95.13879 
1 1 1  -16   15   16 o  131.576   41.957   12.509   13.201   12.215   13.310   30.173  103.203   84.857   30.943  178.296   78.000 -93.43889 83.91373 
1 1 1  -16   15   17 o  220.412   43.446  105.731   27.410  105.501   28.715  108.098   91.979  227.605   32.329  213.218   80.653 14.38695 86.89121 
1 1 1  -16   15   18 o  300.240   41.186  263.494   38.689  306.752   43.746  108.177   82.893  389.441   28.785  211.039   77.180 178.4025 82.37270 
1 1 1  -16   15   19 o  158.684   36.042   61.814   24.653   72.703   26.136 -26.0948   74.258  184.052   37.657  133.316   61.466 50.73544 72.08414 
1 1 1  -16   15   20 o  227.260   42.003  139.119   34.094  150.546   36.916   72.846   88.904  269.117   35.152  185.404   76.298 83.71283 84.00569 
1 1 1  -16   15   21 o  166.060   38.425   69.224   25.946   77.255   27.129 -16.9194   88.846  188.205   38.242  143.916   66.661 44.28891 76.85101 
1 1 1  -16   15   22 o  182.041   33.257   99.265   30.494  127.794   32.549 -105.5012   87.202  246.919   33.779  117.163   57.298 129.7563 66.51402 
1 1 1  -16   15   23 o  198.721   39.876  108.838   31.369  119.299   33.611   38.206   87.337  236.759   36.379  160.682   70.972 76.07700 79.75262 
1 1 1  -16   15   24 o  225.764   49.326  137.705   34.048  139.508   34.608   83.393  189.935  256.907   34.520  194.621   92.414 62.28584 98.65121 
1 1 1  -16   15   25 o  176.972   59.735 -21.2327   68.975 -64.8434   73.711  285.765  195.571  114.743   55.300  239.202  105.901 -124.4593 119.4705 
1 1 1  -16   15   26 o  213.505   43.813  131.288   33.631  137.087   34.877   54.493  126.919  253.229   35.294  173.782   80.205 79.44678 87.62672 
1 1 1  -16   16    1 o  514.394   62.076  589.347  100.382  573.405  113.885  644.871  212.535  524.333   55.658  504.455  110.978 19.87802 124.1524 
1 1 1  -16   16    2 f  324.704   49.654  247.544   63.932  346.624   86.533  128.460   94.867  408.142   54.330  241.266   83.128 166.8761 99.30727 
1 1 1  -16   16    3 o  260.741   54.879  136.128   65.166  254.854  101.691   53.400   84.886  332.509   79.455  188.972   75.721 143.5373 109.7578 
1 1 1  -16   16    4 o  212.393   57.481   81.479   71.753 -22.3420  126.388  130.854   87.161  183.466   82.876  241.321   79.675 -57.85561 114.9629 
1 1 1  -16   16    5 f  301.382   58.327  206.613   66.031  196.650   78.187  231.393  123.305  295.716   69.012  307.048   94.050 -11.33179 116.6536 
1 1 1  -16   16    6 o  220.763   61.928   87.714   74.209  102.133  137.476   81.785   88.155  235.151   95.602  206.375   78.743 28.77599 123.8553 
1 1 1  -16   16    7 o  322.521   66.978  233.372   81.542  233.372   81.542   0.0000   0.0000  322.521   66.978  ?   ?       ?      ? 
1 1 1  -16   16    8 o  223.399   54.960  107.550   62.648  159.084   85.524   47.880   92.028  259.665   78.070  187.133   77.380 72.53172 109.9205 
1 1 1  -16   16    9 o  254.294   58.271  159.380   67.878  186.757   85.154  111.666  112.415  280.582   75.924  228.005   88.418 52.57646 116.5427 
1 1 1  -16   16   10 o  295.422   62.240  212.469   70.341  205.000   80.550  236.460  144.357  296.294   70.658  294.550  102.483 1.744568 124.4798 
1 1 1  -16   16   11 o  227.366   49.970  122.892   63.034  203.786   76.021 -55.0916  112.762  296.432   67.260  158.299   73.921 138.1325 99.94075 
1 1 1  -16   16   12 o  417.338   67.664  473.016   92.045  480.348  102.603  442.790  208.321  470.087   55.931  364.588  123.229 105.4991 135.3281 
1 1 1  -16   16   13 o  177.527   45.245   59.890   21.305   61.559   21.574  -5.9015  135.417  171.334   33.467  183.719   84.074 -12.38495 90.49025 
1 1 1  -16   16   14 o  320.989   61.716  294.132   78.296  314.960   87.489  210.360  175.463  375.917   59.639  266.060  108.068 109.8565 123.4324 
1 1 1  -16   16   15 o  396.250   65.408  365.825   49.495  358.473   50.777  505.902  221.644  420.416   30.949  372.083  127.102 48.33289 130.8161 
1 1 1  -16   16   16 o  219.320   53.056   85.575   23.324   84.737   23.535  131.645  174.575  204.624   29.473  234.016  101.936 -29.39290 106.1115 
1 1 1  -16   16   17 o  254.305   56.661  141.944   32.193  141.130   32.591  174.642  206.532  262.990   31.756  245.619  108.781 17.37086 113.3216 
1 1 1  -16   16   18 o  148.206   68.071 -17.0734   89.890   0.0000   0.0000 -17.0734   89.890  ?   ?   148.206   68.071      ?      ? 
1 1 1  -16   16   19 o  122.825   35.648   24.918   17.899   29.068   18.290 -69.0316   87.025  117.336   36.269  128.315   61.381 -10.97970 71.29585 
1 1 1  -16   16   20 o  111.434   34.638   15.564   16.121   19.084   16.382 -92.4305   90.736   99.091   34.521  123.777   60.063 -24.68565 69.27632 
1 1 1  -16   16   21 f  166.592   42.478   56.231   22.906   56.056   23.583   59.159   96.285  159.085   38.421  174.100   75.772 -15.01514 84.95618 
1 1 1  -16   16   22 o  152.098   43.610   38.243   22.365   37.309   22.898   57.575  104.208  130.128   40.641  174.068   77.172 -43.94060 87.21980 
1 1 1  -16   16   23 o  189.237   51.279   78.991   28.991   80.167   29.157 -23.3075  271.969  189.191   40.699  189.282   94.137 -0.9120178E-01 102.5585 
1 1 1  -16   16   24 o  171.586   56.171   47.009   73.980   59.240   78.301 -54.7453  225.839  165.959   70.180  177.214   87.725 -11.25415 112.3428 
1 1 1  -16   16   25 o  188.710   37.709  110.162   33.609  128.490   34.745 -156.5286  132.538  244.493   36.416  132.927   66.044 111.5653 75.41873 
1 1 1  -16   17    1 o  333.768   61.820  274.365   80.702  285.276  103.077  257.084  129.721  349.645   77.573  317.891   96.278 31.75369 123.6407 
1 1 1  -16   17    2 o  414.546   81.897  475.535  136.606  508.400  208.621  450.866  180.744  421.292  120.701  407.801  110.725 13.49118 163.7947 
1 1 1  -16   17    3 o  396.569   59.446  369.846   93.270  569.730  139.535  208.401  125.403  505.925   70.675  287.212   95.604 218.7122 118.8912 
1 1 1  -16   17    4 o  180.566   52.173   36.025   61.052 -15.4874   86.106   88.103   86.578  153.459   68.946  207.672   78.323 -54.21353 104.3461 
1 1 1  -16   17    5 o  288.596   57.527  211.109   70.420  254.376   89.498  140.781  114.103  332.248   71.171  244.944   90.400 87.30424 115.0536 
1 1 1  -16   17    6 o  265.682   92.428  177.281  117.419   0.0000   0.0000  177.281  117.419  ?   ?   265.682   92.428      ?      ? 
1 1 1  -16   17    7 o  190.977   54.871   56.157   64.486   91.337   95.854   27.071   87.159  210.356   81.625  171.598   73.353 38.75847 109.7424 
1 1 1  -16   17    8 o  215.069   58.442   98.154   68.339   81.860   89.853  120.513  105.257  201.771   78.825  228.368   86.304 -26.59650 116.8833 
1 1 1  -16   17    9 o  196.756   57.065   68.013   70.371   83.200   94.171   48.809  105.896  202.996   80.269  190.516   81.132 12.48009 114.1294 
1 1 1  -16   17   10 o  335.280   60.053  313.538   82.886  366.355   99.928  197.070  148.389  404.181   63.355  266.379  102.037 137.8022 120.1056 
1 1 1  -16   17   11 o  202.927   58.935   73.013   69.845   54.012   83.851  116.073  126.228  180.568   74.178  225.287   91.601 -44.71910 117.8690 
1 1 1  -16   17   12 o  225.483   58.830  127.633   69.667  151.053   81.905   66.355  132.489  245.869   76.876  205.096   89.072 40.77240 117.6592 
1 1 1  -16   17   13 o  279.795   60.106  228.788   77.166  266.799   88.557  108.889  157.280  333.725   70.222  225.866   97.569 107.8592 120.2118 
1 1 1  -16   17   14 o  251.318   54.891  123.222   28.352  121.039   28.761  198.394  168.759  244.399   30.156  258.236  105.560 -13.83765 109.7826 
1 1 1  -16   17   15 o  202.152   53.938   64.777   22.042   63.959   22.200  121.510  184.930  174.048   33.904  230.256  102.409 -56.20790 107.8754 
1 1 1  -16   17   16 o  284.253   30.240  164.490   33.544  164.490   33.544   0.0000   0.0000  284.253   30.240  ?   ?       ?      ? 
1 1 1  -16   17   17 o  329.408   34.672  224.853   44.571  224.853   44.571   0.0000   0.0000  329.408   34.672  ?   ?       ?      ? 
1 1 1  -16   17   18 o  124.342   48.389  -3.4585   11.251  -3.3670   11.265 -40.2728  225.956   57.015   25.321  191.668   93.407 -134.6529 96.77814 
1 1 1  -16   17   19 o  137.169   46.834   18.204   16.439   19.028   16.482 -139.3370  227.925   98.982   34.618  175.355   87.036 -76.37263 93.66799 
1 1 1  -16   17   20 o  241.742   47.370  185.320   36.159  191.684   36.527 -125.7837  255.375  303.953   30.794  179.531   89.596 124.4226 94.74052 
1 1 1  -16   17   21 f  182.431   50.433   68.133   25.459   69.061   25.582 -28.0290  260.389  176.665   38.217  188.197   93.345 -11.53195 100.8655 
1 1 1  -16   17   22 o  163.396   60.098   6.1394   17.735   4.4857   17.771  409.478  277.543   80.303   33.667  246.489  115.384 -166.1852 120.1955 
1 1 1  -16   17   23 o  248.218   61.282  100.165   67.868   11.265   75.570  470.811  154.304  141.961   64.109  354.476  104.461 -212.5149 122.5649 
1 1 1  -16   17   24 f  191.950   47.894   84.499   28.221   83.630   28.765  106.809  145.712  193.138   39.497  190.761   87.265 2.377182 95.78779 
1 1 1  -16   18    1 o  262.066   60.587  167.711   74.411  233.169  107.167  106.774  103.401  303.542   86.355  220.590   85.006 82.95248 121.1740 
1 1 1  -16   18    2 o  223.572   57.573   95.984   68.585  190.831  106.652   29.104   89.558  273.609   87.990  173.535   74.273 100.0739 115.1463 
1 1 1  -16   18    3 o  647.643   72.250  964.267  182.602  964.267  182.602   0.0000   0.0000  647.643   72.250  ?   ?       ?      ? 
1 1 1  -16   18    4 o  241.416   65.868  141.869   88.141  118.908  139.338  157.185  113.803  233.019   95.661  249.813   90.573 -16.79315 131.7362 
1 1 1  -16   18    5 o  207.206   56.372   83.480   67.189  140.632   96.432   29.559   93.667  239.156   83.730  175.257   75.502 63.89879 112.7440 
1 1 1  -16   18    6 f  352.303   65.550  335.474   89.390  347.455  108.865  310.680  156.612  380.054   76.057  324.553  106.784 55.50104 131.1010 
1 1 1  -16   18    7 o  294.630   68.100  230.246   86.241  205.330  105.231  281.214  150.503  280.171   87.062  309.090  104.741 -28.91855 136.1996 
1 1 1  -16   18    8 o  383.708   65.252  410.968   95.660  444.025  115.050  336.928  172.182  440.382   66.946  327.033  112.024 113.3484 130.5037 
1 1 1  -16   18    9 o  585.089   58.363  758.290  133.257  758.290  133.257   0.0000   0.0000  585.089   58.363  ?   ?       ?      ? 
1 1 1  -16   18   10 o  180.654   55.698   31.137   73.058   8.7964   95.925   61.995  112.739  165.408   73.650  195.901   83.576 -30.49297 111.3966 
1 1 1  -16   18   11 o  203.035   59.313   82.853   75.348   91.705   94.201   67.130  125.544  204.094   80.415  201.976   87.210 2.117935 118.6264 
1 1 1  -16   18   12 o  211.118   62.076   91.120   76.950   82.772   89.329  115.137  151.512  196.901   78.077  225.336   96.529 -28.43483 124.1524 
1 1 1  -16   18   13 o  234.004   66.544  110.117   77.102   73.676   86.171  256.422  172.663  189.650   76.187  278.357  109.124 -88.70724 133.0881 
1 1 1  -16   18   14 o  372.044   63.091  485.483  101.811  558.633  113.744  190.711  228.329  496.389   58.718  247.700  111.688 248.6891 126.1823 
1 1 1  -16   18   15 o  250.603   33.743  129.584   33.000  129.584   33.000   0.0000   0.0000  250.603   33.743  ?   ?       ?      ? 
1 1 1  -16   18   16 o  262.942  118.993  334.879  261.931   0.0000   0.0000  334.879  261.931  ?   ?   262.942  118.993      ?      ? 
1 1 1  -16   18   17 o  244.799   53.324  154.879   33.130  155.482   33.485  126.913  228.044  274.283   31.284  215.316  101.956 58.96706 106.6477 
1 1 1  -16   18   18 o  179.652   53.440   47.523   20.535   46.602   20.629  147.706  215.151  145.712   36.389  213.592  100.495 -67.88084 106.8801 
1 1 1  -16   18   19 o  135.298   48.939   7.3234   14.381   7.0801   14.417   56.243  204.417   77.594   31.166  193.002   92.783 -115.4077 97.87775 
1 1 1  -16   18   20 o  210.092   48.996  111.434   30.224  113.175   30.506   18.338  223.075  231.848   33.717  188.337   92.008 43.50998 97.99138 
1 1 1  -16   18   21 o  209.376   64.292  116.690   73.145   99.075   77.584  257.553  219.393  190.166   73.535  228.586  105.481 -38.41954 128.5833 
1 1 1  -16   18   22 o  190.073   48.152   84.184   27.335   85.163   27.610   35.737  194.291  196.643   37.345  183.504   88.769 13.13896 96.30424 
1 1 1  -16   18   23 o  176.759   46.479   72.551   26.689   74.401   26.937 -26.6096  197.248  182.021   39.089  171.497   84.339 10.52373 92.95716 
1 1 1  -16   19    1 o  219.165   57.540   71.524   65.121  222.306  119.664   8.0811   77.622  285.029   93.320  153.301   67.341 131.7282 115.0802 
1 1 1  -16   19    2 o  308.121   67.465  264.350   90.084  289.445  125.132  237.351  129.793  325.908   93.510  290.333   97.273 35.57465 134.9303 
1 1 1  -16   19    3 o  230.098   63.567   49.260   76.285  300.936  159.861 -24.9478   86.806  313.454  107.914  146.743   67.212 166.7108 127.1336 
1 1 1  -16   19    4 o  204.243   55.855   41.982   64.079  200.046  116.601 -26.4118   76.700  270.857   92.190  137.628   63.089 133.2282 111.7104 
1 1 1  -16   19    5 o  241.718   59.750  136.506   74.964  233.455  110.712   54.425  101.870  294.928   88.860  188.508   79.900 106.4199 119.4991 
1 1 1  -16   19    6 o  314.656   67.602  282.247   90.665  296.661  114.982  258.552  147.421  335.795   87.030  293.516  103.470 42.27872 135.2048 
1 1 1  -16   19    7 o  196.368   55.591   40.493   73.896  165.708  106.874 -74.2032  102.287  249.894   88.098  142.842   67.825 107.0519 111.1824 
1 1 1  -16   19    8 f  256.735   65.852  176.854   82.709  159.266  103.568  207.820  137.421  245.756   86.716  267.714   99.127 -21.95772 131.7032 
1 1 1  -16   19    9 o  275.559   56.690  209.653   80.931  323.943  103.045   25.654  130.745  362.666   75.274  188.452   84.787 174.2140 113.3795 
1 1 1  -16   19   10 o  236.797   62.102  151.646   79.573  183.205   97.470   88.582  137.786  261.867   84.107  211.728   91.392 50.13931 124.2034 
1 1 1  -16   19   11 o  242.211   66.336  158.290   84.421  148.820   99.813  182.092  158.233  236.258   84.939  248.164  101.917 -11.90619 132.6718 
1 1 1  -16   19   12 o  201.299   61.613   79.424   86.819  103.578   99.528   2.5464  177.562  207.422   82.361  195.177   91.659 12.24458 123.2264 
1 1 1  -16   19   13 o  219.375   82.040  127.994   94.590  127.994   94.590   0.0000   0.0000  219.375   82.040  ?   ?       ?      ? 
1 1 1  -16   19   14 o  204.190   68.941   39.900  150.828  -8.1418  264.174   63.134  183.714  205.129  100.193  203.251   94.724 1.877914 137.8815 
1 1 1  -16   19   15 o  195.050   63.317   37.205   78.309   1.3165   85.027  237.782  201.010  147.929   67.280  242.171  107.282 -94.24200 126.6334 
1 1 1  -16   19   16 o  131.605   47.135   8.8020   12.964   8.8303   12.994   2.6042  192.275   77.829   30.094  185.382   89.337 -107.5528 94.26990 
1 1 1  -16   19   17 o  292.103   51.344  292.442   44.505  299.892   45.377  104.040  228.187  380.291   30.576  203.916   98.030 176.3747 102.6879 
1 1 1  -16   19   18 o   96.882   42.745 -16.4375   4.5110 -16.4129   4.5121 -63.5370  197.569   21.083   10.693  172.681   84.818 -151.5979 85.48914 
1 1 1  -16   19   19 o  164.358   54.957   19.978   65.000   18.168   68.816   34.953  197.949  141.862   62.812  186.855   90.199 -44.99342 109.9142 
1 1 1  -16   19   20 o  174.928   54.256   67.233   63.195   78.247   67.886  -4.3052  173.006  175.747   68.555  174.110   84.113 1.637436 108.5118 
1 1 1  -16   19   21 o  136.687   43.429   25.548   19.371   26.587   19.525 -39.6214  154.697  112.261   37.727  161.112   78.236 -48.85098 86.85744 
1 1 1  -16   19   22 o  141.103   50.065   4.7622   17.244   3.1569   17.326  172.839  177.281   77.576   32.920  204.631   94.564 -127.0553 100.1307 
1 1 1  -16   20    1 o  279.588   63.703  212.488   82.111  280.445  117.599  147.841  114.700  321.291   90.132  237.885   90.046 83.40591 127.4052 
1 1 1  -16   20    2 o  209.064   59.466   90.433   76.936   37.558  109.745  141.533  107.886  183.815   80.424  234.314   87.618 -50.49899 118.9327 
1 1 1  -16   20    3 f  275.337   65.019  195.180   86.497  321.013  133.546  104.242  113.529  336.155   96.647  214.519   87.000 121.6363 130.0373 
1 1 1  -16   20    4 o  237.246   63.740  101.296   81.832   17.146   99.048  282.264  145.249  169.771   75.254  304.721  102.898 -134.9492 127.4799 
1 1 1  -16   20    5 o  263.913   54.137  163.097   72.561  317.826  104.390   18.452  100.932  356.749   77.223  171.077   75.893 185.6721 108.2733 
1 1 1  -16   20    6 o  138.701   45.557 -50.0167   62.162 -133.6750   98.043   6.2192   80.384  124.744   60.953  152.658   67.725 -27.91445 91.11465 
1 1 1  -16   20    7 o  205.075   65.876   32.807   92.700  173.002  204.317  -3.5319  104.022  246.252  108.671  163.898   74.494 82.35402 131.7525 
1 1 1  -16   20    8 o  362.455   76.468  338.054   98.567  268.291  110.170  617.922  220.661  313.107   87.028  411.803  125.760 -98.69672 152.9359 
1 1 1  -16   20    9 o  318.371   65.263  322.905   90.906  357.491  105.286  221.594  180.195  378.776   73.882  257.965  107.604 120.8111 130.5264 
1 1 1  -16   20   10 o  279.066   85.264  218.064  101.417  218.064  101.417   0.0000   0.0000  279.066   85.264  ?   ?       ?      ? 
1 1 1  -16   20   11 o  177.795   76.693   51.988   96.896   51.988   96.896   0.0000   0.0000  177.795   76.693  ?   ?       ?      ? 
1 1 1  -16   20   12 o  210.999   68.060  101.962  130.628 -52.1055  237.250  168.986  156.483  192.748   94.315  229.249   98.150 -36.50110 136.1204 
1 1 1  -16   20   13 o  206.727   59.005  120.799   75.372  144.053   86.676   48.685  152.638  224.842   79.330  188.611   87.367 36.23146 118.0095 
1 1 1  -16   20   14 f  195.318   60.731   78.073   66.664   64.115   71.414  172.636  185.880  170.214   69.012  220.421   99.951 -50.20732 121.4615 
1 1 1  -16   20   15 o  138.964   48.485 -38.6894   56.607 -30.8545   59.368 -117.0940  187.804  113.847   53.316  164.081   80.997 -50.23395 96.96941 
1 1 1  -16   20   16 o  192.027   63.852   24.464   68.726  -8.8760   72.200  346.135  224.264  132.734   60.980  251.320  112.205 -118.5856 127.7048 
1 1 1  -16   20   17 o  109.098   42.880  -4.9301   10.251  -4.6052   10.264 -139.7455  209.058   52.498   23.675  165.698   82.428 -113.2002 85.76094 
1 1 1  -16   20   18 o  190.486   51.758  103.623   65.622  148.227   70.383 -192.9794  181.496  230.410   71.137  150.562   75.200 79.84799 103.5155 
1 1 1  -16   20   19 o  235.286   50.204  146.378   33.901  145.835   34.615  159.134  167.729  262.592   33.780  207.980   94.554 54.61182 100.4070 
1 1 1  -16   20   20 o  175.749   43.498   75.068   25.687   77.564   26.102  -1.5524  144.609  187.242   37.034  164.256   78.719 22.98671 86.99511 
1 1 1  -16   21    1 o  165.372   52.773   5.4796   72.245   16.009  104.174  -4.2767  100.278  170.137   76.179  160.607   73.053 9.530212 105.5463 
1 1 1  -16   21    2 f  117.626   40.445 -95.1320   52.840 -58.2604   92.229 -113.1485   64.470  137.696   65.093   97.556   48.022 40.14037 80.89015 
1 1 1  -16   21    3 o  158.443   50.100   8.2696   63.450   3.5483   92.732   12.426   87.006  158.461   71.339  158.426   70.363 0.3460693E-01 100.2006 
1 1 1  -16   21    4 o  165.252   51.447 -10.8201   65.394 -78.9638   83.107   99.967  105.967  124.095   59.526  206.408   83.927 -82.31294 102.8935 
1 1 1  -16   21    5 o  251.253   66.327  127.405   81.237   50.233   93.915  356.755  161.903  178.004   76.119  324.502  108.641 -146.4978 132.6537 
1 1 1  -16   21    6 o  149.918   49.192 -64.9440   73.049 -174.4301  102.216   49.348  104.435  118.726   58.816  181.110   78.868 -62.38342 98.38435 
1 1 1  -16   21    7 o  176.914   86.498 -119.6026  198.374 -119.6026  198.374   0.0000   0.0000  176.914   86.498  ?   ?       ?      ? 
1 1 1  -16   21    8 o  134.397   64.684 -83.2723  100.034 -83.2723  100.034   0.0000   0.0000  134.397   64.684  ?   ?       ?      ? 
1 1 1  -16   21    9 o  188.556   55.977   74.089   74.650  123.539   93.711 -11.7800  123.487  212.117   81.126  164.995   77.150 47.12227 111.9532 
1 1 1  -16   21   10 o  197.340   64.635   68.482  108.379  110.250  207.311   52.774  127.135  211.023   99.081  183.658   83.027 27.36539 129.2693 
1 1 1  -16   21   11 o  145.012   46.045   3.6412   56.659   42.395   70.574 -66.6233   95.030  157.550   66.626  132.473   63.573 25.07698 92.08975 
1 1 1  -16   21   12 o  142.763   45.461   9.9410   52.037   20.109   64.023  -9.8536   89.328  141.024   61.572  144.503   66.900 -3.478638 90.92139 
1 1 1  -16   21   13 o  181.509   53.713   69.195   58.100   46.419   68.470  127.775  109.809  157.292   66.021  205.726   84.743 -48.43430 107.4255 
1 1 1  -16   21   14 o  149.204   47.879   16.383   56.911   27.052   66.401 -13.1451  110.465  145.164   63.051  153.244   72.072 -8.080673 95.75893 
1 1 1  -16   21   15 o  189.316   57.252   87.946   65.549   80.751   73.090  117.511  148.165  178.733   70.703  199.900   90.067 -21.16702 114.5035 
1 1 1  -16   21   16 o  152.866   50.890   3.9307   64.126   7.7781   70.577 -14.2759  153.529  137.937   62.155  167.795   80.599 -29.85812 101.7808 
1 1 1  -16   21   17 o  166.677   49.350   60.188   58.474   95.182   63.794 -123.7665  146.263  188.103   67.872  145.252   71.661 42.85085 98.70049 
1 1 1  -16   21   18 o  111.937   37.444   10.848   15.872   12.984   15.995 -126.8009  128.405   88.287   33.576  135.587   66.939 -47.30006 74.88783 
1 1 1  -16   21   19 o  210.207   53.666  145.745   58.939  158.678   63.607   67.215  156.742  241.051   65.783  179.362   84.810 61.68919 107.3324 
1 1 1  -16   22    1 o  235.057   73.146  173.019  118.992  252.494  237.704  146.444  137.454  247.312  112.485  222.803   93.532 24.50896 146.2912 
1 1 1  -16   22    2 o  222.284   70.922  109.903  108.577  296.139  234.133   58.879  122.552  257.455  114.817  187.113   83.285 70.34158 141.8430 
1 1 1  -16   22    3 o  206.424   99.194   48.297  233.065   48.297  233.065   0.0000   0.0000  206.424   99.194  ?   ?       ?      ? 
1 1 1  -16   22    4 o  145.284   67.819 -25.9725   94.782 -25.9725   94.782   0.0000   0.0000  145.284   67.819  ?   ?       ?      ? 
1 1 1  -16   22    5 o  153.996   69.882   7.7237   91.077   7.7237   91.077   0.0000   0.0000  153.996   69.882  ?   ?       ?      ? 
1 1 1  -16   22    6 o  205.246   58.743  117.136   74.606  138.947   93.339   78.550  124.148  219.288   81.596  191.204   84.527 28.08394 117.4852 
1 1 1  -16   22    7 o  172.563   53.081   49.383   69.550   87.972   88.532 -12.8250  112.406  188.123   76.627  157.003   73.474 31.11972 106.1613 
1 1 1  -16   22    8 o  195.494   63.707   65.485   94.510  192.355  200.331   29.165  107.187  224.100  102.443  166.888   75.762 57.21182 127.4149 
1 1 1  -16   22    9 o  162.727   47.609   38.624   57.661  102.768   71.195 -83.6630   98.302  195.743   71.536  129.712   62.843 66.03076 95.21833 
1 1 1  -16   22   10 o  125.513   42.345 -47.0828   50.590 -64.1104   60.010  -5.2560   94.054  103.057   49.726  147.969   68.555 -44.91206 84.69080 
1 1 1  -16   22   11 o  146.474   46.805 -28.3419   50.796 -75.7264   59.119  105.321   99.291   98.617   47.998  194.331   80.367 -95.71378 93.60926 
1 1 1  -16   22   12 o  161.128   50.332   32.097   55.355   12.157   64.706   86.516  106.895  136.423   60.631  185.833   80.356 -49.41005 100.6636 
1 1 1  -16   22   13 o  152.158   48.689   16.776   59.751   2.3751   75.120   41.580   98.585  138.818   63.176  165.498   74.105 -26.67949 97.37891 
1 1 1  -16   22   14 o  108.344   37.176 -90.1513   51.553 -30.2734   64.267 -198.2212   86.339  117.752   55.249   98.936   49.758 18.81545 74.35264 
1 1 1  -16   22   15 o  202.895   57.487  118.206   61.858  111.332   68.843  147.018  140.941  199.420   70.664  206.369   90.695 -6.949326 114.9732 
1 1 1  -16   22   16 o  139.714   46.070   2.8204   53.008   15.786   58.211 -60.1401  128.276  132.167   58.180  147.261   71.448 -15.09370 92.14011 
1 1 1  -16   22   17 o  138.817   46.685  -7.0501   49.783 -11.4438   53.922   18.319  129.571  114.579   52.661  163.055   77.103 -48.47578 93.37038 
1 1 1  -16   23    1 o  178.214   86.373 -24.2420  186.129 -24.2420  186.129   0.0000   0.0000  178.214   86.373  ?   ?       ?      ? 
1 1 1  -16   23    2 o  208.581   67.516  118.970  111.116  215.377  219.892   85.911  128.766  226.059  104.766  191.103   85.193 34.95555 135.0322 
1 1 1  -16   23    3 o  161.284   52.692   10.839   77.388   21.392  115.003   2.1056  104.619  166.405   76.638  156.164   72.335 10.24110 105.3835 
1 1 1  -16   23    4 o  147.848   49.045 -21.0127   68.970   16.085  111.601 -43.9368   87.729  163.192   75.279  132.503   62.886 30.68907 98.08986 
1 1 1  -16   23    5 o  168.023   57.980 -13.6521   84.107   44.362  239.797 -21.7900   89.813  195.753   95.579  140.292   65.661 55.46104 115.9603 
1 1 1  -16   23    6 o  222.857   70.411  193.539  122.978  171.338  275.914  199.043  137.379  213.421  103.833  232.293   95.131 -18.87231 140.8228 
1 1 1  -16   23    7 o  152.664   48.742  -1.4783   67.201   73.656   88.538 -103.5837  103.213  177.397   74.800  127.931   62.516 49.46575 97.48476 
1 1 1  -16   23    8 o  200.050   66.687  102.594  125.097  153.888  243.955   84.294  145.713  209.754  100.968  190.345   87.145 19.40907 133.3748 
1 1 1  -16   23    9 o  139.739   47.035 -51.0331   64.149 -92.6446   78.314   33.817  111.830  112.022   54.680  167.457   76.546 -55.43545 94.07017 
1 1 1  -16   23   10 o  193.289   53.000   96.739   68.478  169.517   84.921 -38.5624  115.789  237.812   78.651  148.767   71.064 89.04523 106.0001 
1 1 1  -16   23   11 o  152.936   50.621 -43.5723   66.290 -105.9806   78.253  115.035  124.749  108.672   53.378  197.200   86.027 -88.52811 101.2417 
1 1 1  -16   23   12 o  151.300   48.141   19.788   61.488   56.229   70.924 -90.4787  123.375  162.031   67.541  140.568   68.618 21.46300 96.28143 
1 1 1  -16   23   13 o  132.490   45.107 -36.5007   59.135 -23.3277   66.390 -87.0833  130.095  121.401   56.700  143.578   70.168 -22.17685 90.21326 
1 1 1  -16   23   14 o  139.928   48.888 -73.5112   57.931 -102.4272   62.948   86.511  148.081   94.758   46.798  185.098   85.850 -90.34035 97.77693 
1 1 1  -16   24    1 o  201.806   63.642  122.193  102.645  155.227  142.527   86.597  147.950  212.565   92.350  191.048   87.593 21.51755 127.2835 
1 1 1  -16   24    2 o  148.457   52.311 -109.1107   92.587 -83.9239  204.179 -115.6304  103.881  171.139   84.476  125.775   61.722 45.36466 104.6226 
1 1 1  -16   24    3 o  209.922   69.001  114.788  116.347  331.951  235.670   44.802  133.788  242.969  111.086  176.876   81.883 66.09320 138.0029 
1 1 1  -16   24    4 o  162.232   54.003   1.1901   87.517  -0.2567  133.098   2.2920  116.159  164.984   78.055  159.481   74.652 5.503586 108.0068 
1 1 1  -16   24    5 o  125.752   43.943 -132.2844   75.363 -109.0035  120.566 -147.2143   96.550  136.594   66.922  114.910   56.968 21.68447 87.88581 
1 1 1  -16   24    6 o  154.208   51.567 -15.6523   81.825 -19.4438  121.029 -12.4601  111.051  155.463   73.806  152.953   72.036 2.509979 103.1331 
1 1 1  -16   24    7 o  165.738   55.003   13.295   90.187   15.638  127.441   10.945  127.645  166.314   77.960  165.162   77.612 1.152222 110.0061 
1 1 1  -16   24    8 o  190.379   88.883   86.354  162.903   0.0000   0.0000   86.354  162.903  ?   ?   190.379   88.883      ?      ? 
1 1 1  -16   24    9 o  150.198   51.859 -56.7680   86.525 -64.1524  100.404 -35.4590  170.558  133.344   64.335  167.053   81.354 -33.70903 103.7183 
1 1 1  -16   24   10 o  158.123   53.374  -7.5075   88.413   25.906  100.778 -119.1598  184.221  158.265   72.464  157.980   78.384 0.2855835 106.7476 
1 1 1  -16   24   11 o  230.407   63.135  213.327   93.256  253.225  106.936   86.619  190.565  272.181   88.167  188.633   90.392 83.54785 126.2701 
1 1 1  -16   24   12 o  172.798   57.111   54.916   87.432   59.439   98.641   38.338  188.848  167.502   74.626  178.093   86.473 -10.59027 114.2216 
1 1 1  -16   25    1 o  167.520   55.394   24.893   90.075   41.635  117.711   1.2383  139.918  169.570   77.888  165.471   78.786 4.099518 110.7872 
1 1 1  -16   25    2 o  205.519   67.522  138.704  120.370  245.610  223.358   94.948  142.895  221.442  103.612  189.595   86.612 31.84682 135.0445 
1 1 1  -16   25    3 f  181.798   83.518   71.762  135.419   0.0000   0.0000   71.762  135.419  ?   ?   181.798   83.518      ?      ? 
1 1 1  -16   25    4 o  163.495   77.501   5.4455  132.465   0.0000   0.0000   5.4455  132.465  ?   ?   163.495   77.501      ?      ? 
1 1 1  -16   25    5 o  184.586   59.837   82.543   99.263  114.860  126.642   31.060  159.842  193.807   85.540  175.365   83.694 18.44165 119.6734 
1 1 1  -16   25    6 o  170.329   56.504   34.599   95.913   68.968  117.773 -33.0868  165.277  176.474   79.833  164.183   79.985 12.29147 113.0085 
1 1 1  -16   25    7 o  187.494   61.154   93.564   99.602   70.281  122.518  138.939  171.040  176.807   80.548  198.182   92.039 -21.37546 122.3077 
1 1 1  -16   25    8 o  152.311   75.241 -95.5506  163.079 -95.5506  163.079   0.0000   0.0000  152.311   75.241  ?   ?       ?      ? 
1 1 1  -15    0    1 o   57.865   23.513   8.2820   11.989   8.2820   11.989   8.2820   11.989   57.865   33.252   57.865   33.252 -0.000000 0.000000 
1 1 1  -15    0    2 f  419.917   17.442  348.772   40.101  348.772   40.101  348.772   40.101  419.917   24.667  419.917   24.667 0.000000 0.000000 
1 1 1  -15    0    3 o  202.302   16.384   83.173   17.671   83.173   17.671   83.173   17.671  202.302   23.170  202.302   23.170 0.000000 0.000000 
1 1 1  -15    0    4 f  999.282   36.368  1991.77  199.353  1991.77  199.353  1991.77  199.353  999.282   51.432  999.282   51.432 0.000000 0.000000 
1 1 1  -15    0    5 o  263.741   16.843  139.414   24.055  139.414   24.055  139.414   24.055  263.741   23.819  263.741   23.819 0.000000 0.000000 
1 1 1  -15    0    6 f  118.827   32.019   37.633   19.770   37.633   19.770   37.633   19.770  118.827   45.282  118.827   45.282 -0.000000 0.000000 
1 1 1  -15    0    7 o  319.869   16.883  203.523   29.421  203.523   29.421  203.523   29.421  319.869   23.876  319.869   23.876 0.000000 0.000000 
1 1 1  -15    0    8 o  1025.85   25.886  2074.99  146.128  2074.99  146.128  2074.99  146.128  1025.85   36.608  1025.85   36.608 0.000000 0.000000 
1 1 1  -15    0    9 o  460.781   17.951  419.353   45.331  419.353   45.331  419.353   45.331  460.781   25.386  460.781   25.386 0.000000 0.000000 
1 1 1  -15    0   10 o  209.072   16.903   88.810   18.844   88.810   18.844   88.810   18.844  209.072   23.904  209.072   23.904 0.000000 0.000000 
1 1 1  -15    0   11 o  1641.88   53.654  5446.73  483.805  5446.73  483.805  5446.73  483.805  1641.88   75.878  1641.88   75.878 -0.000000 0.000000 
1 1 1  -15    0   12 o  619.311   19.781  756.014   67.294  756.014   67.294  756.014   67.294  619.311   27.974  619.311   27.974 -0.000000 0.000000 
1 1 1  -15    0   13 o  162.066   21.606   56.605   17.319   56.605   17.319   56.605   17.319  162.066   30.555  162.066   30.555 0.000000 0.000000 
1 1 1  -15    0   14 o  709.335   21.041  991.925   82.041  991.925   82.041  991.925   82.041  709.335   29.757  709.335   29.757 0.000000 0.000000 
1 1 1  -15    0   15 o  167.548   20.980   59.900   17.585   59.900   17.585   59.900   17.585  167.548   29.670  167.548   29.670 -0.000000 0.000000 
1 1 1  -15    0   16 o  391.294   18.047  303.740   38.592  303.740   38.592  303.740   38.592  391.294   25.523  391.294   25.523 -0.000000 0.000000 
1 1 1  -15    0   17 o  101.352   29.085   28.127   15.941   28.127   15.941   28.127   15.941  101.352   41.132  101.352   41.132 0.000000 0.000000 
1 1 1  -15    0   18 o  177.608   39.107   78.067   33.597   78.067   33.597   78.067   33.597  177.608   55.305  177.608   55.305 0.000000 0.000000 
1 1 1  -15    0   19 o  187.343   23.016   74.846   21.644   74.846   21.644   74.846   21.644  187.343   32.549  187.343   32.549 -0.000000 0.000000 
1 1 1  -15    0   20 f  216.169   21.027   96.871   23.735   96.871   23.735   96.871   23.735  216.169   29.736  216.169   29.736 0.000000 0.000000 
1 1 1  -15    0   21 o  929.389   24.822  1714.47  126.905  1714.47  126.905  1714.47  126.905  929.389   35.104  929.389   35.104 -0.000000 0.000000 
1 1 1  -15    0   22 o  389.051   19.496  302.525   41.377  302.525   41.377  302.525   41.377  389.051   27.572  389.051   27.572 -0.000000 0.000000 
1 1 1  -15    0   23 o  353.482   26.018  256.332   49.497  256.332   49.497  256.332   49.497  353.482   36.795  353.482   36.795 0.000000 0.000000 
1 1 1  -15    0   24 f  388.127   19.886  302.486   42.081  302.486   42.081  302.486   42.081  388.127   28.122  388.127   28.122 0.000000 0.000000 
1 1 1  -15    0   25 o  249.896   21.458  129.153   28.431  129.153   28.431  129.153   28.431  249.896   30.346  249.896   30.346 0.000000 0.000000 
1 1 1  -15    0   26 o  102.819   33.124   31.063   20.396   31.063   20.396   31.063   20.396  102.819   46.845  102.819   46.845 -0.000000 0.000000 
1 1 1  -15    0   27 o  364.091   20.591  268.326   40.766  268.326   40.766  268.326   40.766  364.091   29.120  364.091   29.120 -0.000000 0.000000 
1 1 1  -15    0   28 o  460.273   20.821  427.301   52.393  427.301   52.393  427.301   52.393  460.273   29.445  460.273   29.445 0.000000 0.000000 
1 1 1  -15    0   29 o  414.034   35.922  372.983   78.770  372.983   78.770  372.983   78.770  414.034   50.801  414.034   50.801 0.000000 0.000000 
1 1 1  -15    0   30 o  181.665   58.289  110.434   63.130  110.434   63.130  110.434   63.130  181.665   82.433  181.665   82.433 0.000000 0.000000 
1 1 1  -15    0   31 o  205.618   30.958   97.111   30.876   97.111   30.876   97.111   30.876  205.618   43.781  205.618   43.781 0.000000 0.000000 
1 1 1  -15    0   32 o  236.692   30.803  125.868   36.219  125.868   36.219  125.868   36.219  236.692   43.563  236.692   43.563 -0.000000 0.000000 
1 1 1  -15    0   33 o  345.821   29.177  257.544   53.592  257.544   53.592  257.544   53.592  345.821   41.263  345.821   41.263 0.000000 0.000000 
1 1 1  -15    1    1 o  345.779   23.662  236.090   31.917  228.323   44.466  244.345   45.840  339.909   33.523  351.648   33.405 -11.73944 47.32471 
1 1 1  -15    1    2 o  129.133   18.392   34.035   8.9443   37.679   12.607   30.343   12.692  136.451   24.580  121.814   27.366 14.63651 36.78443 
1 1 1  -15    1    3 o  850.166   22.961  1426.37   76.162  1450.36  109.112  1403.58  106.359  857.089   32.622  843.242   32.322 13.84711 45.92265 
1 1 1  -15    1    4 o  321.203   19.995  200.248   23.710  211.740   41.295  194.596   28.959  327.557   32.306  314.848   23.569 12.70923 39.98970 
1 1 1  -15    1    5 o  333.922   16.562  218.800   21.572  228.171   30.736  209.703   30.284  340.993   23.098  326.850   23.743 14.14389 33.12439 
1 1 1  -15    1    6 o  399.904   24.460  315.953   38.171  317.466   53.789  314.418   54.176  400.899   34.382  398.910   34.802 1.989044 48.92094 
1 1 1  -15    1    7 o  575.355   19.009  650.590   42.677  643.175   59.956  658.206   60.761  572.036   26.858  578.674   26.907 -6.638184 38.01756 
1 1 1  -15    1    8 o  530.057   18.477  551.810   38.213  542.033   53.481  562.009   54.620  525.267   26.091  534.847   26.169 -9.580688 36.95365 
1 1 1  -15    1    9 o  722.687   21.042  1026.08   59.279  985.083   81.549  1072.01   86.320  707.458   29.538  737.916   29.976 -30.45770 42.08424 
1 1 1  -15    1   10 o  990.911   25.295  1939.08   97.765  1898.33  135.640  1983.14  141.040  980.193   35.460  1001.63   36.083 -21.43616 50.59077 
1 1 1  -15    1   11 o  809.858   31.790  1305.18  100.424  1273.18  139.464  1339.65  144.725  799.653   44.692  820.062   45.223 -20.40948 63.58076 
1 1 1  -15    1   12 o  405.343   17.373  322.641   27.481  323.549   38.876  321.734   38.853  405.915   24.542  404.770   24.597 1.145416 34.74698 
1 1 1  -15    1   13 o  200.571   17.877   79.144   13.976   82.550   19.609   75.628   19.924  205.004   24.511  196.138   26.031 8.865723 35.75458 
1 1 1  -15    1   14 o  204.403   17.919   82.132   14.292   82.278   20.095   81.982   20.330  204.598   25.169  204.208   25.512 0.3896942 35.83712 
1 1 1  -15    1   15 o  563.337   19.178  624.653   42.158  618.383   59.236  631.088   60.012  560.481   27.083  566.194   27.161 -5.713684 38.35588 
1 1 1  -15    1   16 o  264.666   18.129  137.967   18.659  152.551   26.580  123.796   26.200  278.571   24.450  250.762   26.774 27.80917 36.25797 
1 1 1  -15    1   17 o  1147.99   28.300  2625.14  126.776  2615.28  178.361  2635.20  180.230  1145.89   39.886  1150.08   40.157 -4.193970 56.59982 
1 1 1  -15    1   18 o  399.564   26.631  317.971   41.478  333.990   58.535  301.815   58.785  409.899   36.594  389.230   38.701 20.66852 53.26252 
1 1 1  -15    1   19 o  306.197   18.605  184.849   22.168  166.692   30.915  204.066   31.804  290.605   27.260  321.790   25.327 -31.18500 37.20987 
1 1 1  -15    1   20 o  529.074   19.451  551.929   40.093  594.904   58.505  513.875   55.054  548.477   27.334  509.671   27.680 38.80597 38.90145 
1 1 1  -15    1   21 o  127.854   25.193   33.512   13.475   22.082   19.176   44.661   18.939  109.014   37.384  146.694   33.781 -37.68008 50.38564 
1 1 1  -15    1   22 o  740.418   22.224  1096.48   64.213  1095.87   90.942  1097.09   90.680  740.181   31.484  740.655   31.373 -0.4735718 44.44714 
1 1 1  -15    1   23 o  490.883   26.678  490.355   51.101  483.972   72.351  496.708   72.185  487.534   38.029  494.232   37.427 -6.697296 53.35675 
1 1 1  -15    1   24 o  247.672   20.459  123.399   19.709  111.926   27.818  134.964   27.929  235.769   30.235  259.576   27.571 -23.80713 40.91822 
1 1 1  -15    1   25 o   65.394   20.517  -7.6682   10.463   3.3267   16.572 -14.9566   13.493   78.054   32.602   52.734   24.919 25.31992 41.03440 
1 1 1  -15    1   26 o  654.367   21.733  867.889   55.490  857.756   77.666  878.456   79.309  650.581   30.591  658.153   30.879 -7.571960 43.46663 
1 1 1  -15    1   27 o  237.832   23.538  115.893   21.830  113.434   31.230  118.242   30.528  235.108   34.038  240.556   32.520 -5.447495 47.07584 
1 1 1  -15    1   28 o  164.003   26.409   58.207   17.962   26.252   25.351   90.421   25.453  117.808   42.743  210.197   31.030 -92.38921 52.81863 
1 1 1  -15    1   29 o  450.040   35.261  454.402   61.803  466.201   85.739  441.642   89.165  458.338   47.936  441.741   51.725 16.59705 70.52150 
1 1 1  -15    1   30 f  305.066   44.127  226.547   51.605  171.199   68.535  299.015   78.421  254.734   67.762  355.398   56.544 -100.6641 88.25464 
1 1 1  -15    1   31 o  429.392   22.030  382.002   36.769  338.865   50.207  431.901   53.999  402.682   31.950  456.102   30.338 -53.41940 44.05923 
1 1 1  -15    1   32 o  631.421   23.226  838.656   57.227  834.430   80.412  842.992   81.461  630.003   32.708  632.839   32.985 -2.835754 46.45235 
1 1 1  -15    1   33 o  240.715   31.515  132.744   28.793  119.501   41.626  144.893   39.869  224.386   48.917  257.045   39.746 -32.65892 63.02930 
1 1 1  -15    2    1 o  123.147   18.381   31.077   8.8019   43.619   12.463   18.594   12.433  149.133   21.414   97.161   29.882 51.97156 36.76286 
1 1 1  -15    2    2 o  654.850   20.036  843.784   51.187  826.043   71.346  862.602   73.481  647.784   28.223  661.917   28.447 -14.13300 40.07241 
1 1 1  -15    2    3 o  510.699   18.219  512.435   36.301  528.326   51.825  497.128   50.863  518.491   25.613  502.907   25.917 15.58444 36.43808 
1 1 1  -15    2    4 o  654.351   24.627  829.956   58.461  891.201  105.652  802.928   70.185  669.946   40.412  638.757   28.157 31.18872 49.25340 
1 1 1  -15    2    5 o  221.549   19.074   85.344   15.277   68.887   17.936  128.826   29.155  187.299   24.539  255.798   29.207 -68.49895 38.14720 
1 1 1  -15    2    6 o  724.039   25.843  1045.24   69.401  1009.61  116.988  1064.59   86.210  712.844   42.055  735.233   30.047 -22.38928 51.68585 
1 1 1  -15    2    7 o  1113.54   27.427  2455.77  119.163  2486.33  170.432  2426.55  166.674  1120.22   38.986  1106.85   38.588 13.37769 54.85380 
1 1 1  -15    2    8 o  784.990   21.966  1213.20   67.266  1243.30   96.678  1184.96   93.652  794.391   31.186  775.589   30.942 18.80121 43.93190 
1 1 1  -15    2    9 o  270.902   16.598  143.959   17.545  142.297   24.607  145.678   25.023  269.316   23.413  272.488   23.532 -3.172333 33.19522 
1 1 1  -15    2   10 o  836.232   22.781  1378.29   74.328  1400.20  106.344  1357.35  103.929  842.698   32.338  829.767   32.096 12.93042 45.56170 
1 1 1  -15    2   11 o  227.226   23.155  101.961   20.506   99.240   29.499  104.505   28.527  224.216   33.713  230.237   31.750 -6.020798 46.31066 
1 1 1  -15    2   12 o  252.542   16.963  125.050   16.683  114.245   23.175  136.673   24.035  241.192   24.622  263.892   23.339 -22.70055 33.92582 
1 1 1  -15    2   13 o  642.404   20.079  811.559   50.306  844.401   72.594  781.217   69.777  654.891   28.405  629.917   28.386 24.97412 40.15718 
1 1 1  -15    2   14 f  448.896   17.953  396.149   31.450  397.217   44.402  395.073   44.552  449.513   25.312  448.278   25.468 1.235016 35.90679 
1 1 1  -15    2   15 f  170.122   19.968   58.053   12.846   67.741   18.393   48.828   17.948  185.600   25.394  154.644   30.823 30.95602 39.93682 
1 1 1  -15    2   16 o  450.142   18.287  398.661   32.109  414.695   45.687  383.011   45.136  459.137   25.498  441.146   26.219 17.99106 36.57314 
1 1 1  -15    2   17 o  837.032   23.041  1384.38   75.201  1344.22  103.793  1428.76  109.105  824.384   32.263  849.681   32.905 -25.29663 46.08283 
1 1 1  -15    2   18 o  534.057   27.919  568.413   58.088  614.748   83.337  524.628   81.010  555.511   38.443  512.602   40.497 42.90820 55.83791 
1 1 1  -15    2   19 o  162.863   22.895   54.405   14.038   57.211   19.915   51.633   19.790  167.265   31.669  158.461   33.072 8.804794 45.78966 
1 1 1  -15    2   20 o  225.423   19.773  100.647   17.341  110.874   24.745   90.778   24.308  236.817   26.776  214.030   29.103 22.78716 39.54679 
1 1 1  -15    2   21 o  327.050   18.862  211.293   24.033  195.928   33.035  228.566   35.027  314.411   26.924  339.688   26.424 -25.27652 37.72407 
1 1 1  -15    2   22 o  356.305   25.204  256.117   35.000  247.738   50.188  264.049   48.835  350.280   36.716  362.329   34.538 -12.04968 50.40733 
1 1 1  -15    2   23 o  272.167   20.222  148.283   21.396  132.398   29.988  164.755   30.537  256.996   29.902  287.339   27.234 -30.34305 40.44476 
1 1 1  -15    2   24 o  288.700   20.817  167.836   23.413  177.676   32.972  157.831   33.250  297.545   28.397  279.856   30.446 17.68881 41.63303 
1 1 1  -15    2   25 o  439.611   20.017  388.185   34.283  376.619   46.906  401.448   50.231  432.847   27.769  446.375   28.836 -13.52777 40.03312 
1 1 1  -15    2   26 o  235.989   22.866  113.151   20.867   94.137   28.760  134.286   30.322  214.457   34.365  257.521   30.173 -43.06404 45.73114 
1 1 1  -15    2   27 f  104.237   27.109   18.845   14.310   20.860   22.347   17.445   18.631  108.626   40.021   99.849   36.579 8.776443 54.21881 
1 1 1  -15    2   28 o  272.446   22.441  152.485   23.800  164.964   33.752  140.145   33.564  284.079   30.446  260.814   32.978 23.26563 44.88264 
1 1 1  -15    2   29 o  128.868   39.687   8.0215   36.597  -5.1380   46.778   28.785   58.759  113.805   50.996  143.931   60.826 -30.12577 79.37466 
1 1 1  -15    2   30 o  378.926   22.020  297.315   32.483  327.352   47.395  270.708   44.607  397.334   30.567  360.518   31.706 36.81549 44.04096 
1 1 1  -15    2   31 o   88.847   26.489   5.9724   15.417  -1.2807   26.123   9.8488   19.097   88.859   39.049   88.835   35.803 0.2401733E-01 52.97775 
1 1 1  -15    2   32 o  286.958   24.783  174.938   27.705  176.550   40.417  173.509   38.052  287.544   36.019  286.372   34.050 1.171875 49.56586 
1 1 1  -15    2   33 o  191.741   33.559   83.240   24.700  111.749   39.866   65.476   31.468  217.155   48.293  166.327   46.612 50.82828 67.11823 
1 1 1  -15    3    1 o  573.536   18.976  646.062   42.444  622.123   58.761  672.177   61.374  562.453   26.772  584.619   26.902 -22.16650 37.95296 
1 1 1  -15    3    2 o  481.911   17.870  456.354   33.602  464.501   47.468  448.171   47.572  486.256   25.015  477.566   25.526 8.690430 35.74033 
1 1 1  -15    3    3 o  403.646   17.191  319.832   27.065  334.750   38.626  305.444   37.935  412.925   23.970  394.367   24.649 18.55829 34.38264 
1 1 1  -15    3    4 o  1108.35   27.484  2434.18  118.838  2482.08  170.705  2389.13  165.539  1118.82   39.098  1097.88   38.638 20.94360 54.96856 
1 1 1  -15    3    5 o  262.928   32.464  136.367   33.310  136.367   33.310   0.0000   0.0000  262.928   32.464  ?   ?       ?      ? 
1 1 1  -15    3    6 o  784.438   26.983  1221.38   78.160  1209.23  133.830  1227.67   96.287  779.583   43.990  789.294   31.261 -9.710876 53.96648 
1 1 1  -15    3    7 o  555.044   18.799  605.119   40.708  591.981   56.837  618.958   58.332  548.868   26.536  561.220   26.634 -12.35193 37.59705 
1 1 1  -15    3    8 o  808.875   22.326  1289.32   70.474  1286.54   99.425  1292.13   99.907  808.008   31.532  809.742   31.617 -1.733887 44.65271 
1 1 1  -15    3    9 o  828.041   22.633  1351.30   73.127  1336.18  102.435  1367.01  104.429  823.353   31.881  832.729   32.135 -9.376099 45.26674 
1 1 1  -15    3   10 o  994.339   51.142  1980.32  198.448   0.0000   0.0000  1980.32  198.448  ?   ?   994.339   51.142      ?      ? 
1 1 1  -15    3   11 o  313.091   20.047  190.811   23.297  186.347   28.652  199.521   40.022  308.127   23.828  318.056   32.245 -9.928894 40.09405 
1 1 1  -15    3   12 o  1274.28   30.433  3231.69  151.319  3205.15  212.083  3259.20  215.964  1269.07   42.824  1279.48   43.253 -10.40442 60.86637 
1 1 1  -15    3   13 o  277.326   17.386  151.358   18.781  160.162   26.367  142.291   26.757  285.597   23.658  269.056   25.484 16.54141 34.77233 
1 1 1  -15    3   14 o  308.130   17.392  186.500   20.907  183.274   29.153  189.916   29.999  305.399   24.462  310.860   24.729 -5.461060 34.78380 
1 1 1  -15    3   15 o  273.910   17.820  147.581   19.041  151.014   26.823  144.093   27.036  277.156   24.800  270.664   25.596 6.492249 35.63983 
1 1 1  -15    3   16 o  482.092   18.514  456.834   34.808  438.088   48.239  477.198   50.277  471.785   26.201  492.400   26.165 -20.61478 37.02838 
1 1 1  -15    3   17 o  464.551   27.206  426.444   48.827  517.896   72.115  349.036   66.347  510.747   36.182  418.356   40.639 92.39090 54.41197 
1 1 1  -15    3   18 o  337.029   26.927  219.594   34.888  183.188   45.083  273.940   55.082  303.235   38.098  370.823   38.064 -67.58786 53.85458 
1 1 1  -15    3   19 o  612.138   20.125  740.790   48.073  749.937   68.144  731.727   67.829  615.930   28.351  608.345   28.572 7.585754 40.25056 
1 1 1  -15    3   20 o  308.331   19.330  188.133   23.252  187.933   32.486  188.342   33.294  308.215   27.010  308.447   27.660 -0.2317810 38.66011 
1 1 1  -15    3   21 o  355.441   18.947  250.383   26.271  246.814   36.536  254.203   37.801  352.875   26.532  358.007   27.057 -5.132233 37.89499 
1 1 1  -15    3   22 o  587.135   39.420  700.476   90.319   0.0000   0.0000  700.476   90.319  ?   ?   587.135   39.420      ?      ? 
1 1 1  -15    3   23 o  851.666   24.025  1464.94   79.797  1516.87  115.351  1417.29  110.504  865.983   34.133  837.348   33.817 28.63458 48.04907 
1 1 1  -15    3   24 o  768.213   22.959  1194.71   68.810  1228.76   98.584  1162.37   96.089  778.911   32.433  757.515   32.505 21.39557 45.91821 
1 1 1  -15    3   25 f  329.953   20.689  220.176   26.565  234.126   37.141  205.566   38.012  341.172   27.897  318.733   30.560 22.43866 41.37835 
1 1 1  -15    3   26 o  454.485   20.515  417.140   36.338  415.172   50.081  419.328   52.806  453.737   28.284  455.232   29.724 -1.495148 41.03077 
1 1 1  -15    3   27 o  310.100   21.483  194.920   25.952  181.099   35.608  210.578   37.902  298.329   30.586  321.872   30.175 -23.54254 42.96524 
1 1 1  -15    3   28 f  163.100   28.107   57.935   17.677   62.215   26.216   54.366   23.938  168.423   40.405  157.777   39.082 10.64508 56.21326 
1 1 1  -15    3   29 o  494.062   37.126  561.487   69.638  585.130   90.672  527.484  108.737  516.380   44.996  471.744   59.066 44.63629 74.25243 
1 1 1  -15    3   30 o  347.848   22.653  251.680   30.679  229.624   42.214  276.368   44.663  331.310   32.650  364.386   31.409 -33.07672 45.30531 
1 1 1  -15    3   31 f  109.696   28.891   21.877   17.434   4.2914   28.383   32.533   22.093   96.684   41.607  122.708   40.094 -26.02415 57.78155 
1 1 1  -15    3   32 o  298.915   25.238  190.909   29.379  183.471   42.271  197.860   40.862  292.275   37.062  305.555   34.268 -13.27972 50.47657 
1 1 1  -15    3   33 o  459.241   39.767  463.582   71.268   0.0000   0.0000  463.582   71.268  ?   ?   459.241   39.767      ?      ? 
1 1 1  -15    4    1 o  459.886   17.798  415.441   31.934  414.655   44.664  416.264   45.675  459.472   24.909  460.300   25.428 -0.8273621 35.59555 
1 1 1  -15    4    2 o  145.231   20.949   43.625   11.296   37.279   18.286   47.541   14.364  134.830   34.586  155.632   23.651 -20.80205 41.89890 
1 1 1  -15    4    3 o  175.008   16.210   60.623   10.901   73.145   15.481   48.306   15.354  193.189   20.534  156.827   25.088 36.36288 32.42035 
1 1 1  -15    4    4 o  262.290   19.447  118.710   18.092   98.670   20.938  177.752   35.940  224.212   23.931  300.368   30.662 -76.15631 38.89476 
1 1 1  -15    4    5 o  645.646   39.857  826.537  100.424   0.0000   0.0000  826.537  100.424  ?   ?   645.646   39.857      ?      ? 
1 1 1  -15    4    6 o  795.037   22.216  1245.61   68.924  1245.96   96.977  1245.25   97.977  795.192   31.251  794.883   31.586 0.3090820 44.43284 
1 1 1  -15    4    7 o  286.445   16.414  160.554   18.319  149.054   25.257  173.321   26.611  275.631   23.481  297.259   22.940 -21.62875 32.82726 
1 1 1  -15    4    8 o  319.045   16.892  199.057   20.993  184.460   28.788  215.635   30.679  306.583   24.062  331.507   23.714 -24.92355 33.78407 
1 1 1  -15    4    9 o  254.436   17.116  126.726   16.973  119.779   23.314  134.558   24.757  247.039   24.184  261.833   24.229 -14.79395 34.23296 
1 1 1  -15    4   10 o  482.926   35.698  461.010   67.276   0.0000   0.0000  461.010   67.276  ?   ?   482.926   35.698      ?      ? 
1 1 1  -15    4   11 f  275.322   17.077  148.703   18.338  145.353   25.429  152.332   26.471  272.108   23.947  278.535   24.353 -6.427155 34.15459 
1 1 1  -15    4   12 o  618.519   19.767  752.904   47.708  750.449   67.044  755.422   67.903  617.523   27.821  619.515   28.087 -1.991821 39.53335 
1 1 1  -15    4   13 o  684.398   20.726  923.008   55.353  934.081   78.438  912.022   78.126  688.514   29.193  680.282   29.429 8.232117 41.45250 
1 1 1  -15    4   14 o  184.211   19.064   66.699   13.687   62.096   19.010   71.653   19.721  177.593   27.430  190.829   26.482 -13.23621 38.12764 
1 1 1  -15    4   15 o  412.955   18.023  335.424   29.040  335.029   40.666  335.834   41.483  412.738   25.248  413.172   25.728 -0.4332275 36.04692 
1 1 1  -15    4   16 o  414.716   18.115  337.713   29.228  376.209   42.325  302.618   40.412  437.371   24.798  392.061   26.413 45.31003 36.22973 
1 1 1  -15    4   17 o  696.638   30.490  971.373   82.850  998.785  116.741  943.558  117.599  706.860   42.321  686.415   43.902 20.44446 60.97929 
1 1 1  -15    4   18 o  747.031   21.876  1099.37   63.591  1039.69   86.033  1171.24   94.412  724.966   30.410  769.097   31.457 -44.13159 43.75263 
1 1 1  -15    4   19 o  384.704   18.854  292.334   28.274  293.797   39.139  290.737   40.891  385.825   25.995  383.583   27.317 2.242096 37.70881 
1 1 1  -15    4   20 o  515.611   28.078  526.900   56.496   0.0000   0.0000  526.900   56.496  ?   ?   515.611   28.078      ?      ? 
1 1 1  -15    4   21 o  285.249   19.585  161.604   21.779  161.030   30.113  162.233   31.537  284.828   27.092  285.670   28.289 -0.8423767 39.16912 
1 1 1  -15    4   22 o  509.438   37.348  526.045   74.249   0.0000   0.0000  526.045   74.249  ?   ?   509.438   37.348      ?      ? 
1 1 1  -15    4   23 o  284.422   20.686  162.349   22.940  165.000   31.947  159.527   32.961  287.012   28.523  281.833   29.969 5.178741 41.37292 
1 1 1  -15    4   24 o  222.645   22.176  100.476   19.214   93.166   27.383  107.566   26.967  214.297   32.744  230.994   29.916 -16.69662 44.35235 
1 1 1  -15    4   25 f  408.274   20.406  336.019   32.434  334.512   44.337  337.755   47.571  407.737   27.865  408.812   29.819 -1.074768 40.81189 
1 1 1  -15    4   26 o  304.500   22.108  189.105   26.166  201.826   36.368  175.454   37.674  315.819   29.508  293.182   32.929 22.63712 44.21593 
1 1 1  -15    4   27 o  387.108   21.778  304.214   32.771  292.455   44.127  318.675   48.937  379.320   29.810  394.896   31.756 -15.57520 43.55549 
1 1 1  -15    4   28 o   93.049   27.870   8.0515   14.674 -11.4438   36.568   11.793   16.020   98.484   44.525   87.613   33.534 10.87156 55.74044 
1 1 1  -15    4   29 o  278.038   42.502  167.514   33.781  158.199   36.556  221.962   88.383  274.857   34.082  281.220   77.873 -6.362915 85.00430 
1 1 1  -15    4   30 o  333.442   23.045  232.464   29.905  255.579   42.982  210.776   41.634  350.273   31.445  316.610   33.697 33.66336 46.08973 
1 1 1  -15    4   31 f  370.430   22.935  287.558   33.148  282.751   46.955  292.333   46.802  367.071   32.780  373.789   32.086 -6.717896 45.86924 
1 1 1  -15    4   32 o  187.146   33.903   90.096   27.063   44.250   46.741  113.215   33.192  144.830   56.777  229.461   37.068 -84.63103 67.80608 
1 1 1  -15    5    1 o  428.778   21.485  371.974   34.263  399.318   43.393  326.696   55.838  450.968   24.657  406.587   35.192 44.38071 42.97049 
1 1 1  -15    5    2 o  617.667   27.138  752.917   65.236  680.129   89.566  835.162   95.207  585.793   39.180  649.542   37.560 -63.74939 54.27591 
1 1 1  -15    5    3 o  752.763   26.696  1102.08   72.463  1071.38   86.654  1173.47  132.144  737.602   30.105  767.925   44.096 -30.32269 53.39221 
1 1 1  -15    5    4 o  553.420   23.160  554.900   44.751  501.165   51.635  717.084   89.706  505.049   26.199  601.791   38.198 -96.74185 46.31927 
1 1 1  -15    5    5 o  929.907   48.792  1727.68  177.062   0.0000   0.0000  1727.68  177.062  ?   ?   929.907   48.792      ?      ? 
1 1 1  -15    5    6 o  1063.81   26.759  2238.22  111.047  2297.80  159.656  2182.39  154.557  1077.46   37.971  1050.15   37.714 27.30811 53.51787 
1 1 1  -15    5    7 o  277.058   17.194  150.806   18.568  154.564   25.857  146.806   26.681  280.671   23.608  273.445   25.004 7.226135 34.38768 
1 1 1  -15    5    8 f  154.879   19.412   47.942   11.465   48.409   15.786   47.420   16.681  156.989   25.767  152.770   29.041 4.218994 38.82424 
1 1 1  -15    5    9 f  552.725   26.907  600.510   58.038   0.0000   0.0000  600.510   58.038  ?   ?   552.725   26.907      ?      ? 
1 1 1  -15    5   10 o  316.308   19.358  183.693   22.667  158.667   27.318  239.003   40.613  284.258   24.627  348.357   29.875 -64.09872 38.71680 
1 1 1  -15    5   11 o  307.117   17.374  185.769   20.724  206.959   29.362  164.734   29.254  324.729   23.171  289.505   25.894 35.22464 34.74730 
1 1 1  -15    5   12 o  311.160   17.273  190.439   20.903  210.085   29.751  171.287   29.374  327.122   23.306  295.197   25.499 31.92520 34.54504 
1 1 1  -15    5   13 o  401.788   17.723  317.329   27.783  317.517   38.903  317.134   39.691  401.940   24.803  401.636   25.324 0.3033447 35.44643 
1 1 1  -15    5   14 o  1202.07   29.234  2876.91  137.083  2930.75  197.122  2826.49  190.764  1212.77   41.651  1191.37   41.032 21.40125 58.46711 
1 1 1  -15    5   15 o  384.855   18.039  291.552   27.067  305.967   38.276  277.133   38.280  394.455   24.866  375.256   26.141 19.19907 36.07814 
1 1 1  -15    5   16 o  104.572   22.941   21.552   10.328   21.329   14.994   21.754   14.246  104.449   32.929  104.696   31.950 -0.2465134 45.88130 
1 1 1  -15    5   17 o  279.927   29.105  155.443   30.550  152.572   38.104  160.610   51.117  277.210   35.223  282.643   46.344 -5.432892 58.21051 
1 1 1  -15    5   18 f  548.729   19.528  594.552   41.804  613.203   59.325  576.155   58.918  557.357   27.275  540.101   27.954 17.25580 39.05585 
1 1 1  -15    5   19 o  245.236   19.972  118.939   19.097  112.214   26.634  126.055   27.396  238.054   28.670  252.417   27.813 -14.36345 39.94372 
1 1 1  -15    5   20 o  398.674   19.174  315.169   29.778  338.069   42.276  292.620   41.951  413.257   26.215  384.091   27.988 29.16568 38.34777 
1 1 1  -15    5   21 o  260.059   20.025  134.433   20.308  130.307   28.082  138.955   29.403  255.918   28.119  264.201   28.519 -8.282822 40.04988 
1 1 1  -15    5   22 o  159.962   27.011   58.620   20.543  -3.9774   33.844   95.137   25.849  102.047   44.655  217.878   30.402 -115.8309 54.02157 
1 1 1  -15    5   23 o  504.055   20.365  510.350   40.002  524.328   55.649  495.406   57.542  511.644   27.872  496.465   29.700 15.17932 40.73008 
1 1 1  -15    5   24 o  183.166   23.349   67.955   16.228   81.189   24.855   58.122   21.424  200.153   31.821  166.179   34.177 33.97403 46.69782 
1 1 1  -15    5   25 o  261.296   22.671  138.632   23.103  133.518   32.005  144.196   33.383  256.291   32.000  266.302   32.124 -10.01022 45.34264 
1 1 1  -15    5   26 o  461.475   21.190  430.160   37.997  415.245   51.077  448.642   56.857  453.169   28.882  469.782   31.014 -16.61349 42.37988 
1 1 1  -15    5   27 o  260.225   23.530  139.249   23.878  133.003   33.631  145.599   33.909  254.081   33.918  266.369   32.622 -12.28827 47.05977 
1 1 1  -15    5   28 o  327.760   46.087  256.980   50.306  251.285   58.150  273.921  100.295  340.803   43.724  314.717   81.143 26.08572 92.17355 
1 1 1  -15    5   29 o  198.788   40.664  102.360   30.395  108.827   32.629   59.915   83.590  226.384   36.934  171.192   72.458 55.19206 81.32830 
1 1 1  -15    5   30 o  163.032   30.745   59.137   19.465   68.186   31.783   53.706   24.623  171.466   46.379  154.597   40.375 16.86905 61.49088 
1 1 1  -15    5   31 o  337.732   30.893  244.518   37.823  275.967   68.459  230.700   45.378  345.849   50.724  329.616   35.278 16.23303 61.78533 
1 1 1  -15    5   32 o  507.358   30.924  562.974   59.998  636.734   96.774  516.920   76.468  529.013   46.877  485.703   40.344 43.31070 61.84718 
1 1 1  -15    6    1 o  402.963   21.700  337.291   32.091  390.027   41.245  256.389   51.085  445.828   23.707  360.097   36.353 85.73093 43.40036 
1 1 1  -15    6    2 o  512.271   26.531  518.859   52.919  512.848   72.271  525.807   77.700  509.293   36.363  515.249   38.643 -5.956238 53.06233 
1 1 1  -15    6    3 o  752.653   44.261  1127.06  130.002   0.0000   0.0000  1127.06  130.002  ?   ?   752.653   44.261      ?      ? 
1 1 1  -15    6    4 o  222.996   25.043   95.306   20.899   77.928   26.513  123.817   33.960  195.591   36.065  250.400   34.754 -54.80984 50.08519 
1 1 1  -15    6    5 o  145.657   23.111   27.958   11.000   17.134   12.105   79.257   26.352   93.916   29.584  197.398   35.514 -103.4813 46.22231 
1 1 1  -15    6    6 f  509.390   23.143  486.535   41.590  455.683   48.579  571.222   80.485  481.655   25.845  537.125   38.398 -55.47058 46.28598 
1 1 1  -15    6    7 o  708.247   20.943  987.398   57.882  995.054   81.897  979.758   81.818  711.011   29.516  705.484   29.719 5.528015 41.88563 
1 1 1  -15    6    8 o  1005.92   31.626  2011.93  116.763  2022.97  203.037  2006.47  142.725  1004.54   51.793  1007.30   36.309 -2.755005 63.25246 
1 1 1  -15    6    9 o  748.882   42.897  1115.38  125.365   0.0000   0.0000  1115.38  125.365  ?   ?   748.882   42.897      ?      ? 
1 1 1  -15    6   10 o  375.406   17.480  277.094   25.580  287.869   35.881  265.956   36.479  382.905   24.012  367.906   25.408 14.99915 34.95969 
1 1 1  -15    6   11 f  251.543   17.508  124.191   17.149  122.541   23.423  126.097   25.176  249.794   24.028  253.292   25.470 -3.497116 35.01589 
1 1 1  -15    6   12 o  542.261   18.932  578.536   40.059  577.566   56.275  579.534   57.036  541.827   26.615  542.696   26.931 -0.8690186 37.86357 
1 1 1  -15    6   13 o  272.674   18.227  144.378   19.243  122.313   25.748  172.290   28.960  249.319   26.465  296.030   25.069 -46.71092 36.45305 
1 1 1  -15    6   14 o  547.304   19.328  589.858   41.266  587.700   57.587  592.136   59.164  546.334   27.011  548.273   27.652 -1.939331 38.65510 
1 1 1  -15    6   15 o  330.824   18.403  213.992   23.678  197.426   31.946  234.188   35.273  316.729   25.846  344.918   26.206 -28.18893 36.80681 
1 1 1  -15    6   16 o  176.378   34.186   70.817   23.927   83.401   27.638   33.160   47.809  201.992   36.401  150.764   57.878 51.22833 68.37271 
1 1 1  -15    6   17 o   90.630   22.537   14.155   9.7695   15.950   15.222   12.899   12.739   95.038   33.267   86.222   30.414 8.816719 45.07444 
1 1 1  -15    6   18 o  290.600   19.446  165.406   21.956  148.654   29.532  186.109   32.831  274.280   27.591  306.920   27.411 -32.63986 38.89240 
1 1 1  -15    6   19 o  351.273   19.341  243.846   26.476  236.906   36.315  251.721   38.681  346.030   26.893  356.516   27.803 -10.48602 38.68123 
1 1 1  -15    6   20 o  629.756   20.857  787.001   51.172  851.698   74.394  728.900   70.500  654.406   29.131  605.106   29.856 49.29950 41.71313 
1 1 1  -15    6   21 o  366.171   25.928  272.272   36.766  258.568   54.595  283.646   49.735  356.790   39.211  375.552   33.936 -18.76147 51.85700 
1 1 1  -15    6   22 o  634.812   21.341  809.132   52.831  838.414   74.465  779.455   74.966  646.772   29.503  622.852   30.842 23.92065 42.68143 
1 1 1  -15    6   23 o  103.877   24.895   16.751   11.705   33.135   20.794   9.1510   14.162  126.328   38.610   81.426   31.436 44.90200 49.78912 
1 1 1  -15    6   24 o  201.421   24.382   83.736   18.706   93.162   27.158   75.227   25.803  214.106   32.504  188.737   36.351 25.36856 48.76440 
1 1 1  -15    6   25 o  313.419   21.552  199.981   26.204  220.691   36.699  178.438   37.429  330.810   28.427  296.028   32.400 34.78162 43.10303 
1 1 1  -15    6   26 o  146.909   26.846   40.427   15.561   72.210   26.727   24.127   19.140  183.372   38.571  110.446   37.352 72.92594 53.69294 
1 1 1  -15    6   27 o  229.688   26.410  112.394   22.847   95.627   32.654  128.472   31.978  209.522   41.405  249.854   32.797 -40.33159 52.82032 
1 1 1  -15    6   28 o  382.468   47.475  371.368   59.344  384.630   69.695  336.400  113.171  422.026   42.318  342.909   84.998 79.11649 94.94971 
1 1 1  -15    6   29 o  116.740   37.219   7.9377   25.894   12.767   27.393 -32.5975   79.362  103.338   42.418  130.141   61.169 -26.80350 74.43739 
1 1 1  -15    6   30 o  195.458   30.671   87.891   22.574   79.382   34.980   93.963   29.551  184.007   48.155  206.909   37.999 -22.90144 61.34182 
1 1 1  -15    6   31 f  201.147   35.762   90.711   24.887  108.651   51.567   85.263   28.416  205.978   60.300  196.316   38.467 9.662872 71.52447 
1 1 1  -15    6   32 o  118.453   35.029   14.321   18.876   43.822   53.742   10.170   20.160  146.604   59.707   90.302   36.648 56.30241 70.05742 
1 1 1  -15    7    1 o  323.963   23.687  214.928   26.498  225.061   31.378  189.740   49.474  338.673   23.742  309.253   40.995 29.41949 47.37346 
1 1 1  -15    7    2 o  548.907   22.322  549.739   44.061  488.786   51.800  709.244   83.795  498.744   26.615  599.070   35.844 -100.3266 44.64421 
1 1 1  -15    7    3 o  497.025   35.762  488.170   69.364   0.0000   0.0000  488.170   69.364  ?   ?   497.025   35.762      ?      ? 
1 1 1  -15    7    4 o  1179.48   34.161  2754.17  149.105  2703.98  183.118  2852.93  256.857  1167.81   40.181  1191.15   55.258 -23.33081 68.32257 
1 1 1  -15    7    5 o  240.656   19.995  102.623   16.716   90.922   19.182  139.565   34.082  215.303   22.830  266.010   32.832 -50.70741 39.98947 
1 1 1  -15    7    6 o  756.961   25.815  1129.30   72.640  1120.58   89.843  1145.78  123.441  754.273   30.523  759.650   41.640 -5.377686 51.62899 
1 1 1  -15    7    7 o  340.184   25.637  229.443   33.942  244.025   47.452  214.165   48.572  351.484   34.595  328.884   37.845 22.59937 51.27439 
1 1 1  -15    7    8 o  238.715   40.954  130.778   31.625  140.587   34.660   82.017   77.281  266.868   33.281  210.562   74.841 56.30641 81.90775 
1 1 1  -15    7    9 o  526.651   24.898  552.491   46.149  557.955   54.725  539.040   85.868  532.740   26.323  520.562   42.269 12.17761 49.79551 
1 1 1  -15    7   10 o  563.932   19.547  626.182   42.992  638.494   60.181  613.350   61.437  569.695   27.070  558.170   28.205 11.52551 39.09376 
1 1 1  -15    7   11 o  258.702   17.452  131.888   17.532  135.814   23.857  127.278   25.849  263.003   23.245  254.401   26.037 8.601364 34.90368 
1 1 1  -15    7   12 o  738.194   21.666  1073.60   62.346  1040.82   85.777  1110.31   90.778  726.370   30.261  750.019   31.015 -23.64874 43.33204 
1 1 1  -15    7   13 o  670.348   20.825  884.761   54.401  860.074   74.602  912.798   79.502  660.500   28.943  680.196   29.951 -19.69611 41.65052 
1 1 1  -15    7   14 o  203.135   19.699   81.994   15.480   90.972   21.419   72.179   22.397  215.033   25.525  191.237   30.011 23.79582 39.39833 
1 1 1  -15    7   15 o  276.898   31.456  164.377   25.768  170.005   28.897  142.531   56.931  293.932   25.193  259.865   57.648 34.06720 62.91223 
1 1 1  -15    7   16 o  254.011   30.135   98.837   25.145   72.748   28.034  206.231   56.878  187.633   39.533  320.389   45.492 -132.7568 60.26960 
1 1 1  -15    7   17 o  267.771   19.642  140.310   20.411  122.087   27.523  162.580   30.426  248.559   28.375  286.984   27.168 -38.42484 39.28434 
1 1 1  -15    7   18 o  752.080   22.411  1122.36   65.729  1179.49   94.756  1069.38   91.253  770.581   31.510  733.580   31.876 37.00116 44.82189 
1 1 1  -15    7   19 o  464.763   19.464  428.606   35.264  447.130   49.602  409.673   50.145  475.129   26.752  454.396   28.279 20.73325 38.92767 
1 1 1  -15    7   20 o  367.921   19.966  269.787   28.564  275.673   39.051  263.014   41.890  372.582   26.858  363.260   29.550 9.321960 39.93214 
1 1 1  -15    7   21 o  390.765   34.560  308.212   52.701   0.0000   0.0000  308.212   52.701  ?   ?   390.765   34.560      ?      ? 
1 1 1  -15    7   22 o  237.275   22.761  113.411   21.050  106.429   29.060  121.118   30.533  229.545   32.441  245.004   31.935 -15.45847 45.52186 
1 1 1  -15    7   23 o   69.282   20.961   1.7605   9.1620  -9.2537   19.374   4.9333   10.398   71.639   32.396   66.926   26.607 4.712921 41.92167 
1 1 1  -15    7   24 o  184.845   25.542   71.973   17.976   62.762   26.053   80.343   24.834  170.839   39.816  198.851   32.003 -28.01123 51.08324 
1 1 1  -15    7   25 o  253.178   22.404  130.326   22.127  134.551   31.806  126.364   30.803  257.147   31.696  249.208   31.673 7.938660 44.80874 
1 1 1  -15    7   26 o  356.679   22.336  257.341   30.937  232.839   41.391  288.357   46.569  337.719   31.407  375.639   31.768 -37.91980 44.67205 
1 1 1  -15    7   27 o  268.837   29.375  160.429   28.526  135.080   45.336  177.041   36.701  244.492   49.220  293.181   32.079 -48.68829 58.75095 
1 1 1  -15    7   28 o  136.851   36.035   39.875   27.482   57.427   28.733 -148.6148   94.157  159.188   44.515  114.514   56.680 44.67424 72.07040 
1 1 1  -15    7   29 o  135.495   40.405   28.346   27.965   30.633   29.786   11.342   81.225  124.217   46.119  146.773   66.357 -22.55593 80.80944 
1 1 1  -15    7   30 o  151.963   27.875   35.304   16.175   97.236   33.197   16.023   18.523  207.814   42.371   96.112   36.232 111.7021 55.75037 
1 1 1  -15    7   31 o  589.042   48.244  792.673  110.897  792.673  110.897   0.0000   0.0000  589.042   48.244  ?   ?       ?      ? 
1 1 1  -15    7   32 o  144.480   37.947   32.495   19.534   83.723   59.364   26.275   20.686  176.967   65.224  111.992   38.804 64.97508 75.89391 
1 1 1  -15    8    1 o  187.809   26.195   88.940   17.111  113.187   20.454   32.415   31.230  240.277   21.814  135.341   47.633 104.9352 52.39064 
1 1 1  -15    8    2 o  785.560   30.562  1226.91   93.672  1202.38  132.620  1251.33  132.324  777.560   43.706  793.561   42.729 -16.00067 61.12310 
1 1 1  -15    8    3 o  212.959   27.062   92.901   21.609  116.336   30.476   69.209   30.643  242.911   32.150  183.007   43.539 59.90460 54.12307 
1 1 1  -15    8    4 o  631.960   23.873  772.506   55.111  744.774   66.514  833.234   98.428  615.419   27.696  648.502   38.893 -33.08295 47.74667 
1 1 1  -15    8    5 o  481.855   21.607  462.444   37.988  472.146   46.439  442.821   66.044  490.427   24.265  473.283   35.758 17.14331 43.21397 
1 1 1  -15    8    6 o  576.097  114.289  753.024  247.869   0.0000   0.0000  753.024  247.869  ?   ?   576.097  114.289      ?      ? 
1 1 1  -15    8    7 o  263.844   37.467  129.354   22.445  126.492   23.474  159.853   76.634  253.849   23.696  273.839   71.088 -19.99010 74.93370 
1 1 1  -15    8    8 o  519.419   26.218  530.420   53.143  530.420   53.143   0.0000   0.0000  519.419   26.218  ?   ?       ?      ? 
1 1 1  -15    8    9 o  749.845   26.012  1103.02   71.876  1081.17   87.819  1147.36  125.095  740.510   30.390  759.180   42.224 -18.67010 52.02327 
1 1 1  -15    8   10 o  655.980   25.062  861.440   60.864  883.502   75.604  820.810  102.598  669.633   28.932  642.327   40.931 27.30597 50.12370 
1 1 1  -15    8   11 o  300.872   29.117  210.448   27.668  249.064   33.408  126.133   49.365  356.039   24.045  245.705   53.038 110.3344 58.23434 
1 1 1  -15    8   12 o  438.031   23.683  372.796   36.706  363.762   43.316  395.809   69.131  430.005   25.813  446.058   39.714 -16.05310 47.36607 
1 1 1  -15    8   13 o  347.263   19.004  237.631   25.616  239.159   34.553  235.766   38.169  348.673   25.394  345.853   28.280 2.819733 38.00853 
1 1 1  -15    8   14 o  433.595   19.630  367.245   32.972  344.793   43.578  397.310   50.428  418.399   26.690  448.790   28.793 -30.39133 39.26066 
1 1 1  -15    8   15 o  482.707   30.434  469.728   55.198  479.162   69.732  453.897   90.329  490.993   36.393  474.421   48.790 16.57202 60.86842 
1 1 1  -15    8   16 o  505.117   19.598  504.099   38.551  510.121   53.033  497.352   56.139  508.525   26.724  501.708   28.674 6.817169 39.19647 
1 1 1  -15    8   17 o  364.692   19.311  261.847   27.342  253.338   36.604  272.586   41.124  358.204   26.186  371.180   28.391 -12.97568 38.62286 
1 1 1  -15    8   18 o  693.628   31.735  957.709   85.900   0.0000   0.0000  957.709   85.900  ?   ?   693.628   31.735      ?      ? 
1 1 1  -15    8   19 o  299.290   20.547  176.177   23.859  158.095   31.781  199.530   36.117  281.927   28.887  316.652   29.228 -34.72546 41.09408 
1 1 1  -15    8   20 o  360.315   26.561  262.582   36.686  265.203   57.576  260.791   47.599  360.590   40.916  360.040   33.878 0.5498962 53.12120 
1 1 1  -15    8   21 o  337.298   19.965  228.392   26.162  239.524   35.949  215.857   38.146  346.538   26.583  328.059   29.797 18.47852 39.93097 
1 1 1  -15    8   22 o  125.884   25.559   32.507   12.991   37.127   20.743   29.525   16.663  132.758   38.067  119.009   34.116 13.74831 51.11801 
1 1 1  -15    8   23 o  272.422   21.413  150.230   22.709  161.661   32.091  138.763   32.141  283.199   29.037  261.645   31.479 21.55380 42.82610 
1 1 1  -15    8   24 o  228.298   24.300  107.411   20.900  130.400   30.615   87.345   28.603  253.551   30.941  203.046   37.479 50.50601 48.60028 
1 1 1  -15    8   25 o  184.204   27.336   75.052   19.086   54.992   29.414   89.640   25.083  158.390   45.304  210.017   30.605 -51.62698 54.67289 
1 1 1  -15    8   26 o  561.842   23.149  649.166   50.318  651.981   67.090  645.546   76.074  565.181   30.418  558.503   34.904 6.677063 46.29873 
1 1 1  -15    8   27 o  334.633   51.396  246.218   48.705  227.015   52.534  363.723  129.952  325.307   41.383  343.958   94.094 -18.65079 102.7918 
1 1 1  -15    8   28 o  103.771   27.638   18.057   13.853   22.403   27.008   16.505   16.137  113.117   43.484   94.426   34.126 18.69141 55.27563 
1 1 1  -15    8   29 o  363.409   22.777  276.168   32.300  274.036   45.735  278.290   45.624  361.878   32.386  364.941   32.036 -3.063599 45.55368 
1 1 1  -15    8   30 o  199.114   30.664   97.309   23.986   51.659   37.388  129.239   31.269  149.876   52.155  248.352   32.263 -98.47523 61.32757 
1 1 1  -15    8   31 o  116.378   31.295   16.743   16.336   49.600   37.284   8.9366   18.173  146.762   52.003   85.995   34.832 60.76721 62.59040 
1 1 1  -15    9    1 o  421.216   49.481  444.369   58.964  255.888  127.079  496.080   66.563  341.203   92.927  501.228   34.030 -160.0248 98.96221 
1 1 1  -15    9    2 o  515.479   25.579  525.274   51.403  520.073   70.958  531.019   74.566  512.932   35.450  518.026   36.885 -5.093628 51.15873 
1 1 1  -15    9    3 o  698.842   39.694  968.678  108.251   0.0000   0.0000  968.678  108.251  ?   ?   698.842   39.694      ?      ? 
1 1 1  -15    9    4 o  178.049   25.550   68.462   14.906   72.803   17.116   54.827   30.333  192.634   22.768  163.465   45.747 29.16858 51.10009 
1 1 1  -15    9    5 o  1020.84   36.663  2083.80  145.744  1952.99  198.517  2236.73  214.655  986.383   51.573  1055.29   52.124 -68.90710 73.32569 
1 1 1  -15    9    6 f  318.949   43.277  285.372   32.091  306.526   34.041  116.514   96.179  395.293   22.068  242.604   83.694 152.6899 86.55452 
1 1 1  -15    9    7 o  381.620   46.920  304.491   36.966  304.795   38.577  301.078  129.292  393.836   25.100  369.403   90.420 24.43329 93.83926 
1 1 1  -15    9    8 o  256.272   26.338  130.534   21.623  129.185   24.689  134.980   44.806  256.409   24.674  256.135   46.540 0.2742920 52.67644 
1 1 1  -15    9    9 o  639.120   25.076  798.104   58.100  780.210   69.875  838.188  104.582  629.338   28.451  648.902   41.300 -19.56390 50.15127 
1 1 1  -15    9   10 o  129.440   30.278   26.448   12.365   25.052   13.056   38.599   38.522  110.813   29.622  148.068   52.817 -37.25484 60.55694 
1 1 1  -15    9   11 o  1025.03   31.926  1959.69  113.490  1807.11  130.874  2422.32  227.888  955.068   35.114  1094.99   53.331 -139.9248 63.85289 
1 1 1  -15    9   12 o  364.594   26.239  257.924   31.579  252.784   35.928  275.378   66.211  358.430   25.686  370.757   45.763 -12.32721 52.47842 
1 1 1  -15    9   13 o  358.546   27.059  262.943   31.706  269.483   36.340  242.094   64.881  370.085   25.163  347.006   47.912 23.07889 54.11776 
1 1 1  -15    9   15 o  321.636   27.908  173.508   27.396  156.357   29.864  264.589   68.820  281.502   27.186  361.770   48.748 -80.26761 55.81565 
1 1 1  -15    9   16 o  467.970   27.981  447.634   43.539  456.546   50.235  420.733   87.281  480.805   26.774  455.136   49.141 25.66888 55.96167 
1 1 1  -15    9   17 o  486.129   54.301  487.476  103.013   0.0000   0.0000  487.476  103.013  ?   ?   486.129   54.301      ?      ? 
1 1 1  -15    9   18 o  265.448   20.946  139.139   21.616  125.594   29.197  155.568   32.155  251.231   29.780  279.665   29.463 -28.43442 41.89209 
1 1 1  -15    9   19 o  403.673   26.689  318.467   40.864  377.596   68.098  285.194   51.084  430.870   40.500  376.476   34.771 54.39383 53.37864 
1 1 1  -15    9   20 o  173.243   22.954   61.012   15.165   70.224   22.326   53.122   20.663  187.105   30.576  159.380   34.242 27.72549 45.90702 
1 1 1  -15    9   21 o  287.799   20.897  166.444   23.438  166.241   32.320  166.669   34.038  287.832   28.774  287.767   30.310 0.6536865E-01 41.79342 
1 1 1  -15    9   22 o  316.260   20.704  202.074   25.464  210.634   35.109  192.572   36.989  323.845   27.781  308.676   30.707 15.16901 41.40888 
1 1 1  -15    9   23 o  220.581   24.531  100.752   20.468   85.412   28.415  117.294   29.507  200.754   37.654  240.409   31.452 -39.65472 49.06168 
1 1 1  -15    9   24 o  549.665   33.910  618.528   72.738   0.0000   0.0000  618.528   72.738  ?   ?   549.665   33.910      ?      ? 
1 1 1  -15    9   25 o  236.591   25.780  119.021   22.802  101.344   33.498  134.285   31.128  216.598   41.135  256.585   31.087 -39.98709 51.56055 
1 1 1  -15    9   26 o  160.551   49.952   28.412   28.723   26.028   29.364   81.243  138.226  120.541   45.577  200.561   88.901 -80.02007 99.90302 
1 1 1  -15    9   27 o  271.090   47.565  217.896   39.601  227.044   41.669  132.522  127.296  330.594   32.299  211.587   89.478 119.0065 95.12934 
1 1 1  -15    9   28 o  199.434   27.905   86.413   20.567   96.043   32.959   80.271   26.320  206.949   42.241  191.919   36.476 15.03026 55.81055 
1 1 1  -15    9   29 o  172.297   30.174   68.571   19.639   62.256   33.485   71.882   24.247  162.931   48.820  181.663   35.476 -18.73248 60.34804 
1 1 1  -15    9   30 f  392.835   24.841  327.705   37.968  322.834   51.627  333.443   56.035  390.815   33.851  394.854   36.366 -4.038391 49.68243 
1 1 1  -15    9   31 o  321.322   39.063  243.721   38.416  259.906   82.976  239.305   43.340  306.530   70.795  336.115   33.043 -29.58417 78.12628 
1 1 1  -15   10    1 o  387.747   47.949  365.210   51.878  395.738   57.678  235.900  118.706  447.690   33.014  327.804   90.036 119.8864 95.89792 
1 1 1  -15   10    2 o  590.439   27.308  691.193   62.868  686.769   87.027  696.023   90.919  588.643   37.885  592.236   39.339 -3.592712 54.61577 
1 1 1  -15   10    3 o  367.501   33.147  266.737   47.538   0.0000   0.0000  266.737   47.538  ?   ?   367.501   33.147      ?      ? 
1 1 1  -15   10    4 o  376.413   27.301  280.574   40.063  269.244   55.196  293.188   58.243  368.432   38.390  384.394   38.827 -15.96188 54.60156 
1 1 1  -15   10    5 o  294.915   42.781  208.723   29.276  216.292   30.836  139.576   93.204  331.872   23.810  257.958   82.182 73.91418 85.56171 
1 1 1  -15   10    6 o  430.761   51.479  432.584   44.689  441.504   46.760  338.489  151.869  473.929   25.283  387.594   99.805 86.33475 102.9577 
1 1 1  -15   10    7 o  650.770   25.076  850.164   60.703  879.490   76.002  798.493  100.884  668.028   29.154  633.511   40.807 34.51746 50.15148 
1 1 1  -15   10    8 o  563.981   24.226  591.125   48.237  544.630   56.225  720.771   93.887  525.949   27.394  602.012   39.964 -76.06293 48.45143 
1 1 1  -15   10    9 o  463.824   25.185  430.271   40.710  435.330   48.006  417.316   76.820  470.368   26.153  457.281   43.049 13.08655 50.37054 
1 1 1  -15   10   10 o  488.896   24.008  449.322   41.071  421.773   47.744  527.730   80.548  462.904   26.430  514.888   40.088 -51.98474 48.01618 
1 1 1  -15   10   11 o  377.694   25.997  277.794   33.021  272.647   37.905  293.993   67.248  372.180   26.098  383.207   44.969 -11.02731 51.99350 
1 1 1  -15   10   12 o  266.727   35.256  174.113   27.471  192.298   30.764  102.544   61.030  312.606   25.218  220.848   65.848 91.75774 70.51161 
1 1 1  -15   10   13 o  357.582   31.961  217.792   37.015  191.394   41.054  332.501   85.580  310.684   33.861  404.481   54.218 -93.79645 63.92279 
1 1 1  -15   10   14 o  377.448   29.057  275.191   33.813  269.050   37.504  301.870   78.168  369.431   26.014  385.465   51.965 -16.03415 58.11316 
1 1 1  -15   10   15 o  560.839   49.542  639.200  108.428   0.0000   0.0000  639.200  108.428  ?   ?   560.839   49.542      ?      ? 
1 1 1  -15   10   16 o  419.199   30.959  329.166   38.555  315.662   42.149  398.370   95.418  399.425   27.041  438.973   55.701 -39.54816 61.91784 
1 1 1  -15   10   17 o  241.414   41.271  137.241   28.123  142.882   29.888   93.670   83.067  268.219   28.554  214.609   77.447 53.61050 82.54296 
1 1 1  -15   10   18 o  226.159   53.919  113.377   45.745  120.874   48.169   44.489  146.020  236.367   53.472  215.951   93.648 20.41647 107.8385 
1 1 1  -15   10   19 o  218.988   49.545  103.305   43.081  100.388   49.108  113.049   89.749  212.976   57.669  225.001   80.580 -12.02539 99.09030 
1 1 1  -15   10   20 o  194.221   38.696   97.358   26.464  107.258   27.617 -13.7426   92.518  230.885   30.652  157.557   71.064 73.32748 77.39240 
1 1 1  -15   10   21 o  407.785   41.823  332.667   60.755  287.671   70.875  457.347  117.979  367.728   49.389  447.841   67.507 -80.11325 83.64507 
1 1 1  -15   10   22 f  615.461   67.489  873.390  162.093   0.0000   0.0000  873.390  162.093  ?   ?   615.461   67.489      ?      ? 
1 1 1  -15   10   23 o  415.955   28.472  355.282   42.768  374.514   77.141  346.747   51.390  419.046   47.173  412.865   31.896 6.181030 56.94399 
1 1 1  -15   10   24 o  523.720   33.108  561.649   67.666   0.0000   0.0000  561.649   67.666  ?   ?   523.720   33.108      ?      ? 
1 1 1  -15   10   25 o  265.826   26.531  147.927   26.907  146.423   42.503  148.933   34.759  262.745   41.453  268.907   33.124 -6.161469 53.06153 
1 1 1  -15   10   26 o  582.753   41.782  743.745   66.398  722.258   71.860  869.184  173.630  591.807   31.115  573.699   77.555 18.10748 83.56359 
1 1 1  -15   10   27 o  113.906   26.590   28.088   14.715   5.7278   26.827   37.710   17.598   96.129   40.884  131.683   34.008 -35.55376 53.17921 
1 1 1  -15   10   28 o  215.153   43.980  123.017   33.792  127.219   35.830   89.208  101.630  243.670   37.681  186.636   79.481 57.03400 87.96013 
1 1 1  -15   10   29 o  301.019   24.471  192.279   28.553  186.873   42.448  196.746   38.587  295.607   36.797  306.432   32.269 -10.82483 48.94156 
1 1 1  -15   10   30 o  311.960   26.375  209.774   32.005  209.264   47.059  210.213   43.655  310.348   38.856  313.571   35.675 -3.223175 52.74970 
1 1 1  -15   11    1 o  499.618   55.881  561.909   77.316  580.638   85.378  476.556  182.265  540.404   40.485  458.832  104.172 81.57248 111.7629 
1 1 1  -15   11    2 o  479.846   54.277  549.857   74.154  593.518   83.411  385.236  161.963  546.689   39.098  413.004  101.268 133.6844 108.5533 
1 1 1  -15   11    3 o  267.697   36.123  183.380   34.967  252.290   43.291   54.030   59.311  357.573   31.024  177.820   65.246 179.7528 72.24654 
1 1 1  -15   11    4 o  818.604   76.891  1660.29  158.764  1746.57  173.974  1230.61  388.259  933.603   47.752  703.605  146.179 229.9973 153.7810 
1 1 1  -15   11    5 o  214.337   36.455   96.903   30.005  103.720   39.776   87.902   45.706  223.637   47.066  205.037   55.684 18.60085 72.91011 
1 1 1  -15   11    6 o  643.844   25.505  754.504   56.780  685.605   65.198  970.824  115.525  589.902   28.322  697.786   42.425 -107.8836 51.00982 
1 1 1  -15   11    7 o  642.234   25.807  791.929   58.800  757.391   69.231  881.346  111.393  619.907   28.618  664.562   42.953 -44.65576 51.61339 
1 1 1  -15   11    8 o  375.094   25.058  260.997   31.408  245.670   35.633  314.370   66.496  353.358   25.841  396.831   42.940 -43.47388 50.11573 
1 1 1  -15   11    9 o  627.269   26.276  764.951   58.768  741.929   69.649  821.853  109.498  613.330   29.100  641.207   43.760 -27.87756 52.55208 
1 1 1  -15   11   10 o  299.027   32.667  210.434   28.930  234.124   33.206  135.821   58.931  345.020   24.663  253.034   60.499 91.98598 65.33312 
1 1 1  -15   11   11 o  744.116   29.273  1039.31   73.089  980.317   83.142  1239.94  153.331  704.421   30.245  783.811   50.129 -79.38971 58.54638 
1 1 1  -15   11   12 o  627.250   39.732  785.216   97.256  785.216   97.256   0.0000   0.0000  627.250   39.732  ?   ?       ?      ? 
1 1 1  -15   11   13 o  441.290   26.381  320.459   36.906  279.671   40.577  515.796   88.798  376.356   27.628  506.223   44.950 -129.8668 52.76177 
1 1 1  -15   11   14 f  425.805   30.013  359.702   39.584  356.443   44.123  373.145   89.609  424.823   26.615  426.787   53.803 -1.963684 60.02637 
1 1 1  -15   11   15 o  197.545   38.727   74.946   20.610   74.569   21.517   79.129   71.757  193.978   28.425  201.112   72.049 -7.133621 77.45364 
1 1 1  -15   11   16 o  155.565   33.963   55.944   20.290   64.495   21.068 -53.3906   75.334  180.037   29.987  131.092   60.949 48.94516 67.92606 
1 1 1  -15   11   17 o  333.279  113.041  298.481  175.305   0.0000   0.0000  298.481  175.305  ?   ?   333.279  113.041      ?      ? 
1 1 1  -15   11   18 o  230.423   56.940  108.185   47.353  106.985   50.079  118.316  145.516  219.872   57.655  240.974   98.207 -21.10194 113.8804 
1 1 1  -15   11   19 o  325.016   42.983  196.645   32.100  187.641   33.642  288.173  107.258  306.171   28.157  343.862   81.225 -37.69086 85.96657 
1 1 1  -15   11   20 o  288.634   47.323  175.608   31.605  172.335   32.938  213.636  112.266  292.797   28.827  284.472   90.149 8.324982 94.64573 
1 1 1  -15   11   21 o  276.370   49.073  148.790   29.984  143.683   30.962  225.775  120.217  266.757   29.743  285.984   93.531 -19.22717 98.14613 
1 1 1  -15   11   22 f  158.896   49.094   2.6943   16.686  -0.2406   16.843  157.794  122.440   74.471   32.050  243.320   92.810 -168.8483 98.18800 
1 1 1  -15   11   23 o  181.245   49.751   47.690   24.127   45.384   24.575  109.219  126.952  144.994   41.388  217.497   90.486 -72.50235 99.50257 
1 1 1  -15   11   24 o  262.581   48.798  201.435   45.777  216.703   48.503   76.915  138.514  321.788   38.625  203.375   89.627 118.4128 97.59537 
1 1 1  -15   11   25 o  292.464   55.550  226.481   41.057  225.492   42.234  243.486  175.102  330.162   32.780  254.765  106.154 75.39630 111.0998 
1 1 1  -15   11   26 o  140.095   43.402   23.135   23.535   22.477   24.136   35.832  106.063  110.803   41.441  169.387   76.272 -58.58327 86.80329 
1 1 1  -15   11   27 o  245.352   40.057  198.147   37.789  225.721   40.687   24.994  101.956  329.044   31.686  161.659   73.582 167.3859 80.11401 
1 1 1  -15   11   28 o  389.110   94.105  486.328  141.330   0.0000   0.0000  486.328  141.330  ?   ?   389.110   94.105      ?      ? 
1 1 1  -15   11   29 o  283.227   36.727  171.939   40.593  171.939   40.593   0.0000   0.0000  283.227   36.727  ?   ?       ?      ? 
1 1 1  -15   11   30 o  156.477   49.078   38.470   60.691   64.012   82.233   7.9136   89.944  166.675   71.250  146.279   67.514 20.39600 98.15618 
1 1 1  -15   12    1 o  429.863   49.357  465.195   64.291  545.787   75.365  249.807  123.206  524.570   36.816  335.155   91.592 189.4154 98.71373 
1 1 1  -15   12    2 o  211.662   45.523   89.098   38.719   82.420   46.606  103.976   69.565  199.028   57.057  224.295   70.951 -25.26682 91.04695 
1 1 1  -15   12    3 o  306.332   45.577  211.037   46.060  225.547   52.759  164.533   94.451  336.670   40.157  275.993   81.832 60.67688 91.15431 
1 1 1  -15   12    4 o  709.026   69.848  1145.27  119.339  1161.39  128.107  1039.40  328.212  762.798   43.036  655.255  132.901 107.5435 139.6951 
1 1 1  -15   12    5 o  730.960   64.701  1009.72  109.360  976.355  114.655  1346.21  364.078  699.701   41.990  762.219  122.400 -62.51880 129.4026 
1 1 1  -15   12    6 o  264.953   44.399  156.267   41.182  167.869   47.159  118.998   84.519  290.147   41.650  239.759   78.425 50.38809 88.79848 
1 1 1  -15   12    7 o  445.037   54.448  466.105   67.124  490.939   74.175  353.803  157.736  496.954   38.248  393.120  101.957 103.8342 108.8954 
1 1 1  -15   12    8 o  525.652   26.038  509.643   46.064  474.997   52.353  628.418   96.936  490.990   27.324  560.313   44.332 -69.32318 52.07625 
1 1 1  -15   12    9 o  438.427   28.648  406.585   40.640  428.029   46.783  340.637   82.041  466.277   25.711  410.577   51.204 55.70059 57.29647 
1 1 1  -15   12   10 o  488.165   29.129  428.620   43.227  402.982   47.363  556.475  105.767  452.149   26.843  524.181   51.706 -72.03192 58.25825 
1 1 1  -15   12   11 o  482.563   47.849  470.030   90.108   0.0000   0.0000  470.030   90.108  ?   ?   482.563   47.849      ?      ? 
1 1 1  -15   12   12 o  547.707   27.954  566.966   50.836  538.817   57.635  665.599  107.887  522.107   28.288  573.307   48.223 -51.19971 55.90702 
1 1 1  -15   12   13 o  451.750   29.795  389.674   41.831  376.358   46.405  447.397   96.617  436.287   27.256  467.212   52.992 -30.92462 59.59052 
1 1 1  -15   12   14 o  278.934   40.352  167.688   28.628  168.917   30.499  158.580   83.012  292.140   26.752  265.727   76.140 26.41345 80.70325 
1 1 1  -15   12   15 o  239.534   41.702  137.272   28.841  143.801   30.635   86.370   85.535  268.907   29.194  210.160   78.128 58.74686 83.40443 
1 1 1  -15   12   16 o  223.969   52.967  113.167   47.837  122.759   51.531   53.365  128.667  237.067   56.502  210.871   89.607 26.19673 105.9330 
1 1 1  -15   12   17 o  238.828   49.068  132.213   29.072  135.223   29.684   61.392  143.987  260.062   29.249  217.593   93.676 42.46864 98.13628 
1 1 1  -15   12   18 o  332.612   41.197  197.789   31.705  186.793   33.238  308.836  105.621  305.558   27.874  359.668   77.535 -54.10995 82.39314 
1 1 1  -15   12   19 o  162.051   45.052   31.048   18.828   29.069   19.174   84.461   99.600  119.060   37.190  205.043   82.071 -85.98334 90.10439 
1 1 1  -15   12   20 o  732.423   62.054  1204.44  177.362   0.0000   0.0000  1204.44  177.362  ?   ?   732.423   62.054      ?      ? 
1 1 1  -15   12   21 o  140.024   41.519   27.460   18.941   29.066   19.244 -22.4186  107.257  118.711   37.287  161.337   74.196 -42.62620 83.03810 
1 1 1  -15   12   22 o  223.406   49.691   79.320   26.294   73.112   27.006  192.272  115.203  184.669   38.712  262.142   91.532 -77.47359 99.38146 
1 1 1  -15   12   23 o  113.426   40.211  -8.4356   17.857  -7.4589   18.065 -50.0401  117.900   69.921   31.482  156.931   74.005 -87.00998 80.42280 
1 1 1  -15   12   24 o  218.652   57.822   51.373   27.435   43.128   27.863  313.387  157.067  140.821   44.941  296.483  106.555 -155.6622 115.6449 
1 1 1  -15   12   25 o  179.054   48.137   28.902   22.489   20.924   23.024  194.669  104.947  107.985   40.457  250.123   87.361 -142.1380 96.27432 
1 1 1  -15   12   26 f  220.816   42.632  128.388   32.090  132.835   34.286   96.980   91.120  250.800   35.031  190.833   77.736 59.96762 85.26479 
1 1 1  -15   12   27 o  351.857   46.784  344.969   46.623  363.722   51.700  263.306  107.887  417.378   31.742  286.337   88.018 131.0410 93.56703 
1 1 1  -15   12   28 o  183.493   45.026   77.723   32.000   77.723   32.000   0.0000   0.0000  183.493   45.026  ?   ?       ?      ? 
1 1 1  -15   12   29 o  311.333   51.305  273.583   67.001  409.602   98.742  157.521   91.211  401.342   63.046  221.325   80.957 180.0171 102.6099 
1 1 1  -15   13    1 o  186.698   40.686   71.905   33.383   88.672   44.018   49.204   51.217  205.658   54.114  167.738   60.770 37.91983 81.37151 
1 1 1  -15   13    2 o  698.133   61.731  986.529  111.056  967.577  118.641  1120.69  315.661  695.753   43.696  700.513  115.471 -4.759827 123.4623 
1 1 1  -15   13    3 o  994.654   50.304  1993.24  195.256  1993.24  195.256   0.0000   0.0000  994.654   50.304  ?   ?       ?      ? 
1 1 1  -15   13    4 o  501.413   77.038  580.972  146.833  488.167  204.325  680.080  211.150  454.466  115.089  548.359  102.439 -93.89209 154.0755 
1 1 1  -15   13    5 o  506.068   56.895  560.924   76.748  566.994   83.584  528.304  193.758  533.422   40.153  478.713  106.469 54.70874 113.7894 
1 1 1  -15   13    6 o  212.522   43.840   97.603   38.226  109.752   46.544   72.430   67.001  228.523   53.189  196.521   69.703 32.00150 87.67932 
1 1 1  -15   13    7 o  412.558   53.372  376.438   61.906  383.317   67.947  342.831  150.183  438.470   39.710  386.645   99.082 51.82446 106.7436 
1 1 1  -15   13    8 o  133.180   53.802   17.762   43.237   17.762   43.237   0.0000   0.0000  133.180   53.802  ?   ?       ?      ? 
1 1 1  -15   13    9 o  381.559   36.133  261.466   34.684  251.791   36.681  343.147  106.577  357.370   26.302  405.748   67.309 -48.37790 72.26591 
1 1 1  -15   13   10 o  408.800   56.587  342.829   90.273   0.0000   0.0000  342.829   90.273  ?   ?   408.800   56.587      ?      ? 
1 1 1  -15   13   11 o  568.359   32.914  499.358   50.105  451.014   53.041  900.055  152.704  477.426   28.469  659.293   59.353 -181.8665 65.82743 
1 1 1  -15   13   12 o  207.035   39.612  100.598   24.988  106.688   26.257   42.096   81.375  231.980   29.004  182.090   73.723 49.88994 79.22338 
1 1 1  -15   13   13 o  531.487   31.991  520.196   51.190  491.155   56.018  667.211  126.040  497.361   28.862  565.614   57.103 -68.25272 63.98244 
1 1 1  -15   13   14 o  434.280   38.885  365.275   62.420  309.605   75.056  490.137  112.406  387.250   49.666  481.309   59.846 -94.05945 77.77040 
1 1 1  -15   13   16 o  236.997   50.120  106.040   25.629  104.916   26.118  135.251  133.140  229.005   29.225  244.988   95.884 -15.98381 100.2392 
1 1 1  -15   13   17 o  525.733   65.408  615.772  134.192   0.0000   0.0000  615.772  134.192  ?   ?   525.733   65.408      ?      ? 
1 1 1  -15   13   18 o  280.777   47.176  184.905   33.062  186.201   34.644  171.668  110.684  304.229   29.181  257.325   89.726 46.90424 94.35184 
1 1 1  -15   13   19 o  230.778   45.074  132.331   28.677  136.401   29.597   69.898  115.923  260.099   29.159  201.458   85.302 58.64145 90.14822 
1 1 1  -15   13   20 o  657.942   66.022  995.515  169.516   0.0000   0.0000  995.515  169.516  ?   ?   657.942   66.022      ?      ? 
1 1 1  -15   13   21 o  205.449   43.135  102.056   28.463  106.845   29.515   38.462  107.553  228.667   33.076  182.231   79.677 46.43520 86.26963 
1 1 1  -15   13   22 o  427.080   50.798  519.821   58.971  572.514   66.024  311.970  131.129  529.141   31.974  325.019   96.433 204.1224 101.5952 
1 1 1  -15   13   23 o  225.018   42.021  110.552   35.542  110.552   35.542   0.0000   0.0000  225.018   42.021  ?   ?       ?      ? 
1 1 1  -15   13   24 o  209.394   42.875  112.786   30.284  117.239   31.713   66.692  102.033  236.862   34.309  181.926   78.587 54.93604 85.74977 
1 1 1  -15   13   25 o  162.592   42.312   45.620   23.423   40.670   24.574   94.747   77.417  135.488   42.068  189.696   73.427 -54.20824 84.62363 
1 1 1  -15   13   26 o  278.909   42.223  173.899   33.999  165.281   36.936  221.706   86.995  280.199   33.779  277.620   77.395 2.579193 84.44568 
1 1 1  -15   13   27 f  209.206   55.624   81.725   30.048   76.873   30.489  245.804  177.296  183.603   43.262  234.809  102.492 -51.20648 111.2485 
1 1 1  -15   13   28 o  224.936   59.095  169.192   70.915  188.044   91.622  141.023  111.998  243.327   81.726  206.544   85.381 36.78270 118.1910 
1 1 1  -15   14    1 o  423.976   53.592  321.273   69.546  283.074   76.516  502.775  166.787  373.905   52.439  474.047   93.481 -100.1425 107.1847 
1 1 1  -15   14    2 o  349.255   49.938  276.699   63.755  322.848   80.273  197.855  104.925  399.526   51.487  298.984   85.582 100.5412 99.87540 
1 1 1  -15   14    3 o  298.839   53.131  171.173   55.297  145.295   63.473  252.663  112.637  260.825   63.056  336.852   85.530 -76.02774 106.2611 
1 1 1  -15   14    4 o  177.001   47.878   46.787   43.468   58.753   77.869   41.370   52.391  192.559   73.879  161.444   60.918 31.11496 95.75519 
1 1 1  -15   14    5 o  263.748   52.049   95.845   51.646   45.268   58.164  284.318  112.280  169.005   64.086  358.491   82.034 -189.4861 104.0990 
1 1 1  -15   14    6 o  686.352   43.962  945.806  117.748  945.806  117.748   0.0000   0.0000  686.352   43.962  ?   ?       ?      ? 
1 1 1  -15   14    7 o  430.968   42.816  372.795   72.008  372.795   72.008   0.0000   0.0000  430.968   42.816  ?   ?       ?      ? 
1 1 1  -15   14    8 o  505.948  114.539  622.536  220.884   0.0000   0.0000  622.536  220.884  ?   ?   505.948  114.539      ?      ? 
1 1 1  -15   14    9 o  252.644   64.673  132.318   87.804   10.911  157.269  187.299  105.835  217.841   95.769  287.448   86.942 -69.60632 129.3467 
1 1 1  -15   14   10 o  503.098  119.846  644.981  231.936   0.0000   0.0000  644.981  231.936  ?   ?   503.098  119.846      ?      ? 
1 1 1  -15   14   11 o  627.024   30.259  781.712   74.039  781.712   74.039   0.0000   0.0000  627.024   30.259  ?   ?       ?      ? 
1 1 1  -15   14   12 o  474.820   94.292  538.285  168.556   0.0000   0.0000  538.285  168.556  ?   ?   474.820   94.292      ?      ? 
1 1 1  -15   14   13 o  354.849   47.414  254.807   59.558  210.368   71.061  359.715  109.183  310.049   60.904  399.649   72.685 -89.59921 94.82815 
1 1 1  -15   14   14 o  379.922   61.412  351.753   71.570  355.198   78.439  334.628  174.883  413.263   48.638  346.581  112.783 66.68265 122.8237 
1 1 1  -15   14   15 o  209.980   44.108   82.930   23.483   81.711   24.207  102.406   96.759  201.709   30.752  218.251   82.682 -16.54265 88.21606 
1 1 1  -15   14   16 o  299.276   46.259  255.690   38.149  273.810   40.621  120.272  111.046  369.625   28.161  228.926   88.127 140.6997 92.51750 
1 1 1  -15   14   17 o  118.746   37.600   15.046   13.715   16.707   13.839 -75.9488  102.420   93.685   31.761  143.807   68.163 -50.12283 75.19915 
1 1 1  -15   14   18 o  495.021   91.629  640.826  170.486   0.0000   0.0000  640.826  170.486  ?   ?   495.021   91.629      ?      ? 
1 1 1  -15   14   19 o  212.260   42.165  115.933   27.603  122.232   28.553   25.998  107.895  245.848   29.761  178.672   78.903 67.17606 84.32926 
1 1 1  -15   14   20 o  274.282   44.184  131.768   29.078  121.617   30.383  242.359  100.284  244.341   31.865  304.223   82.424 -59.88214 88.36892 
1 1 1  -15   14   21 o  125.729   40.658   8.6376   17.556   8.3793   17.859   16.054   95.691   86.280   34.675  165.178   73.553 -78.89832 81.31660 
1 1 1  -15   14   22 o  194.357   49.361   72.754   28.631   70.833   29.391  108.468  126.719  178.971   42.682  209.742   89.019 -30.77150 98.72234 
1 1 1  -15   14   23 o  109.776   37.250   1.9903   18.205   4.3790   18.494 -72.7810  103.471   81.974   34.355  137.577   66.106 -55.60318 74.50008 
1 1 1  -15   14   24 o  180.956   35.473   93.246   28.959  111.402   30.953 -34.2413   82.019  230.145   34.464  131.767   62.012 98.37883 70.94527 
1 1 1  -15   14   25 o  239.958   40.765  169.935   34.930  187.714   38.257   80.842   85.638  299.304   32.754  180.612   74.661 118.6917 81.52960 
1 1 1  -15   14   26 o  144.784   44.983   32.609   22.758   34.440   22.963 -68.6962  170.845  125.707   40.866  163.861   80.149 -38.15443 89.96663 
1 1 1  -15   14   27 o  190.640   63.243   40.361   80.316  -4.4018   86.615  314.942  214.522  142.109   65.822  239.170  108.011 -97.06071 126.4869 
1 1 1  -15   14   28 o  123.512   41.216   7.4210   23.667   7.7229   24.202   0.8145  113.223   93.269   39.206  153.755   72.512 -60.48579 82.43182 
1 1 1  -15   15    1 o  272.908   45.301  166.415   49.937  219.839   65.955   94.651   76.443  328.957   51.378  216.859   74.626 112.0981 90.60181 
1 1 1  -15   15    2 o  490.713   61.178  499.374   97.398  470.279  110.904  597.479  203.651  477.813   59.478  503.614  106.928 -25.80115 122.3569 
1 1 1  -15   15    3 o  328.357   50.356  252.410   61.087  296.039   75.105  167.133  105.001  381.828   50.404  274.886   87.191 106.9419 100.7120 
1 1 1  -15   15    4 o  561.375   48.559  638.704  106.378  638.704  106.378   0.0000   0.0000  561.375   48.559  ?   ?       ?      ? 
1 1 1  -15   15    5 o  158.034   62.562   32.769   57.268   32.769   57.268   0.0000   0.0000  158.034   62.562  ?   ?       ?      ? 
1 1 1  -15   15    6 o  366.480   57.594  259.695   67.890  227.669   75.864  388.467  152.123  326.230   61.855  406.730   97.172 -80.50061 115.1886 
1 1 1  -15   15    7 o  744.913  121.928  1702.80  348.354  1506.94  480.551  1919.70  505.705  686.333  177.939  803.494  166.742 -117.1611 243.8552 
1 1 1  -15   15    8 o  726.920   47.167  1076.64  133.800  1076.64  133.800   0.0000   0.0000  726.920   47.167  ?   ?       ?      ? 
1 1 1  -15   15    9 o  556.064   46.298  630.818  100.466  630.818  100.466   0.0000   0.0000  556.064   46.298  ?   ?       ?      ? 
1 1 1  -15   15   10 o  424.921   60.307  417.255   76.648  418.331   84.926  412.532  177.994  451.129   48.240  398.714  110.547 52.41492 120.6140 
1 1 1  -15   15   11 o  511.517   65.462  650.158   91.993  666.232  101.028  572.157  222.554  569.852   45.431  453.182  122.790 116.6703 130.9249 
1 1 1  -15   15   12 o  259.346   58.453  154.064   61.615  150.433   71.374  164.688  122.074  256.538   69.548  262.154   93.968 -5.615967 116.9058 
1 1 1  -15   15   13 o  170.260   39.088   63.797   20.433   68.374   20.802 -61.8176  108.981  184.908   28.829  155.611   72.667 29.29671 78.17678 
1 1 1  -15   15   14 o  157.777   42.814   40.784   17.690   42.113   17.895 -16.0806  117.084  141.708   32.979  173.846   79.022 -32.13777 85.62737 
1 1 1  -15   15   15 o  211.940   47.172   60.826   20.674   56.387   21.077  173.479  106.179  163.866   34.071  260.014   87.976 -96.14845 94.34303 
1 1 1  -15   15   16 o  315.538   55.537  262.595   68.775  293.979   82.666  192.032  123.954  365.419   57.970  265.657   94.746 99.76251 111.0735 
1 1 1  -15   15   17 o  396.471   45.931  332.282   44.287  323.354   47.127  399.718  129.521  399.833   30.204  393.109   86.754 6.723724 91.86121 
1 1 1  -15   15   18 o  284.188   53.778  214.418   65.687  279.751   85.952  122.678  101.851  345.215   66.211  223.160   84.761 122.0550 107.5558 
1 1 1  -15   15   19 o  188.763   32.543  107.456   27.210  132.465   28.995 -77.0510   78.756  255.864   29.039  121.662   58.249 134.2021 65.08667 
1 1 1  -15   15   20 o  184.508   39.186   84.120   27.264   91.442   29.223   34.926   75.742  207.034   37.553  161.982   68.789 45.05199 78.37229 
1 1 1  -15   15   21 o  200.628   78.294   99.793   88.575   0.0000   0.0000   99.793   88.575  ?   ?   200.628   78.294      ?      ? 
1 1 1  -15   15   22 o  341.473   44.531  308.400   42.878  324.532   47.548  238.161   99.213  396.765   30.709  286.181   83.600 110.5844 89.06236 
1 1 1  -15   15   23 o  136.914   38.323   36.409   23.157   41.315   24.007 -29.1861   87.784  136.497   41.436  137.332   64.479 -0.8354950 76.64536 
1 1 1  -15   15   24 o  330.281   45.804  297.991   43.790  311.813   48.490  236.876  101.961  386.237   32.171  274.326   85.773 111.9109 91.60792 
1 1 1  -15   15   25 o  160.690   48.266   44.022   24.435   44.532   24.659   16.448  181.339  140.690   41.836  180.690   86.996 -40.00032 96.53278 
1 1 1  -15   15   26 o  215.922   63.185  152.926   77.870  149.056   83.393  179.271  217.574  221.664   77.849  210.180   99.543 11.48396 126.3696 
1 1 1  -15   15   27 o  261.940   40.587  252.053   44.893  289.593   47.837 -25.1127  129.982  369.683   33.159  154.197   74.092 215.4860 81.17333 
1 1 1  -15   16    1 o  258.971   76.295  149.150   82.321  149.150   82.321   0.0000   0.0000  258.971   76.295  ?   ?       ?      ? 
1 1 1  -15   16    2 o  623.833   61.009  813.308  148.524  813.308  148.524   0.0000   0.0000  623.833   61.009  ?   ?       ?      ? 
1 1 1  -15   16    3 o  497.665   58.641  571.765   94.264  594.249  109.885  509.118  183.420  537.684   52.370  457.646  104.941 80.03860 117.2824 
1 1 1  -15   16    4 f  383.055   59.404  339.754   81.103  351.824   96.446  310.612  149.864  409.946   60.288  356.165  102.377 53.78091 118.8089 
1 1 1  -15   16    5 o  161.754   49.734   9.7401   52.644 -12.0041  105.864   16.884   60.678  174.214   77.483  149.294   62.372 24.91986 99.46838 
1 1 1  -15   16    6 o  399.890   56.698  333.766   88.478  333.766   88.478   0.0000   0.0000  399.890   56.698  ?   ?       ?      ? 
1 1 1  -15   16    7 o  300.275   51.704  221.059   62.123  268.696   76.022  125.311  107.779  359.207   54.233  241.344   88.045 117.8632 103.4073 
1 1 1  -15   16    8 o  698.994   47.659  1005.83  130.003  1005.83  130.003   0.0000   0.0000  698.994   47.659  ?   ?       ?      ? 
1 1 1  -15   16    9 o  207.498   54.443   82.989   57.505   65.973   73.290  110.241   92.753  189.048   71.878  225.949   81.792 -36.90141 108.8866 
1 1 1  -15   16   10 o  251.421   54.643  150.360   64.117  207.626   84.029   70.553   99.198  299.764   72.602  203.078   81.686 96.68549 109.2868 
1 1 1  -15   16   11 o  392.466   59.754  398.799   78.634  426.375   90.235  311.755  160.314  449.883   51.397  335.048  107.892 114.8351 119.5086 
1 1 1  -15   16   12 o  273.315   50.172  200.086   66.189  278.332   78.920   14.537  121.531  359.619   56.236  187.012   83.105 172.6067 100.3438 
1 1 1  -15   16   13 o  277.531   52.881  147.095   30.181  143.078   30.888  231.811  141.851  266.703   29.678  288.360  101.513 -21.65619 105.7627 
1 1 1  -15   16   14 o  189.574   45.369   72.592   23.501   74.754   23.864   3.2282  135.190  192.126   31.830  187.023   84.973 5.103729 90.73897 
1 1 1  -15   16   15 o  238.896   52.304  110.874   27.027  109.385   27.466  156.299  151.701  232.613   30.257  245.180  100.136 -12.56726 104.6080 
1 1 1  -15   16   17 o  185.902   50.601   57.948   21.375   58.475   21.525   20.576  181.377  166.292   34.309  205.511   95.210 -39.21867 101.2029 
1 1 1  -15   16   18 o  356.668   68.345  286.005   44.306  278.836   44.992  515.665  254.667  370.047   31.156  343.289  133.092 26.75824 136.6907 
1 1 1  -15   16   19 o  262.659   86.353  193.867  102.423   0.0000   0.0000  193.867  102.423  ?   ?   262.659   86.353      ?      ? 
1 1 1  -15   16   20 o  156.209   44.755   3.9214   14.245   0.3394   14.398  169.710   97.955   69.308   29.725  243.110   84.429 -173.8018 89.50910 
1 1 1  -15   16   21 o  141.429   40.730   32.677   20.598   33.554   21.104   15.052   94.585  124.849   39.021  158.010   71.506 -33.16131 81.46017 
1 1 1  -15   16   22 o  190.670   79.631 -35.8184   9.4850 -37.0280   9.5290   94.365   98.858  ?   ?   190.670   79.631      ?      ? 
1 1 1  -15   16   23 o  174.170   45.270   63.747   26.767   63.167   27.585   73.103  110.781  166.883   42.301  181.457   80.051 -14.57436 90.54043 
1 1 1  -15   16   24 o  239.226   51.108  168.181   37.148  170.888   37.453   3.9878  291.693  284.802   33.699  193.650   96.501 91.15181 102.2154 
1 1 1  -15   16   25 o  174.202   54.385   62.860   66.879   56.698   78.221   79.607  128.953  164.339   69.851  184.065   83.377 -19.72591 108.7700 
1 1 1  -15   16   26 o  224.791   47.924  133.327   34.457  132.713   35.658  141.982  133.857  248.031   36.840  201.551   88.486 46.48048 95.84861 
1 1 1  -15   17    1 o  550.297   67.774  709.589  122.951  698.058  142.998  742.285  240.788  571.276   64.143  529.318  119.411 41.95892 135.5487 
1 1 1  -15   17    3 o  316.166   69.565  253.233   98.173  185.512  149.506  304.568  130.169  279.072  103.382  353.259   93.109 -74.18713 139.1292 
1 1 1  -15   17    4 o  246.208   58.909  116.589   68.644   56.579   86.202  220.590  113.482  190.606   76.331  301.810   89.747 -111.2036 117.8174 
1 1 1  -15   17    5 o  233.833   62.503  116.222   77.750   93.662  126.880  129.786   98.385  227.556   92.083  240.110   84.540 -12.55330 125.0054 
1 1 1  -15   17    6 o  608.128   73.885  888.995  123.115  870.836  134.661  981.469  303.880  643.802   53.599  572.454  137.707 71.34729 147.7705 
1 1 1  -15   17    7 o  633.648   78.643  1040.00  139.531  1040.15  154.212  1039.31  327.658  699.436   56.499  567.860  146.788 131.5759 157.2854 
1 1 1  -15   17    8 o  201.798   56.339   65.869   67.522   18.446   91.976  121.301   99.441  172.115   74.481  231.481   84.552 -59.36581 112.6783 
1 1 1  -15   17    9 o  242.868   52.310  134.860   64.461  227.555   85.930   15.569   97.481  312.106   72.017  173.630   75.887 138.4756 104.6197 
1 1 1  -15   17   10 o  191.475   54.035   58.292   64.671  108.934   87.286  -3.3408   96.294  218.760   79.321  164.190   73.399 54.56963 108.0701 
1 1 1  -15   17   11 o  360.611   62.433  352.754   86.633  386.445  103.359  273.179  158.845  416.086   63.655  305.136  107.422 110.9493 124.8656 
1 1 1  -15   17   12 o  267.095   64.181  187.749   76.989  189.629   90.919  182.984  144.737  274.714   79.966  259.476  100.409 15.23804 128.3612 
1 1 1  -15   17   13 o  262.220   50.477  185.556   71.173  294.829   86.340 -46.1446  125.724  357.754   64.203  166.685   77.910 191.0687 100.9548 
1 1 1  -15   17   14 o  260.865   64.270  182.611   76.354  185.269   87.717  174.298  155.119  270.353   78.502  251.376  101.783 18.97713 128.5393 
1 1 1  -15   17   15 o  258.031   57.160  194.528   76.374  250.989   86.576  -3.5836  162.173  322.481   70.741  193.582   89.805 128.8993 114.3208 
1 1 1  -15   17   16 o  421.654   69.185  452.585   54.592  446.166   55.919  583.028  252.074  468.711   30.572  374.596  134.951 94.11523 138.3703 
1 1 1  -15   17   17 o  206.263   50.701   90.025   26.087   91.893   26.273 -40.3718  219.556  212.092   31.744  200.434   96.305 11.65797 101.4018 
1 1 1  -15   17   18 o  285.009   34.498  168.088   38.369  168.088   38.369   0.0000   0.0000  285.009   34.498  ?   ?       ?      ? 
1 1 1  -15   17   19 o  174.758   51.897   49.838   22.252   50.526   22.341 -36.1394  249.863  152.043   37.811  197.474   96.662 -45.43140 103.7943 
1 1 1  -15   17   20 o  288.468   55.124  260.684   43.084  263.284   43.682  167.619  261.299  356.517   31.397  220.420  105.683 136.0964 110.2481 
1 1 1  -15   17   21 o  207.997   51.293   99.526   28.802  100.267   28.992   43.697  251.660  218.398   34.017  197.595   96.782 20.80333 102.5864 
1 1 1  -15   17   22 o  135.516   52.602  -2.7123   14.349  -3.0278   14.367  118.618  281.734   65.046   28.755  205.987  101.199 -140.9405 105.2050 
1 1 1  -15   17   23 o  208.487   55.635   90.971   28.253   89.905   28.387  203.679  291.870  202.592   37.279  214.382  104.839 -11.78989 111.2701 
1 1 1  -15   17   24 o  141.851   46.921  -6.5028   60.938   24.057   67.192 -148.1183  144.643  142.821   62.697  140.881   69.823 1.940277 93.84100 
1 1 1  -15   17   25 o  149.352   73.467 -47.5054   11.091 -47.2582   11.121 -92.4627  149.984  ?   ?   149.352   73.467      ?      ? 
1 1 1  -15   18    1 o  217.598   56.410   71.380   59.598  186.873  112.931   26.797   70.164  274.470   90.695  160.726   67.103 113.7438 112.8201 
1 1 1  -15   18    2 o  656.461   79.886  998.213  204.651  998.213  204.651   0.0000   0.0000  656.461   79.886  ?   ?       ?      ? 
1 1 1  -15   18    3 o  336.725   64.000  290.189   87.136  329.393  116.686  240.767  131.012  369.665   82.928  303.785   97.504 65.88028 128.0004 
1 1 1  -15   18    4 o  281.617   64.843  186.601   80.779  275.611  132.789  134.313  101.776  323.987   97.250  239.247   85.797 84.73921 129.6866 
1 1 1  -15   18    6 o  195.164   56.377   52.778   70.494  -0.8884   97.113  112.552  102.490  166.075   74.014  224.253   85.062 -58.17850 112.7548 
1 1 1  -15   18    7 o  383.351   71.210  365.890   97.983  323.776  113.670  487.665  193.291  362.996   82.159  403.707  116.333 -40.71164 142.4202 
1 1 1  -15   18    8 o  254.818   54.324  149.768   70.387  269.292   97.469   19.507  101.753  333.775   76.471  175.862   77.179 157.9133 108.6487 
1 1 1  -15   18    9 o  319.637   66.728  267.822   85.053  248.421  103.085  309.191  150.532  313.166   83.009  326.108  104.499 -12.94278 133.4568 
1 1 1  -15   18   10 o  258.254   61.186  176.490   75.584  213.884   98.705  123.476  117.525  288.620   83.121  227.888   89.811 60.73186 122.3726 
1 1 1  -15   18   11 o  221.178   59.590  115.499   75.510  159.325   96.676   46.932  120.923  248.636   83.948  193.721   84.598 54.91545 119.1806 
1 1 1  -15   18   12 o  306.422   58.952  272.609   86.286  379.177  108.303   87.418  142.770  397.515   72.487  215.330   92.989 182.1849 117.9037 
1 1 1  -15   18   13 o  376.444   65.090  430.743   93.510  470.662  106.639  297.913  194.526  458.300   59.626  294.588  115.721 163.7117 130.1791 
1 1 1  -15   18   14 o  260.498   63.946  193.917   79.643  210.474   91.079  140.125  164.164  285.962   78.999  235.035  100.576 50.92725 127.8920 
1 1 1  -15   18   15 o  181.487   58.010   26.757   76.244   25.856   86.443   29.913  161.798  164.494   71.689  198.480   91.222 -33.98610 116.0205 
1 1 1  -15   18   16 o  248.696   33.754  127.456   32.759  127.456   32.759   0.0000   0.0000  248.696   33.754  ?   ?       ?      ? 
1 1 1  -15   18   17 f  209.908   34.659   91.554   28.391   91.554   28.391   0.0000   0.0000  209.908   34.659  ?   ?       ?      ? 
1 1 1  -15   18   18 o  205.857   48.473  102.941   28.025  105.627   28.228 -82.0599  234.280  225.850   32.028  185.864   91.503 39.98598 96.94624 
1 1 1  -15   18   19 o  225.854   47.845  144.284   32.221  148.289   32.561 -44.2878  223.423  267.405   31.203  184.303   90.459 83.10281 95.68975 
1 1 1  -15   18   20 o  194.980   47.907   86.346   25.127   87.665   25.295 -11.9262  218.328  205.120   31.601  184.840   90.452 20.27975 95.81343 
1 1 1  -15   18   21 o  184.428   49.823   72.728   26.465   73.822   26.628 -15.7247  239.489  182.553   38.586  186.303   91.873 -3.750351 99.64697 
1 1 1  -15   18   22 o  169.882   55.593   43.728   68.908   54.931   72.173 -71.7373  231.706  162.333   67.939  177.432   88.014 -15.09819 111.1852 
1 1 1  -15   18   23 o  152.586   50.897   2.2520   71.726   33.724   77.063 -201.6535  196.152  152.217   66.976  152.955   76.657 -0.7385101 101.7943 
1 1 1  -15   18   24 o  191.060   49.493   83.575   27.745   83.483   28.005   88.481  203.786  193.380   38.464  188.741   91.208 4.638702 98.98679 
1 1 1  -15   19    1 o  356.184   79.159  359.414  117.565  464.050  203.065  306.659  144.187  381.580  121.277  330.788  101.766 50.79211 158.3172 
1 1 1  -15   19    2 o  178.441   57.798   5.8719   62.216   37.864  175.467   1.2713   66.540  215.093   97.361  141.788   62.314 73.30502 115.5956 
1 1 1  -15   19    3 o  518.163   74.896  629.349  151.446  629.349  151.446   0.0000   0.0000  518.163   74.896  ?   ?       ?      ? 
1 1 1  -15   19    4 o  208.873   58.873   87.057   72.204  119.786  108.199   60.780   96.949  226.267   87.021  191.479   79.319 34.78734 117.7462 
1 1 1  -15   19    5 o  294.349   64.044  231.589   82.913  283.061  116.203  178.208  118.340  329.228   88.527  259.470   92.571 69.75735 128.0878 
1 1 1  -15   19    6 o  169.784   52.462   21.686   64.985   7.5909  104.764   30.501   82.850  171.628   76.653  167.941   71.646 3.686661 104.9233 
1 1 1  -15   19    7 o  297.780   67.759  251.010   90.299  269.551  116.322  222.894  143.245  317.752   89.818  277.807  101.479 39.94470 135.5187 
1 1 1  -15   19    8 o  324.884   61.653  301.734   90.004  407.278  116.833  147.660  141.160  409.455   75.914  240.314   97.168 169.1415 123.3067 
1 1 1  -15   19    9 o  463.535   73.746  569.372  111.176  534.787  124.770  702.646  244.929  482.308   66.291  444.762  131.756 37.54584 147.4925 
1 1 1  -15   19   10 o  150.615   48.903 -31.0939   66.600   9.7002   93.646 -72.8437   94.737  163.993   72.910  137.236   65.195 26.75795 97.80685 
1 1 1  -15   19   11 o  315.134   62.111  300.950   87.741  362.980  105.016  157.534  159.680  387.908   72.025  242.359  101.211 145.5483 124.2227 
1 1 1  -15   19   12 o  182.712   53.933   37.678   73.393  115.898   90.976 -108.1073  124.200  216.661   80.569  148.763   71.719 67.89728 107.8651 
1 1 1  -15   19   13 o  238.270   61.023  160.666   83.603  216.230   97.707   8.7968  161.535  283.787   82.981  192.753   89.494 91.03413 122.0453 
1 1 1  -15   19   14 o  285.442   85.165  226.245  102.064  226.245  102.064   0.0000   0.0000  285.442   85.165  ?   ?       ?      ? 
1 1 1  -15   19   15 o  211.656  103.068   13.859  273.595   13.859  273.595   0.0000   0.0000  211.656  103.068  ?   ?       ?      ? 
1 1 1  -15   19   16 o  200.285   63.692   72.163   81.467   50.699   89.153  180.795  200.563  171.542   73.781  229.028  103.842 -57.48595 127.3841 
1 1 1  -15   19   17 o  207.166   50.444   94.811   26.831   95.247   27.059   69.197  207.403  213.972   32.406  200.360   95.543 13.61185 100.8888 
1 1 1  -15   19   18 o  464.582   72.493  778.942   76.073  772.602   78.038  900.154  341.221  607.692   32.907  321.472  141.202 286.2197 144.9861 
1 1 1  -15   19   19 o  148.933   45.913   34.277   18.854   35.337   18.936 -87.2895  202.778  126.978   36.360  170.889   84.321 -43.91111 91.82659 
1 1 1  -15   19   20 o  205.418   49.229  101.448   28.949  102.558   29.212   40.644  216.177  220.550   33.941  190.286   92.422 30.26398 98.45704 
1 1 1  -15   19   21 o  158.392   52.278   25.372   59.214   33.670   62.134 -56.7454  195.463  145.629   62.085  171.155   84.128 -25.52525 104.5565 
1 1 1  -15   19   22 f  123.166   40.814   17.168   18.353   19.660   18.446 -227.9005  182.922  100.954   36.485  145.379   73.021 -44.42447 81.62901 
1 1 1  -15   19   23 o  294.049   52.903  297.585   46.784  300.198   47.801  238.164  227.971  376.552   32.530  211.547  100.681 165.0053 105.8062 
1 1 1  -15   20    1 o  200.701   60.612   60.817   75.905  106.933  145.986   43.731   88.860  224.220   95.367  177.182   74.835 47.03844 121.2234 
1 1 1  -15   20    2 o  219.806   61.069  110.853   80.834   38.697  129.922  156.425  103.252  194.275   86.148  245.336   86.582 -51.06056 122.1390 
1 1 1  -15   20    3 o  215.623   60.025   91.713   72.647  170.069  121.236   47.817   90.742  251.257   93.092  179.988   75.800 71.26947 120.0491 
1 1 1  -15   20    4 o  256.672   66.782  165.147   92.626   76.547  124.018  276.920  139.294  205.976   87.760  307.368  100.686 -101.3923 133.5648 
1 1 1  -15   20    5 o  398.445   74.397  427.808  108.448  369.845  127.616  578.468  205.744  374.450   88.697  422.439  119.468 -47.98831 148.7949 
1 1 1  -15   20    6 o  184.115   59.216   24.885   76.890 -35.8802  192.652   36.399   83.858  198.160   93.797  170.070   72.306 28.08961 118.4321 
1 1 1  -15   20    7 o  270.331   68.040  167.378   92.864   65.276  114.516  363.480  158.703  197.041   84.151  343.621  106.940 -146.5797 136.0798 
1 1 1  -15   20    8 o  304.959   58.162  261.783   85.053  392.904  111.994   83.103  130.736  401.245   74.259  208.673   89.536 192.5721 116.3235 
1 1 1  -15   20    9 o  176.874   54.370   29.984   72.953   75.834   93.977 -39.5459  115.727  193.642   78.920  160.106   74.805 33.53638 108.7391 
1 1 1  -15   20   10 o  196.270   59.988   61.651   77.344   46.087   91.589  100.342  144.405  176.783   75.372  215.757   93.346 -38.97368 119.9768 
1 1 1  -15   20   11 o  200.450   58.486   86.215   78.206  127.299   92.436 -17.2662  146.704  221.400   81.421  179.501   83.982 41.89911 116.9716 
1 1 1  -15   20   12 o  326.733   82.448  288.021  105.126  288.021  105.126   0.0000   0.0000  326.733   82.448  ?   ?       ?      ? 
1 1 1  -15   20   13 o  196.048   66.709 -78.5196  123.952  261.906  238.928 -203.8806  144.990  251.730  113.809  140.365   69.626 111.3656 133.4174 
1 1 1  -15   20   14 o  168.098   54.027   23.215   76.065   52.262   88.648 -57.8756  148.116  171.913   73.745  164.283   78.978 7.629929 108.0549 
1 1 1  -15   20   15 o  253.859   57.961  224.726   78.040  260.578   84.738   24.449  200.281  316.137   70.484  191.581   92.033 124.5558 115.9222 
1 1 1  -15   20   16 o  214.055   56.317  142.895   65.774  162.052   69.636 -15.5893  200.294  245.818   69.498  182.293   88.637 63.52484 112.6343 
1 1 1  -15   20   17 o  189.387   58.370   88.034   67.946   93.836   71.586   35.297  215.824  188.097   71.152  190.678   92.551 -2.581238 116.7404 
1 1 1  -15   20   18 o  161.178   50.712   35.260   18.841   34.963   18.912   74.899  218.459  126.290   36.387  196.067   94.673 -69.77766 101.4245 
1 1 1  -15   20   19 o  208.469   61.213  127.663   69.966  123.543   74.696  157.131  199.784  208.053   73.619  208.884   97.817 -0.8310547 122.4252 
1 1 1  -15   20   20 o  247.895   53.256  150.725   32.270  147.610   32.806  243.597  179.108  265.444   31.670  230.347  101.695 35.09752 106.5120 
1 1 1  -15   20   21 o  204.199   47.861  100.341   27.803  100.290   28.173  102.273  172.140  217.647   33.170  190.751   89.791 26.89565 95.72221 
1 1 1  -15   21    1 o  277.206   76.655  223.058  111.502  338.182  206.449  175.646  132.487  304.351  119.321  250.060   96.261 54.29135 153.3094 
1 1 1  -15   21    2 o  363.608   90.709  495.224  156.593  580.278  259.621  446.588  196.325  369.765  136.381  357.451  119.634 12.31442 181.4174 
1 1 1  -15   21    3 o  251.196   63.817  166.118   79.882  120.910  104.895  228.534  123.252  220.835   85.473  281.556   94.788 -60.72049 127.6337 
1 1 1  -15   21    4 o  233.217   57.894  140.212   69.823  192.137   93.369   74.332  105.171  270.029   81.659  196.405   82.090 73.62392 115.7880 
1 1 1  -15   21    5 o  161.666   49.015   11.530   59.767   76.942   82.331 -61.3438   86.900  190.236   75.107  133.096   62.999 57.13977 98.03025 
1 1 1  -15   21    6 o  227.643   70.403  105.902  105.492  219.131  207.473   66.422  122.510  257.895  111.732  197.390   85.688 60.50449 140.8068 
1 1 1  -15   21    7 o  188.170   55.336   68.134   67.304   80.892   88.954   51.052  102.933  193.148   77.472  183.193   79.034 9.955170 110.6718 
1 1 1  -15   21    8 o  229.731   62.411  144.282   78.297  141.615  104.148  147.747  118.738  228.565   85.966  230.897   90.500 -2.332108 124.8212 
1 1 1  -15   21    9 o  156.845   72.059 -10.2874  100.831 -10.2874  100.831   0.0000   0.0000  156.845   72.059  ?   ?       ?      ? 
1 1 1  -15   21   10 o  238.301   86.668  164.768  104.319  164.768  104.319   0.0000   0.0000  238.301   86.668  ?   ?       ?      ? 
1 1 1  -15   21   11 o  199.701   66.322   52.092  119.687  118.055  225.919   26.356  141.118  217.355  102.482  182.048   84.213 35.30711 132.6438 
1 1 1  -15   21   12 o  196.912   49.616   88.055   65.348  180.693   77.984 -130.3674  119.746  258.382   73.719  135.442   66.426 122.9402 99.23214 
1 1 1  -15   21   13 o  155.801   49.191   21.435   55.951   8.5386   66.687   52.098  102.829  137.536   61.311  174.066   76.940 -36.52957 98.38129 
1 1 1  -15   21   14 o  207.639   53.193  128.017   60.544  156.144   70.082   45.266  120.207  239.948   70.311  175.331   79.840 64.61630 106.3867 
1 1 1  -15   21   15 o  150.829   47.526   22.967   56.736   49.593   65.862 -53.6425  111.716  157.832   65.378  143.826   68.997 14.00595 95.05202 
1 1 1  -15   21   16 o  160.792   52.419   23.244   61.995   18.841   68.432   43.398  146.414  142.068   62.783  179.515   83.961 -37.44717 104.8385 
1 1 1  -15   21   17 o  169.634   55.374   33.942   62.122   23.486   66.744  101.693  169.900  143.072   62.656  196.195   91.321 -53.12218 110.7485 
1 1 1  -15   21   18 o  171.230   53.566   56.564   56.800   54.788   61.270   67.424  151.496  158.229   64.003  184.232   85.913 -26.00346 107.1329 
1 1 1  -15   21   19 o  152.706   44.750   38.953   20.411   38.824   20.647   44.521  135.596  131.948   38.021  173.465   81.022 -41.51669 89.49906 
1 1 1  -15   21   20 o  281.808   71.889  174.364   64.254  123.815   67.268  700.716  217.066  206.970   70.025  356.645  125.572 -149.6744 143.7771 
1 1 1  -15   22    1 o  285.909   79.969  237.871  119.118  523.583  234.568  138.590  138.273  346.033  129.234  225.786   94.227 120.2475 159.9381 
1 1 1  -15   22    2 o  163.699   54.616 -22.4514   82.156 -214.8261  201.385   15.958   89.985  166.897   82.658  160.502   71.408 6.395325 109.2313 
1 1 1  -15   22    3 o  333.277   90.845  475.016  159.886  623.768  284.408  406.282  193.328  343.204  138.221  323.350  117.925 19.85428 181.6904 
1 1 1  -15   22    4 o  169.524   52.843   31.429   68.087   26.065  100.307   36.012   92.719  169.307   75.355  169.741   74.103 -0.4344940 105.6866 
1 1 1  -15   22    5 o  190.972   78.366   81.139   93.461   81.139   93.461   0.0000   0.0000  190.972   78.366  ?   ?       ?      ? 
1 1 1  -15   22    6 o  283.478  125.056  426.574  270.348  426.574  270.348   0.0000   0.0000  283.478  125.056  ?   ?       ?      ? 
1 1 1  -15   22    7 o  222.924   81.252  139.492   91.760  139.492   91.760   0.0000   0.0000  222.924   81.252  ?   ?       ?      ? 
1 1 1  -15   22    8 o  167.191   51.397   20.692   69.167  102.416   92.389 -83.5182  104.328  198.582   79.194  135.801   65.536 62.78162 102.7941 
1 1 1  -15   22    9 o  182.595   59.405   42.556   97.222 -149.6194  223.279   87.516  107.997  173.758   86.226  191.433   81.738 -17.67503 118.8109 
1 1 1  -15   22   10 f  134.041   44.709 -36.1031   57.606 -49.9180   71.674 -10.8971   96.815  119.044   56.598  149.038   69.226 -29.99400 89.41788 
1 1 1  -15   22   11 o  190.508   53.620   95.667   57.977  103.125   67.045   73.553  115.448  196.800   69.734  184.216   81.471 12.58421 107.2400 
1 1 1  -15   22   12 o  184.014   50.797   89.128   53.823  106.875   61.539   31.370  111.021  200.749   66.980  167.279   76.389 33.46936 101.5950 
1 1 1  -15   22   13 f  168.529   52.562   11.899   57.639 -32.4229   65.703  159.928  120.074  118.682   55.742  218.377   89.128 -99.69427 105.1235 
1 1 1  -15   22   14 o  223.258   49.903  150.801   63.270  225.245   76.486 -10.5499  112.603  291.905   68.348  154.611   72.731 137.2943 99.80634 
1 1 1  -15   22   15 o  142.851   47.148 -15.3304   61.948 -35.6799   77.926   19.611  102.113  126.998   59.973  158.704   72.766 -31.70644 94.29601 
1 1 1  -15   22   16 o  172.219   52.717   64.452   59.102   66.980   66.466   54.903  129.182  167.604   67.059  176.834   81.361 -9.229599 105.4348 
1 1 1  -15   22   17 o  138.853   45.440   8.1047   48.452   18.923   52.570 -52.9438  124.880  130.148   56.314  147.559   71.329 -17.41144 90.87983 
1 1 1  -15   22   18 o  199.497   54.546  118.303   54.767  119.563   58.830  110.113  149.959  208.945   65.124  190.049   87.522 18.89578 109.0930 
1 1 1  -15   23    1 o  242.703  103.658  226.917  173.777  226.917  173.777   0.0000   0.0000  242.703  103.658  ?   ?       ?      ? 
1 1 1  -15   23    2 o  264.249  118.142  375.015  249.552  375.015  249.552   0.0000   0.0000  264.249  118.142  ?   ?       ?      ? 
1 1 1  -15   23    3 o  220.239   70.264  128.926  113.451  297.968  220.017   67.699  132.413  251.730  111.843  188.747   85.084 62.98315 140.5285 
1 1 1  -15   23    4 o  235.982   72.806  210.368  121.537  250.155  227.462  194.470  143.782  237.311  108.733  234.652   96.850 2.658173 145.6114 
1 1 1  -15   23    5 o  124.850   42.433 -86.8878   63.914 -229.0690  110.055 -14.5339   78.509  113.218   56.836  136.482   63.022 -23.26450 84.86503 
1 1 1  -15   23    6 o  149.858   53.098 -74.0197   71.302 -13.7809  214.466 -81.5053   75.602  186.390   90.871  113.326   54.953 73.06343 106.1954 
1 1 1  -15   23    7 o  270.795   82.632  349.535  143.083  607.248  298.133  272.411  163.093  285.945  128.393  255.646  104.053 30.29900 165.2633 
1 1 1  -15   23    8 o  170.344   53.945   45.984   73.093   50.166   93.769   39.508  116.687  168.641   74.048  172.047   78.468 -3.406067 107.8903 
1 1 1  -15   23    9 o  189.446   58.460   75.240   73.267   41.906   85.945  163.886  140.156  161.780   70.967  217.112   92.919 -55.33220 116.9201 
1 1 1  -15   23   10 o  160.622   50.478   37.603   61.507   45.636   74.422   20.291  109.250  158.761   67.822  162.484   74.782 -3.722717 100.9559 
1 1 1  -15   23   11 o  206.735   57.849  126.174   65.741  124.566   75.850  131.030  131.800  209.078   74.163  204.392   88.803 4.686172 115.6984 
1 1 1  -15   23   12 o  137.011   46.136 -56.0987   63.049 -103.1126   78.136   31.640  106.742  109.357   53.638  164.666   75.081 -55.30909 92.27268 
1 1 1  -15   23   13 o  276.148   72.488  197.359   82.469  118.772   90.214  596.973  203.432  200.445   78.785  351.851  121.701 -151.4055 144.9768 
1 1 1  -15   23   14 o  159.431   52.868   6.7105   68.186 -13.7885   77.191   79.513  145.470  133.073   61.811  185.788   85.788 -52.71541 105.7367 
1 1 1  -15   23   15 o  201.732   60.579  114.444   68.276   98.501   74.285  201.199  173.288  187.403   72.097  216.061   97.372 -28.65784 121.1579 
1 1 1  -15   23   16 o  282.238   45.620  303.758   73.948  400.056   82.058 -112.4101  170.589  411.970   51.042  152.507   75.628 259.4630 91.24045 
1 1 1  -15   24    1 o  156.666   53.122 -42.3716   91.342   9.3008  141.173 -79.5817  119.799  170.797   80.677  142.535   69.131 28.26132 106.2439 
1 1 1  -15   24    2 o  181.903   58.150   61.647   88.434  103.613  128.936   24.368  121.522  195.367   86.266  168.440   77.999 26.92699 116.2998 
1 1 1  -15   24    3 o  161.524   55.894 -55.9360   90.767   62.513  195.123 -88.6453  102.537  192.379   91.995  130.670   63.509 61.70883 111.7878 
1 1 1  -15   24    4 o  197.894   64.978   76.648  103.483  237.889  207.466   23.245  119.396  228.635  104.413  167.153   77.372 61.48256 129.9560 
1 1 1  -15   24    5 o  171.479   55.865   24.405   86.346   96.355  130.288 -31.9461  115.304  192.396   85.738  150.562   71.642 41.83415 111.7297 
1 1 1  -15   24    6 o  178.234   57.206   57.808   86.100   67.850  127.060   49.282  117.078  182.345   82.666  174.122   79.098 8.222839 114.4122 
1 1 1  -15   24    7 o  147.110   53.832 -168.7558   81.670   47.133  244.598 -195.8439   86.642  194.460   95.282   99.760   50.128 94.69979 107.6639 
1 1 1  -15   24    8 o  172.919   56.394   38.249   87.833   62.752  132.009   18.784  117.656  181.288   82.979  164.550   76.392 16.73747 112.7886 
1 1 1  -15   24    9 o  168.666   54.923   30.945   84.493   64.128  115.108  -7.8213  124.415  177.792   79.809  159.540   75.475 18.25258 109.8452 
1 1 1  -15   24   10 o  175.872   57.074   53.267   88.318   70.325  108.483   19.742  152.087  178.057   78.850  173.688   82.539 4.368362 114.1488 
1 1 1  -15   24   11 o  160.253   54.041 -17.3888   80.939 -56.7339   95.018   86.653  154.513  131.878   63.362  188.629   87.561 -56.75050 108.0819 
1 1 1  -15   24   12 o  167.957   56.760  -9.4391   87.487 -63.6456  101.556  146.556  172.280  133.523   64.491  202.392   93.421 -68.86937 113.5193 
1 1 1  -15   24   13 o  213.327   66.669  163.122   96.160  128.987  108.645  286.563  206.605  198.703   83.272  227.951  104.138 -29.24788 133.3376 
1 1 1  -15   25    1 o  167.917   56.817  -6.5168  103.446   8.8686  164.322 -16.6169  133.139  175.128   83.925  160.706   76.610 14.42204 113.6333 
1 1 1  -15   25    2 o  168.237   55.811   16.930   92.397  -3.0064  126.398   39.809  135.404  161.404   76.270  175.071   81.501 -13.66643 111.6221 
1 1 1  -15   25    3 o  253.722   73.863  291.335  118.866  313.159  162.975  266.533  173.744  265.398  105.389  242.046  103.520 23.35243 147.7269 
1 1 1  -15   25    4 o  115.257   57.518 -179.7077  105.202   0.0000   0.0000 -179.7077  105.202  ?   ?   115.257   57.518      ?      ? 
1 1 1  -15   25    5 o  166.040   78.691   5.3114  136.416   0.0000   0.0000   5.3114  136.416  ?   ?   166.040   78.691      ?      ? 
1 1 1  -15   25    6 o  175.568   59.661   10.759  120.946 -69.2337  196.192   59.793  153.605  168.801   83.225  182.335   85.508 -13.53450 119.3227 
1 1 1  -15   25    7 o  180.536   60.873   28.046  119.144  137.605  174.953 -66.7096  162.704  201.570   93.428  159.502   78.059 42.06796 121.7459 
1 1 1  -15   25    8 o  163.800   54.912   6.0945   94.533   32.467  130.313 -23.1999  137.343  169.207   79.162  158.392   76.122 10.81512 109.8232 
1 1 1  -15   25    9 o  170.219   55.906   26.905   94.089  114.519  126.167 -82.8760  141.228  192.536   85.159  147.902   72.455 44.63391 111.8116 
1 1 1  -15   25   10 o  231.225   92.477  212.197  126.345  212.197  126.345   0.0000   0.0000  231.225   92.477  ?   ?       ?      ? 
1 1 1  -15   26    1 o  186.516   63.154   58.315  123.939  200.650  204.366 -24.4884  155.876  210.317   98.630  162.714   78.903 47.60352 126.3075 
1 1 1  -15   26    2 f  153.432   51.968 -36.1499   87.672 -106.5637  116.721   55.003  132.803  132.512   65.109  174.351   81.015 -41.83896 103.9355 
1 1 1  -15   26    3 o  159.338   53.594   0.1749   91.205   17.793  120.687 -23.2856  139.265  161.111   75.631  157.564   75.957 3.546661 107.1890 
1 1 1  -15   26    4 o  237.596   71.165  267.589  113.959  259.214  151.016  278.666  173.673  239.392   99.067  235.799  102.193 3.593323 142.3296 
1 1 1  -15   26    5 o  193.433   62.699  122.441  107.957   73.276  152.073  172.392  153.283  180.128   84.666  206.739   92.499 -26.61160 125.3974 
1 1 1  -14    0    1 o  416.533   17.344  343.372   39.553  343.372   39.553  343.372   39.553  416.533   24.528  416.533   24.528 0.000000 0.000000 
1 1 1  -14    0    2 o  323.956   16.721  208.759   29.529  208.759   29.529  208.759   29.529  323.956   23.647  323.956   23.647 -0.000000 0.000000 
1 1 1  -14    0    3 o  599.641   27.729  717.302   90.862  717.302   90.862  717.302   90.862  599.641   39.214  599.641   39.214 0.000000 0.000000 
1 1 1  -14    0    4 o  275.720   16.664  152.053   24.930  152.053   24.930  152.053   24.930  275.720   23.566  275.720   23.566 0.000000 0.000000 
1 1 1  -14    0    5 o  328.704   16.615  214.717   29.786  214.717   29.786  214.717   29.786  328.704   23.496  328.704   23.496 -0.000000 0.000000 
1 1 1  -14    0    6 o  543.939   18.747  583.733   55.971  583.733   55.971  583.733   55.971  543.939   26.512  543.939   26.512 0.000000 0.000000 
1 1 1  -14    0    7 o  793.455   31.696  1253.70  137.783  1253.70  137.783  1253.70  137.783  793.455   44.825  793.455   44.825 -0.000000 0.000000 
1 1 1  -14    0    8 o  1030.04   25.972  2092.93  147.217  2092.93  147.217  2092.93  147.217  1030.04   36.731  1030.04   36.731 -0.000000 0.000000 
1 1 1  -14    0    9 o  664.782   20.310  870.761   74.197  870.761   74.197  870.761   74.197  664.782   28.723  664.782   28.723 0.000000 0.000000 
1 1 1  -14    0   10 o  436.563   17.610  376.638   42.112  376.638   42.112  376.638   42.112  436.563   24.904  436.563   24.904 0.000000 0.000000 
1 1 1  -14    0   11 o  487.114   18.217  468.371   48.661  468.371   48.661  468.371   48.661  487.114   25.763  487.114   25.763 0.000000 0.000000 
1 1 1  -14    0   12 o  112.223   30.608   33.713   17.977   33.713   17.977   33.713   17.977  112.223   43.286  112.223   43.286 0.000000 0.000000 
1 1 1  -14    0   13 o  689.291   20.708  936.152   78.453  936.152   78.453  936.152   78.453  689.291   29.286  689.291   29.286 0.000000 0.000000 
1 1 1  -14    0   14 o  175.837   19.637   64.888   17.634   64.888   17.634   64.888   17.634  175.837   27.770  175.837   27.770 -0.000000 0.000000 
1 1 1  -14    0   15 o  128.580   25.539   39.187   15.687   39.187   15.687   39.187   15.687  128.580   36.118  128.580   36.118 0.000000 0.000000 
1 1 1  -14    0   16 o  330.241   17.827  217.282   32.055  217.282   32.055  217.282   32.055  330.241   25.211  330.241   25.211 0.000000 0.000000 
1 1 1  -14    0   17 o  570.403   19.475  642.238   60.980  642.238   60.980  642.238   60.980  570.403   27.541  570.403   27.541 0.000000 0.000000 
1 1 1  -14    0   18 o  156.214   24.546   54.378   18.495   54.378   18.495   54.378   18.495  156.214   34.713  156.214   34.713 -0.000000 0.000000 
1 1 1  -14    0   19 o  739.575   31.497  1093.34  127.491  1093.34  127.491  1093.34  127.491  739.575   44.544  739.575   44.544 0.000000 0.000000 
1 1 1  -14    0   20 o  628.484   20.434  780.554   70.535  780.554   70.535  780.554   70.535  628.484   28.899  628.484   28.899 0.000000 0.000000 
1 1 1  -14    0   21 o  410.095   19.188  334.596   42.990  334.596   42.990  334.596   42.990  410.095   27.135  410.095   27.135 0.000000 0.000000 
1 1 1  -14    0   22 o  278.899   20.219  157.786   30.372  157.786   30.372  157.786   30.372  278.899   28.594  278.899   28.594 0.000000 0.000000 
1 1 1  -14    0   23 o  269.971   21.138  148.917   30.508  148.917   30.508  148.917   30.508  269.971   29.894  269.971   29.894 0.000000 0.000000 
1 1 1  -14    0   24 o   89.331   32.506   23.567   20.466   23.567   20.466   23.567   20.466   89.331   45.970   89.331   45.970 -0.000000 0.000000 
1 1 1  -14    0   25 o  120.370   32.773   39.494   20.625   39.494   20.625   39.494   20.625  120.370   46.348  120.370   46.348 0.000000 0.000000 
1 1 1  -14    0   26 o  187.685   27.713   78.694   25.299   78.694   25.299   78.694   25.299  187.685   39.192  187.685   39.192 -0.000000 0.000000 
1 1 1  -14    0   27 o  806.219   23.476  1303.80  104.053  1303.80  104.053  1303.80  104.053  806.219   33.201  806.219   33.201 -0.000000 0.000000 
1 1 1  -14    0   28 o   82.655   31.915   19.884   20.720   19.884   20.720   19.884   20.720   82.655   45.135   82.655   45.135 -0.000000 0.000000 
1 1 1  -14    0   29 o  130.160   50.457   55.149   52.026   55.149   52.026   55.149   52.026  130.160   71.357  130.160   71.357 0.000000 0.000000 
1 1 1  -14    0   30 o  171.798   57.430   99.604   61.650   99.604   61.650   99.604   61.650  171.798   81.218  171.798   81.218 0.000000 0.000000 
1 1 1  -14    0   31 o  208.557   30.157   98.885   30.689   98.885   30.689   98.885   30.689  208.557   42.648  208.557   42.648 0.000000 0.000000 
1 1 1  -14    0   32 o  237.817   33.782  129.765   39.312  129.765   39.312  129.765   39.312  237.817   47.775  237.817   47.775 0.000000 0.000000 
1 1 1  -14    0   33 o  133.719   39.475   53.201   29.146   53.201   29.146   53.201   29.146  133.719   55.826  133.719   55.826 0.000000 0.000000 
1 1 1  -14    1    1 o  269.503   15.596  142.644   16.400  143.763   23.045  141.496   23.344  270.592   21.823  268.414   22.287 2.177887 31.19214 
1 1 1  -14    1    2 o  413.621   17.118  336.335   27.630  333.211   38.910  339.513   39.242  411.683   24.219  415.560   24.198 -3.877472 34.23660 
1 1 1  -14    1    3 o  764.824   30.831  1167.81   91.971  1135.71  127.600  1202.52  132.684  753.992   43.366  775.655   43.835 -21.66266 61.66119 
1 1 1  -14    1    4 o  459.186   17.610  414.519   31.555  420.543   44.857  408.618   44.398  462.495   24.854  455.876   24.956 6.619049 35.22094 
1 1 1  -14    1    5 o  487.047   17.932  466.410   34.082  467.602   48.211  465.219   48.187  487.673   25.333  486.421   25.385 1.251648 35.86337 
1 1 1  -14    1    6 o  575.959   19.002  652.663   42.709  652.404   60.347  652.923   60.452  575.848   26.854  576.070   26.891 -0.2226563 38.00370 
1 1 1  -14    1    7 o  1213.30   42.102  2985.24  199.340  2976.72  281.016  2993.88  282.811  1211.64   59.433  1214.96   59.649 -3.321167 84.20332 
1 1 1  -14    1    8 o  565.978   18.893  629.790   41.728  630.313   58.929  629.264   59.096  566.222   26.669  565.735   26.768 0.4868164 37.78583 
1 1 1  -14    1    9 o  529.521   18.497  550.996   38.219  555.165   53.812  546.753   54.290  531.573   25.941  527.469   26.375 4.103821 36.99420 
1 1 1  -14    1   10 o  616.512   19.578  747.184   47.096  761.458   67.166  733.378   66.057  622.308   27.657  610.716   27.717 11.59210 39.15571 
1 1 1  -14    1   11 o  544.769   18.725  583.088   39.807  589.768   56.509  576.508   56.084  547.873   26.431  541.665   26.532 6.208130 37.45056 
1 1 1  -14    1   12 o  805.495   31.689  1291.27   99.597  1272.57  139.420  1310.75  142.328  799.590   44.681  811.400   44.949 -11.80969 63.37874 
1 1 1  -14    1   13 o  485.400   18.157  462.773   34.389  472.981   49.014  452.876   48.263  490.681   25.597  480.119   25.759 10.56256 36.31437 
1 1 1  -14    1   14 o  616.552   19.701  747.760   47.394  763.252   67.729  732.897   66.343  622.806   27.867  610.298   27.856 12.50824 39.40208 
1 1 1  -14    1   15 o  1074.58   26.848  2288.45  112.518  2239.51  155.901  2341.66  162.556  1062.77   37.590  1086.39   38.343 -23.61743 53.69560 
1 1 1  -14    1   16 o  487.441   18.457  467.380   35.109  466.135   49.473  468.643   49.831  486.796   26.043  488.086   26.162 -1.289520 36.91453 
1 1 1  -14    1   17 o  874.385   23.573  1512.16   80.425  1495.25  112.590  1529.78  114.922  869.449   33.184  879.320   33.491 -9.871399 47.14647 
1 1 1  -14    1   18 o  294.349   18.061  170.486   20.745  170.106   29.222  170.871   29.456  294.025   25.468  294.672   25.615 -0.6466064 36.12161 
1 1 1  -14    1   19 o  215.532   31.374   93.762   25.987   68.835   35.091  124.035   38.671  181.677   48.562  249.387   39.736 -67.71027 62.74703 
1 1 1  -14    1   20 o  564.262   19.627  628.692   43.217  637.415   61.421  620.139   60.819  568.151   27.703  560.373   27.812 7.778381 39.25457 
1 1 1  -14    1   21 o  330.866   18.962  216.018   24.318  251.855   35.293  183.623   33.555  357.180   25.320  304.553   28.233 52.62723 37.92400 
1 1 1  -14    1   22 o  470.388   19.109  438.621   35.074  446.335   49.674  430.952   49.530  474.567   26.822  466.208   27.224 8.358887 38.21799 
1 1 1  -14    1   23 o  444.806   19.179  393.418   33.290  389.660   46.789  397.270   47.374  442.667   27.086  446.945   27.162 -4.277924 38.35855 
1 1 1  -14    1   24 o  148.165   28.364   45.226   16.971   59.593   25.598   33.960   22.668  167.537   39.751  128.792   40.471 38.74483 56.72836 
1 1 1  -14    1   25 o  343.834   20.210  237.648   27.031  261.577   38.524  214.443   37.937  361.321   27.322  326.347   29.789 34.97430 40.42071 
1 1 1  -14    1   26 o  367.993   19.763  272.343   28.376  265.964   39.778  278.952   40.491  363.572   28.036  372.414   27.861 -8.841766 39.52545 
1 1 1  -14    1   27 f  231.057   22.885  108.827   20.518  123.734   29.402   94.678   28.645  247.038   30.499  215.076   34.129 31.96255 45.77100 
1 1 1  -14    1   28 o  128.813   28.780   34.951   16.226   32.258   23.494   37.407   22.437  125.153   41.368  132.473   40.023 -7.319489 57.55979 
1 1 1  -14    1   29 o  287.790   41.133  186.721   45.480  114.849   59.478  287.905   70.573  215.010   65.210  360.571   50.155 -145.5617 82.26677 
1 1 1  -14    1   30 o  286.718   43.793  196.699   48.971  134.988   64.694  279.508   74.941  226.855   67.831  346.580   55.410 -119.7249 87.58591 
1 1 1  -14    1   31 o  481.549   22.045  482.326   41.417  469.163   57.964  496.056   59.201  474.731   31.288  488.367   31.064 -13.63568 44.08960 
1 1 1  -14    1   32 o  388.789   24.962  322.086   37.213  329.281   48.811  312.100   57.506  397.194   31.491  380.384   38.740 16.81027 49.92448 
1 1 1  -14    1   33 o  589.804   23.281  733.474   53.579  723.612   75.114  743.688   76.448  585.862   32.855  593.745   32.994 -7.883606 46.56203 
1 1 1  -14    2    1 o  581.071   19.027  664.433   43.129  645.587   60.016  684.561   62.022  572.566   26.860  589.576   26.957 -17.00989 38.05468 
1 1 1  -14    2    2 o  641.118   19.867  810.007   49.704  816.931   70.512  803.169   70.073  643.848   28.064  638.388   28.128 5.460510 39.73362 
1 1 1  -14    2    3 o  376.351   16.626  277.831   24.399  264.949   33.760  291.917   35.302  367.228   23.558  385.474   23.468 -18.24646 33.25253 
1 1 1  -14    2    4 o  763.810   21.652  1151.26   64.539  1157.30   91.372  1145.24   91.171  765.823   30.574  761.797   30.668 4.026184 43.30475 
1 1 1  -14    2    5 o  444.969   17.506  389.091   30.398  386.310   42.786  391.927   43.196  443.367   24.729  446.571   24.787 -3.204346 35.01289 
1 1 1  -14    2    6 o  739.256   21.253  1076.74   61.297  1100.03   87.915  1054.71   85.509  747.006   30.158  731.506   29.954 15.49982 42.50635 
1 1 1  -14    2    7 o  1001.40   36.473  2012.53  142.482  2053.11  204.840  1974.50  198.318  1010.99   51.920  991.813   51.239 19.17328 72.94630 
1 1 1  -14    2    8 o  561.232   18.844  619.190   41.270  623.299   58.515  615.124   58.215  563.087   26.629  559.376   26.669 3.710693 37.68720 
1 1 1  -14    2    9 o  977.215   25.175  1885.77   95.957  1939.88  138.370  1835.64  133.187  990.641   35.793  963.789   35.412 26.85126 50.34972 
1 1 1  -14    2   10 o  864.102   23.194  1472.62   78.211  1473.05  110.568  1472.19  110.646  864.233   32.784  863.972   32.817 0.2611694 46.38750 
1 1 1  -14    2   11 o  669.157   20.356  880.929   53.156  885.106   75.155  876.748   75.194  670.759   28.712  667.555   28.864 3.203674 40.71252 
1 1 1  -14    2   12 o  764.616   30.786  1160.86   91.776  1202.94  133.357  1123.00  126.495  777.623   43.946  751.608   43.127 26.01434 61.57241 
1 1 1  -14    2   13 o  952.219   24.716  1789.45   91.765  1847.94  133.145  1736.53  126.649  966.906   35.287  937.532   34.617 29.37402 49.43119 
1 1 1  -14    2   14 o  734.510   21.314  1063.20   61.094  1064.71   86.399  1061.68   86.400  735.038   30.121  733.981   30.164 1.056946 42.62829 
1 1 1  -14    2   15 o  409.013   17.772  328.646   28.347  346.209   40.533  311.834   39.658  419.749   24.745  398.277   25.516 21.47174 35.54410 
1 1 1  -14    2   16 o  280.457   17.773  154.663   19.448  156.145   27.357  153.150   27.654  281.837   24.873  279.078   25.392 2.759766 35.54515 
1 1 1  -14    2   17 o  423.654   18.123  352.949   29.956  346.121   41.842  360.128   42.906  419.462   25.562  427.846   25.698 -8.384369 36.24622 
1 1 1  -14    2   18 o  402.827   18.065  318.612   28.362  298.164   39.142  341.215   41.153  389.220   25.770  416.434   25.323 -27.21371 36.12969 
1 1 1  -14    2   19 o  165.882   32.379   58.705   24.225   87.647   31.344   15.766   38.178  206.209   40.396  125.554   50.615 80.65518 64.75848 
1 1 1  -14    2   20 o  448.411   18.783  396.710   32.859  395.523   45.897  397.958   47.063  447.778   26.266  449.044   26.857 -1.265594 37.56604 
1 1 1  -14    2   21 o  429.892   19.157  365.834   32.102  384.454   45.330  347.100   45.469  441.034   26.338  418.750   27.825 22.28415 38.31325 
1 1 1  -14    2   22 o  507.956   19.400  511.474   38.435  499.437   53.329  524.485   55.444  501.803   27.233  514.108   27.636 -12.30478 38.79913 
1 1 1  -14    2   23 o  422.758   22.252  353.337   35.241  341.967   43.769  374.296   59.424  414.628   27.051  430.889   35.340 -16.26135 44.50432 
1 1 1  -14    2   24 o  472.377   23.728  452.237   42.108  445.495   69.236  456.195   53.046  467.300   37.967  477.454   28.470 -10.15411 47.45543 
1 1 1  -14    2   25 o  363.259   19.732  264.706   27.959  262.582   38.894  266.978   40.219  361.881   27.542  364.638   28.264 -2.756561 39.46375 
1 1 1  -14    2   26 o  520.138   20.119  544.018   40.798  523.891   56.205  566.434   59.315  510.111   28.234  530.165   28.670 -20.05365 40.23832 
1 1 1  -14    2   27 o  175.141   26.308   65.713   17.420   59.706   25.120   71.279   24.178  166.503   39.294  183.778   34.991 -17.27446 52.61567 
1 1 1  -14    2   28 o  282.596   21.778  162.749   24.009  158.059   33.901  167.469   34.008  278.349   31.210  286.842   30.382 -8.492798 43.55548 
1 1 1  -14    2   29 o  289.625   22.478  172.532   25.241  198.836   36.422  148.226   35.012  311.703   29.943  267.547   33.534 44.15604 44.95618 
1 1 1  -14    2   30 o  265.039   46.146  184.615   48.512  221.222   65.195  139.201   72.616  304.423   56.973  225.655   72.608 78.76842 92.29239 
1 1 1  -14    2   31 o  491.940   22.169  503.977   42.545  520.310   60.497  487.995   59.845  500.177   30.994  483.703   31.704 16.47382 44.33709 
1 1 1  -14    2   32 f  446.206   24.950  429.388   42.506  476.914   57.093  370.281   63.670  478.885   30.551  413.527   39.455 65.35852 49.90001 
1 1 1  -14    2   33 o  177.107   32.138   71.400   22.121   85.826   34.548   61.375   28.799  191.406   46.672  162.809   44.195 28.59738 64.27699 
1 1 1  -14    3    1 o  462.112   17.673  419.863   31.869  427.418   45.303  412.462   44.839  466.240   24.899  457.983   25.088 8.256439 35.34696 
1 1 1  -14    3    2 o  614.335   19.601  743.349   46.991  743.054   66.360  743.647   66.551  614.219   27.685  614.450   27.755 -0.2307739 39.20222 
1 1 1  -14    3    3 o  355.309   16.360  247.960   22.680  252.195   31.982  243.677   32.166  358.387   22.868  352.230   23.401 6.156250 32.71927 
1 1 1  -14    3    4 o  567.998   18.915  634.643   41.920  647.412   59.832  622.331   58.751  573.612   26.729  562.384   26.770 11.22797 37.82983 
1 1 1  -14    3    5 o  498.113   18.093  487.744   35.169  485.381   49.533  490.146   49.943  496.903   25.544  499.323   25.631 -2.420349 36.18597 
1 1 1  -14    3    6 o  312.222   21.742  203.238   24.337  225.638   30.145  161.303   41.245  339.085   22.781  285.359   37.038 53.72623 43.48315 
1 1 1  -14    3    7 o  904.270   29.641  1585.74   96.217  1728.00  177.728  1526.76  114.437  929.189   49.014  879.351   33.348 49.83820 59.28293 
1 1 1  -14    3    8 f  1013.89   25.677  2033.19  101.592  2041.72  144.153  2024.77  143.197  1015.98   36.358  1011.79   36.267 4.191956 51.35387 
1 1 1  -14    3    9 o  318.581   16.457  199.092   20.457  197.298   28.666  200.954   29.202  317.127   23.164  320.036   23.382 -2.908691 32.91321 
1 1 1  -14    3   10 o  374.409   17.117  275.102   25.008  273.324   35.133  276.927   35.604  373.190   24.125  375.627   24.289 -2.436798 34.23376 
1 1 1  -14    3   11 o  175.428   23.527   62.836   15.028   58.562   25.137   65.213   18.748  168.673   38.972  182.184   26.370 -13.51134 47.05489 
1 1 1  -14    3   12 o  548.463   22.894  591.173   46.271  587.004   56.695  599.489   80.076  546.524   26.583  550.403   37.281 -3.879089 45.78807 
1 1 1  -14    3   13 o  248.683   17.224  121.351   16.707  119.046   23.199  123.834   24.081  246.246   24.142  251.120   24.573 -4.874359 34.44778 
1 1 1  -14    3   14 o  458.489   18.039  413.064   32.272  408.347   45.209  417.966   46.082  455.832   25.415  461.145   25.607 -5.312592 36.07837 
1 1 1  -14    3   15 o  602.486   19.747  714.534   46.418  705.758   64.887  723.733   66.431  598.728   27.771  606.244   28.080 -7.516052 39.49314 
1 1 1  -14    3   16 o  189.982   19.701   70.963   14.556   63.183   20.147   79.459   21.054  179.045   28.834  200.919   26.852 -21.87405 39.40123 
1 1 1  -14    3   17 o  1001.55   25.742  1989.93  100.610  2006.54  142.899  1973.60  141.678  1005.69   36.411  997.409   36.400 8.283081 51.48494 
1 1 1  -14    3   18 o  659.993   20.575  859.416   52.990  869.342   75.323  849.690   74.560  663.770   29.079  656.216   29.116 7.554749 41.14979 
1 1 1  -14    3   19 o  201.853   33.091   81.160   25.140   65.592   31.856  106.863   40.932  177.379   45.730  226.327   47.841 -48.94846 66.18165 
1 1 1  -14    3   20 o  434.807   18.843  372.868   31.954  364.461   44.272  382.010   46.168  429.742   26.399  439.872   26.895 -10.13043 37.68663 
1 1 1  -14    3   21 o  406.912   19.073  327.818   30.266  339.247   42.608  316.177   43.001  414.202   26.360  399.621   27.574 14.58102 38.14636 
1 1 1  -14    3   22 o  168.367   24.189   58.522   15.346   67.158   22.291   50.741   21.159  180.688   32.823  156.046   35.541 24.64247 48.37892 
1 1 1  -14    3   23 o  308.997   25.280  192.809   30.362  193.047   44.967  192.610   41.161  308.701   37.327  309.294   34.103 -0.5926819 50.55964 
1 1 1  -14    3   24 o  340.330   19.895  231.489   26.397  218.146   36.658  245.860   38.044  330.059   28.461  350.602   27.806 -20.54303 39.78925 
1 1 1  -14    3   25 o  280.638   20.954  158.295   22.919  148.633   31.583  169.043   33.311  271.563   29.802  289.712   29.464 -18.14938 41.90805 
1 1 1  -14    3   26 o  260.140   21.255  136.975   21.514  149.880   30.610  124.378   30.244  272.644   28.770  247.636   31.296 25.00743 42.51056 
1 1 1  -14    3   27 o  245.129   22.668  122.685   21.576  136.795   30.604  108.743   30.422  259.759   30.191  230.499   33.821 29.26064 45.33616 
1 1 1  -14    3   28 o  182.056   26.636   70.718   18.281   80.672   26.911   62.188   24.912  194.479   36.807  169.633   38.512 24.84637 53.27263 
1 1 1  -14    3   29 o  343.544   21.707  241.216   29.030  223.170   39.481  262.456   42.832  329.629   30.692  357.459   30.705 -27.83002 43.41461 
1 1 1  -14    3   30 o  212.883   50.171  113.548   45.193   99.387   53.206  150.227   85.630  198.476   61.945  227.291   78.939 -28.81453 100.3417 
1 1 1  -14    3   31 o  465.721   22.734  454.042   41.237  473.836   57.570  433.182   59.098  477.338   30.905  454.103   33.349 23.23456 45.46765 
1 1 1  -14    3   32 o  220.677   27.250  105.400   22.939  114.658   34.293   97.904   30.860  230.839   38.068  210.515   39.000 20.32440 54.49976 
1 1 1  -14    3   33 o  244.542   28.501  132.822   26.395  121.760   38.209  142.919   36.504  230.979   43.996  258.104   36.243 -27.12511 57.00190 
1 1 1  -14    4    1 o  275.297   18.465  129.543   17.959  106.673   20.717  198.670   36.018  233.097   22.775  317.496   29.071 -84.39827 36.92994 
1 1 1  -14    4    2 o  1050.93   26.446  2187.57  108.356  2259.51  157.443  2122.83  149.354  1067.14   37.807  1034.72   36.988 32.41089 52.89106 
1 1 1  -14    4    3 o  707.093   20.800  983.875   57.348  1024.30   83.176  947.242   79.175  720.881   29.567  693.305   29.264 27.57599 41.60012 
1 1 1  -14    4    4 o  929.283   29.990  1697.51  101.054  1660.88  121.612  1779.23  181.641  916.615   33.998  941.950   49.414 -25.33502 59.98058 
1 1 1  -14    4    5 o  743.026   26.321  1107.77   72.549  1141.61   90.445  1046.70  121.492  761.004   30.456  725.048   42.939 35.95612 52.64281 
1 1 1  -14    4    6 o  520.159   37.601  535.953   76.325   0.0000   0.0000  535.953   76.325  ?   ?   520.159   37.601      ?      ? 
1 1 1  -14    4    7 o  753.065   21.496  1117.11   63.166  1129.96   89.916  1104.58   88.757  757.334   30.424  748.795   30.375 8.539001 42.99102 
1 1 1  -14    4    8 o  422.388   17.428  350.281   28.726  351.988   40.512  348.554   40.739  423.437   24.517  421.340   24.777 2.097626 34.85626 
1 1 1  -14    4    9 o  536.995   18.671  565.602   39.091  542.668   53.914  591.024   56.762  525.554   26.288  548.436   26.522 -22.88214 37.34246 
1 1 1  -14    4   10 o  614.835   19.648  743.217   47.139  756.612   66.988  730.077   66.346  620.342   27.671  609.329   27.902 11.01343 39.29666 
1 1 1  -14    4   11 o  622.541   39.241  767.940   95.333   0.0000   0.0000  767.940   95.333  ?   ?   622.541   39.241      ?      ? 
1 1 1  -14    4   12 o  626.492   19.842  771.903   48.502  763.193   67.832  781.015   69.379  622.904   27.905  630.079   28.216 -7.174072 39.68447 
1 1 1  -14    4   13 o  515.973   18.748  522.440   37.697  505.865   51.681  541.285   55.108  507.304   26.106  524.643   26.917 -17.33859 37.49667 
1 1 1  -14    4   14 o  312.776   16.379  192.050   19.875  220.610   28.619  165.449   27.621  335.339   21.870  290.214   24.389 45.12564 32.75813 
1 1 1  -14    4   15 o  124.408   21.072   31.498   10.223   40.447   14.841   23.415   14.103  140.903   27.977  107.914   31.519 32.98937 42.14431 
1 1 1  -14    4   16 o  123.041   21.791   30.582   10.698   41.899   15.603   20.544   14.696  143.291   28.900  102.792   32.620 40.49951 43.58132 
1 1 1  -14    4   17 o  532.604   19.352  558.590   40.187  591.191   57.429  527.309   56.255  547.919   26.859  517.289   27.867 30.63000 38.70352 
1 1 1  -14    4   18 o  389.948   27.373  303.498   41.256  308.629   54.982  296.886   62.410  394.306   35.732  385.591   41.476 8.714752 54.74514 
1 1 1  -14    4   19 o  782.556   22.431  1212.88   68.498  1219.80   96.708  1205.91   97.034  784.851   31.575  780.261   31.868 4.589722 44.86146 
1 1 1  -14    4   20 o  573.583   20.130  651.129   45.034  663.195   63.088  638.593   64.305  579.154   27.914  568.011   29.011 11.14319 40.25920 
1 1 1  -14    4   21 o  278.307   20.261  153.146   21.969  143.472   30.108  164.164   32.130  268.931   28.688  287.682   28.619 -18.75140 40.52276 
1 1 1  -14    4   22 o  306.422   19.181  186.650   22.910  192.682   31.999  180.308   32.815  311.664   26.310  301.180   27.920 10.48413 38.36288 
1 1 1  -14    4   23 o  334.660   25.247  225.428   32.817  237.264   49.300  216.010   43.976  342.100   36.928  327.220   34.438 14.88019 50.49461 
1 1 1  -14    4   24 o  331.994   19.655  221.014   25.298  252.988   36.179  190.420   35.389  356.047   26.038  307.941   29.449 48.10596 39.30951 
1 1 1  -14    4   25 o  129.018   24.124   29.812   13.364   60.224   21.575   10.880   17.023  169.352   33.829   88.684   34.402 80.66730 48.24877 
1 1 1  -14    4   26 o  324.552   20.174  212.540   25.523  218.136   35.595  206.619   36.615  329.250   27.704  319.853   29.334 9.396576 40.34830 
1 1 1  -14    4   27 f  294.510   21.367  176.207   24.370  203.912   34.941  149.964   34.006  317.824   28.172  271.197   32.132 46.62753 42.73316 
1 1 1  -14    4   28 o  109.852   35.838  -2.7407   21.208  -2.1476   22.239  -8.7008   70.499   82.891   36.237  136.814   61.841 -53.92323 71.67531 
1 1 1  -14    4   29 o  232.655   33.998  138.791   28.671   76.055   50.014  169.498   34.991  178.556   60.380  286.755   31.269 -108.1986 67.99653 
1 1 1  -14    4   30 o  576.583   33.247  730.599   62.772  721.672   71.834  759.435  129.110  589.643   31.218  563.523   58.710 26.11951 66.49444 
1 1 1  -14    4   31 o  350.066   27.291  265.280   35.758  256.837   58.612  270.286   45.131  340.602   44.097  359.530   32.167 -18.92795 54.58205 
1 1 1  -14    4   32 o  307.884   24.703  201.601   29.574  186.154   42.230  216.469   41.429  295.013   36.681  320.755   33.098 -25.74210 49.40656 
1 1 1  -14    4   33 o  462.982   23.146  452.707   41.792  452.780   58.112  452.629   60.146  463.679   32.116  462.284   33.340 1.395355 46.29244 
1 1 1  -14    5    1 o  742.348   29.604  1071.83   84.367  1234.73  134.850  967.064  108.146  786.916   43.913  697.781   39.716 89.13458 59.20873 
1 1 1  -14    5    2 o  411.892   24.627  332.519   39.401  370.415   59.226  302.431   52.773  432.715   35.074  391.069   34.580 41.64566 49.25383 
1 1 1  -14    5    3 o  412.555   19.426  326.910   29.518  311.775   35.830  358.881   52.076  398.558   23.037  426.552   31.285 -27.99435 38.85145 
1 1 1  -14    5    4 f  379.919   20.756  290.235   29.221  305.025   36.592  264.204   48.546  394.166   23.789  365.672   34.019 28.49347 41.51200 
1 1 1  -14    5    5 o  659.471   25.081  880.358   61.617  937.539   77.994  785.405  100.506  690.096   28.961  628.846   40.956 61.24933 50.16122 
1 1 1  -14    5    6 o  568.185   26.959  634.687   59.775   0.0000   0.0000  634.687   59.775  ?   ?   568.185   26.959      ?      ? 
1 1 1  -14    5    7 o  577.656   19.132  655.707   43.118  644.834   60.220  667.146   61.766  572.762   26.942  582.551   27.170 -9.788757 38.26342 
1 1 1  -14    5    8 o  726.076   21.227  1037.41   60.125  1017.96   83.680  1058.17   86.447  719.089   29.820  733.065   30.219 -13.97614 42.45461 
1 1 1  -14    5    9 o  415.974   17.208  339.116   27.898  364.335   40.239  315.773   38.713  430.885   23.931  401.064   24.735 29.82056 34.41650 
1 1 1  -14    5   10 o  746.858   26.492  1091.95   72.142  1136.91  128.227  1071.13   87.263  756.193   43.453  737.523   30.319 18.66980 52.98482 
1 1 1  -14    5   11 o  388.517   20.513  287.256   29.403  268.663   35.629  326.961   52.065  369.915   24.681  407.120   32.771 -37.20425 41.02564 
1 1 1  -14    5   12 o  484.122   18.368  460.694   34.692  466.212   48.686  455.001   49.447  487.117   25.612  481.128   26.336 5.988220 36.73616 
1 1 1  -14    5   13 o  462.547   18.268  420.679   32.960  435.464   46.623  405.908   46.602  470.733   25.380  454.361   26.283 16.37283 36.53663 
1 1 1  -14    5   14 o  691.308   20.881  941.088   56.306  974.040   81.072  910.382   78.261  702.983   29.552  679.633   29.508 23.34937 41.76197 
1 1 1  -14    5   15 o  393.992   18.055  305.425   27.746  312.127   38.916  298.497   39.568  398.451   25.028  389.534   26.030 8.916473 36.11008 
1 1 1  -14    5   16 o  166.617   20.812   56.085   13.098   66.377   18.574   45.904   18.473  183.669   25.914  149.564   32.572 34.10471 41.62303 
1 1 1  -14    5   17 o  769.303   22.123  1169.04   66.402  1199.02   95.043  1140.45   92.811  778.942   31.267  759.664   31.307 19.27783 44.24652 
1 1 1  -14    5   18 o  382.678   28.520  298.331   41.656  344.826   56.693  243.778   61.410  416.846   34.852  348.510   45.154 68.33615 57.03934 
1 1 1  -14    5   19 o  533.807   19.570  562.394   40.741  555.677   56.483  569.678   58.820  530.576   27.280  537.037   28.067 -6.461914 39.13972 
1 1 1  -14    5   20 o  436.226   19.551  376.362   33.058  436.305   47.691  320.921   45.865  470.000   26.002  402.453   29.204 67.54694 39.10196 
1 1 1  -14    5   21 o  308.424   19.309  189.306   23.079  215.339   32.719  163.528   32.559  329.936   25.412  286.913   29.080 43.02344 38.61873 
1 1 1  -14    5   22 o  162.236   24.975   54.839   15.352   56.555   22.251   53.281   21.208  164.624   35.666  159.849   34.971 4.775604 49.95016 
1 1 1  -14    5   23 o  359.220   34.318  260.735   48.108   0.0000   0.0000  260.735   48.108  ?   ?   359.220   34.318      ?      ? 
1 1 1  -14    5   24 o  491.515   20.162  484.744   38.628  483.471   53.359  486.147   55.993  491.154   27.839  491.875   29.171 -0.7210693 40.32309 
1 1 1  -14    5   25 o  178.765   25.640   67.600   17.491   56.615   25.526   77.321   24.014  162.203   40.461  195.327   31.504 -33.12437 51.28006 
1 1 1  -14    5   26 o  150.872   27.927   49.002   16.563   48.147   24.995   49.672   22.117  149.418   41.425  152.326   37.466 -2.907364 55.85405 
1 1 1  -14    5   27 o  590.391   21.602  705.846   49.600  677.946   66.948  739.794   73.849  578.177   29.672  602.605   31.404 -24.42786 43.20424 
1 1 1  -14    5   28 o  157.277   40.137   52.593   25.213   56.815   26.459   10.907   83.141  160.691   41.798  153.864   68.534 6.826523 80.27451 
1 1 1  -14    5   29 o  127.423   40.084   10.318   33.128   16.265   36.263 -19.6855   81.445  117.004   48.493  137.842   63.839 -20.83815 80.16853 
1 1 1  -14    5   30 o  376.749   28.945  311.308   39.831  295.312   67.996  319.665   49.145  362.042   48.128  391.457   32.171 -29.41537 57.88993 
1 1 1  -14    5   31 o  220.944   33.171  111.970   26.228  109.727   47.294  112.967   31.520  210.899   56.379  230.990   34.967 -20.09088 66.34174 
1 1 1  -14    5   32 o  374.671   23.337  293.640   33.980  332.776   50.126  260.364   46.221  398.239   32.255  351.102   33.735 47.13672 46.67310 
1 1 1  -14    5   33 o   72.912   24.034 -10.7305   14.580 -34.2635   32.105  -4.6157   16.365   78.117   37.344   67.706   30.264 10.41032 48.06752 
1 1 1  -14    6    1 o  404.035   22.083  321.680   34.795  339.072   49.849  305.157   48.589  414.735   30.800  393.335   31.655 21.40079 44.16701 
1 1 1  -14    6    2 o  445.840   34.886  392.917   60.696   0.0000   0.0000  392.917   60.696  ?   ?   445.840   34.886      ?      ? 
1 1 1  -14    6    3 o  752.731   25.534  1111.27   71.346  1090.14   87.861  1152.19  122.248  743.846   30.268  761.616   41.132 -17.77069 51.06803 
1 1 1  -14    6    4 o  459.012   25.127  413.820   45.009  413.820   45.009   0.0000   0.0000  459.012   25.127  ?   ?       ?      ? 
1 1 1  -14    6    5 o  395.014   24.403  297.051   36.470  424.151   57.305  210.527   47.281  463.858   31.658  326.171   37.146 137.6866 48.80614 
1 1 1  -14    6    6 o  239.529   20.564  107.360   17.471  100.293   20.470  126.313   33.523  226.101   23.200  252.958   33.960 -26.85684 41.12824 
1 1 1  -14    6    7 o  497.836   22.339  505.310   41.818  580.079   55.174  404.381   64.104  543.406   26.018  452.265   36.321 91.14160 44.67850 
1 1 1  -14    6    8 o  347.961   17.405  237.450   23.611  232.885   32.561  242.513   34.288  344.470   24.223  351.451   25.000 -6.981445 34.81000 
1 1 1  -14    6    9 o  719.958   30.298  1020.70   85.124   0.0000   0.0000  1020.70   85.124  ?   ?   719.958   30.298      ?      ? 
1 1 1  -14    6   10 o  334.937   24.283  221.736   31.141  168.716   42.803  281.360   45.391  291.960   37.568  377.913   30.778 -85.95291 48.56607 
1 1 1  -14    6   11 o  423.552   17.779  352.504   29.375  359.482   41.242  345.320   41.849  427.857   24.701  419.248   25.579 8.609222 35.55844 
1 1 1  -14    6   12 o  224.574   17.954   99.214   15.677  100.485   21.357   97.729   23.084  226.208   24.194  222.940   26.534 3.267715 35.90776 
1 1 1  -14    6   13 o  684.491   20.843  923.300   55.674  924.248   78.382  922.334   79.092  684.880   29.327  684.102   29.626 0.7778931 41.68694 
1 1 1  -14    6   14 o  321.079   18.259  203.315   22.813  214.618   31.726  191.214   32.826  330.462   24.602  311.697   26.987 18.76550 36.51768 
1 1 1  -14    6   15 o  171.752   20.932   59.100   13.668   52.066   19.046   66.570   19.628  159.644   31.689  183.861   27.356 -24.21666 41.86353 
1 1 1  -14    6   16 o  709.810   21.345  993.942   59.094  977.429   82.007  1011.78   85.230  703.768   29.860  715.851   30.510 -12.08228 42.69027 
1 1 1  -14    6   17 o  266.420   32.723  147.966   30.604  153.432   37.184  136.490   53.881  278.224   34.247  254.616   55.770 23.60809 65.44617 
1 1 1  -14    6   18 o  468.516   19.162  430.977   34.954  402.435   47.548  464.538   51.559  451.737   26.972  485.294   27.225 -33.55713 38.32346 
1 1 1  -14    6   19 o  426.480   19.025  359.758   31.595  385.072   44.555  334.153   44.810  441.793   25.843  411.168   27.927 30.62445 38.05002 
1 1 1  -14    6   20 o  252.815   19.537  126.949   19.192  139.892   27.081  113.890   27.202  266.000   26.088  239.629   29.089 26.37166 39.07373 
1 1 1  -14    6   21 o  523.752   20.010  545.862   40.838  569.349   57.158  521.370   58.367  535.589   27.347  511.914   29.217 23.67575 40.01916 
1 1 1  -14    6   22 o  347.912   25.903  244.757   34.811  245.190   53.097  244.431   46.100  347.299   39.177  348.525   33.895 -1.226166 51.80505 
1 1 1  -14    6   23 o  482.013   20.107  463.298   37.702  443.697   50.956  487.008   56.044  471.095   27.718  492.931   29.135 -21.83612 40.21309 
1 1 1  -14    6   24 o  158.901   26.078   53.541   15.775   54.070   23.798   53.126   21.069  159.159   38.692  158.643   34.974 0.5165405 52.15567 
1 1 1  -14    6   25 o  344.787   20.744  237.804   27.775  218.511   37.112  262.370   41.878  329.205   28.888  360.370   29.778 -31.16479 41.48806 
1 1 1  -14    6   26 o  400.753   20.772  323.473   32.384  309.047   43.762  340.936   48.147  391.254   28.662  410.251   30.074 -18.99722 41.54420 
1 1 1  -14    6   27 o  277.314   22.618  157.195   24.471  160.638   34.562  153.733   34.654  280.522   31.572  274.106   32.397 6.415771 45.23639 
1 1 1  -14    6   28 o  155.758   44.652   32.761   25.299   28.908   26.304   80.297   92.399  121.576   43.615  189.940   77.929 -68.36415 89.30388 
1 1 1  -14    6   29 o  305.185   47.346  255.417   51.914  282.067   61.579  189.936   96.524  359.221   43.928  251.149   83.886 108.0720 94.69193 
1 1 1  -14    6   30 o  176.900   31.624   83.421   24.154   20.995   47.263  105.488   28.100  129.002   54.536  224.799   32.032 -95.79701 63.24767 
1 1 1  -14    6   31 o  134.576   33.643   35.757   18.779   45.812   42.567   33.326   20.926  145.512   54.909  123.640   38.890 21.87175 67.28669 
1 1 1  -14    6   32 o  286.159   25.582  176.438   28.247  163.258   42.008  187.315   38.162  274.083   39.276  298.236   32.790 -24.15271 51.16404 
1 1 1  -14    7    1 o  692.035   28.414  949.048   76.676  899.317  106.696  1002.16  110.266  673.183   40.615  710.886   39.747 -37.70270 56.82777 
1 1 1  -14    7    2 o  419.287   25.936  346.674   42.364  329.292   57.869  366.746   62.186  408.050   36.341  430.523   37.014 -22.47302 51.87228 
1 1 1  -14    7    3 o  634.870   28.194  792.825   69.850  792.825   69.850   0.0000   0.0000  634.870   28.194  ?   ?       ?      ? 
1 1 1  -14    7    4 o  241.059   23.973  111.101   22.161   95.647   28.322  135.504   35.591  220.196   32.959  261.923   34.820 -41.72717 47.94538 
1 1 1  -14    7    5 o  383.715   21.066  290.638   29.664  292.196   36.307  287.510   51.449  385.852   24.112  381.578   34.551 4.273407 42.13295 
1 1 1  -14    7    6 o  277.634   22.091  154.048   21.954  157.544   26.429  146.265   39.431  283.344   23.902  271.923   37.159 11.42139 44.18227 
1 1 1  -14    7    7 o  1052.84   30.995  2199.85  122.282  2188.22  152.842  2220.53  203.827  1051.74   37.239  1053.94   49.558 -2.198730 61.99012 
1 1 1  -14    7    8 o  813.584   27.199  1310.24   82.052  1309.14  101.376  1312.32  139.716  814.958   31.876  812.210   44.080 2.747864 54.39831 
1 1 1  -14    7    9 o  329.846   88.717  237.292  116.683   0.0000   0.0000  237.292  116.683  ?   ?   329.846   88.717      ?      ? 
1 1 1  -14    7   10 o  527.236   26.282  546.329   54.074  546.329   54.074   0.0000   0.0000  527.236   26.282  ?   ?       ?      ? 
1 1 1  -14    7   11 o  455.900   18.557  409.097   32.966  420.160   45.796  397.199   47.492  462.415   25.378  449.385   27.082 13.03085 37.11442 
1 1 1  -14    7   12 o  777.634   22.578  1192.82   68.458  1175.26   94.627  1212.11   99.162  771.773   31.419  783.495   32.432 -11.72229 45.15530 
1 1 1  -14    7   13 o  313.511   18.360  193.301   22.430  193.158   30.899  193.461   32.612  313.454   25.260  313.567   26.652 -0.1130066 36.72047 
1 1 1  -14    7   14 o  697.973   21.210  960.909   57.753  956.400   80.581  965.673   82.816  696.375   29.652  699.570   30.336 -3.194153 42.42043 
1 1 1  -14    7   15 o  518.733   19.336  530.313   39.115  550.203   55.138  510.163   55.498  528.638   26.728  508.827   27.950 19.81131 38.67241 
1 1 1  -14    7   16 o  228.475   18.807  103.240   16.689  112.862   23.359   93.208   23.853  239.519   24.991  217.431   28.111 22.08807 37.61414 
1 1 1  -14    7   17 f  243.848   33.489  103.077   26.460   86.357   29.702  167.371   58.243  205.071   38.530  282.624   54.786 -77.55324 66.97797 
1 1 1  -14    7   18 o  298.160   19.220  175.149   22.314  170.844   30.412  180.169   32.843  294.286   26.481  302.034   27.865 -7.747559 38.44094 
1 1 1  -14    7   19 o  545.174   20.156  588.244   42.834  584.182   59.101  592.739   62.168  543.365   27.872  546.982   29.125 -3.616821 40.31264 
1 1 1  -14    7   20 o  199.205   21.983   80.109   16.610   91.228   23.830   69.601   23.166  214.393   28.482  184.018   33.493 30.37561 43.96642 
1 1 1  -14    7   21 o  480.173   20.120  458.942   37.570  458.575   51.063  459.376   55.476  480.361   27.240  479.985   29.617 0.3755798 40.23923 
1 1 1  -14    7   22 o  371.071   34.246  277.940   49.590   0.0000   0.0000  277.940   49.590  ?   ?   371.071   34.246      ?      ? 
1 1 1  -14    7   23 o  438.194   20.278  384.705   34.590  378.396   47.135  392.068   50.918  434.671   27.788  441.716   29.539 -7.044647 40.55522 
1 1 1  -14    7   24 o  186.070   23.999   70.864   16.991   82.842   25.367   61.117   22.883  202.093   32.166  170.046   35.625 32.04727 47.99728 
1 1 1  -14    7   25 o  336.896   20.923  227.703   27.405  208.918   36.906  250.792   40.917  321.591   29.408  352.200   29.770 -30.60962 41.84592 
1 1 1  -14    7   26 o  204.289   25.293   86.660   19.622  101.196   28.816   74.092   26.795  222.459   33.193  186.118   38.172 36.34021 50.58551 
1 1 1  -14    7   27 o  113.478   26.650   26.565   14.381   11.266   24.474   34.634   17.774   99.578   40.391  127.378   34.779 -27.80001 53.30060 
1 1 1  -14    7   28 o  214.254   30.671  104.791   23.745   87.792   40.513  113.687   29.306  193.885   52.329  234.623   32.008 -40.73750 61.34213 
1 1 1  -14    7   29 o  205.161   44.808   99.794   31.641   97.931   33.821  112.864   89.583  209.066   42.893  201.257   78.684 7.809738 89.61525 
1 1 1  -14    7   30 o   82.886   25.246   4.7144   13.111 -53.5509   39.088   12.101   13.917   81.376   39.473   84.396   31.487 -3.020271 50.49271 
1 1 1  -14    7   31 o  121.288   29.895   31.550   16.816   18.639   33.567   35.877   19.430  114.903   47.036  127.673   36.910 -12.77003 59.78961 
1 1 1  -14    7   32 o  561.693   32.876  665.942   72.064  665.942   72.064   0.0000   0.0000  561.693   32.876  ?   ?       ?      ? 
1 1 1  -14    8    1 f  499.836   26.022  488.500   50.312  454.314   66.086  535.628   77.594  479.538   35.315  520.134   38.228 -40.59631 52.04325 
1 1 1  -14    8    2 o  357.639   23.644  251.220   32.909  267.789   48.802  237.403   44.565  368.343   33.951  346.935   32.917 21.40814 47.28851 
1 1 1  -14    8    3 o  649.638   27.993  817.619   70.059  958.760  110.382  722.405   90.660  695.252   40.684  604.023   38.462 91.22919 55.98667 
1 1 1  -14    8    4 o  606.130   23.492  719.810   52.877  708.839   65.196  740.901   90.393  600.414   27.825  611.847   37.858 -11.43402 46.98384 
1 1 1  -14    8    5 o  252.784   25.754  147.246   20.767  173.911   25.095   89.301   36.993  297.854   21.590  207.713   46.764 90.14171 51.50737 
1 1 1  -14    8    6 o  288.324   20.528  160.137   20.662  156.036   24.156  171.318   39.886  282.108   21.942  294.540   34.701 -12.43158 41.05638 
1 1 1  -14    8    7 o  313.308   27.563  195.758   33.466  215.137   46.443  174.828   48.266  329.884   36.077  296.733   41.682 33.15198 55.12630 
1 1 1  -14    8    8 o  574.474  114.076  747.226  246.719   0.0000   0.0000  747.226  246.719  ?   ?   574.474  114.076      ?      ? 
1 1 1  -14    8    9 o  750.748   68.943  1204.02   92.077  1202.53   95.177  1225.70  363.717  781.017   31.228  720.479  134.304 60.53821 137.8867 
1 1 1  -14    8   10 o  620.144   24.346  776.460   56.416  823.780   71.579  698.857   91.665  646.909   28.354  593.380   39.586 53.52899 48.69244 
1 1 1  -14    8   11 o  389.032   22.269  272.979   30.431  243.845   35.197  359.225   60.560  352.200   25.609  425.863   36.440 -73.66357 44.53876 
1 1 1  -14    8   12 o  429.647   22.591  359.978   34.630  353.437   41.162  375.822   64.064  424.058   24.874  435.235   37.719 -11.17728 45.18182 
1 1 1  -14    8   13 o  496.407   26.401  517.008   45.860  561.071   55.419  421.287   81.682  533.939   26.597  458.875   45.614 75.06400 52.80198 
1 1 1  -14    8   14 o  599.532   20.517  707.741   47.877  695.164   65.162  722.497   70.580  593.944   28.114  605.120   29.889 -11.17627 41.03316 
1 1 1  -14    8   15 o  562.553   20.099  623.759   44.044  620.120   60.420  627.885   64.342  560.971   27.600  564.135   29.226 -3.164612 40.19872 
1 1 1  -14    8   16 o  645.284   31.041  828.602   76.908  803.955   99.580  865.036  121.071  634.828   40.196  655.740   47.313 -20.91211 62.08240 
1 1 1  -14    8   17 o  344.260   19.687  229.540   26.192  195.197   34.507  276.225   40.232  314.413   28.124  374.108   27.558 -59.69550 39.37481 
1 1 1  -14    8   18 o  205.307   22.330   84.699   17.380   72.775   24.102   97.617   25.086  188.533   34.010  222.081   28.945 -33.54845 44.66012 
1 1 1  -14    8   19 o  256.220   19.770  130.653   19.601  150.866   27.852  110.817   27.590  276.228   25.838  236.211   29.931 40.01712 39.54062 
1 1 1  -14    8   20 o  162.228   24.337   54.914   14.928   49.036   21.488   60.399   20.754  153.208   36.466  171.248   32.239 -18.03961 48.67353 
1 1 1  -14    8   21 o  244.933   32.569  140.855   28.588   77.314   45.796  181.424   36.593  188.918   57.202  300.948   31.158 -112.0297 65.13807 
1 1 1  -14    8   22 o  277.391   20.771  154.558   22.433  159.520   31.034  149.130   32.463  282.362   28.164  272.420   30.536 9.942413 41.54153 
1 1 1  -14    8   23 o  501.380   21.180  504.840   41.203  491.365   55.099  521.935   62.061  494.540   28.550  508.220   31.292 -13.67947 42.35949 
1 1 1  -14    8   24 o  268.527   21.798  145.723   22.820  138.717   31.477  153.484   33.130  261.741   30.817  275.314   30.836 -13.57355 43.59571 
1 1 1  -14    8   25 o  173.573   27.257   65.818   18.433   46.222   27.522   81.759   24.823  146.628   44.333  200.519   31.723 -53.89131 54.51413 
1 1 1  -14    8   26 o  358.803   22.251  259.342   30.962  227.254   41.344  300.317   46.720  333.699   31.749  383.906   31.185 -50.20749 44.50270 
1 1 1  -14    8   27 o  541.116   22.089  595.631   46.329  562.443   61.421  639.437   70.566  524.785   29.992  557.446   32.438 -32.66125 44.17883 
1 1 1  -14    8   28 o  143.398   44.114   25.599   30.199   25.542   31.610   26.203  102.193  121.045   46.901  165.751   74.730 -44.70654 88.22851 
1 1 1  -14    8   29 o  322.075   22.958  216.978   28.811  207.847   41.215  225.704   40.290  314.714   33.559  329.436   31.340 -14.72238 45.91687 
1 1 1  -14    8   30 f  115.420   29.085   27.455   15.952   15.968   31.421   31.444   18.515  110.533   45.407  120.306   36.360 -9.773651 58.17099 
1 1 1  -14    8   31 o  287.667   24.892  172.933   27.615  196.149   43.268  156.977   35.871  302.695   36.630  272.639   33.715 30.05551 49.78410 
1 1 1  -14    8   32 o  345.029   25.834  256.481   34.780  261.083   49.570  252.018   48.812  348.118   36.489  341.940   36.580 6.177765 51.66731 
1 1 1  -14    9    1 o  531.703   26.236  559.319   54.424  572.211   76.850  546.349   77.084  537.946   36.608  525.459   37.592 12.48627 52.47195 
1 1 1  -14    9    2 o  321.989   47.018  244.374   44.574  166.186  106.017  261.162   49.127  280.300   87.433  363.678   34.615 -83.37845 94.03627 
1 1 1  -14    9    3 o  438.452   24.721  379.724   42.244  380.198   58.303  379.200   61.293  438.878   34.042  438.026   35.857 0.8522339 49.44299 
1 1 1  -14    9    4 o  988.178   30.139  1920.11  110.029  1878.68  134.750  2003.01  190.595  975.099   35.412  1001.26   48.779 -26.15765 60.27772 
1 1 1  -14    9    5 o  536.637   54.305  591.097   55.084  589.287   57.115  615.192  208.431  547.571   26.729  525.703  105.271 21.86792 108.6108 
1 1 1  -14    9    6 o  364.243   26.918  261.641   37.926  216.892   51.907  312.887   55.548  330.658   40.227  397.829   35.780 -67.17108 53.83674 
1 1 1  -14    9    7 o  635.916   59.704  821.100   69.539  816.007   71.900  894.852  273.603  643.922   28.613  627.911  115.929 16.01117 119.4078 
1 1 1  -14    9    8 o  395.731   49.318  384.438   40.982  397.872   43.103  257.905  132.284  450.101   24.539  341.361   95.535 108.7399 98.63615 
1 1 1  -14    9    9 f  411.983   22.816  338.065   33.773  343.032   40.691  327.065   60.549  417.843   24.955  406.123   38.205 11.71964 45.63284 
1 1 1  -14    9   10 o  589.124   24.570  696.193   53.129  716.359   65.477  657.324   90.902  603.239   27.814  575.009   40.510 28.22943 49.13962 
1 1 1  -14    9   11 o  344.581   28.216  228.066   37.222  179.087   48.151  300.802   58.677  299.959   41.135  389.202   38.633 -89.24283 56.43218 
1 1 1  -14    9   12 f  388.444   23.320  237.484   29.230  198.262   32.227  419.412   69.406  317.452   26.014  459.435   38.712 -141.9832 46.64046 
1 1 1  -14    9   13 o  155.432   32.306   49.634   16.300   52.400   17.221   25.827   50.529  163.126   27.052  147.738   58.677 15.38799 64.61275 
1 1 1  -14    9   14 o  347.401   26.383  216.658   29.460  200.898   32.802  282.396   66.995  319.441   26.314  375.361   45.736 -55.92038 52.76540 
1 1 1  -14    9   15 o  521.605   30.391  538.723   59.538  524.023   74.274  565.149   99.586  513.406   37.072  529.804   48.167 -16.39771 60.78160 
1 1 1  -14    9   16 o  423.096   28.345  365.553   39.443  372.925   45.285  342.382   80.281  434.882   26.684  411.309   50.016 23.57272 56.68928 
1 1 1  -14    9   17 o  200.636   37.144  102.093   23.939  111.739   25.221   14.375   76.058  237.847   27.173  163.424   69.141 74.42255 74.28867 
1 1 1  -14    9   18 o  554.206   31.290  610.549   67.671   0.0000   0.0000  610.549   67.671  ?   ?   554.206   31.290      ?      ? 
1 1 1  -14    9   19 o  269.823   20.948  143.889   21.981  129.753   29.809  160.736   32.541  255.341   29.916  284.304   29.330 -28.96284 41.89524 
1 1 1  -14    9   20 o  228.159   32.248  113.019   25.597   98.713   47.053  119.032   30.505  212.563   55.958  243.756   32.069 -31.19286 64.49572 
1 1 1  -14    9   21 o  225.639   34.081  119.827   27.619   77.681   49.610  138.758   33.248  188.770   59.938  262.508   32.456 -73.73764 68.16114 
1 1 1  -14    9   22 o  207.588   24.335   89.765   18.891   69.965   26.676  109.686   26.757  181.556   38.826  233.621   29.349 -52.06522 48.67029 
1 1 1  -14    9   23 o  238.966   22.333  115.960   20.735  128.369   29.380  103.648   29.266  252.202   29.852  225.729   33.224 26.47353 44.66503 
1 1 1  -14    9   24 o   66.156   20.268  -1.2693   7.3629   6.2323   17.961  -2.7847   8.0724   84.110   34.416   48.201   21.419 35.90913 40.53677 
1 1 1  -14    9   25 o  737.559   36.385  1122.68  104.726   0.0000   0.0000  1122.68  104.726  ?   ?   737.559   36.385      ?      ? 
1 1 1  -14    9   26 o  507.013   32.894  527.881   65.082   0.0000   0.0000  527.881   65.082  ?   ?   507.013   32.894      ?      ? 
1 1 1  -14    9   27 o  128.269   29.101   36.067   16.303   24.636   30.026   40.847   19.415  119.264   45.848  137.274   35.852 -18.01027 58.20107 
1 1 1  -14    9   28 f  120.843   36.319   19.353   26.275   33.121   27.204 -171.9408  101.403  126.186   44.452  115.500   57.449 10.68662 72.63831 
1 1 1  -14    9   29 o  104.313   27.383   20.621   13.881   7.5713   29.969   24.185   15.662  101.617   43.215  107.010   33.643 -5.392944 54.76653 
1 1 1  -14    9   30 o  291.399   38.542  219.590   35.297  165.906   71.305  237.015   40.623  245.402   70.640  337.396   30.853 -91.99330 77.08424 
1 1 1  -14    9   31 o  183.717   31.159   83.061   23.139   48.863   37.745  103.653   29.289  146.247   52.270  221.188   33.932 -74.94051 62.31752 
1 1 1  -14   10    1 o  697.412   92.406  1133.64  242.184  1079.16  338.701  1190.63  346.429  678.098  132.746  716.725  128.584 -38.62628 184.8122 
1 1 1  -14   10    2 o  209.082   48.717   86.883   46.201   77.450   68.285   94.847   62.742  202.686   70.486  215.478   67.269 -12.79143 97.43463 
1 1 1  -14   10    3 f  443.613   25.327  389.629   43.731  397.582   60.091  380.676   63.761  448.671   34.320  438.556   37.256 10.11453 50.65475 
1 1 1  -14   10    4 f  135.959   31.101   35.396   18.471   37.654   29.736   33.978   23.569  140.517   46.544  131.401   41.264 9.115936 62.20218 
1 1 1  -14   10    5 o  344.329   46.606  229.268   46.529  220.568   50.825  274.305  115.637  333.519   39.050  355.140   84.638 -21.62106 93.21237 
1 1 1  -14   10    6 o  190.826   35.098   69.679   18.274   69.296   19.250   73.173   58.125  187.750   26.273  193.903   65.094 -6.152802 70.19643 
1 1 1  -14   10    7 o  322.095   41.818  218.292   29.443  219.303   30.876  208.159   97.779  334.211   23.674  309.979   80.215 24.23135 83.63593 
1 1 1  -14   10    8 o  270.487   27.861  163.317   23.742  180.539   27.852  117.530   45.413  303.226   23.537  237.748   50.506 65.47742 55.72166 
1 1 1  -14   10    9 o  646.232   25.230  834.492   60.251  851.310   74.582  802.899  102.224  657.284   29.077  635.179   41.240 22.10480 50.46040 
1 1 1  -14   10   10 o  558.095   24.141  595.937   48.463  565.936   57.563  668.969   89.811  536.123   27.514  580.068   39.675 -43.94501 48.28167 
1 1 1  -14   10   11 o  591.251   25.052  686.743   53.636  676.893   64.569  708.670   96.340  586.117   28.230  596.386   41.395 -10.26892 50.10435 
1 1 1  -14   10   12 o  191.059   32.530   72.044   18.454   71.555   19.931   74.978   48.849  190.637   26.791  191.482   59.287 -0.8451843 65.05974 
1 1 1  -14   10   13 o  285.374   32.895  174.165   27.298  179.188   30.406  153.291   61.985  301.729   25.823  269.018   60.510 32.71094 65.78951 
1 1 1  -14   10   14 o  350.593   30.639  163.367   31.596  128.674   33.807  402.771   88.809  254.777   34.003  446.409   50.979 -191.6329 61.27880 
1 1 1  -14   10   15 o  230.026   35.998   93.229   21.917   88.199   23.260  133.039   65.441  211.364   28.199  248.688   66.244 -37.32402 71.99633 
1 1 1  -14   10   16 o  202.033   37.107   99.583   24.156  108.356   25.714   33.706   70.461  234.131   28.143  169.934   68.672 64.19617 74.21480 
1 1 1  -14   10   17 o  453.852   33.876  391.766   57.626  325.456   70.482  525.463  100.081  400.824   45.060  506.880   50.596 -106.0558 67.75237 
1 1 1  -14   10   18 o  241.838   40.623   93.422   24.663   85.610   25.845  173.017   82.495  207.184   31.966  276.492   74.692 -69.30803 81.24514 
1 1 1  -14   10   19 o  220.750   52.596   72.070   22.530   70.554   22.796  135.874  147.889  187.887   31.090  253.612  100.493 -65.72490 105.1923 
1 1 1  -14   10   20 o  102.633   35.587 -48.7661   32.220 -35.7657   34.465 -138.8952   90.748   84.434   39.876  120.833   58.954 -36.39943 71.17398 
1 1 1  -14   10   21 o  186.833   79.338 -55.3695   5.0718 -55.6211   5.0783   43.639  100.741  ?   ?   186.833   79.338      ?      ? 
1 1 1  -14   10   22 o  391.758   50.158  362.629   65.438  368.555   76.779  346.894  125.104  417.598   47.114  365.919   88.564 51.67914 100.3162 
1 1 1  -14   10   23 o  345.682   51.566  274.310   39.540  271.810   41.303  301.735  136.799  367.147   28.828  324.216   99.021 42.93042 103.1320 
1 1 1  -14   10   24 o  156.554   26.781   54.396   16.430   38.363   25.088   66.436   21.741  134.958   42.599  178.150   32.469 -43.19229 53.56259 
1 1 1  -14   10   25 o  328.471   22.416  219.844   28.681  213.144   39.184  227.576   42.095  323.388   31.049  333.555   32.339 -10.16629 44.83195 
1 1 1  -14   10   26 o  129.680   27.911   36.760   15.024   29.248   27.196   40.060   18.024  122.727   44.310  136.633   33.953 -13.90656 55.82285 
1 1 1  -14   10   27 o  158.405   48.055   26.976   23.914   23.342   24.408  113.930  119.393  112.344   41.741  204.466   86.572 -92.12179 96.10965 
1 1 1  -14   10   28 o  352.056   22.934  258.012   31.367  293.001   45.662  226.749   43.162  375.473   31.163  328.639   33.655 46.83386 45.86740 
1 1 1  -14   10   29 o  278.774   23.524  161.838   25.315  173.422   39.237  153.578   33.133  286.085   35.145  271.464   31.277 14.62045 47.04705 
1 1 1  -14   10   30 o  266.014   40.609  207.066   35.749  114.795   79.579  230.395   40.014  199.628   75.132  332.400   30.847 -132.7713 81.21839 
1 1 1  -14   10   31 o  269.738   27.057  156.661   28.171  168.005   43.655  148.566   36.877  276.394   40.474  263.082   35.920 13.31171 54.11417 
1 1 1  -14   11    1 o  435.496   50.534  409.204   58.861  415.177   64.075  376.917  148.974  458.097   35.843  412.895   94.499 45.20224 101.0683 
1 1 1  -14   11    2 o  273.662   77.364  160.271   86.294   0.0000   0.0000  160.271   86.294  ?   ?   273.662   77.364      ?      ? 
1 1 1  -14   11    3 o  319.473   46.847  190.471   46.961  175.736   52.110  254.182  108.356  296.819   44.988  342.127   82.187 -45.30777 93.69392 
1 1 1  -14   11    4 o  440.941   49.600  395.903   57.929  391.838   62.612  420.069  152.663  444.914   36.062  436.967   92.414 7.947449 99.20082 
1 1 1  -14   11    5 o  514.633   36.378  524.511   73.058  524.511   73.058   0.0000   0.0000  514.633   36.378  ?   ?       ?      ? 
1 1 1  -14   11    6 o  342.029   25.743  236.172   33.659  276.625   46.265  190.686   49.059  374.369   31.668  309.688   40.594 64.68103 51.48535 
1 1 1  -14   11    7 o  915.448   34.133  1649.07  120.756  1454.88  158.053  1921.38  187.165  852.274   47.522  978.623   49.009 -126.3494 68.26568 
1 1 1  -14   11    8 o  888.255   29.230  1513.60   92.687  1434.21  109.437  1715.04  174.324  851.829   32.922  924.681   48.310 -72.85272 58.46073 
1 1 1  -14   11    9 o  196.465   28.255   71.160   16.041   67.826   17.423   89.711   41.096  185.787   24.031  207.143   51.145 -21.35558 56.50914 
1 1 1  -14   11   10 o  176.374   31.322   53.175   16.112   48.780   17.303   81.823   44.179  154.730   29.737  198.018   55.137 -43.28848 62.64449 
1 1 1  -14   11   11 o  311.693   28.578  186.869   28.878  181.738   32.559  205.793   62.523  303.727   27.470  319.660   50.121 -15.93338 57.15544 
1 1 1  -14   11   12 o  594.419   25.907  679.409   54.083  652.000   63.293  753.569  104.110  575.031   28.206  613.807   43.464 -38.77563 51.81367 
1 1 1  -14   11   13 o  266.016   41.648  189.505   38.136  222.850   42.693   57.841   84.835  335.463   32.612  196.568   76.647 138.8950 83.29676 
1 1 1  -14   11   14 o  595.313   27.937  675.183   55.992  645.093   63.956  773.937  115.864  571.460   28.679  619.166   47.952 -47.70557 55.87404 
1 1 1  -14   11   15 o  421.547   28.765  326.022   37.310  308.566   41.085  408.128   89.106  395.342   26.631  447.753   50.996 -52.41104 57.53067 
1 1 1  -14   11   16 o  453.911   30.918  415.570   44.331  414.975   49.853  417.818   96.904  457.819   27.904  450.002   55.182 7.816895 61.83559 
1 1 1  -14   11   17 o  246.925   40.003  114.642   25.349  110.647   26.754  149.693   79.253  235.995   29.051  257.854   74.546 -21.85837 80.00647 
1 1 1  -14   11   18 o  429.413   62.705  433.844   50.232  433.903   51.780  432.911  206.961  466.918   28.418  391.909  122.147 75.00906 125.4092 
1 1 1  -14   11   19 o  265.862   60.522  132.836   49.250  121.841   51.848  234.387  157.572  234.892   57.115  296.832  106.722 -61.94026 121.0441 
1 1 1  -14   11   20 o  125.305   39.754   13.176   15.552   14.025   15.758 -18.6441   96.521   91.704   33.634  158.907   72.044 -67.20314 79.50836 
1 1 1  -14   11   21 o  617.511   66.949  866.333  161.331   0.0000   0.0000  866.333  161.331  ?   ?   617.511   66.949      ?      ? 
1 1 1  -14   11   22 o  335.012   48.480  211.194   34.806  201.204   36.145  338.638  129.100  315.775   29.332  354.249   92.416 -38.47406 96.95950 
1 1 1  -14   11   23 o  308.548   48.510  136.207   29.752  123.597   30.540  371.237  131.845  246.566   31.740  370.529   91.682 -123.9632 97.02062 
1 1 1  -14   11   24 o  251.961   52.221  116.784   30.258  111.308   31.043  220.849  135.334  232.837   34.165  271.085   98.695 -38.24747 104.4416 
1 1 1  -14   11   25 o  668.947   79.027  1146.40  206.301   0.0000   0.0000  1146.40  206.301  ?   ?   668.947   79.027      ?      ? 
1 1 1  -14   11   26 o  316.919   55.872  300.791   45.400  304.123   46.783  246.904  188.133  384.068   31.214  249.770  107.295 134.2983 111.7434 
1 1 1  -14   11   27 o  216.359   47.288  114.351   32.082  114.623   33.142  110.298  127.896  232.479   36.531  200.240   87.236 32.23906 94.57589 
1 1 1  -14   11   28 o  163.726   39.915   67.871   29.219   77.096   30.835 -13.2715   91.450  183.952   43.617  143.501   66.862 40.45122 79.83091 
1 1 1  -14   11   29 o  398.390   74.937  433.986  112.227   0.0000   0.0000  433.986  112.227  ?   ?   398.390   74.937      ?      ? 
1 1 1  -14   11   30 o  152.054   53.711 -44.6767   69.254 -54.1784   72.815   45.408  224.204  116.542   55.854  187.566   91.760 -71.02358 107.4219 
1 1 1  -14   12    1 o  345.348   48.717  242.899   54.367  237.223   61.599  262.904  115.644  344.525   45.816  346.172   85.991 -1.646912 97.43468 
1 1 1  -14   12    2 f  459.882   53.308  422.029   65.201  412.280   70.334  481.607  173.875  455.548   39.564  464.215   99.002 -8.666656 106.6150 
1 1 1  -14   12    3 o  711.560   41.502  1007.83  115.242  1007.83  115.242   0.0000   0.0000  711.560   41.502  ?   ?       ?      ? 
1 1 1  -14   12    4 o  359.841   45.688  299.019   50.366  323.157   57.401  218.247  105.002  403.812   36.425  315.870   83.803 87.94217 91.37663 
1 1 1  -14   12    5 o  584.945   59.342  692.710   83.976  680.961   89.330  782.013  246.279  585.430   39.101  584.460  112.057 0.9696655 118.6830 
1 1 1  -14   12    6 o  525.628   56.792  614.187   76.623  625.690   83.027  548.126  198.971  561.406   37.897  489.851  107.074 71.55505 113.5832 
1 1 1  -14   12    7 o  431.475   50.934  478.568   63.384  545.635   72.313  256.201  131.674  524.795   35.310  338.156   95.553 186.6387 101.8687 
1 1 1  -14   12    8 o  532.162   29.324  570.455   60.212  636.728   82.864  496.315   87.644  566.284   37.497  498.040   45.095 68.24335 58.64770 
1 1 1  -14   12    9 o  1009.79   31.651  1974.63  114.554  1879.41  135.811  2209.41  213.262  973.528   35.748  1046.06   52.243 -72.52728 63.30283 
1 1 1  -14   12   10 o  884.483   29.786  1455.38   91.135  1343.28  104.949  1799.13  183.778  823.986   32.638  944.979   49.835 -120.9932 59.57203 
1 1 1  -14   12   11 o  219.841   40.189  105.808   23.616  108.811   24.713   74.215   80.160  234.986   26.949  204.695   75.725 30.29077 80.37756 
1 1 1  -14   12   12 o  513.367   36.694  524.220   73.512  524.220   73.512   0.0000   0.0000  513.367   36.694  ?   ?       ?      ? 
1 1 1  -14   12   13 o  296.321   29.283  127.739   23.840  111.884   25.275  255.549   71.760  238.092   27.203  354.550   51.865 -116.4575 58.56616 
1 1 1  -14   12   14 o  173.487   33.533   77.699   21.763   89.574   22.868 -36.3744   70.874  212.879   27.527  134.094   61.156 78.78519 67.06611 
1 1 1  -14   12   15 o  217.889   40.061  113.233   26.533  120.214   28.084   55.216   80.965  246.189   29.232  189.588   74.599 56.60112 80.12199 
1 1 1  -14   12   16 o  504.525   32.856  538.308   51.136  551.568   57.498  488.143  111.835  527.188   27.948  481.861   59.473 45.32684 65.71291 
1 1 1  -14   12   17 o  246.742   55.674  133.914   49.673  136.048   53.413  120.258  135.124  250.100   56.108  243.384   96.179 6.716217 111.3485 
1 1 1  -14   12   18 f  259.840   56.491  158.240   51.502  162.408   54.897  127.650  148.740  273.830   53.291  245.850   99.625 27.98051 112.9827 
1 1 1  -14   12   19 o  275.160   45.659  142.629   29.063  136.986   30.246  210.515  104.907  261.249   29.668  289.071   86.365 -27.82205 91.31847 
1 1 1  -14   12   20 o  706.317   61.177  1105.72  168.623   0.0000   0.0000  1105.72  168.623  ?   ?   706.317   61.177      ?      ? 
1 1 1  -14   12   21 o  134.414   42.045   18.361   16.784   19.015   16.985  -8.7928  109.497  100.804   35.149  168.024   76.392 -67.22069 84.09045 
1 1 1  -14   12   22 o  307.417   55.923  230.449   61.460  220.282   71.062  260.634  122.437  309.602   60.986  305.233   93.756 4.369659 111.8458 
1 1 1  -14   12   23 o  210.484   47.740   90.537   28.959   88.954   29.967  112.879  112.585  203.945   39.075  217.023   87.119 -13.07880 95.48090 
1 1 1  -14   12   24 o  280.859   50.690  151.391   32.610  143.165   33.746  267.454  126.755  264.087   32.745  297.630   95.947 -33.54315 101.3803 
1 1 1  -14   12   25 o  192.968   45.541   95.959   32.472  103.069   33.123 -79.4446  164.520  217.399   40.534  168.536   81.566 48.86281 91.08268 
1 1 1  -14   12   26 o  455.187   47.147  486.765   53.923  477.553   58.120  543.730  144.527  480.321   31.007  430.053   89.050 50.26810 94.29382 
1 1 1  -14   12   27 o  247.432   43.109  191.547   38.786  209.320   41.456   66.729  109.861  315.573   33.663  179.290   79.375 136.2827 86.21801 
1 1 1  -14   12   28 o  195.173   39.433  105.995   31.745  118.151   34.114   27.479   86.701  234.969   37.204  155.378   69.540 79.59032 78.86631 
1 1 1  -14   12   29 o  184.640   49.573   78.705   33.224   79.197   33.947   67.530  161.837  183.787   47.112  185.494   87.238 -1.706619 99.14662 
1 1 1  -14   12   30 o  274.732   54.159  230.268   69.938  367.054  101.285  105.611   96.690  360.954   74.379  188.510   78.743 172.4443 108.3178 
1 1 1  -14   13    1 o  402.552   53.194  328.582   69.492  315.405   79.073  373.286  145.645  395.766   51.199  409.339   93.257 -13.57281 106.3874 
1 1 1  -14   13    2 o  400.870   46.549  406.177   59.325  508.879   72.071  190.367  104.474  506.578   36.457  295.162   85.664 211.4159 93.09882 
1 1 1  -14   13    3 o  203.849   41.703   88.312   35.045   99.307   44.255   69.823   57.389  217.714   52.663  189.984   64.677 27.73026 83.40552 
1 1 1  -14   13    4 o  326.644   45.245  259.258   49.649  304.383   58.718  146.083   92.991  391.387   38.445  261.901   81.917 129.4857 90.49010 
1 1 1  -14   13    5 o  278.823   48.806  147.247   45.296  131.921   50.895  205.628   99.338  251.104   53.572  306.542   81.599 -55.43738 97.61288 
1 1 1  -14   13    6 o  742.286   43.222  1100.58  125.200  1100.58  125.200   0.0000   0.0000  742.286   43.222  ?   ?       ?      ? 
1 1 1  -14   13    7 o  684.659   66.821  1012.21  110.396  1008.60  117.936  1037.81  313.800  710.727   42.522  658.591  126.697 52.13556 133.6423 
1 1 1  -14   13    8 o  282.148   44.421  187.713   44.308  214.238   51.733  114.689   85.836  327.837   40.437  236.459   79.105 91.37860 88.84105 
1 1 1  -14   13    9 o  333.039   48.672  263.142   51.205  285.541   57.802  181.464  110.376  378.610   39.122  287.468   89.138 91.14227 97.34483 
1 1 1  -14   13   10 o  244.919   50.358  108.059   44.951   86.718   51.163  180.276   94.118  203.556   60.198  286.281   80.747 -82.72490 100.7166 
1 1 1  -14   13   11 o  649.652   49.062  853.549  124.381   0.0000   0.0000  853.549  124.381  ?   ?   649.652   49.062      ?      ? 
1 1 1  -14   13   12 o  563.480   30.214  624.826   55.334  614.214   62.635  662.554  118.098  557.280   28.801  569.680   53.123 -12.39984 60.42770 
1 1 1  -14   13   13 o  210.238   38.201  115.142   25.517  125.971   26.868   15.518   81.494  252.393   27.279  168.083   71.365 84.31015 76.40131 
1 1 1  -14   13   14 o  454.456   38.102  388.109   63.454  321.602   75.519  547.809  117.025  396.529   48.804  512.382   58.527 -115.8530 76.20480 
1 1 1  -14   13   15 o  401.839   35.948  316.320   39.352  309.535   42.383  358.725  105.962  394.914   27.502  408.764   66.427 -13.85040 71.89504 
1 1 1  -14   13   16 o  307.194   55.610  240.018   61.792  260.554   68.748  153.674  140.969  354.354   49.716  260.034   99.489 94.31961 111.2196 
1 1 1  -14   13   17 o  179.377   41.277   66.855   22.500   69.504   23.195   24.633   92.600  183.098   33.704  175.655   75.361 7.442612 82.55480 
1 1 1  -14   13   18 o  209.592   46.466   65.654   22.505   61.159   23.086  151.602  100.956  170.564   35.824  248.621   85.749 -78.05698 92.93103 
1 1 1  -14   13   19 o  180.738   47.405   26.435   16.427   23.071   16.625  165.572  106.919  107.460   34.758  254.016   88.208 -146.5561 94.80951 
1 1 1  -14   13   20 o  118.607   38.788   12.005   15.119   13.915   15.255 -93.7389  113.514   90.513   33.108  146.701   70.156 -56.18738 77.57612 
1 1 1  -14   13   21 o  203.811   44.686   96.052   27.659   99.721   28.393   27.766  122.489  221.204   32.891  186.419   83.099 34.78506 89.37136 
1 1 1  -14   13   22 o  294.616   48.612  241.028   39.891  251.734   42.185  150.559  122.631  352.029   30.708  237.202   92.247 114.8271 97.22360 
1 1 1  -14   13   23 o  249.240   58.042  174.562   67.671  197.738   81.405  122.723  121.747  278.904   73.689  219.577   89.697 59.32730 116.0840 
1 1 1  -14   13   24 o  207.748   50.128   95.523   31.330   95.564   32.061   94.638  147.595  209.284   40.722  206.212   91.613 3.072189 100.2555 
1 1 1  -14   13   25 o  182.241   43.164   80.743   27.252   84.580   27.968   8.6113  121.259  197.125   37.731  167.357   77.645 29.76729 86.32710 
1 1 1  -14   13   26 o  189.028   50.334   69.024   27.160   66.986   27.620  128.742  149.506  172.511   41.527  205.546   91.703 -33.03471 100.6671 
1 1 1  -14   13   27 o  261.378   49.515  212.697   40.106  217.919   41.144  113.083  179.709  322.413   32.701  200.344   93.475 122.0691 99.03008 
1 1 1  -14   13   28 o  171.005   47.853   62.369   29.551   64.045   30.015   9.3768  168.754  166.345   45.103  175.664   84.411 -9.319382 95.70531 
1 1 1  -14   13   29 o  167.112   55.159   36.048   80.066   41.646   90.410   15.695  172.382  159.886   71.323  174.337   84.160 -14.45120 110.3175 
1 1 1  -14   14    1 o  523.959   58.042  503.075   90.005  456.385   98.438  741.109  222.263  475.120   53.092  572.798  103.231 -97.67822 116.0836 
1 1 1  -14   14    2 o  345.151   48.840  234.040   56.220  217.574   64.269  287.707  116.029  328.658   50.110  361.645   83.847 -32.98767 97.67986 
1 1 1  -14   14    3 o  570.609   82.309  761.043  177.055  667.481  244.901  863.494  256.272  528.926  121.241  612.291  111.355 -83.36523 164.6189 
1 1 1  -14   14    4 o  446.742   52.625  418.090   67.993  415.194   75.095  431.267  160.174  456.000   42.200  437.484   96.419 18.51517 105.2494 
1 1 1  -14   14    5 o  177.157   47.539   47.424   43.065   61.420   75.234   40.604   52.520  193.138   72.971  161.176   60.951 31.96202 95.07738 
1 1 1  -14   14    6 o  466.280   55.256  459.806   71.513  457.204   78.187  473.124  176.893  478.390   41.881  454.170  102.268 24.21970 110.5117 
1 1 1  -14   14    7 o  647.315   66.605  960.791  107.960  977.034  116.708  864.457  284.215  698.711   42.803  595.920  126.147 102.7906 133.2106 
1 1 1  -14   14    8 o  270.660   56.443  154.522   57.686  154.522   57.686   0.0000   0.0000  270.660   56.443  ?   ?       ?      ? 
1 1 1  -14   14    9 o  353.699   72.989  293.608  106.007  285.553  168.072  298.929  136.605  347.085  110.336  360.314   95.582 -13.22858 145.9788 
1 1 1  -14   14   10 o  457.068   45.066  421.179   80.382  421.179   80.382   0.0000   0.0000  457.068   45.066  ?   ?       ?      ? 
1 1 1  -14   14   11 o  383.258   56.044  343.194   66.966  357.822   75.118  286.556  147.808  420.473   45.779  346.043  102.313 74.43011 112.0882 
1 1 1  -14   14   12 o  538.519   28.682  574.940   60.276  574.940   60.276   0.0000   0.0000  538.519   28.682  ?   ?       ?      ? 
1 1 1  -14   14   14 o  176.624   41.227   56.850   19.827   57.282   20.374   49.112   86.188  166.549   32.514  186.699   75.773 -20.14999 82.45450 
1 1 1  -14   14   15 o  208.653   56.090   65.407   52.330   45.638   58.323  147.051  118.525  165.248   63.796  252.058   92.272 -86.80951 112.1791 
1 1 1  -14   14   16 o  356.053   40.751  229.663   35.398  216.465   37.394  343.496  109.818  328.877   29.137  383.230   76.115 -54.35303 81.50107 
1 1 1  -14   14   17 o  209.363   46.315   56.952   19.648   52.630   20.020  170.092  102.425  158.523   33.416  260.204   86.392 -101.6802 92.62969 
1 1 1  -14   14   18 o  209.826   45.882   84.102   23.622   83.271   24.181  101.493  110.581  203.122   30.505  216.529   86.545 -13.40704 91.76399 
1 1 1  -14   14   19 o  545.974   40.630  590.725   79.909  493.343   93.721  850.004  152.926  479.629   50.073  612.319   63.999 -132.6904 81.25973 
1 1 1  -14   14   20 o  206.365   46.995   73.673   24.080   70.402   24.722  134.163  106.319  182.361   36.018  230.368   86.815 -48.00653 93.98998 
1 1 1  -14   14   21 o  205.649   38.849  119.858   31.564  136.985   33.358 -26.6151   97.554  258.885   33.019  152.413   70.333 106.4722 77.69833 
1 1 1  -14   14   22 o  299.799   41.798  110.639   28.817   90.207   29.863  387.188  109.864  205.070   38.736  394.527   74.079 -189.4568 83.59517 
1 1 1  -14   14   23 o  404.081   47.939  321.043   50.860  292.122   54.322  526.519  144.792  373.264   37.293  434.898   88.329 -61.63394 95.87901 
1 1 1  -14   14   24 o  240.942   42.917  181.288   36.514  196.304   38.273   29.099  121.845  307.787   31.865  174.098   79.700 133.6888 85.83400 
1 1 1  -14   14   25 o  283.536   44.470  206.747   37.248  209.612   40.585  191.447   93.800  316.574   32.852  250.499   82.651 66.07541 88.94091 
1 1 1  -14   14   26 o  183.443   43.492   75.322   26.893   74.071   28.138   88.529   91.426  181.770   40.683  185.115   76.883 -3.345078 86.98331 
1 1 1  -14   14   27 o  184.746   56.464   40.090   25.370   35.381   25.627  270.876  179.403  127.686   43.221  241.806  104.331 -114.1209 112.9288 
1 1 1  -14   14   28 o  364.219   56.866  515.985   64.405  528.557   66.537  329.170  256.496  499.032   34.167  229.406  108.479 269.6263 113.7323 
1 1 1  -14   15    1 o  309.871   57.230  211.783   69.773  212.799   94.318  210.555  103.696  311.545   77.810  308.198   83.946 3.347046 114.4604 
1 1 1  -14   15    2 o  451.423   51.975  443.674   74.886  454.177   86.298  411.654  150.681  475.267   46.530  427.580   92.956 47.68680 103.9509 
1 1 1  -14   15    3 o  264.877   57.705  150.999   65.317  165.881   97.430  138.850   88.028  275.362   83.448  254.392   79.723 20.97005 115.4096 
1 1 1  -14   15    4 f  423.799   52.696  360.561   69.807  343.100   78.308  428.141  154.055  412.306   48.669  435.292   93.481 -22.98669 105.3921 
1 1 1  -14   15    5 o  109.496   49.141 -17.6455   43.614 -17.6455   43.614   0.0000   0.0000  109.496   49.141  ?   ?       ?      ? 
1 1 1  -14   15    6 o  218.547   64.474  101.331   58.753  101.331   58.753   0.0000   0.0000  218.547   64.474  ?   ?       ?      ? 
1 1 1  -14   15    7 o  436.862  104.268  450.844  175.289   0.0000   0.0000  450.844  175.289  ?   ?   436.862  104.268      ?      ? 
1 1 1  -14   15    8 o  476.386   82.676  566.978  153.909  477.635  221.580  650.266  213.941  431.383  124.627  521.389  108.671 -90.00562 165.3521 
1 1 1  -14   15    9 o  500.365   46.759  508.003   91.303  508.003   91.303   0.0000   0.0000  500.365   46.759  ?   ?       ?      ? 
1 1 1  -14   15   10 o  241.087   50.440  134.011   53.879  171.393   67.004   65.615   90.633  280.874   62.716  201.300   79.017 79.57376 100.8809 
1 1 1  -14   15   11 o  277.230   50.177  187.651   57.005  227.762   68.022   93.025  104.477  331.989   52.504  222.472   85.523 109.5171 100.3539 
1 1 1  -14   15   12 o  407.665  139.145  509.456  265.635  509.456  265.635   0.0000   0.0000  407.665  139.145  ?   ?       ?      ? 
1 1 1  -14   15   13 o  182.800   50.269   57.352   52.199   80.184   62.693   5.7509   94.248  195.608   67.566  169.992   74.449 25.61514 100.5379 
1 1 1  -14   15   14 o  322.221   50.352  177.432   30.392  170.144   31.164  319.153  137.424  292.173   27.332  352.270   96.924 -60.09723 100.7044 
1 1 1  -14   15   15 o  151.199   42.749   33.609   16.701   34.625   16.880 -13.4787  114.886  128.575   33.356  173.823   78.722 -45.24792 85.49725 
1 1 1  -14   15   16 o  424.913   68.002  498.355   88.902  510.420   97.297  437.355  218.779  489.709   50.913  360.116  126.115 129.5925 136.0038 
1 1 1  -14   15   17 o  316.454   49.082  198.350   33.795  191.488   35.094  285.905  125.357  308.348   29.165  324.559   93.732 -16.21051 98.16446 
1 1 1  -14   15   19 o  220.530   42.665  127.287   30.751  135.493   32.202   42.340  103.609  258.094   31.972  182.967   79.114 75.12695 85.33018 
1 1 1  -14   15   20 o  268.277   42.157  178.719   33.608  186.001   36.647  140.197   84.285  302.403   31.054  234.151   78.387 68.25179 84.31411 
1 1 1  -14   15   21 o  239.215   78.282  150.436   84.210   0.0000   0.0000  150.436   84.210  ?   ?   239.215   78.282      ?      ? 
1 1 1  -14   15   22 o  203.271   46.645   78.488   28.100   72.697   29.371  141.092   96.568  181.321   42.286  225.220   83.155 -43.89926 93.28934 
1 1 1  -14   15   23 o  105.542   34.037   8.3917   17.941   13.519   18.303 -117.0809   90.548   92.921   35.777  118.162   57.914 -25.24140 68.07324 
1 1 1  -14   15   24 o  102.978   36.749 -13.9856   14.138 -14.6177   14.319   10.477   89.081   54.677   25.786  151.279   68.827 -96.60203 73.49880 
1 1 1  -14   15   25 o  285.588   45.765  242.869   40.324  257.347   43.576  156.590  106.376  351.091   31.805  220.085   85.825 131.0062 91.52909 
1 1 1  -14   15   26 o  120.544   41.765   30.576   23.963   30.576   23.963   0.0000   0.0000  120.544   41.765  ?   ?       ?      ? 
1 1 1  -14   15   27 o  189.478   59.340   99.751   83.165  114.898   90.783   20.693  207.408  196.491   78.458  182.464   89.047 14.02708 118.6801 
1 1 1  -14   15   28 o  248.879   56.992  122.507   75.386 -28.3480   90.979  452.985  134.658  135.043   64.076  362.715   94.269 -227.6721 113.9841 
1 1 1  -14   16    1 o  321.321   66.817  223.446   95.334  115.262  128.014  358.155  142.848  248.305   94.854  394.336   94.132 -146.0310 133.6341 
1 1 1  -14   16    2 f  139.107   59.007   6.9556   55.629   6.9556   55.629   0.0000   0.0000  139.107   59.007  ?   ?       ?      ? 
1 1 1  -14   16    3 o  573.658   52.684  671.911  117.941  671.911  117.941   0.0000   0.0000  573.658   52.684  ?   ?       ?      ? 
1 1 1  -14   16    4 o  390.030   52.514  374.099   71.365  456.110   87.860  215.064  122.350  474.397   47.459  305.663   93.695 168.7347 105.0288 
1 1 1  -14   16    5 o  205.925   51.201   84.069   50.765   85.340   67.296   82.392   77.330  205.084   70.036  206.766   74.708 -1.682220 102.4026 
1 1 1  -14   16    6 o  280.327   65.737  175.428   81.753  191.446  135.225  166.201  102.634  289.024   99.266  271.631   86.207 17.39252 131.4739 
1 1 1  -14   16    7 o  934.982  103.429  1956.64  187.644  1882.10  194.913  2900.39  693.561  956.883   52.198  913.081  200.165 43.80151 206.8586 
1 1 1  -14   16    8 o  310.109   51.865  230.270   63.082  277.155   78.366  143.968  106.321  365.548   54.936  254.671   87.988 110.8770 103.7296 
1 1 1  -14   16    9 f  229.815   54.621  112.519   56.114  104.801   69.926  126.479   94.043  219.709   71.308  239.921   82.760 -20.21138 109.2426 
1 1 1  -14   16   10 o  565.122   46.540  655.629  102.636  655.629  102.636   0.0000   0.0000  565.122   46.540  ?   ?       ?      ? 
1 1 1  -14   16   11 o  175.417   49.830   41.264   53.633   71.082   73.581   7.4610   78.341  192.659   72.297  158.176   68.594 34.48235 99.65908 
1 1 1  -14   16   12 o  258.839   59.600  159.423   66.770  161.341   80.584  155.221  119.259  262.516   74.952  255.161   92.687 7.355209 119.1997 
1 1 1  -14   16   13 o  281.809   56.931  211.161   68.683  248.166   80.399  111.226  132.124  331.887   64.400  231.732   93.899 100.1546 113.8610 
1 1 1  -14   16   14 o  176.179   46.247   45.920   18.301   45.364   18.526   68.321  117.607  147.030   33.088  205.328   86.373 -58.29761 92.49419 
1 1 1  -14   16   15 o  207.451   44.674  104.579   27.046  109.615   27.563 -26.0519  140.379  233.127   30.297  181.774   84.054 51.35240 89.34703 
1 1 1  -14   16   16 o  212.671   52.721   69.395   22.236   67.452   22.482  156.729  150.748  179.544   33.313  245.798  100.040 -66.25345 105.4411 
1 1 1  -14   16   17 o  296.965   70.723  210.505   75.663  186.845   81.424  360.186  204.797  274.870   74.186  319.060  120.430 -44.19037 141.4462 
1 1 1  -14   16   18 o  266.559   57.414  156.309   31.813  155.378   32.206  193.709  204.223  277.052   29.788  256.066  110.897 20.98569 114.8277 
1 1 1  -14   16   19 o  197.455   63.657   34.583   67.488   21.507   71.024  156.173  216.577  152.855   65.799  242.056  108.993 -89.20093 127.3144 
1 1 1  -14   16   20 o  232.184  109.046  126.223  251.382   0.0000   0.0000  126.223  251.382  ?   ?   232.184  109.046      ?      ? 
1 1 1  -14   16   21 o  384.420   46.300  331.980   45.511  322.819   48.906  391.174  124.314  395.986   31.648  372.854   87.024 23.13226 92.59967 
1 1 1  -14   16   22 o  162.401   46.385   3.1595   15.668  -1.3406   15.844  201.576  105.208   70.402   30.687  254.400   87.547 -183.9978 92.76965 
1 1 1  -14   16   23 o  201.636   48.076   72.004   24.922   66.582   25.584  172.719  110.269  173.385   38.783  229.888   87.983 -56.50243 96.15166 
1 1 1  -14   16   24 o  197.703   46.819   84.020   26.553   81.897   27.257  123.548  117.614  193.159   37.512  202.247   85.795 -9.088593 93.63731 
1 1 1  -14   16   25 o  246.725   57.068  155.242   36.552  153.086   36.851  286.706  287.754  268.613   35.155  224.837  108.586 43.77626 114.1350 
1 1 1  -14   16   26 o  175.021   55.342   65.265   75.690   83.564   86.846   7.4438  154.373  179.585   74.788  170.457   81.596 9.127640 110.6849 
1 1 1  -14   16   27 o  434.033   33.810  401.052   57.266  401.052   57.266   0.0000   0.0000  434.033   33.810  ?   ?       ?      ? 
1 1 1  -14   17    1 o  301.077   60.855  210.122   75.060  214.199  103.258  205.554  109.301  304.799   84.079  297.355   87.999 7.443604 121.7095 
1 1 1  -14   17    2 f  398.243   61.445  366.804   90.282  368.876  113.664  363.263  148.602  408.161   74.089  388.326   98.045 19.83533 122.8901 
1 1 1  -14   17    3 o  274.578   63.635  172.336   77.561  177.644  123.793  168.906   99.515  277.507   94.988  271.650   84.705 5.857086 127.2701 
1 1 1  -14   17    5 o  171.257   48.733   37.372   49.576   53.706   75.904   25.220   65.470  184.116   72.299  158.399   65.363 25.71640 97.46515 
1 1 1  -14   17    6 f  272.784   52.421  173.542   61.886  242.929   83.454   88.765   92.245  331.622   66.797  213.947   80.808 117.6749 104.8415 
1 1 1  -14   17    7 o  251.651   54.084  144.290   60.948  195.444   83.864   87.028   88.729  292.590   73.534  210.711   79.328 81.87914 108.1678 
1 1 1  -14   17    8 o  437.172   58.506  475.651   87.213  527.189  104.861  360.008  157.077  501.612   53.569  372.733  104.029 128.8797 117.0112 
1 1 1  -14   17    9 o  383.439   63.929  361.315   89.699  362.946  108.613  357.815  159.078  399.725   72.289  367.154  105.460 32.57162 127.8576 
1 1 1  -14   17   10 o  195.430   53.479   63.309   60.955  115.301   86.814   12.755   85.605  225.810   79.423  165.050   71.639 60.75963 106.9588 
1 1 1  -14   17   11 o  303.478   61.110  236.452   74.305  249.931   88.821  205.025  135.627  327.772   71.456  279.183   99.156 48.58850 122.2207 
1 1 1  -14   17   12 o  454.506   67.271  582.597  101.649  629.660  116.818  435.854  206.276  540.477   55.386  368.536  122.613 171.9413 134.5424 
1 1 1  -14   17   13 o  380.283   63.087  395.674   89.913  432.262  107.221  308.982  165.044  440.501   62.374  320.066  109.678 120.4351 126.1731 
1 1 1  -14   17   14 o  331.941   64.131  306.264   82.218  320.164   94.837  264.211  164.961  370.092   68.178  293.790  108.641 76.30179 128.2618 
1 1 1  -14   17   15 o  253.798   59.204  179.100   74.863  221.504   87.575   64.018  144.273  299.598   75.061  207.997   91.577 91.60121 118.4078 
1 1 1  -14   17   16 o  290.321   56.066  258.062   80.365  321.786   90.075   9.3989  177.935  377.954   61.071  202.688   94.043 175.2661 112.1330 
1 1 1  -14   17   17 o  220.943   54.711   88.119   24.881   87.523   25.081  125.190  197.767  207.522   30.970  234.363  104.948 -26.84111 109.4223 
1 1 1  -14   17   18 o  224.016   54.323  106.041   29.074  106.895   29.307   53.137  230.677  228.411   32.880  219.620  103.551 8.791061 108.6462 
1 1 1  -14   17   19 o  169.383   38.330   62.206   24.745   62.206   24.745   0.0000   0.0000  169.383   38.330  ?   ?       ?      ? 
1 1 1  -14   17   20 o  317.721   31.430  208.064   38.970  208.064   38.970   0.0000   0.0000  317.721   31.430  ?   ?       ?      ? 
1 1 1  -14   17   21 o  207.847   64.978  100.257   73.145   89.659   76.464  214.453  250.998  187.949   72.911  227.745  107.576 -39.79688 129.9562 
1 1 1  -14   17   22 o  168.614   51.530   45.338   22.478   45.514   22.572   24.266  246.924  142.982   39.257  194.247   95.291 -51.26479 103.0606 
1 1 1  -14   17   23 o  177.952   51.870   57.874   23.804   58.212   23.890   11.554  279.836  161.780   38.414  194.123   96.366 -32.34294 103.7407 
1 1 1  -14   17   24 o  252.156   59.861  149.756   34.280  146.263   34.504  415.724  301.114  263.474   33.558  240.839  114.922 22.63568 119.7211 
1 1 1  -14   17   25 o  184.392   58.585   81.340   71.277   84.799   74.779   46.976  235.694  179.394   71.340  189.390   92.947 -9.996094 117.1691 
1 1 1  -14   17   26 o  397.923   57.683  119.710   32.645   97.497   32.958  1275.08  237.692  206.675   42.288  589.171  107.336 -382.4958 115.3657 
1 1 1  -14   18    1 o  161.071   46.898   9.5979   41.081   81.942   87.232 -11.0190   46.568  206.349   78.426  115.794   51.450 90.55542 93.79662 
1 1 1  -14   18    2 o  181.765   51.604   44.034   52.254   76.085   94.212   29.793   62.799  205.558   80.601  157.972   64.463 47.58603 103.2087 
1 1 1  -14   18    3 o  444.725   65.626  474.957  107.214  469.460  132.747  485.271  181.825  458.990   74.112  430.461  108.326 28.52853 131.2520 
1 1 1  -14   18    4 o  636.899  175.142  1501.81  448.866  1501.81  448.866   0.0000   0.0000  636.899  175.142  ?   ?       ?      ? 
1 1 1  -14   18    5 o  438.548   60.821  468.110   96.589  498.958  120.497  412.659  161.555  479.061   64.454  398.034  103.161 81.02704 121.6410 
1 1 1  -14   18    6 o  268.372   62.675  154.270   75.448  265.282  128.573   95.968   93.177  321.826   95.489  214.918   81.206 106.9081 125.3494 
1 1 1  -14   18    7 o  137.341   45.383 -51.3861   58.678 -148.2288  111.896 -14.6538   68.913  136.743   66.434  137.939   61.847 -1.196030 90.76656 
1 1 1  -14   18    8 o  584.093   58.326  737.395  132.946  737.395  132.946   0.0000   0.0000  584.093   58.326  ?   ?       ?      ? 
1 1 1  -14   18    9 o  127.862   42.655 -59.0499   51.438 -37.5522   89.001 -69.8324   63.032  146.013   67.310  109.711   52.414 36.30254 85.31035 
1 1 1  -14   18   10 o  284.841   57.147  212.318   74.559  295.884   97.741   96.015  115.308  353.329   73.290  216.353   87.701 136.9756 114.2934 
1 1 1  -14   18   11 o  394.752   60.957  448.413   91.513  539.883  111.122  255.623  161.326  496.592   57.341  292.911  107.587 203.6813 121.9139 
1 1 1  -14   18   12 o  268.499   67.445  183.717   83.983  148.997  101.653  258.374  149.060  241.735   85.844  295.263  104.048 -53.52847 134.8899 
1 1 1  -14   18   13 o  321.979   57.225  297.849   87.271  416.991  109.461   89.978  144.585  426.733   65.731  217.226   93.693 209.5065 114.4507 
1 1 1  -14   18   14 o  259.360   62.538  189.304   81.708  231.866   99.262   99.851  143.902  299.053   82.412  219.667   94.086 79.38663 125.0761 
1 1 1  -14   18   15 o  315.838   66.086  301.470   88.290  323.334  100.628  228.352  184.019  363.935   73.387  267.742  109.927 96.19266 132.1727 
1 1 1  -14   18   16 o  356.130   66.189  418.878   99.239  458.288  110.254  250.682  227.772  445.870   63.366  266.391  116.226 179.4787 132.3771 
1 1 1  -14   18   18 o  218.963   33.144   99.056   28.321   99.056   28.321   0.0000   0.0000  218.963   33.144  ?   ?       ?      ? 
1 1 1  -14   18   19 o  156.844   49.378   33.963   18.889   34.623   18.954 -61.7777  228.317  126.486   36.424  187.201   91.794 -60.71518 98.75610 
1 1 1  -14   18   20 o  264.982   55.106  195.998   38.572  195.871   39.094  200.682  236.746  306.420   32.694  223.544  105.250 82.87584 110.2111 
1 1 1  -14   18   21 o  163.515   49.583   42.994   21.461   43.355   21.564   5.4672  219.640  139.766   38.369  187.264   91.443 -47.49805 99.16666 
1 1 1  -14   18   22 o  251.772   50.077  197.147   37.765  200.996   38.195   29.315  252.197  310.392   31.533  193.152   95.061 117.2394 100.1549 
1 1 1  -14   18   23 f  208.839   54.078   95.503   29.381   94.326   29.597  175.102  243.441  207.065   38.030  210.613  101.250 -3.547760 108.1568 
1 1 1  -14   18   24 f  179.530   58.809   59.289   72.599   50.730   77.176  125.100  214.009  160.216   68.770  198.844   95.418 -38.62758 117.6180 
1 1 1  -14   18   25 o  241.375   51.065  171.338   37.110  171.632   37.605  160.405  229.428  283.738   33.963  199.013   96.317 84.72473 102.1297 
1 1 1  -14   19    1 o  375.746   79.313  404.759  125.083  397.418  188.279  410.559  167.352  366.038  116.824  385.454  107.306 -19.41595 158.6270 
1 1 1  -14   19    2 o  383.935  106.984  407.888  166.268   0.0000   0.0000  407.888  166.268  ?   ?   383.935  106.984      ?      ? 
1 1 1  -14   19    3 o  253.317   69.212  144.714   86.461  192.492  179.726  130.328   98.623  271.464  109.684  235.170   84.444 36.29385 138.4245 
1 1 1  -14   19    5 o  555.356   69.495  700.058  150.611  700.058  150.611   0.0000   0.0000  555.356   69.495  ?   ?       ?      ? 
1 1 1  -14   19    6 o  274.365   64.940  197.525   82.130  212.990  114.309  181.023  118.082  285.002   91.035  263.727   92.635 21.27490 129.8794 
1 1 1  -14   19    7 o  258.319   65.076  165.786   83.505  114.947  110.471  233.561  127.549  224.362   87.470  292.275   96.378 -67.91283 130.1527 
1 1 1  -14   19    8 o  198.033   57.373   71.269   70.797   88.078  102.299   55.818   98.078  207.047   83.069  189.018   79.161 18.02924 114.7469 
1 1 1  -14   19    9 o  490.106   70.406  713.401  118.583  792.189  140.170  515.052  222.403  596.874   60.178  383.338  127.306 213.5361 140.8127 
1 1 1  -14   19   10 o  254.549   59.670  164.038   78.236  257.003  106.687   55.886  115.072  314.272   84.959  194.825   83.809 119.4465 119.3403 
1 1 1  -14   19   11 o  235.325   59.069  138.459   73.782  199.376   98.563   60.815  111.277  275.871   84.006  194.779   83.063 81.09224 118.1373 
1 1 1  -14   19   12 o  400.434   65.491  471.137   97.574  517.087  114.869  352.066  184.911  478.519   61.514  322.348  115.640 156.1720 130.9830 
1 1 1  -14   19   13 o  284.404   49.902  204.881   80.405  385.338  103.472 -70.1657  127.744  408.944   64.838  159.864   75.875 249.0802 99.80450 
1 1 1  -14   19   14 o  244.329   64.752  169.113   84.134  188.275   97.914  115.042  164.477  264.060   84.244  224.598   98.357 39.46234 129.5038 
1 1 1  -14   19   15 o  164.089   73.919   8.6441   99.746   8.6441   99.746   0.0000   0.0000  164.089   73.919  ?   ?       ?      ? 
1 1 1  -14   19   16 o  216.842  105.969   20.827  296.648   20.827  296.648   0.0000   0.0000  216.842  105.969  ?   ?       ?      ? 
1 1 1  -14   19   17 o  186.169   58.483   63.014   81.615   91.026   89.441 -76.3709  199.515  192.818   77.562  179.521   87.550 13.29659 116.9654 
1 1 1  -14   19   18 o  177.982   51.538   51.015   21.082   50.619   21.195   87.786  204.352  152.171   36.216  203.793   96.504 -51.62189 103.0759 
1 1 1  -14   19   19 o  309.059   56.044  310.711   46.027  312.903   46.873  251.658  243.280  388.266   30.936  229.853  107.734 158.4132 112.0873 
1 1 1  -14   19   20 o  325.096   53.995  386.184   50.695  393.999   51.666  184.095  262.731  435.711   30.386  214.481  103.626 221.2294 107.9893 
1 1 1  -14   19   21 o  191.673   49.465   81.467   25.670   82.283   25.831   16.712  230.189  194.731   35.291  188.614   92.421 6.117737 98.92989 
1 1 1  -14   19   22 o  173.585   54.457   62.898   58.729   70.286   61.347 -18.1493  203.195  169.310   65.411  177.861   87.084 -8.550598 108.9142 
1 1 1  -14   19   23 f  191.865   48.720   85.804   27.500   86.326   27.764   58.693  200.026  197.731   37.350  185.999   89.998 11.73244 97.44055 
1 1 1  -14   20    1 o  197.977   57.821   70.333   70.917   65.854  117.946   72.869   88.752  201.866   85.787  194.087   77.548 7.778748 115.6421 
1 1 1  -14   20    2 o  122.733   42.362 -70.5577   47.230 -84.9119  112.447 -67.4830   52.043  148.776   70.779   96.689   46.566 52.08670 84.72385 
1 1 1  -14   20    3 o  162.083   52.210  -0.5820   57.922   1.8642  135.748  -1.1265   64.045  186.535   84.905  137.631   60.784 48.90436 104.4197 
1 1 1  -14   20    4 o  194.599   57.162   66.323   69.131   59.495  119.795   69.732   84.648  199.122   85.581  190.076   75.803 9.045212 114.3248 
1 1 1  -14   20    5 o  134.223   45.728 -83.4014   57.163 -29.1271  115.566 -100.9819   65.773  165.477   76.428  102.970   50.228 62.50702 91.45577 
1 1 1  -14   20    6 o  282.378   72.369  219.020  104.868  135.265  137.288  336.341  162.486  234.648   95.482  330.107  108.775 -95.45941 144.7376 
1 1 1  -14   20    7 o  347.509   57.277  310.834   87.014  498.842  125.057  134.394  121.148  462.936   69.224  232.083   91.274 230.8527 114.5549 
1 1 1  -14   20    8 o  179.758   55.099   29.161   73.796 -25.4034  107.741   77.382  101.285  160.762   74.091  198.755   81.573 -37.99364 110.1979 
1 1 1  -14   20    9 o  304.386   70.983  253.562   92.962  206.265  112.824  353.562  164.054  273.786   90.661  334.986  109.247 -61.19922 141.9656 
1 1 1  -14   20   10 o  289.867   67.862  244.110   88.599  249.966  107.995  232.053  154.950  305.249   86.635  274.486  104.476 30.76303 135.7234 
1 1 1  -14   20   11 o  177.799   52.776   27.478   70.827  110.046   90.189 -105.3754  114.402  212.759   80.002  142.839   68.855 69.91991 105.5522 
1 1 1  -14   20   12 o  306.985   60.320  295.372   84.562  354.411   98.882  134.667  163.142  384.142   68.472  229.828   99.325 154.3140 120.6400 
1 1 1  -14   20   13 o  137.239   64.822 -54.4419   91.117 -54.4419   91.117   0.0000   0.0000  137.239   64.822  ?   ?       ?      ? 
1 1 1  -14   20   14 o  223.169  106.524  100.085  259.150  100.085  259.150   0.0000   0.0000  223.169  106.524  ?   ?       ?      ? 
1 1 1  -14   20   15 f  219.865   62.029  144.192   85.264  177.680   97.933   39.293  173.329  245.975   84.477  193.755   90.853 52.21942 124.0589 
1 1 1  -14   20   16 o  186.960   60.855   43.579   76.668   22.181   83.501  158.497  193.512  154.656   68.799  219.265  100.400 -64.60872 121.7106 
1 1 1  -14   20   17 o  341.384   68.917  387.935   83.850  371.766   88.326  535.442  266.778  396.024   57.152  286.743  125.427 109.2807 137.8341 
1 1 1  -14   20   18 o  166.567   52.651   46.561   63.980   71.409   67.030 -207.9670  214.533  172.341   67.856  160.794   80.524 11.54727 105.3026 
1 1 1  -14   20   19 o  168.404   50.131   46.989   20.878   47.127   20.964   30.329  229.937  145.986   36.808  190.821   93.262 -44.83504 100.2625 
1 1 1  -14   20   20 o  222.759   64.132  152.429   71.722  143.967   75.229  236.885  237.665  223.702   74.029  221.815  104.746 1.887146 128.2650 
1 1 1  -14   20   21 o  185.184   54.840   89.520   57.578   95.441   60.760   37.399  180.271  188.744   66.439  181.623   87.266 7.120224 109.6791 
1 1 1  -14   20   22 o  136.301   44.293   22.529   17.431   22.861   17.533  -5.8603  162.236  105.092   35.749  167.510   81.052 -62.41839 88.58579 
1 1 1  -14   21    1 o  374.844   83.856  449.521  136.070  593.048  217.168  356.757  174.590  418.240  124.102  331.448  112.809 86.79218 167.7115 
1 1 1  -14   21    2 o  206.694   62.158   68.417   79.057  137.083  151.676   42.803   92.636  235.359   98.495  178.030   75.850 57.32915 124.3160 
1 1 1  -14   21    3 o  168.035   54.748  -4.4727   68.486  -3.5032  152.952  -4.7158   76.593  190.266   87.895  145.805   65.300 44.46092 109.4969 
1 1 1  -14   21    4 o  327.783   81.896  345.702  124.828  437.305  219.835  302.112  151.647  341.886  125.588  313.680  105.144 28.20587 163.7910 
1 1 1  -14   21    5 o  250.935  108.464  176.989  194.603  176.989  194.603   0.0000   0.0000  250.935  108.464  ?   ?       ?      ? 
1 1 1  -14   21    6 o  343.574   70.597  321.654   93.212  284.289  109.972  416.988  175.661  328.231   85.134  358.917  112.642 -30.68549 141.1947 
1 1 1  -14   21    7 o  232.714   63.188  109.109   75.874   53.077   89.954  247.261  141.249  180.436   75.702  284.993  101.193 -104.5573 126.3757 
1 1 1  -14   21    8 o  310.068   66.175  255.234   78.688  231.704   90.409  328.741  159.796  301.931   76.608  318.205  107.925 -16.27408 132.3506 
1 1 1  -14   21    9 o  140.729   46.282 -35.5980   61.517 -36.9600   86.593 -34.2102   87.409  139.963   65.163  141.495   65.741 -1.532761 92.56386 
1 1 1  -14   21   10 o  252.467   87.416  179.872  104.969  179.872  104.969   0.0000   0.0000  252.467   87.416  ?   ?       ?      ? 
1 1 1  -14   21   11 o  154.132   71.294 -18.8167  101.110 -18.8167  101.110   0.0000   0.0000  154.132   71.294  ?   ?       ?      ? 
1 1 1  -14   21   12 o  266.281   82.264  238.599  150.878  578.052  272.706   88.856  181.124  323.392  133.419  209.169   96.276 114.2231 164.5287 
1 1 1  -14   21   13 o  167.497   53.294   30.725   69.251   43.302   80.916  -3.7051  133.885  164.342   70.475  170.651   79.965 -6.309357 106.5890 
1 1 1  -14   21   14 o  227.168   54.880  159.171   66.883  199.826   78.214   48.553  129.015  273.067   72.270  181.270   82.610 91.79639 109.7609 
1 1 1  -14   21   15 f  149.967   47.540   18.298   56.787   38.703   67.617 -30.5456  104.612  153.098   65.005  146.837   69.386 6.261978 95.07941 
1 1 1  -14   21   16 o  192.537   56.831   60.397   59.923   18.263   67.495  217.212  130.212  141.579   62.470  243.495   94.955 -101.9163 113.6617 
1 1 1  -14   21   17 o  156.738   50.550   25.661   61.220   39.342   67.667 -36.0483  143.710  152.328   64.862  161.149   77.552 -8.820465 101.1007 
1 1 1  -14   21   18 o  284.914   60.892  294.570   78.115  305.448   84.119  226.427  210.538  346.271   64.628  223.556  103.220 122.7149 121.7831 
1 1 1  -14   21   19 o  197.146   56.099  109.017   58.056  112.175   61.543   83.495  174.969  203.457   66.939  190.836   90.042 12.62119 112.1985 
1 1 1  -14   21   20 o  201.675   42.091  118.699   28.948  124.519   29.383 -73.6323  168.908  243.950   30.864  159.399   78.320 84.55098 84.18262 
1 1 1  -14   22    1 o  235.720   68.773  126.463   94.302  248.310  175.155   76.727  111.905  272.811  108.964  198.630   83.941 74.18120 137.5470 
1 1 1  -14   22    2 o  200.246   62.382   63.627   86.651   82.236  168.080   56.890  101.125  214.641   96.389  185.851   79.218 28.78983 124.7648 
1 1 1  -14   22    3 o  228.464   69.203  118.723   98.719  199.775  194.827   90.724  114.508  251.897  108.703  205.031   85.672 46.86632 138.4057 
1 1 1  -14   22    4 o  266.879   76.556  209.082  112.257  349.921  219.071  158.932  130.725  296.020  120.553  237.739   94.393 58.28041 153.1115 
1 1 1  -14   22    5 o  167.504   57.032 -39.5490   67.359   70.512  190.984 -55.1850   71.985  213.960   98.621  121.048   57.308 92.91216 114.0632 
1 1 1  -14   22    6 o  197.486   56.634   86.196   69.582  115.733   93.986   50.369  103.509  213.083   81.305  181.890   78.862 31.19226 113.2681 
1 1 1  -14   22    7 o  245.124   83.468  167.051   95.581  167.051   95.581   0.0000   0.0000  245.124   83.468  ?   ?       ?      ? 
1 1 1  -14   22    8 o  217.547   80.375  126.789   90.248  126.789   90.248   0.0000   0.0000  217.547   80.375  ?   ?       ?      ? 
1 1 1  -14   22    9 o  192.368   64.061   35.640  104.589   39.990  244.723   34.668  115.686  208.057  100.397  176.678   79.597 31.37891 128.1220 
1 1 1  -14   22   10 o  164.844   57.482 -58.7450   83.489   36.355  226.322 -73.7250   89.824  201.583   97.089  128.105   61.564 73.47876 114.9632 
1 1 1  -14   22   11 o  157.173   50.250   16.483   64.055   12.119   80.983   23.775  104.690  149.030   66.917  165.315   74.981 -16.28523 100.4991 
1 1 1  -14   22   12 o  159.974   51.039   21.634   59.729   7.7611   69.431   61.133  117.153  138.912   62.196  181.036   80.942 -42.12306 102.0780 
1 1 1  -14   22   13 o  171.044   49.062   66.860   53.482   92.354   61.763  -9.5485  106.926  188.645   66.922  153.442   71.761 35.20309 98.12360 
1 1 1  -14   22   14 o  152.592   47.982   28.834   52.825   34.351   60.883   12.031  106.249  146.274   61.871  158.911   73.356 -12.63696 95.96422 
1 1 1  -14   22   15 o  172.104   50.815   67.341   58.157   89.334   68.731   11.901  109.125  184.553   69.741  159.654   73.925 24.89966 101.6301 
1 1 1  -14   22   16 o  116.898   40.281 -89.8417   53.957 -125.4595   67.060 -24.4481   90.865   94.634   47.012  139.163   65.423 -44.52866 80.56184 
1 1 1  -14   22   17 o  177.855   51.200   81.340   58.083  104.978   65.566  -4.8461  125.195  195.844   69.008  159.867   75.655 35.97655 102.4000 
1 1 1  -14   22   18 o  167.902   50.860   62.352   51.943   68.800   56.048   23.116  138.265  166.664   62.979  169.140   79.878 -2.475815 101.7196 
1 1 1  -14   22   19 o  221.964   63.564   51.221   51.957   11.100   54.254  495.158  180.470  126.157   55.819  317.770  114.217 -191.6126 127.1273 
1 1 1  -14   23    1 o  202.738   60.815   88.346   82.479   43.784  106.192  156.105  130.945  177.097   78.239  228.379   93.127 -51.28221 121.6306 
1 1 1  -14   23    2 o  198.962   93.130   46.380  180.755   46.380  180.755   0.0000   0.0000  198.962   93.130  ?   ?       ?      ? 
1 1 1  -14   23    3 o  233.014  105.969  185.274  210.879  185.274  210.879   0.0000   0.0000  233.014  105.969  ?   ?       ?      ? 
1 1 1  -14   23    4 o  167.190   82.222 -137.7281  187.494 -137.7281  187.494   0.0000   0.0000  167.190   82.222  ?   ?       ?      ? 
1 1 1  -14   23    5 o  250.984   76.475  200.181  118.549  441.085  239.874  122.325  136.367  291.192  122.969  210.776   90.951 80.41608 152.9493 
1 1 1  -14   23    6 o  181.251   55.908   53.479   74.139  112.803  114.827   11.067   97.088  204.363   85.624  158.139   71.912 46.22388 111.8157 
1 1 1  -14   23    7 o  173.076   58.530   5.0461   87.945 -34.5986  233.312   11.612   94.949  189.668   92.961  156.484   71.142 33.18483 117.0593 
1 1 1  -14   23    8 o  217.120   70.794  125.189  111.187  319.159  272.032   86.286  121.827  242.618  113.782  191.622   84.265 50.99615 141.5873 
1 1 1  -14   23    9 o  157.849   51.181   12.776   69.946   14.001   88.794   10.772  113.545  152.729   69.185  162.969   75.441 -10.23950 102.3614 
1 1 1  -14   23   10 o  167.005   51.498   41.393   68.832   92.838   82.043 -80.8896  126.489  187.982   74.735  146.027   70.872 41.95497 102.9961 
1 1 1  -14   23   11 o  242.584   63.002  189.279   73.352  177.285   84.080  227.493  150.074  245.538   78.038  239.630   98.929 5.907181 126.0032 
1 1 1  -14   23   12 o  148.982   48.813 -12.1919   60.836 -44.4819   72.732   63.026  111.007  120.521   57.216  177.444   79.102 -56.92345 97.62632 
1 1 1  -14   23   13 o  250.896   67.332  202.851   80.497  165.220   91.768  328.439  167.646  230.767   81.605  271.026  107.121 -40.25850 134.6635 
1 1 1  -14   23   14 o  228.164   65.101  169.721   81.002  141.936   93.326  254.580  163.097  214.110   81.181  242.218  101.794 -28.10823 130.2014 
1 1 1  -14   23   15 o  193.238   55.692  109.995   69.454  135.110   79.141   25.835  144.875  213.690   75.760  172.787   81.651 40.90298 111.3839 
1 1 1  -14   23   16 f  176.159   55.601   64.345   63.525   57.395   69.252  101.234  159.543  161.178   66.925  191.140   88.810 -29.96144 111.2030 
1 1 1  -14   23   17 o  177.331   56.069   61.057   58.942   45.105   63.452  161.457  159.185  150.761   63.433  203.901   92.474 -53.14043 112.1388 
1 1 1  -14   24    1 o  238.729   68.221  207.297   98.107  205.823  128.537  209.354  151.846  241.749   94.324  235.710   98.588 6.038742 136.4423 
1 1 1  -14   24    2 f  150.958   50.251 -32.5699   78.212   26.281  107.111 -99.7871  114.472  165.383   75.332  136.532   66.525 28.85144 100.5013 
1 1 1  -14   24    3 o  198.658   60.301   97.790   86.905  176.325  125.502   25.441  120.458  227.615   91.765  169.701   78.256 57.91405 120.6025 
1 1 1  -14   24    4 o  184.564   60.618   46.904   93.863  124.854  179.719   17.665  110.068  205.921   95.179  163.207   75.095 42.71326 121.2363 
1 1 1  -14   24    5 o  137.633   49.013 -134.5999   76.125 -53.0048  177.785 -152.9185   84.238  170.185   82.919  105.080   52.282 65.10466 98.02523 
1 1 1  -14   24    6 f  192.902   63.496   73.847  103.647  151.059  205.354   47.454  120.062  210.625   98.804  175.179   79.779 35.44550 126.9921 
1 1 1  -14   24    7 o  173.388   55.731   41.738   80.921   84.798  126.278   11.735  105.408  188.332   84.132  158.444   73.114 29.88879 111.4624 
1 1 1  -14   24    8 o  220.436   63.768  162.440   89.183  218.905  127.446  108.260  124.842  244.661   94.348  196.212   85.815 48.44876 127.5368 
1 1 1  -14   24    9 o  176.460   55.990   55.273   80.666   94.941  115.921   18.029  112.324  190.188   82.949  162.732   75.226 27.45659 111.9799 
1 1 1  -14   24   10 o  204.986   62.582  130.235   89.820  109.261  115.910  161.760  142.106  195.532   84.114  214.439   92.688 -18.90752 125.1645 
1 1 1  -14   24   11 o  204.684   63.993  119.836   93.659   75.446  112.889  217.870  167.763  181.384   80.374  227.984   99.601 -46.60017 127.9853 
1 1 1  -14   24   12 o  145.646   50.682 -125.7372   82.134 -207.9319   97.752   71.635  151.477  105.944   53.236  185.349   86.258 -79.40508 101.3632 
1 1 1  -14   24   13 o  178.984   58.297   64.345   89.779   69.037  105.610   52.117  170.482  175.670   77.795  182.298   86.845 -6.628769 116.5941 
1 1 1  -14   24   14 o  212.026   66.731  159.369   98.694  126.713  111.836  274.332  209.838  198.175   83.841  225.878  103.840 -27.70360 133.4623 
1 1 1  -14   25    1 o  132.471   45.981 -123.8461   82.804 -68.4087  108.798 -200.1644  127.654  138.512   66.865  126.430   63.135 12.08176 91.96168 
1 1 1  -14   25    2 o  175.952   55.996   18.598   89.997  151.870  122.207 -139.3225  133.029  213.789   88.848  138.116   68.178 75.67238 111.9918 
1 1 1  -14   25    3 o  164.803   54.909   3.2909   91.629   19.692  124.986 -15.7662  134.727  167.523   78.092  162.082   77.211 5.441162 109.8179 
1 1 1  -14   25    4 o  216.332   66.316  158.318  105.806  246.611  154.132   79.631  145.506  244.152  100.466  188.513   86.591 55.63943 132.6326 
1 1 1  -14   25    5 o  174.961   58.662   20.335  107.262 -54.0044  189.859   55.185  129.995  171.289   83.933  178.634   81.977 -7.344925 117.3240 
1 1 1  -14   25    6 o  144.020   69.641 -66.5512  119.290   0.0000   0.0000 -66.5512  119.290  ?   ?   144.020   69.641      ?      ? 
1 1 1  -14   25    7 o  133.746   65.471 -104.8976  114.673   0.0000   0.0000 -104.8976  114.673  ?   ?   133.746   65.471      ?      ? 
1 1 1  -14   25    8 o  172.948   58.337   15.192  102.438   56.082  181.526  -3.9138  124.084  186.225   88.963  159.671   75.487 26.55365 116.6737 
1 1 1  -14   25    9 o  154.661   52.211 -26.6724   87.736   15.219  128.936 -62.7953  119.730  165.426   77.822  143.896   69.627 21.53041 104.4227 
1 1 1  -14   25   10 o  228.330   64.789  195.064  100.390  298.368  132.495   55.815  153.829  276.796   98.037  179.863   84.731 96.93341 129.5785 
1 1 1  -14   25   11 o  132.038   46.380 -155.2545   92.589 -101.1654  117.747 -242.8806  149.869  134.131   65.801  129.946   65.381 4.184509 92.75998 
1 1 1  -14   25   12 o  198.741   65.583  125.961  109.714   79.220  125.923  273.271  223.548  178.788   81.531  218.695  102.749 -39.90657 131.1667 
1 1 1  -14   26    1 o  198.207   65.651  105.837  126.742  221.252  190.638   14.414  169.670  221.070  100.621  175.344   84.354 45.72633 131.3017 
1 1 1  -14   26    2 o  162.800   56.091 -46.5170  108.078   31.502  179.790 -90.6633  135.242  180.140   86.704  145.461   71.184 34.67850 112.1816 
1 1 1  -14   26    3 o  169.934   57.690   5.1614  109.482 -44.2719  189.542   29.912  134.119  169.759   83.320  170.109   79.814 -0.3506775 115.3804 
1 1 1  -14   26    4 o  148.125   49.820 -39.4113   82.695   33.671  104.910 -159.3274  134.384  162.380   74.192  133.870   66.511 28.51041 99.64024 
1 1 1  -14   26    5 o  171.889   56.801   40.329   94.319   56.054  136.698   26.041  130.304  176.507   82.076  167.272   78.543 9.234573 113.6023 
1 1 1  -14   26    6 o  140.709   48.771 -93.0176   90.524 -110.2229  137.397 -79.8202  120.334  141.925   69.910  139.493   68.021 2.431793 97.54110 
1 1 1  -14   26    7 o  167.043   56.951   0.5323  111.304 -50.5040  177.452   33.634  142.911  163.489   80.319  170.597   80.761 -7.107788 113.9014 
1 1 1  -13    0    1 o  778.060   31.337  1211.21  133.562  1211.21  133.562  1211.21  133.562  778.060   44.317  778.060   44.317 -0.000000 0.000000 
1 1 1  -13    0    2 o  456.916   25.430  418.945   63.211  418.945   63.211  418.945   63.211  456.916   35.963  456.916   35.963 0.000000 0.000000 
1 1 1  -13    0    3 o  714.672   20.973  1008.43   82.398  1008.43   82.398  1008.43   82.398  714.672   29.661  714.672   29.661 -0.000000 0.000000 
1 1 1  -13    0    4 f  342.177   16.825  232.682   31.419  232.682   31.419  232.682   31.419  342.177   23.794  342.177   23.794 0.000000 0.000000 
1 1 1  -13    0    5 o  556.594   18.866  611.602   57.647  611.602   57.647  611.602   57.647  556.594   26.680  556.594   26.680 0.000000 0.000000 
1 1 1  -13    0    6 o  991.190   25.387  1940.84  138.459  1940.84  138.459  1940.84  138.459  991.190   35.903  991.190   35.903 0.000000 0.000000 
1 1 1  -13    0    7 o  579.964   19.183  663.600   61.093  663.600   61.093  663.600   61.093  579.964   27.129  579.964   27.129 -0.000000 0.000000 
1 1 1  -13    0    8 o  636.386   28.526  807.188   99.263  807.188   99.263  807.188   99.263  636.386   40.342  636.386   40.342 0.000000 0.000000 
1 1 1  -13    0    9 o  524.562   18.553  542.975   53.404  542.975   53.404  542.975   53.404  524.562   26.238  524.562   26.238 0.000000 0.000000 
1 1 1  -13    0   10 o  614.665   19.654  744.715   66.361  744.715   66.361  744.715   66.361  614.665   27.795  614.665   27.795 0.000000 0.000000 
1 1 1  -13    0   11 o  556.380   18.974  610.415   57.953  610.415   57.953  610.415   57.953  556.380   26.834  556.380   26.834 0.000000 0.000000 
1 1 1  -13    0   12 o  1069.47   26.656  2255.77  156.883  2255.77  156.883  2255.77  156.883  1069.47   37.697  1069.47   37.697 -0.000000 0.000000 
1 1 1  -13    0   13 o  339.677   24.576  233.419   44.966  233.419   44.966  233.419   44.966  339.677   34.756  339.677   34.756 -0.000000 0.000000 
1 1 1  -13    0   14 o  700.529   20.897  966.883   80.464  966.883   80.464  966.883   80.464  700.529   29.553  700.529   29.553 -0.000000 0.000000 
1 1 1  -13    0   15 o  785.625   22.139  1216.32   95.642  1216.32   95.642  1216.32   95.642  785.625   31.309  785.625   31.309 -0.000000 0.000000 
1 1 1  -13    0   16 o  478.422   18.396  452.248   48.242  452.248   48.242  452.248   48.242  478.422   26.015  478.422   26.015 -0.000000 0.000000 
1 1 1  -13    0   17 o  246.600   18.774  123.200   24.801  123.200   24.801  123.200   24.801  246.600   26.551  246.600   26.551 0.000000 0.000000 
1 1 1  -13    0   18 o  320.139   18.395  204.728   32.007  204.728   32.007  204.728   32.007  320.139   26.015  320.139   26.015 -0.000000 0.000000 
1 1 1  -13    0   19 o  209.488   20.862   91.015   22.744   91.015   22.744   91.015   22.744  209.488   29.503  209.488   29.503 0.000000 0.000000 
1 1 1  -13    0   20 o  354.088   28.856  256.912   54.443  256.912   54.443  256.912   54.443  354.088   40.809  354.088   40.809 0.000000 0.000000 
1 1 1  -13    0   21 o  1427.41   33.642  4059.96  264.349  4059.96  264.349  4059.96  264.349  1427.41   47.576  1427.41   47.576 0.000000 0.000000 
1 1 1  -13    0   22 o  201.003   23.559   85.742   23.975   85.742   23.975   85.742   23.975  201.003   33.318  201.003   33.318 -0.000000 0.000000 
1 1 1  -13    0   23 o  225.087   22.682  105.727   26.521  105.727   26.521  105.727   26.521  225.087   32.078  225.087   32.078 0.000000 0.000000 
1 1 1  -13    0   24 o  144.190   29.853   50.458   20.634   50.458   20.634   50.458   20.634  144.190   42.219  144.190   42.219 -0.000000 0.000000 
1 1 1  -13    0   25 o  398.765   26.079  324.727   56.264  324.727   56.264  324.727   56.264  398.765   36.881  398.765   36.881 0.000000 0.000000 
1 1 1  -13    0   26 o  529.079   20.290  559.250   58.847  559.250   58.847  559.250   58.847  529.079   28.694  529.079   28.694 -0.000000 0.000000 
1 1 1  -13    0   27 o  258.595   22.630  138.844   30.967  138.844   30.967  138.844   30.967  258.595   32.003  258.595   32.003 0.000000 0.000000 
1 1 1  -13    0   29 o  157.601   33.400   61.862   25.309   61.862   25.309   61.862   25.309  157.601   47.234  157.601   47.234 -0.000000 0.000000 
1 1 1  -13    0   30 o  449.366   21.016  408.958   51.597  408.958   51.597  408.958   51.597  449.366   29.722  449.366   29.722 0.000000 0.000000 
1 1 1  -13    0   32 f  449.125   21.755  411.734   53.343  411.734   53.343  411.734   53.343  449.125   30.767  449.125   30.767 0.000000 0.000000 
1 1 1  -13    0   33 o   51.927   24.841  -8.5188   20.983  -8.5188   20.983  -8.5188   20.983   51.927   35.130   51.927   35.130 -0.000000 0.000000 
1 1 1  -13    0   34 o   48.451   23.685 -15.1920   21.499 -15.1920   21.499 -15.1920   21.499   48.451   33.495   48.451   33.495 0.000000 0.000000 
1 1 1  -13    1    1 o  527.915   26.109  554.270   53.720  588.596   78.293  523.734   73.844  543.319   36.927  512.510   36.922 30.80829 52.21868 
1 1 1  -13    1    2 o  292.882   19.959  171.924   21.500  177.222   26.561  161.857   36.616  300.164   22.675  285.601   32.853 14.56342 39.91870 
1 1 1  -13    1    3 o  424.664   17.230  355.026   28.552  361.229   40.573  348.940   40.188  428.354   24.272  420.974   24.463 7.379425 34.46099 
1 1 1  -13    1    4 o  338.588   16.419  225.432   21.694  223.843   30.530  227.053   30.832  337.387   23.188  339.790   23.252 -2.402893 32.83799 
1 1 1  -13    1    5 o  762.227   21.655  1148.31   64.412  1157.75   91.384  1139.00   90.805  765.348   30.597  759.106   30.653 6.241699 43.31031 
1 1 1  -13    1    6 o  544.644   18.599  584.000   39.527  593.271   56.289  574.981   55.518  548.912   26.278  540.375   26.327 8.536987 37.19739 
1 1 1  -13    1    7 o  264.040   16.269  136.942   16.752  143.486   23.810  130.526   23.574  270.321   22.571  257.760   23.436 12.56104 32.53809 
1 1 1  -13    1    8 o  567.638   26.927  639.457   59.646  638.135   84.058  640.798   84.648  567.071   37.985  568.205   38.175 -1.134277 53.85349 
1 1 1  -13    1    9 o  501.702   18.138  494.740   35.511  493.077   50.093  496.420   50.347  500.857   25.629  502.546   25.672 -1.688995 36.27566 
1 1 1  -13    1   10 o  714.605   20.914  1005.25   58.307  986.139   81.359  1025.42   83.603  707.652   29.461  721.558   29.691 -13.90601 41.82701 
1 1 1  -13    1   11 o  835.145   22.762  1372.81   74.098  1325.23  101.860  1426.29  107.989  819.899   31.836  850.391   32.541 -30.49200 45.52375 
1 1 1  -13    1   12 o  586.887   19.238  676.878   44.056  666.175   61.738  687.982   62.886  582.166   27.175  591.608   27.239 -9.441833 38.47656 
1 1 1  -13    1   13 f  634.003   28.086  796.586   69.484  805.095   98.989  788.322   97.556  637.320   39.801  630.687   39.638 6.633301 56.17199 
1 1 1  -13    1   14 o  903.560   23.878  1611.32   84.184  1593.30  117.894  1630.07  120.248  898.451   33.625  908.669   33.911 -10.21820 47.75573 
1 1 1  -13    1   15 o  412.486   17.656  334.224   28.420  338.097   40.209  330.358   40.175  414.889   24.835  410.083   25.104 4.805878 35.31287 
1 1 1  -13    1   16 o  366.039   17.407  263.102   24.855  253.354   34.762  273.299   35.552  359.085   24.807  372.991   24.425 -13.90616 34.81366 
1 1 1  -13    1   17 o  359.743   17.619  254.392   24.734  257.461   35.011  251.335   34.948  361.923   24.789  357.564   25.046 4.358765 35.23862 
1 1 1  -13    1   18 f  706.266   21.104  983.503   58.145  961.469   80.951  1006.98   83.570  698.134   29.713  714.399   29.976 -16.26453 42.20733 
1 1 1  -13    1   19 o  291.687   18.226  167.501   20.681  185.084   29.579  150.685   28.928  306.769   24.708  276.605   26.799 30.16464 36.45131 
1 1 1  -13    1   20 o  1008.75   37.468  2044.64  146.532  2235.36  223.300  1900.40  194.190  1048.50   54.574  969.001   51.354 79.49835 74.93699 
1 1 1  -13    1   21 o  449.271   18.760  397.779   32.859  423.499   47.312  373.813   45.671  463.352   26.165  435.191   26.892 28.16168 37.52092 
1 1 1  -13    1   22 o  292.946   19.452  169.711   22.221  160.836   30.994  179.098   31.875  285.017   27.866  300.875   27.148 -15.85770 38.90425 
1 1 1  -13    1   23 o  383.968   19.142  292.566   28.641  312.780   40.738  272.808   40.275  397.270   26.277  370.666   27.843 26.60379 38.28477 
1 1 1  -13    1   24 o  515.947   19.641  530.209   39.540  521.191   55.298  539.643   56.559  511.487   27.704  520.406   27.850 -8.918854 39.28291 
1 1 1  -13    1   25 o  485.650   37.972  481.818   71.966  481.818   71.966   0.0000   0.0000  485.650   37.972  ?   ?       ?      ? 
1 1 1  -13    1   26 o  528.081   20.167  560.632   41.552  575.287   59.007  546.216   58.524  535.068   28.259  521.094   28.780 13.97491 40.33418 
1 1 1  -13    1   27 o  466.025   19.935  437.421   36.253  440.116   51.153  434.702   51.386  467.547   28.036  464.502   28.348 3.044922 39.87025 
1 1 1  -13    1   28 o  198.896   34.479   94.781   25.267   62.990   50.658  105.309   29.153  170.736   60.604  227.057   32.901 -56.32094 68.95856 
1 1 1  -13    1   29 o  298.344   22.185  181.919   25.757  164.838   35.944  199.949   36.930  283.457   32.494  313.230   30.212 -29.77286 44.36913 
1 1 1  -13    1   30 o  383.828   21.362  302.427   31.988  293.213   44.648  312.145   45.852  377.778   30.285  389.879   30.137 -12.10110 42.72490 
1 1 1  -13    1   31 o  319.872   59.351  248.928   71.358  248.928   71.358   0.0000   0.0000  319.872   59.351  ?   ?       ?      ? 
1 1 1  -13    1   32 o  262.168   24.190  144.949   24.743  147.758   35.423  142.272   34.576  264.591   34.307  259.744   34.112 4.846985 48.37944 
1 1 1  -13    1   33 o  430.297   22.026  386.192   36.971  371.901   51.555  401.322   53.046  421.964   31.309  438.630   30.990 -16.66592 44.05249 
1 1 1  -13    1   34 o  295.839   23.603  182.728   26.854  230.667   40.463  144.990   35.900  331.441   31.284  260.237   35.351 71.20413 47.20522 
1 1 1  -13    2    1 o  229.163   19.797  107.340   16.588  115.525   20.660   92.490   27.827  242.429   21.838  215.897   33.028 26.53180 39.59489 
1 1 1  -13    2    2 o  238.917   19.163  110.655   16.990  106.482   20.827  118.955   29.374  232.677   22.938  245.157   30.703 -12.47974 38.32503 
1 1 1  -13    2    3 o  352.510   16.652  244.425   22.901  251.547   32.545  237.439   32.232  357.624   23.320  347.397   23.775 10.22729 33.30319 
1 1 1  -13    2    4 o  272.539   16.244  146.033   17.268  151.646   24.500  140.492   24.343  277.776   22.601  267.302   23.337 10.47391 32.48765 
1 1 1  -13    2    5 o  294.187   15.932  170.058   18.285  175.353   25.886  164.785   25.830  298.787   22.201  289.587   22.857 9.200500 31.86441 
1 1 1  -13    2    6 o  812.375   22.378  1303.86   70.928  1326.75  101.577  1282.09   99.084  819.288   31.771  805.462   31.523 13.82593 44.75582 
1 1 1  -13    2    7 o  268.993   16.237  142.081   17.043  140.239   23.981  143.962   24.227  267.229   22.996  270.757   22.929 -3.528320 32.47404 
1 1 1  -13    2    8 o  686.207   29.228  935.661   78.208  975.697  113.287  899.206  108.101  700.169   41.462  672.245   41.207 27.92456 58.45589 
1 1 1  -13    2    9 o  753.826   21.522  1120.05   63.307  1113.66   88.943  1126.61   90.128  751.676   30.322  755.976   30.551 -4.299988 43.04335 
1 1 1  -13    2   10 o  861.353   23.157  1463.99   77.836  1457.41  109.611  1470.68  110.548  859.421   32.683  863.285   32.814 -3.863953 46.31347 
1 1 1  -13    2   11 o  553.308   18.808  601.549   40.607  613.042   57.828  590.370   57.034  558.531   26.531  548.086   26.666 10.44513 37.61588 
1 1 1  -13    2   12 o  461.504   17.769  416.585   31.924  458.890   46.672  379.389   43.763  483.483   24.737  439.526   25.515 43.95673 35.53758 
1 1 1  -13    2   13 o  555.892   26.660  611.219   57.817  592.089   80.748  631.346   82.823  546.945   37.832  564.840   37.575 -17.89508 53.32053 
1 1 1  -13    2   14 o  475.091   18.055  442.676   33.441  470.820   48.292  416.744   46.355  489.609   25.275  460.572   25.791 29.03625 36.11075 
1 1 1  -13    2   15 o  610.474   19.694  733.298   46.915  732.684   66.066  733.922   66.633  610.237   27.743  610.712   27.959 -0.4757690 39.38715 
1 1 1  -13    2   16 o  398.469   17.669  312.028   27.474  313.426   38.830  310.627   38.879  399.371   24.915  397.567   25.060 1.803772 35.33743 
1 1 1  -13    2   17 o  522.368   18.867  536.805   38.452  553.266   54.884  520.936   53.889  530.257   26.523  514.479   26.841 15.77802 37.73495 
1 1 1  -13    2   18 o  425.395   18.314  355.945   30.372  378.354   43.400  334.435   42.520  438.587   25.357  412.204   26.433 26.38321 36.62889 
1 1 1  -13    2   19 o  246.815   19.091  120.054   18.379  122.229   25.744  117.794   26.247  249.140   26.479  244.490   27.510 4.649902 38.18293 
1 1 1  -13    2   20 o  385.793   27.870  298.593   41.698  324.119   57.716  270.723   60.309  403.713   36.635  367.874   42.010 35.83939 55.74004 
1 1 1  -13    2   21 o  719.356   21.636  1024.49   60.719  1054.53   87.064  996.046   84.725  729.623   30.578  709.089   30.618 20.53375 43.27205 
1 1 1  -13    2   22 o  210.884   21.741   88.339   17.881   84.163   25.085   92.653   25.494  205.757   31.241  216.011   30.243 -10.25443 43.48164 
1 1 1  -13    2   23 o  484.665   19.303  465.764   36.485  453.162   50.484  479.543   52.787  477.878   27.071  491.453   27.524 -13.57513 38.60590 
1 1 1  -13    2   24 o  719.628   22.053  1037.94   61.919  1044.52   86.909  1031.15   88.239  722.157   30.839  717.099   31.532 5.058044 44.10573 
1 1 1  -13    2   25 o  290.481   25.327  171.611   28.650  171.842   41.881  171.409   39.279  290.277   36.972  290.685   34.626 -0.4077454 50.65454 
1 1 1  -13    2   26 o  284.564   21.578  164.464   23.696  192.711   33.634  136.628   33.388  309.780   27.823  259.349   32.989 50.43115 43.15558 
1 1 1  -13    2   27 o  273.032   20.455  150.335   21.786  144.634   30.476  156.293   31.155  267.663   29.177  278.401   28.677 -10.73782 40.91003 
1 1 1  -13    2   28 o  214.055   32.779  101.744   24.057   93.654   47.381  104.554   27.924  201.505   57.451  226.604   31.578 -25.09856 65.55773 
1 1 1  -13    2   29 o  129.464   28.574   35.764   16.028   32.076   24.336   38.589   21.301  125.005   42.119  133.923   38.626 -8.918015 57.14900 
1 1 1  -13    2   30 o  394.647   21.052  319.023   32.362  293.335   44.820  347.001   46.775  377.659   30.412  411.634   29.119 -33.97559 42.10450 
1 1 1  -13    2   31 o  155.992   62.353   50.548   57.403   50.548   57.403   0.0000   0.0000  155.992   62.353  ?   ?       ?      ? 
1 1 1  -13    2   32 o  318.033   23.758  212.985   29.341  238.719   41.912  188.251   41.090  338.120   31.764  297.946   35.340 40.17398 47.51671 
1 1 1  -13    2   33 o  173.452   31.601   70.458   21.754   57.904   32.262   80.925   29.458  157.274   48.097  189.630   41.002 -32.35603 63.20148 
1 1 1  -13    2   34 o  121.382   29.983   27.568   16.939   46.522   29.312   18.064   20.756  142.025   46.171  100.740   38.264 41.28507 59.96582 
1 1 1  -13    3    1 o  498.702   21.842  468.860   39.332  553.734   73.115  434.296   46.658  527.855   35.494  469.550   25.463 58.30484 43.68325 
1 1 1  -13    3    2 o  673.631   20.348  895.727   53.482  915.878   76.456  876.420   74.839  681.050   28.768  666.213   28.786 14.83685 40.69661 
1 1 1  -13    3    3 o  280.462   16.321  154.568   17.858  150.094   24.993  159.236   25.527  276.307   23.179  284.616   22.983 -8.308441 32.64167 
1 1 1  -13    3    4 o  349.270   16.718  239.724   22.765  254.480   32.563  225.618   31.837  359.828   23.190  338.712   24.086 21.11551 33.43535 
1 1 1  -13    3    5 o  378.221   16.934  281.231   24.993  284.083   35.297  278.362   35.394  380.163   23.792  376.278   24.104 3.884369 33.86861 
1 1 1  -13    3    6 o  472.318   17.747  438.706   32.700  453.676   46.432  423.975   46.061  480.360   24.770  464.275   25.423 16.08417 35.49447 
1 1 1  -13    3    7 o  443.628   21.656  384.893   35.084  378.769   42.523  397.949   62.091  438.988   24.822  448.267   35.494 -9.279266 43.31258 
1 1 1  -13    3    8 o  581.255   23.458  665.576   50.723  673.652   86.024  661.272   62.801  582.878   37.819  579.631   27.764 3.247009 46.91619 
1 1 1  -13    3    9 o  712.572   20.896  999.854   58.099  1016.23   82.977  984.103   81.375  718.283   29.603  706.861   29.500 11.42206 41.79206 
1 1 1  -13    3   10 o  416.198   17.416  340.105   28.284  346.037   40.120  334.243   39.880  419.822   24.488  412.576   24.770 7.246155 34.83123 
1 1 1  -13    3   11 o  957.877   24.779  1811.83   92.601  1786.56  129.184  1838.53  132.806  951.088   34.806  964.666   35.278 -13.57764 49.55838 
1 1 1  -13    3   12 o  790.723   27.288  1217.40   78.200  1294.30  141.245  1183.41   93.906  806.383   44.885  775.063   31.047 31.31982 54.57654 
1 1 1  -13    3   13 o  802.972   31.673  1280.67   99.122  1227.15  136.049  1341.22  144.713  785.271   44.396  820.672   45.186 -35.40088 63.34654 
1 1 1  -13    3   14 f  659.494   20.333  855.572   52.316  879.602   74.894  832.672   73.112  668.543   28.707  650.445   28.803 18.09784 40.66589 
1 1 1  -13    3   15 o  537.370   18.890  567.816   39.606  564.427   55.483  571.337   56.556  535.763   26.537  538.977   26.889 -3.213928 37.77902 
1 1 1  -13    3   16 o  762.432   21.902  1146.88   65.164  1149.27   91.982  1144.47   92.331  763.255   30.882  761.610   31.066 1.645020 43.80359 
1 1 1  -13    3   17 o  243.109   17.867  116.341   16.538  152.385   24.227   84.887   22.632  278.621   22.282  207.597   27.936 71.02425 35.73417 
1 1 1  -13    3   18 f  171.765   22.017   60.954   14.021   94.508   20.424   31.043   19.283  219.294   23.866  124.237   37.007 95.05714 44.03479 
1 1 1  -13    3   19 o  227.030   18.833  101.507   16.684   99.857   23.444  103.199   23.748  225.158   26.682  228.902   26.586 -3.744385 37.66593 
1 1 1  -13    3   20 o  360.582   27.898  258.489   38.972  251.646   51.795  267.420   59.167  355.522   37.332  365.643   41.466 -10.12146 55.79541 
1 1 1  -13    3   21 o  310.662   18.928  190.623   22.939  193.005   32.169  188.158   32.720  312.693   26.362  308.632   27.167 4.061707 37.85517 
1 1 1  -13    3   22 o  302.739   19.408  181.694   22.904  186.628   31.952  176.479   32.848  307.097   26.662  298.381   28.211 8.716095 38.81603 
1 1 1  -13    3   23 o  218.933   20.675   95.511   17.623  103.499   25.055   87.689   24.793  228.162   28.140  209.704   30.297 18.45842 41.34921 
1 1 1  -13    3   24 o  397.626   25.694  320.001   39.795  323.208   58.185  317.182   54.547  399.082   37.361  396.170   35.283 2.911743 51.38785 
1 1 1  -13    3   25 o  255.633   24.644  132.730   23.591  132.814   39.219  132.682   29.532  254.249   39.528  257.017   29.444 -2.768173 49.28894 
1 1 1  -13    3   26 o  367.295   19.857  270.573   28.425  259.497   39.000  283.126   41.516  359.399   27.807  375.190   28.355 -15.79147 39.71490 
1 1 1  -13    3   27 o  366.845   20.457  271.707   29.254  274.370   40.574  268.823   42.216  369.032   28.175  364.659   29.666 4.373291 40.91323 
1 1 1  -13    3   28 o  234.664   22.919  112.420   20.855  129.130   30.020   96.832   28.994  252.112   30.513  217.217   34.205 34.89432 45.83709 
1 1 1  -13    3   29 o  478.880   20.920  467.111   39.031  465.904   53.686  468.465   56.845  478.797   28.733  478.962   30.413 -0.1649780 41.83916 
1 1 1  -13    3   30 o  155.631   28.898   54.711   18.534   34.859   27.082   72.202   25.420  128.891   44.414  182.371   36.983 -53.47993 57.79622 
1 1 1  -13    3   31 o  184.504   49.293   86.048   45.843   87.917   52.828   80.350   92.246  186.561   62.050  182.448   76.609 4.112289 98.58559 
1 1 1  -13    3   32 o  391.170   22.618  319.663   34.506  314.971   47.849  324.747   49.809  388.528   31.558  393.813   32.411 -5.285339 45.23687 
1 1 1  -13    3   33 o  377.948   23.093  298.935   33.868  258.694   46.400  344.818   49.547  349.706   34.000  406.190   31.258 -56.48395 46.18526 
1 1 1  -13    3   34 o  226.721   28.354  113.481   24.307  119.708   37.284  108.878   32.056  228.838   43.337  224.605   36.573 4.232773 56.70724 
1 1 1  -13    4    1 o  389.738   22.628  296.258   34.165  341.388   52.167  262.364   45.209  415.323   32.187  364.154   31.813 51.16913 45.25572 
1 1 1  -13    4    2 o  776.532   21.830  1191.85   66.152  1194.80   93.653  1188.92   93.453  777.491   30.867  775.573   30.877 1.917542 43.65981 
1 1 1  -13    4    3 o  321.403   15.893  202.972   19.928  207.537   28.093  198.350   28.273  325.072   22.146  317.733   22.802 7.338562 31.78615 
1 1 1  -13    4    4 o  460.241   17.692  416.623   31.774  423.709   45.125  409.655   44.747  464.138   24.913  456.344   25.127 7.794189 35.38436 
1 1 1  -13    4    5 o  273.578   16.022  146.988   17.094  154.076   24.288  140.033   24.061  280.146   22.217  267.009   23.092 13.13724 32.04417 
1 1 1  -13    4    6 o  592.019   19.265  689.806   44.504  702.702   63.417  677.293   62.469  597.479   27.199  586.559   27.291 10.91901 38.53021 
1 1 1  -13    4    7 o  467.778   25.451  432.605   46.377  470.265   66.932  397.828   64.319  487.480   35.184  448.075   36.784 39.40527 50.90177 
1 1 1  -13    4    8 o  1027.39   26.017  2090.10  104.308  2091.93  147.436  2088.27  147.590  1027.85   36.757  1026.92   36.829 0.9301758 52.03316 
1 1 1  -13    4    9 o  590.639   19.289  685.713   44.448  671.019   62.048  701.201   63.702  584.153   27.219  597.125   27.337 -12.97266 38.57724 
1 1 1  -13    4   10 o  520.228   18.503  531.620   37.557  524.969   52.553  538.563   53.694  516.919   26.052  523.537   26.281 -6.618164 37.00546 
1 1 1  -13    4   11 o  512.408   18.415  515.864   36.817  522.463   51.833  509.145   52.303  515.754   25.753  509.063   26.328 6.691528 36.82967 
1 1 1  -13    4   12 o  946.854   49.440  1792.08  182.681   0.0000   0.0000  1792.08  182.681  ?   ?   946.854   49.440      ?      ? 
1 1 1  -13    4   13 o  390.339   17.498  299.185   26.620  318.961   37.923  279.975   37.377  403.118   24.106  377.560   25.368 25.55795 34.99502 
1 1 1  -13    4   14 o  298.033   17.264  173.171   19.985  152.007   27.112  198.357   29.576  278.189   24.974  317.878   23.842 -39.68851 34.52734 
1 1 1  -13    4   15 o  819.585   22.699  1324.89   72.573  1362.23  104.388  1289.97  100.965  830.724   32.200  808.446   32.003 22.27759 45.39877 
1 1 1  -13    4   16 o  743.480   21.684  1090.38   62.904  1081.99   88.162  1099.08   89.781  740.609   30.504  746.351   30.825 -5.742676 43.36721 
1 1 1  -13    4   17 o  553.326   19.314  602.488   41.684  629.928   59.728  576.435   58.200  565.647   27.058  541.005   27.567 24.64185 38.62787 
1 1 1  -13    4   18 o  597.601   19.946  703.971   46.512  714.732   65.755  693.195   65.800  602.220   27.980  592.981   28.435 9.239502 39.89235 
1 1 1  -13    4   19 o  889.843   34.652  1586.75  119.770  1508.57  160.396  1685.29  180.068  866.083   47.457  913.602   50.507 -47.51923 69.30428 
1 1 1  -13    4   20 o  844.161   29.860  1326.08   85.643  1230.26   97.757  1642.44  177.620  788.059   31.788  900.263   50.558 -112.2037 59.72082 
1 1 1  -13    4   21 o  465.482   19.474  428.802   35.308  460.432   50.058  397.487   49.808  482.793   26.570  448.171   28.479 34.62134 38.94841 
1 1 1  -13    4   22 o  208.188   21.841   86.365   17.687   94.884   25.146   78.025   24.882  218.542   29.486  197.834   32.230 20.70866 43.68240 
1 1 1  -13    4   23 o  145.617   22.963   42.671   15.072   4.7460   21.246   81.091   21.384   89.221   37.060  202.013   27.126 -112.7918 45.92654 
1 1 1  -13    4   24 o  375.009   34.751  284.313   50.856   0.0000   0.0000  284.313   50.856  ?   ?   375.009   34.751      ?      ? 
1 1 1  -13    4   25 f  261.354   21.030  137.416   21.443  138.048   30.049  136.761   30.609  262.060   29.383  260.649   30.093 1.410828 42.05920 
1 1 1  -13    4   26 o  111.532   25.944   23.854   12.754   29.858   20.923   20.305   16.089  120.949   38.981  102.116   34.247 18.83327 51.88835 
1 1 1  -13    4   27 o  344.730   30.454  211.544   32.221  190.466   35.236  319.128   79.607  306.974   29.414  382.485   53.334 -75.51038 60.90720 
1 1 1  -13    4   28 o  133.656   27.789   35.687   15.417   51.503   24.806   25.732   19.680  154.010   40.671  113.302   37.878 40.70757 55.57755 
1 1 1  -13    4   29 o  358.325   21.621  262.892   30.205  269.290   42.189  256.163   43.262  363.237   29.763  353.413   31.369 9.823975 43.24168 
1 1 1  -13    4   30 f  227.206   34.205  107.943   30.328   0.0000   0.0000  107.943   30.328  ?   ?   227.206   34.205      ?      ? 
1 1 1  -13    4   31 o  260.406   45.083  164.278   34.936  160.950   37.579  185.480   94.844  276.071   34.881  244.742   83.146 31.32903 90.16613 
1 1 1  -13    4   32 o  196.312   29.435   85.956   21.700   92.340   33.058   81.123   28.764  201.828   43.272  190.796   39.915 11.03203 58.86965 
1 1 1  -13    4   33 o  195.877   29.604   93.455   23.454   39.361   35.020  137.455   31.584  135.584   50.073  256.170   31.594 -120.5859 59.20709 
1 1 1  -13    5    1 o  183.166   27.398   68.851   19.365   51.876   27.538   85.459   27.238  158.564   43.289  207.767   33.594 -49.20258 54.79524 
1 1 1  -13    5    2 o  364.576   20.205  261.503   27.430  260.230   34.011  263.871   46.395  363.868   23.952  365.283   32.547 -1.414734 40.41061 
1 1 1  -13    5    3 o  723.599   60.478  1002.58   79.643  988.024   81.945  1250.80  338.390  707.703   29.672  739.494  117.260 -31.79138 120.9559 
1 1 1  -13    5    4 o  348.766   22.006  250.121   27.584  268.991   33.844  212.784   47.608  370.057   23.436  327.474   37.254 42.58383 44.01251 
1 1 1  -13    5    5 o  646.685   20.044  822.579   50.548  860.239   73.083  788.041   69.988  660.856   28.339  632.513   28.355 28.34326 40.08812 
1 1 1  -13    5    6 o  479.241   22.535  459.006   39.562  470.555   48.605  436.334   68.101  489.279   25.456  469.204   37.193 20.07462 45.06997 
1 1 1  -13    5    7 o  869.362   33.126  1492.46  112.383   0.0000   0.0000  1492.46  112.383  ?   ?   869.362   33.126      ?      ? 
1 1 1  -13    5    8 o  166.514   17.110   54.488   11.107   56.146   15.533   52.754   15.888  169.135   23.534  163.893   24.842 5.242401 34.21943 
1 1 1  -13    5    9 o  469.793   17.914  433.489   32.840  435.374   46.194  431.563   46.695  470.849   25.141  468.737   25.528 2.112000 35.82888 
1 1 1  -13    5   10 o  437.862   17.741  375.797   30.286  360.571   41.765  392.684   43.984  428.537   24.974  447.188   25.204 -18.65036 35.48174 
1 1 1  -13    5   11 o  900.208   29.268  1625.07   98.159  1549.19  163.252  1668.04  122.846  881.187   47.474  919.229   34.246 -38.04303 58.53696 
1 1 1  -13    5   12 o  797.089   44.435  1264.42  138.219   0.0000   0.0000  1264.42  138.219  ?   ?   797.089   44.435      ?      ? 
1 1 1  -13    5   13 o  362.113   17.464  256.850   24.648  243.769   33.875  271.569   35.932  352.345   24.636  371.882   24.760 -19.53671 34.92853 
1 1 1  -13    5   14 o  230.547   18.704  104.660   16.771  106.577   22.924  102.453   24.601  232.901   25.222  228.193   27.626 4.707565 37.40833 
1 1 1  -13    5   15 o  701.135   21.068  968.789   57.631  959.935   80.507  978.094   82.534  697.905   29.560  704.364   30.027 -6.458740 42.13545 
1 1 1  -13    5   16 o  900.032   24.129  1601.34   84.709  1652.07  122.027  1554.17  117.685  913.740   34.222  886.324   34.025 27.41583 48.25788 
1 1 1  -13    5   17 o  679.693   20.861  910.436   55.301  888.480   76.632  934.294   79.883  671.211   29.256  688.175   29.746 -16.96442 41.72211 
1 1 1  -13    5   18 o  492.833   19.198  478.246   36.874  474.003   50.770  482.983   53.643  490.628   26.517  495.037   27.768 -4.408203 38.39542 
1 1 1  -13    5   19 o  876.604   34.493  1537.06  117.186  1447.41  155.247  1655.79  178.661  848.213   46.901  904.996   50.589 -56.78284 68.98504 
1 1 1  -13    5   20 o  664.851   21.027  874.678   54.546  883.219   76.722  865.948   77.565  668.230   29.421  661.471   30.049 6.758850 42.05383 
1 1 1  -13    5   21 o  858.566   23.859  1467.00   79.861  1431.32  110.057  1506.68  116.063  847.803   33.265  869.329   34.212 -21.52643 47.71826 
1 1 1  -13    5   22 o  381.592   19.279  289.394   28.645  301.916   39.808  275.949   41.250  390.422   26.128  372.762   28.357 17.66028 38.55854 
1 1 1  -13    5   23 o  209.714   21.229   87.864   17.306   98.247   24.814   78.031   24.147  221.998   28.643  197.431   31.342 24.56686 42.45847 
1 1 1  -13    5   24 o  289.627   25.592  165.202   28.365  197.825   45.963  145.135   36.048  311.487   37.812  267.767   34.498 43.71991 51.18492 
1 1 1  -13    5   25 o  406.803   20.257  333.038   32.086  342.266   44.329  322.884   46.502  413.196   27.492  400.409   29.760 12.78726 40.51499 
1 1 1  -13    5   26 o  307.493   20.709  190.255   24.813  177.615   34.117  204.448   36.153  296.617   29.474  318.370   29.099 -21.75290 41.41855 
1 1 1  -13    5   27 o  145.950   34.820   49.288   24.187   63.022   25.495 -74.3824   76.503  171.224   39.024  120.676   57.678 50.54861 69.63915 
1 1 1  -13    5   28 o  469.439   21.007  446.459   38.383  431.644   52.105  464.036   56.755  461.423   28.937  477.454   30.461 -16.03177 42.01413 
1 1 1  -13    5   29 o  400.138   21.312  327.918   33.215  329.971   45.707  325.620   48.352  402.084   29.130  398.191   31.116 3.893158 42.62348 
1 1 1  -13    5   30 o  138.150   40.079   42.185   22.873   0.0000   0.0000   42.185   22.873  ?   ?   138.150   40.079      ?      ? 
1 1 1  -13    5   31 f  171.653   45.379   36.237   27.925   21.811   29.558  156.079   85.195  114.457   45.062  228.848   78.780 -114.3907 90.75711 
1 1 1  -13    5   32 o   92.604   26.399   10.129   15.360 -14.2792   28.470   20.150   18.243   83.374   38.299  101.834   36.344 -18.45972 52.79889 
1 1 1  -13    5   33 f  349.651   23.477  256.248   31.866  295.249   47.188  223.553   43.205  374.657   32.275  324.644   34.103 50.01315 46.95457 
1 1 1  -13    6    1 o  340.997   23.528  229.743   31.260  232.852   45.615  226.990   42.925  343.061   34.073  338.933   32.454 4.128448 47.05523 
1 1 1  -13    6    2 o  237.786   20.834  126.071   16.517  154.393   20.799   77.716   27.177  280.692   18.988  194.881   37.091 85.81061 41.66861 
1 1 1  -13    6    3 o  398.330   48.695  394.042   52.874  428.446   58.571  242.541  122.909  465.766   32.224  330.894   91.904 134.8719 97.39003 
1 1 1  -13    6    4 o  245.800   19.776  121.645   17.600  126.650   21.494  111.459   30.664  254.086   21.677  237.514   33.083 16.57129 39.55224 
1 1 1  -13    6    5 o  766.752   26.874  1195.48   77.712  1311.78  101.099  1027.53  121.492  815.340   31.774  718.164   43.350 97.17560 53.74809 
1 1 1  -13    6    6 o  402.174   24.328  306.762   37.125  432.211   58.866  223.910   47.839  468.013   32.231  336.335   36.449 131.6786 48.65538 
1 1 1  -13    6    7 o  601.406   24.124  678.787   51.399  633.771   60.178  800.200   98.829  567.718   27.163  635.095   39.876 -67.37677 48.24875 
1 1 1  -13    6    8 o  212.433   15.739   88.723   13.014   94.505   18.211   82.688   18.604  219.572   21.253  205.294   23.222 14.27745 31.47886 
1 1 1  -13    6    9 o  633.511   19.948  787.826   49.269  830.448   71.509  749.308   67.978  649.793   28.200  617.229   28.222 32.56390 39.89667 
1 1 1  -13    6   10 o  441.562   17.862  382.956   30.771  392.267   43.433  373.572   43.601  446.992   24.899  436.132   25.618 10.86032 35.72478 
1 1 1  -13    6   11 o  566.253   26.935  632.918   59.414  665.728   87.255  604.554   81.127  579.794   38.564  552.712   37.613 27.08179 53.86931 
1 1 1  -13    6   12 o  696.107   21.076  953.996   57.236  948.246   79.865  960.068   82.068  694.018   29.489  698.197   30.121 -4.178406 42.15251 
1 1 1  -13    6   13 o  634.386   20.115  792.163   49.794  800.728   70.251  783.515   70.589  637.875   28.222  630.896   28.671 6.979858 40.23065 
1 1 1  -13    6   14 o  372.172   18.363  273.027   26.561  281.463   36.320  263.329   38.944  378.513   24.588  365.830   27.279 12.68289 36.72510 
1 1 1  -13    6   15 o  364.068   18.061  260.084   25.628  250.280   35.185  271.164   37.403  356.804   25.269  371.332   25.811 -14.52750 36.12157 
1 1 1  -13    6   16 o  575.023   19.746  650.517   44.264  633.569   60.980  669.393   64.355  567.190   27.550  582.857   28.293 -15.66705 39.49103 
1 1 1  -13    6   17 f  436.961   18.854  375.744   32.051  416.400   46.038  337.504   44.649  460.035   25.645  413.888   27.644 46.14734 37.70704 
1 1 1  -13    6   18 o  235.616   34.201  113.845   28.019  113.954   33.011  113.564   52.991  239.658   35.297  231.574   58.592 8.084045 68.40266 
1 1 1  -13    6   19 o  487.690   25.857  451.844   42.598  431.728   48.730  517.024   87.718  467.929   26.686  507.451   44.296 -39.52234 51.71348 
1 1 1  -13    6   20 o  871.703   24.114  1511.90   82.022  1531.72  115.800  1491.94  116.193  877.580   33.814  865.826   34.389 11.75366 48.22816 
1 1 1  -13    6   21 o  176.080   22.573   61.778   15.041   77.984   22.708   49.110   20.077  198.217   29.356  153.943   34.298 44.27383 45.14599 
1 1 1  -13    6   22 o  275.850   20.803  152.636   22.219  167.446   30.701  136.347   32.197  290.428   27.088  261.272   31.579 29.15579 41.60528 
1 1 1  -13    6   23 o  455.589   35.917  419.764   63.856   0.0000   0.0000  419.764   63.856  ?   ?   455.589   35.917      ?      ? 
1 1 1  -13    6   24 f  551.707   30.845  612.720   66.408   0.0000   0.0000  612.720   66.408  ?   ?   551.707   30.845      ?      ? 
1 1 1  -13    6   25 o  288.129   21.487  164.724   23.652  123.323   31.477  218.420   35.847  246.473   32.726  329.784   27.854 -83.31152 42.97468 
1 1 1  -13    6   26 o  281.579   21.676  159.802   23.758  148.270   32.272  173.448   35.104  270.575   30.564  292.584   30.745 -22.00983 43.35220 
1 1 1  -13    6   27 o  593.631   29.734  713.963   68.882  713.963   68.882   0.0000   0.0000  593.631   29.734  ?   ?       ?      ? 
1 1 1  -13    6   28 f  144.285   28.423   46.829   17.415   27.195   27.389   60.154   22.563  120.853   44.339  167.717   35.576 -46.86372 56.84683 
1 1 1  -13    6   29 o  348.855   26.950  255.965   34.968  261.148   59.065  253.168   43.389  347.460   43.561  350.250   31.745 -2.789520 53.90045 
1 1 1  -13    6   30 o  171.300   45.789   71.420   42.175   85.471   48.097   24.668   87.733  186.000   59.013  156.600   70.029 29.39951 91.57815 
1 1 1  -13    6   31 o  156.052   30.353   57.361   19.455   41.395   31.292   67.422   24.840  137.260   47.716  174.845   37.528 -37.58493 60.70616 
1 1 1  -13    6   32 o   84.302   23.945   3.6497   14.315 -45.4394   28.275   20.568   16.600   67.496   32.926  101.108   34.776 -33.61194 47.89061 
1 1 1  -13    6   33 o  240.646   28.008  127.872   25.109  126.669   39.408  128.695   32.577  235.083   44.589  246.209   33.906 -11.12581 56.01539 
1 1 1  -13    7    1 o  235.942   71.288  116.507   71.182   0.0000   0.0000  116.507   71.182  ?   ?   235.942   71.288      ?      ? 
1 1 1  -13    7    2 o  456.473   21.301  420.386   36.477  451.579   46.710  371.626   58.400  479.409   24.967  433.536   34.519 45.87283 42.60150 
1 1 1  -13    7    3 o  743.338   30.312  1089.06   87.929  1089.06   87.929   0.0000   0.0000  743.338   30.312  ?   ?       ?      ? 
1 1 1  -13    7    4 o  249.247   20.926  112.103   18.147  101.198   20.891  145.628   36.630  227.055   23.577  271.440   34.580 -44.38533 41.85295 
1 1 1  -13    7    5 o  480.446   25.097  452.246   46.834  512.870   70.050  403.244   62.978  509.340   35.243  451.552   35.740 57.78799 50.19349 
1 1 1  -13    7    6 o  181.775   24.798   75.429   15.254   87.226   18.177   47.345   28.046  210.900   22.086  152.650   44.407 58.24985 49.59619 
1 1 1  -13    7    7 o  783.081   26.200  1222.19   76.971  1247.43   96.991  1179.26  126.502  795.638   31.238  770.525   42.071 25.11322 52.39994 
1 1 1  -13    7    8 o  747.340   25.564  1099.42   71.485  1087.85   89.044  1120.39  119.894  743.179   30.703  751.501   40.882 -8.322510 51.12773 
1 1 1  -13    7    9 o  818.202   26.738  1334.60   82.525  1364.79  104.837  1285.41  133.813  832.018   32.289  804.385   42.629 27.63336 53.47664 
1 1 1  -13    7   10 o  370.247   35.482  270.863   51.266  270.863   51.266   0.0000   0.0000  370.247   35.482  ?   ?       ?      ? 
1 1 1  -13    7   11 o  752.207   26.350  1118.06   73.025  1114.56   89.562  1125.01  126.134  752.198   30.511  752.216   42.969 -0.1757813E-01 52.70002 
1 1 1  -13    7   12 o  551.379   19.375  597.559   41.645  589.577   57.432  606.410   60.475  547.581   26.877  555.176   27.913 -7.594910 38.74949 
1 1 1  -13    7   13 o  596.303   19.857  700.016   46.193  720.289   65.410  679.846   65.245  604.986   27.705  587.620   28.452 17.36639 39.71302 
1 1 1  -13    7   14 o  528.589   19.131  548.801   39.417  528.664   54.188  571.430   57.443  518.354   26.788  538.823   27.318 -20.46912 38.26109 
1 1 1  -13    7   15 o  581.760   19.826  666.710   44.984  667.510   62.579  665.855   64.707  582.217   27.543  581.302   28.524 0.9151001 39.65177 
1 1 1  -13    7   16 o  374.533   19.015  277.445   27.594  315.408   39.039  239.542   39.009  400.485   24.979  348.581   28.677 51.90448 38.03064 
1 1 1  -13    7   17 o  853.983   23.670  1443.96   78.878  1463.19  111.684  1424.82  111.417  859.725   33.289  848.241   33.659 11.48340 47.33996 
1 1 1  -13    7   18 o  311.824   36.188  217.225   38.278  247.655   46.870  156.273   66.333  353.386   33.987  270.262   63.901 83.12408 72.37688 
1 1 1  -13    7   19 o  750.093   22.455  1113.30   65.614  1082.84   89.717  1148.31   96.206  739.327   31.096  760.859   32.402 -21.53113 44.90921 
1 1 1  -13    7   20 o  788.608   23.110  1234.07   70.943  1194.26   96.393  1281.11  104.790  775.143   31.866  802.072   33.479 -26.92896 46.22044 
1 1 1  -13    7   21 o  210.339   21.202   87.778   17.309  101.038   25.159   75.861   23.851  225.568   28.581  195.111   31.325 30.45642 42.40446 
1 1 1  -13    7   22 f  775.024   23.291  1205.23   70.372  1216.19   97.635  1193.39  101.522  779.216   32.108  770.832   33.750 8.384399 46.58297 
1 1 1  -13    7   23 o  471.383   36.301  451.009   66.776   0.0000   0.0000  451.009   66.776  ?   ?   471.383   36.301      ?      ? 
1 1 1  -13    7   24 o  401.231   20.466  322.985   31.926  318.506   43.206  328.373   47.384  398.628   27.774  403.835   30.068 -5.207153 40.93247 
1 1 1  -13    7   25 o  434.917   20.360  378.037   34.374  352.880   45.838  410.361   51.958  418.868   28.043  450.966   29.524 -32.09866 40.71953 
1 1 1  -13    7   26 o  445.392   21.417  403.737   36.957  422.410   50.163  381.569   54.655  457.860   28.075  432.923   32.351 24.93713 42.83428 
1 1 1  -13    7   27 o  357.947   21.732  261.756   30.207  279.670   41.796  242.166   43.707  371.709   28.814  344.185   32.541 27.52390 43.46443 
1 1 1  -13    7   28 o  208.110   27.140   95.856   20.968   56.934   29.827  133.885   29.483  159.922   45.579  256.297   29.478 -96.37483 54.28088 
1 1 1  -13    7   29 o  571.710   33.151  680.078   73.962   0.0000   0.0000  680.078   73.962  ?   ?   571.710   33.151      ?      ? 
1 1 1  -13    7   30 o  305.456   44.850  226.745   39.019  223.639   42.511  243.356   98.316  326.588   33.355  284.323   83.269 42.26477 89.70089 
1 1 1  -13    7   31 o  383.658   22.955  307.703   34.311  284.435   47.521  333.043   49.592  368.025   33.089  399.292   31.826 -31.26715 45.91058 
1 1 1  -13    7   32 o  128.973   30.649   37.369   18.404   22.369   33.212   44.016   22.109  117.733   47.297  140.213   38.991 -22.48013 61.29716 
1 1 1  -13    7   33 o  192.024   31.677   92.054   24.611   51.410   39.148  118.615   31.647  148.254   53.206  235.793   34.393 -87.53960 63.35444 
1 1 1  -13    8    1 o  286.421   24.162  162.341   26.951  172.522   37.877  151.901   38.356  295.667   32.828  277.174   35.461 18.49365 48.32375 
1 1 1  -13    8    2 o  635.121   27.889  800.421   68.904  805.971   93.996  793.975  101.304  637.930   37.758  632.313   41.055 5.617004 55.77755 
1 1 1  -13    8    3 o  677.359   41.661  911.419  110.124  911.419  110.124   0.0000   0.0000  677.359   41.661  ?   ?       ?      ? 
1 1 1  -13    8    4 o  407.710   23.375  326.255   37.014  374.441   54.347  284.565   50.551  435.789   31.957  379.629   34.122 56.15988 46.75027 
1 1 1  -13    8    5 o  689.810   24.581  943.811   63.334  953.914   79.139  925.816  105.622  696.211   29.128  683.409   39.604 12.80249 49.16276 
1 1 1  -13    8    6 o  323.460   20.440  215.742   23.754  234.938   29.256  178.608   40.690  346.182   21.656  300.738   34.671 45.44312 40.87906 
1 1 1  -13    8    7 o  593.535   23.363  688.586   51.302  675.439   62.935  714.622   88.565  586.149   27.514  600.922   37.767 -14.77307 46.72670 
1 1 1  -13    8    8 o  332.252   21.772  216.989   25.756  216.344   30.676  218.530   47.413  332.054   23.673  332.449   36.546 -0.3948975 43.54363 
1 1 1  -13    8    9 f  678.663  128.219  1066.94  327.133   0.0000   0.0000  1066.94  327.133  ?   ?   678.663  128.219      ?      ? 
1 1 1  -13    8   10 o  444.572   52.330  449.723   45.630  456.703   47.587  370.064  160.763  482.210   25.288  406.933  101.558 75.27722 104.6594 
1 1 1  -13    8   11 o  731.872   29.724  1034.88   83.657  883.521  107.866  1263.35  132.524  666.801   41.453  796.943   42.612 -130.1423 59.44869 
1 1 1  -13    8   12 o  527.197   23.583  547.989   45.636  545.928   55.750  552.176   79.451  526.793   27.119  527.601   38.589 -0.8079834 47.16500 
1 1 1  -13    8   13 o  939.424   29.290  1774.69  104.260  1840.37  133.955  1673.75  166.056  964.105   35.604  914.743   46.518 49.36243 58.57992 
1 1 1  -13    8   14 o  628.875   26.482  797.692   59.829  819.587   72.357  750.366  106.381  644.896   28.752  612.855   44.481 32.04065 52.96431 
1 1 1  -13    8   15 o  271.484   19.043  146.862   19.898  170.419   27.715  121.801   28.585  294.466   24.118  248.502   29.477 45.96390 38.08654 
1 1 1  -13    8   16 o  426.469   19.595  358.315   32.476  357.384   43.952  359.434   48.197  426.048   26.435  426.890   28.932 -0.8415833 39.19016 
1 1 1  -13    8   17 o  156.133   37.972   41.595   20.298   41.424   21.487   43.014   61.877  141.858   38.035  170.408   65.733 -28.54994 75.94410 
1 1 1  -13    8   18 o  613.459   30.841  744.875   73.832   0.0000   0.0000  744.875   73.832  ?   ?   613.459   30.841      ?      ? 
1 1 1  -13    8   19 o  123.358   24.519   31.586   12.729   20.133   19.145   40.660   17.041  106.298   37.302  140.418   31.833 -34.11988 49.03840 
1 1 1  -13    8   20 f  304.058   20.582  183.233   24.338  180.420   32.970  186.602   36.079  301.688   28.004  306.427   30.171 -4.739075 41.16489 
1 1 1  -13    8   21 o  446.152   20.302  395.435   35.168  390.083   47.275  402.067   52.625  443.182   27.335  449.123   30.026 -5.941833 40.60476 
1 1 1  -13    8   22 o  271.271   27.220  145.229   27.414  163.953   47.733  136.014   33.487  282.490   43.300  260.053   32.997 22.43649 54.43998 
1 1 1  -13    8   23 o  516.658   20.947  534.066   41.980  519.323   56.058  552.891   63.345  509.248   28.208  524.068   30.974 -14.82077 41.89345 
1 1 1  -13    8   24 o  280.830   21.457  159.370   23.473  163.168   32.513  155.236   33.924  284.654   29.269  277.006   31.382 7.647797 42.91311 
1 1 1  -13    8   25 o  853.440   25.135  1487.77   83.294  1436.53  111.622  1552.16  125.122  838.563   34.110  868.317   36.925 -29.75427 50.26908 
1 1 1  -13    8   26 o  178.311   26.817   70.802   18.603   40.097   27.511   96.670   25.251  138.101   44.718  218.521   29.611 -80.42001 53.63313 
1 1 1  -13    8   27 o  440.785   22.232  392.723   37.930  366.067   49.954  429.015   58.288  424.080   30.185  457.490   32.649 -33.40970 44.46418 
1 1 1  -13    8   28 o  287.782   22.644  170.714   25.429  173.193   36.226  168.306   35.703  289.839   32.028  285.724   32.020 4.114899 45.28892 
1 1 1  -13    8   29 o  156.428   47.423   17.272   33.168   4.8924   35.070  122.206  102.102  106.363   46.009  206.492   82.938 -100.1290 94.84528 
1 1 1  -13    8   30 o  160.290   29.965   58.063   18.436   57.856   31.540   58.171   22.722  158.008   47.388  162.572   36.686 -4.563965 59.92908 
1 1 1  -13    8   31 o  334.655   23.645  235.771   30.709  206.359   42.870  266.768   44.010  311.870   35.225  357.441   31.551 -45.57187 47.28952 
1 1 1  -13    8   32 o  100.981   28.570   15.749   15.518   6.1007   32.934   18.503   17.593  103.484   44.675   98.478   35.626 5.005287 57.14081 
1 1 1  -13    9    1 o  448.923   33.779  397.768   59.177  397.768   59.177   0.0000   0.0000  448.923   33.779  ?   ?       ?      ? 
1 1 1  -13    9    2 o  211.251   25.375   91.634   19.851  119.689   28.135   63.825   28.012  246.611   29.235  175.891   41.483 70.71916 50.75005 
1 1 1  -13    9    3 o  526.187   56.001  591.583   73.136  565.919  201.394  595.482   78.495  503.630  105.834  548.744   36.656 -45.11383 112.0021 
1 1 1  -13    9    4 o  748.373   29.170  1100.51   84.696  1013.37  112.615  1213.98  128.509  714.867   40.368  781.880   42.117 -67.01276 58.33913 
1 1 1  -13    9    5 o  848.983   27.372  1403.53   85.778  1355.90  104.649  1501.07  149.745  829.290   32.337  868.677   44.174 -39.38672 54.74473 
1 1 1  -13    9    6 o  420.532   22.004  349.456   34.050  351.621   41.797  345.184   58.711  423.156   25.311  417.908   36.000 5.248322 44.00741 
1 1 1  -13    9    7 f  1053.39   37.081  2225.80  152.369  2182.32  217.075  2268.03  213.923  1042.75   53.346  1064.03   51.520 -21.27771 74.16216 
1 1 1  -13    9    8 o  448.273   98.883  444.652  168.337   0.0000   0.0000  444.652  168.337  ?   ?   448.273   98.883      ?      ? 
1 1 1  -13    9    9 o  910.145   83.908  1910.32  133.102  1920.91  137.784  1762.46  514.964  985.612   35.823  834.678  163.947 150.9338 167.8153 
1 1 1  -13    9   10 o  328.285   23.469  213.507   26.945  214.428   31.773  211.148   50.848  330.420   24.641  326.150   39.950 4.269287 46.93829 
1 1 1  -13    9   11 o  1025.51   31.186  2089.84  119.346  2072.68  148.321  2121.37  201.004  1022.74   37.162  1028.28   50.091 -5.538818 62.37121 
1 1 1  -13    9   12 o  1056.28   32.014  2216.59  125.217  2189.61  154.113  2269.00  214.797  1050.71   37.586  1061.85   51.836 -11.14209 64.02870 
1 1 1  -13    9   13 o  549.830   25.011  586.842   48.423  571.557   56.938  626.792   92.051  538.845   27.077  560.814   42.061 -21.96863 50.02295 
1 1 1  -13    9   14 o  664.485   26.720  844.515   62.164  805.965   72.526  951.253  120.683  639.338   29.069  689.633   44.843 -50.29510 53.44089 
1 1 1  -13    9   15 o  836.408   28.887  1345.43   85.806  1280.27  101.023  1514.20  162.572  804.677   32.171  868.140   47.987 -63.46362 57.77325 
1 1 1  -13    9   16 o  162.684   39.293   45.007   20.473   44.960   21.436   45.495   69.084  147.583   37.225  177.786   69.210 -30.20259 78.58606 
1 1 1  -13    9   17 o  478.004   28.905  427.396   42.978  409.247   47.591  507.630  100.065  455.568   26.770  500.440   51.239 -44.87225 57.81011 
1 1 1  -13    9   18 o  580.573   52.012  687.301  117.841   0.0000   0.0000  687.301  117.841  ?   ?   580.573   52.012      ?      ? 
1 1 1  -13    9   19 o  532.595   31.841  564.318   66.179   0.0000   0.0000  564.318   66.179  ?   ?   532.595   31.841      ?      ? 
1 1 1  -13    9   20 f  219.993   21.460   96.458   18.341   85.074   25.627  108.411   26.260  206.456   31.808  233.529   28.815 -27.07217 42.91938 
1 1 1  -13    9   21 o  329.715   21.578  221.912   27.120  248.783   36.282  187.891   40.825  353.841   26.276  305.588   34.234 48.25293 43.15525 
1 1 1  -13    9   22 o  270.332   33.282  173.578   29.774  112.197   53.329  201.374   35.887  223.538   59.915  317.126   28.999 -93.58740 66.56345 
1 1 1  -13    9   23 o  165.692   24.954   57.432   15.575   62.556   23.404   53.359   20.867  172.213   35.984  159.171   34.584 13.04228 49.90876 
1 1 1  -13    9   24 o  400.160   20.737  321.735   32.219  310.996   43.155  335.259   48.428  393.169   28.127  407.150   30.480 -13.98068 41.47456 
1 1 1  -13    9   25 o  237.372   22.494  114.433   20.825  119.609   29.987  109.610   28.942  242.593   31.676  232.152   31.947 10.44083 44.98835 
1 1 1  -13    9   26 o  338.123   97.353  333.200  135.416   0.0000   0.0000  333.200  135.416  ?   ?   338.123   97.353      ?      ? 
1 1 1  -13    9   27 o  420.724   25.513  373.666   41.066  328.686   61.796  409.238   54.955  394.609   40.130  446.838   31.516 -52.22833 51.02557 
1 1 1  -13    9   28 o   76.884   23.503   4.0838   9.9316 -12.9287   27.968   6.5386   10.624   84.116   38.384   69.651   27.134 14.46514 47.00616 
1 1 1  -13    9   29 o  138.657   44.092   10.240   47.277   24.192   54.745 -30.6966   93.772  136.919   58.322  140.395   66.144 -3.476639 88.18372 
1 1 1  -13    9   30 o  199.817   29.668   89.862   22.042   89.030   34.750   90.422   28.512  196.359   46.132  203.275   37.318 -6.915359 59.33670 
1 1 1  -13    9   31 o  170.766   30.851   70.877   21.108   46.977   34.661   84.966   26.612  144.087   50.212  197.446   35.858 -53.35915 61.70157 
1 1 1  -13    9   32 o  586.844   26.540  740.873   58.962  727.434   74.803  762.921   95.815  586.853   32.663  586.836   41.839 0.1702881E-01 53.07933 
1 1 1  -13   10    1 o  425.714   67.445  397.965  109.264  416.104  156.611  380.763  152.515  435.598   94.821  415.831   95.939 19.76727 134.8902 
1 1 1  -13   10    2 o  206.324   47.128   84.536   43.175   94.195   63.668   76.313   58.745  215.277   67.853  197.371   65.422 17.90591 94.25578 
1 1 1  -13   10    3 o  691.760   61.044  941.030  100.802  924.644  106.381  1085.09  315.427  682.973   39.914  700.547  115.380 -17.57416 122.0887 
1 1 1  -13   10    4 o  311.425   43.195  217.518   39.756  228.308   44.108  170.791   91.786  340.184   33.225  282.665   79.745 57.51901 86.38974 
1 1 1  -13   10    5 o  807.346   30.467  1294.11   95.899  1260.95  132.212  1330.92  139.308  796.639   42.528  818.053   43.638 -21.41364 60.93369 
1 1 1  -13   10    6 o  258.419   28.465  132.624   28.669  138.296   40.198  126.753   40.901  264.179   38.991  252.658   41.483 11.52074 56.93097 
1 1 1  -13   10    7 o  315.001   41.897  277.784   31.291  300.560   33.384  113.086   89.775  391.503   21.851  238.499   80.894 153.0038 83.79353 
1 1 1  -13   10    8 o  519.215   53.830  558.209   53.426  557.070   55.458  572.903  199.151  532.292   26.698  506.138  104.297 26.15323 107.6602 
1 1 1  -13   10    9 o  648.133   24.510  812.451   57.834  781.841   69.568  880.937  104.059  630.222   28.287  666.044   40.035 -35.82233 49.02012 
1 1 1  -13   10   10 o  477.165   23.525  451.733   40.355  454.739   48.544  445.009   72.608  480.924   25.866  473.406   39.302 7.517761 47.05015 
1 1 1  -13   10   11 o  393.280   23.335  274.934   31.832  243.347   36.495  375.399   65.087  351.689   26.591  434.872   38.353 -83.18234 46.66972 
1 1 1  -13   10   12 o  745.846   26.629  1023.47   69.485  932.908   80.392  1290.95  138.161  687.719   29.955  803.972   44.037 -116.2532 53.25899 
1 1 1  -13   10   13 o  451.629   29.980  402.762   52.489  372.119   69.532  443.359   80.033  432.133   41.232  471.124   43.531 -38.99164 59.95901 
1 1 1  -13   10   14 o  835.028   28.772  1367.52   86.732  1332.33  103.899  1448.42  157.524  820.775   32.438  849.281   47.529 -28.50629 57.54378 
1 1 1  -13   10   15 o  270.085   33.179  144.462   34.970  144.462   34.970   0.0000   0.0000  270.085   33.179  ?   ?       ?      ? 
1 1 1  -13   10   16 o  305.967   39.680  180.632   30.288  176.327   32.185  213.963   89.552  298.947   27.588  312.987   74.410 -14.04010 79.35963 
1 1 1  -13   10   17 o  421.752   28.701  317.490   37.472  295.074   41.211  424.466   90.027  386.525   27.321  456.979   50.483 -70.45410 57.40202 
1 1 1  -13   10   18 o  184.824   35.022   90.214   24.041  103.681   25.305 -34.5989   77.037  228.793   28.342  140.856   64.054 87.93672 70.04431 
1 1 1  -13   10   19 o  276.448   41.057  145.280   27.372  140.820   28.786  187.361   88.425  266.425   27.687  286.471   77.306 -20.04648 82.11461 
1 1 1  -13   10   20 o  314.444   56.889  189.919   32.563  186.488   33.200  276.757  167.017  306.149   27.789  322.738  110.332 -16.58899 113.7783 
1 1 1  -13   10   21 o  268.954   51.721  170.743   49.752  174.767   55.812  155.171  109.792  284.428   52.207  253.481   89.300 30.94649 103.4414 
1 1 1  -13   10   22 o  303.158   48.130  160.862   31.787  151.647   32.928  286.957  121.805  274.360   30.755  331.957   91.215 -57.59717 96.26051 
1 1 1  -13   10   23 o  243.964   48.858  134.939   29.804  135.712   30.623  121.070  129.720  259.232   30.271  228.697   92.909 30.53435 97.71623 
1 1 1  -13   10   24 o  117.086   42.977  -7.2975   16.177  -6.0867   16.264 -120.3476  157.148   67.306   30.121  166.867   80.503 -99.56102 85.95387 
1 1 1  -13   10   25 o  438.212   29.430  404.490   47.782  395.982   80.485  409.121   59.377  429.587   48.010  446.837   34.052 -17.25015 58.86010 
1 1 1  -13   10   26 o  251.336   57.438   76.175   27.119   67.850   27.525  351.817  158.385  176.442   40.791  326.231  107.389 -149.7884 114.8753 
1 1 1  -13   10   27 o  190.125   28.623   76.376   19.921   91.056   33.591   68.412   24.741  202.361   43.806  177.890   36.851 24.47154 57.24528 
1 1 1  -13   10   28 o  166.190   40.470   68.456   28.318   76.297   29.515 -22.3748  100.458  184.646   41.919  147.734   69.239 36.91272 80.94019 
1 1 1  -13   10   29 o  293.784   35.944  189.074   33.399  220.198   71.224  180.301   37.814  294.359   63.841  293.208   33.048 1.151276 71.88804 
1 1 1  -13   10   30 o  100.008   27.327   11.961   12.180   30.289   28.849   7.9853   13.436  122.949   45.439   77.067   30.368 45.88255 54.65317 
1 1 1  -13   10   31 o  454.204   32.897  434.834   58.310  434.834   58.310   0.0000   0.0000  454.204   32.897  ?   ?       ?      ? 
1 1 1  -13   11    1 o  581.846   80.284  763.370  175.665  701.181  244.094  830.181  253.003  554.682  116.474  609.010  110.526 -54.32843 160.5686 
1 1 1  -13   11    2 o  394.903   46.915  347.497   51.409  360.638   56.659  286.289  122.285  427.392   33.971  362.414   87.464 64.97787 93.82977 
1 1 1  -13   11    3 o  391.204   46.694  365.240   51.846  396.166   58.070  243.725  115.109  448.049   33.212  334.359   87.283 113.6901 93.38870 
1 1 1  -13   11    4 o  305.914   44.202  206.537   43.178  217.398   48.949  168.450   91.664  331.320   37.858  280.508   79.887 50.81229 88.40320 
1 1 1  -13   11    5 o  189.871   39.659   73.854   29.833   76.111   35.470   68.397   55.155  191.512   47.653  188.230   63.408 3.282776 79.31822 
1 1 1  -13   11    6 o  173.707   38.688   56.743   25.936   54.169   29.515   65.469   54.341  162.380   45.014  185.034   62.936 -22.65321 77.37675 
1 1 1  -13   11    7 o  657.835   27.986  848.798   71.239  784.422   93.655  937.184  109.740  628.988   38.156  686.682   40.952 -57.69397 55.97251 
1 1 1  -13   11    8 o  561.659   40.510  627.028   88.791   0.0000   0.0000  627.028   88.791  ?   ?   561.659   40.510      ?      ? 
1 1 1  -13   11    9 f  454.136   23.873  403.412   37.938  397.983   44.557  417.722   72.340  449.939   25.377  458.333   40.445 -8.394257 47.74691 
1 1 1  -13   11   10 o  834.792   27.969  1244.73   79.871  1112.20   90.973  1690.45  166.840  750.658   31.056  918.925   46.525 -168.2676 55.93786 
1 1 1  -13   11   11 o  1069.31   32.979  2166.99  123.391  2023.26  143.371  2577.58  242.317  1010.10   36.372  1128.51   55.023 -118.4063 65.95821 
1 1 1  -13   11   12 o  440.616   25.252  357.198   37.614  332.081   42.822  442.020   78.695  410.698   26.719  470.533   42.857 -59.83578 50.50380 
1 1 1  -13   11   13 o  138.675   34.356   21.491   13.786   18.202   14.332   62.251   50.455   98.074   32.304  179.276   60.645 -81.20194 68.71279 
1 1 1  -13   11   14 o  313.727   40.773  209.167   38.153  212.352   42.479  195.878   86.774  327.419   33.246  300.036   74.462 27.38330 81.54695 
1 1 1  -13   11   15 o  515.611   28.194  511.309   47.556  495.526   53.781  567.893  101.831  501.149   27.500  530.073   49.228 -28.92416 56.38834 
1 1 1  -13   11   16 o  206.609   39.253   80.344   22.653   78.923   23.878   93.141   71.658  199.585   30.657  213.634   72.274 -14.04927 78.50679 
1 1 1  -13   11   17 o  177.246   35.876   75.765   22.146   84.167   23.169 -13.1206   75.360  206.098   28.807  148.394   65.716 57.70380 71.75280 
1 1 1  -13   11   18 o  141.176   32.158   46.653   19.230   57.056   19.862 -109.1264   76.857  166.594   31.709  115.757   55.957 50.83630 64.31667 
1 1 1  -13   11   19 o  374.153   59.057  313.690   41.272  312.413   42.383  337.090  181.431  396.441   27.396  351.864  114.894 44.57751 118.1145 
1 1 1  -13   11   20 o  357.730   61.471  336.043   65.740  346.931   70.280  259.834  185.937  410.356   43.887  305.105  114.842 105.2505 122.9418 
1 1 1  -13   11   21 o  446.707   41.367  392.101   65.283  340.504   75.729  541.384  128.811  402.413   48.223  491.001   67.226 -88.58835 82.73371 
1 1 1  -13   11   22 o  237.682   44.974  150.553   31.517  158.160   32.658   47.365  120.277  280.076   29.880  195.288   84.840 84.78844 89.94786 
1 1 1  -13   11   23 o  260.374   54.544  180.506   57.681  195.475   64.825  123.599  126.395  293.280   58.690  227.468   91.956 65.81238 109.0889 
1 1 1  -13   11   24 f  332.225   51.036  196.852   34.316  185.870   35.382  370.941  140.874  302.960   29.927  361.489   97.587 -58.52881 102.0725 
1 1 1  -13   11   25 o  212.623   48.726   94.416   27.781   94.569   28.352   90.748  139.085  214.560   33.862  210.687   91.381 3.872849 97.45277 
1 1 1  -13   11   26 o  248.338   48.402  190.059   44.395  203.775   45.595 -60.2624  194.788  311.904   37.460  184.772   89.261 127.1315 96.80316 
1 1 1  -13   11   27 o  242.865   46.847  172.601   36.828  179.820   38.056   66.069  146.191  293.898   33.181  191.833   87.623 102.0649 93.69489 
1 1 1  -13   11   28 o  255.639   46.938  180.524   37.764  184.588   40.023  147.539  114.019  295.901   34.660  215.377   87.244 80.52386 93.87634 
1 1 1  -13   11   29 o  218.769   50.231  140.578   56.695  192.125   71.445   52.911   93.173  268.940   68.026  168.598   73.926 100.3414 100.4623 
1 1 1  -13   11   30 o  167.653   42.202   68.260   30.248   72.406   32.243   37.836   87.344  176.239   46.286  159.068   70.581 17.17123 84.40420 
1 1 1  -13   11   31 o  192.024   50.766   90.489   33.961   91.364   34.388   55.966  216.041  198.067   45.454  185.980   90.789 12.08647 101.5314 
1 1 1  -13   12    1 o  403.416   93.077  359.110  143.549   0.0000   0.0000  359.110  143.549  ?   ?   403.416   93.077      ?      ? 
1 1 1  -13   12    2 o  620.431   62.798  849.554  101.205  861.808  109.919  781.332  259.359  658.023   42.806  582.840  118.076 75.18231 125.5962 
1 1 1  -13   12    3 o  457.957   70.853  468.246  123.170  434.833  173.279  502.371  175.112  439.606  102.837  476.308   97.493 -36.70200 141.7051 
1 1 1  -13   12    4 o  301.476   41.831  214.436   39.339  235.843   44.669  140.451   83.041  345.552   33.125  257.399   76.824 88.15244 83.66167 
1 1 1  -13   12    5 o  371.497   47.212  297.470   49.154  302.604   53.902  272.116  119.784  391.051   35.321  351.943   87.570 39.10825 94.42497 
1 1 1  -13   12    6 o  502.858   54.362  570.624   71.730  588.213   78.275  478.440  179.199  544.808   36.817  460.908  102.300 83.90024 108.7233 
1 1 1  -13   12    7 o  382.404   48.771  294.369   51.810  288.899   56.319  324.481  132.142  381.590   37.821  383.218   89.911 -1.628601 97.54159 
1 1 1  -13   12    8 o  370.483   67.571  305.781   97.764  325.547  148.048  290.496  130.187  379.746   98.917  361.220   92.080 18.52631 135.1420 
1 1 1  -13   12    9 o  752.028   30.934  1130.34   90.690  1181.68  127.808  1078.27  128.707  769.709   42.550  734.347   44.913 35.36145 61.86792 
1 1 1  -13   12   10 o  302.781   29.799  194.832   26.377  201.055   29.517  170.166   58.767  319.882   23.646  285.679   54.706 34.20276 59.59752 
1 1 1  -13   12   11 o  686.879   27.043  887.829   64.705  831.766   74.994  1051.11  127.986  649.264   29.599  724.494   45.269 -75.23010 54.08639 
1 1 1  -13   12   12 o  622.795   27.260  756.583   58.501  739.746   67.965  804.735  114.933  612.441   28.437  633.150   46.517 -20.70862 54.52030 
1 1 1  -13   12   13 f  410.848   34.505  334.869   55.321  334.869   55.321   0.0000   0.0000  410.848   34.505  ?   ?       ?      ? 
1 1 1  -13   12   14 o  705.233   28.993  972.384   70.402  947.354   81.714  1044.48  138.684  692.014   30.259  718.452   49.465 -26.43774 57.98577 
1 1 1  -13   12   15 o  552.500   29.189  594.684   52.719  580.080   59.704  646.374  112.319  541.636   28.246  563.365   51.090 -21.72913 58.37814 
1 1 1  -13   12   16 o  494.908   30.661  456.808   46.320  435.148   50.963  559.694  111.073  468.802   27.857  521.013   54.630 -52.21115 61.32214 
1 1 1  -13   12   17 o  609.125   33.011  601.898   54.944  548.295   58.454  1008.50  160.992  525.485   28.505  692.765   59.551 -167.2799 66.02118 
1 1 1  -13   12   18 o  744.867   31.585  1109.54   91.810  1109.54   91.810   0.0000   0.0000  744.867   31.585  ?   ?       ?      ? 
1 1 1  -13   12   19 o  193.588   54.100   62.820   44.692   62.934   47.465   61.924  132.707  173.948   58.821  213.228   90.814 -39.28015 108.1996 
1 1 1  -13   12   20 o  336.116   47.557  265.368   38.327  268.158   40.597  242.497  116.230  365.877   28.434  306.354   90.765 59.52237 95.11460 
1 1 1  -13   12   21 o  333.900   48.048  228.043   36.381  221.220   38.078  299.513  123.240  331.467   29.438  336.334   91.476 -4.867188 96.09578 
1 1 1  -13   12   22 o  419.223   51.173  398.524   72.136  377.061   84.069  458.443  140.467  418.074   51.529  420.372   88.428 -2.298309 102.3465 
1 1 1  -13   12   23 o  169.947   48.879   12.595   16.918   9.0571   17.100  175.938  116.199   86.142   34.160  253.752   91.594 -167.6101 97.75704 
1 1 1  -13   12   24 o  139.539   46.296  -1.1671   15.985  -2.9452   16.132   95.531  118.965   69.942   30.712  209.136   87.350 -139.1934 92.59182 
1 1 1  -13   12   25 o  175.232   49.452   39.922   21.810   37.319   22.142  124.841  126.458  131.890   39.739  218.574   90.570 -86.68407 98.90467 
1 1 1  -13   12   26 o  150.375   47.986   22.875   22.195   21.900   22.469   62.136  142.560  108.984   40.133  191.765   87.178 -82.78091 95.97238 
1 1 1  -13   12   27 o  404.290   43.119  388.556   48.179  386.459   53.105  398.314  114.549  431.236   31.556  377.345   80.258 53.89090 86.23882 
1 1 1  -13   12   28 o  298.524   41.741  275.002   41.872  324.656   48.026  117.651   85.493  394.885   31.165  202.162   77.447 192.7239 83.48276 
1 1 1  -13   12   29 o  193.549   39.401  102.841   31.856  114.956   34.588   35.133   81.770  230.986   38.372  156.114   68.828 74.87195 78.80150 
1 1 1  -13   12   30 o  237.849   53.100  156.318   43.401  154.515   44.756  184.740  177.705  263.299   43.558  212.399   96.857 50.90002 106.2009 
1 1 1  -13   13    1 o  474.643   52.304  499.052   69.822  514.067   77.336  432.854  162.387  508.811   38.949  440.476   97.086 68.33499 104.6071 
1 1 1  -13   13    2 o  672.414   64.696  947.961  105.185  939.543  112.171  1009.30  302.785  686.920   41.845  657.908  122.439 29.01147 129.3925 
1 1 1  -13   13    3 o  684.825   64.005  1026.89  110.524  1034.62  119.228  979.654  294.673  720.594   42.399  649.055  120.784 71.53894 128.0099 
1 1 1  -13   13    4 o  527.853   54.972  632.469   77.747  655.091   85.405  523.028  187.850  574.492   38.095  481.214  103.133 93.27875 109.9440 
1 1 1  -13   13    5 f  420.126   51.054  332.931   58.976  316.345   63.691  432.672  156.186  398.650   40.941  441.602   93.541 -42.95230 102.1086 
1 1 1  -13   13    6 o  286.838   44.504  178.507   42.681  185.780   48.742  154.598   88.375  305.465   40.889  268.211   79.060 37.25473 89.00803 
1 1 1  -13   13    7 o  409.724   51.154  385.209   60.055  404.200   66.762  304.680  137.478  451.140   37.921  368.308   95.021 82.83270 102.3083 
1 1 1  -13   13    8 o  582.154   61.039  676.244   86.599  659.395   92.080  805.278  254.819  575.267   41.017  589.040  114.981 -13.77258 122.0783 
1 1 1  -13   13    9 o  408.861   51.231  347.425   59.844  344.286   65.695  362.727  145.052  415.703   40.497  402.018   94.119 13.68539 102.4616 
1 1 1  -13   13   10 o  407.182   53.162  384.691   61.325  402.559   67.711  303.156  144.643  449.814   38.574  364.550   99.081 85.26385 106.3248 
1 1 1  -13   13   11 o  530.794   43.125  563.847   89.328  563.847   89.328   0.0000   0.0000  530.794   43.125  ?   ?       ?      ? 
1 1 1  -13   13   12 o  652.414   49.343  860.083  125.627   0.0000   0.0000  860.083  125.627  ?   ?   652.414   49.343      ?      ? 
1 1 1  -13   13   13 o  289.077   37.965  174.161   28.753  174.479   30.933  172.141   77.984  297.367   26.656  280.786   71.098 16.58096 75.93092 
1 1 1  -13   13   14 o  259.414   34.824   86.984   20.135   77.250   20.849  221.930   77.629  197.714   27.022  321.114   64.193 -123.3997 69.64874 
1 1 1  -13   13   17 o  254.951   56.199  147.035   53.127  149.728   57.992  132.975  132.518  261.515   58.311  248.387   96.089 13.12781 112.3975 
1 1 1  -13   13   18 o  545.142   62.061  644.853  132.027   0.0000   0.0000  644.853  132.027  ?   ?   545.142   62.061      ?      ? 
1 1 1  -13   13   19 o  318.705  104.768  285.222  150.769   0.0000   0.0000  285.222  150.769  ?   ?   318.705  104.768      ?      ? 
1 1 1  -13   13   20 f  267.352   47.849  104.672   26.664   95.832   27.388  265.299  116.747  217.497   32.268  317.207   90.094 -99.71051 95.69785 
1 1 1  -13   13   21 o  230.459   46.015  130.111   28.280  133.454   29.039   68.681  124.476  257.298   28.921  203.620   87.367 53.67746 92.02977 
1 1 1  -13   13   22 o  347.822   49.869  257.093   39.305  249.930   41.172  330.735  132.012  351.391   30.025  344.253   95.111 7.137390 99.73751 
1 1 1  -13   13   23 o  159.108   45.137   38.676   20.788   38.970   21.114   29.369  118.812  134.997   38.304  183.219   81.745 -48.22227 90.27419 
1 1 1  -13   13   24 o  208.837   46.140  101.135   28.417  103.386   29.115   55.819  130.633  224.162   33.282  193.512   86.069 30.65015 92.28005 
1 1 1  -13   13   25 o  168.704   39.805   73.721   29.159   85.434   29.920 -147.9527  130.165  197.546   40.179  139.861   68.727 57.68529 79.61008 
1 1 1  -13   13   26 o  131.375   37.241   33.137   22.534   40.633   23.030 -135.2542  109.151  135.673   40.450  127.077   62.541 8.596260 74.48206 
1 1 1  -13   13   27 o  194.407   42.756   84.452   28.083   80.414   30.102  111.558   77.993  189.015   41.909  199.798   74.539 -10.78299 85.51285 
1 1 1  -13   13   28 f  261.878   43.329  188.983   37.437  199.356   41.366  142.013   88.020  307.075   34.519  216.681   79.487 90.39401 86.65875 
1 1 1  -13   13   29 f  236.728   52.575  145.026   37.314  142.840   38.153  193.139  178.968  257.282   38.000  216.174   98.044 41.10855 105.1509 
1 1 1  -13   13   30 o  224.465   49.794  149.814   42.456  153.120   43.506   83.821  194.393  261.953   42.559  186.978   90.036 74.97533 99.58790 
1 1 1  -13   14    1 o  300.736   45.367  188.089   48.957  187.154   58.762  190.212   88.521  305.158   49.345  296.314   76.143 8.844086 90.73379 
1 1 1  -13   14    2 o  308.952   54.598  174.193   58.584  138.344   66.976  290.953  120.874  254.712   66.621  363.193   86.518 -108.4809 109.1958 
1 1 1  -13   14    3 o  649.032   62.981  881.523  104.132  871.371  111.969  946.522  283.319  660.559   43.437  637.505  118.237 23.05396 125.9629 
1 1 1  -13   14    4 o  286.775   48.244  163.043   47.306  150.444   54.231  203.143   96.749  268.525   53.630  305.024   80.211 -36.49924 96.48835 
1 1 1  -13   14    5 o  162.010   38.637   46.927   30.702   73.991   42.966   18.691   43.887  189.015   54.958  135.005   54.323 54.01012 77.27464 
1 1 1  -13   14    6 o  251.316   54.210  122.691   57.853  189.409   94.803   83.105   73.026  294.513   80.285  208.119   72.863 86.39346 108.4193 
1 1 1  -13   14    7 o  294.227   45.510  177.628   46.658  173.476   54.444  189.112   90.542  293.882   47.472  294.572   77.660 -0.6897278 91.02028 
1 1 1  -13   14    8 o  485.904   48.454  401.761   67.644  364.949   72.742  637.127  183.931  427.060   43.648  544.748   86.522 -117.6880 96.90846 
1 1 1  -13   14    9 o  379.960   42.980  288.928   63.729  288.928   63.729   0.0000   0.0000  379.960   42.980  ?   ?       ?      ? 
1 1 1  -13   14   10 o  360.814  108.779  307.021  165.871  307.021  165.871   0.0000   0.0000  360.814  108.779  ?   ?       ?      ? 
1 1 1  -13   14   11 o  284.483   46.708  197.447   51.575  245.113   61.937   89.651   93.142  348.851   45.496  220.114   81.588 128.7370 93.41547 
1 1 1  -13   14   12 o  380.146   82.959  375.451  140.036  254.949  241.707  436.335  171.808  331.952  129.393  428.339  103.858 -96.38641 165.9190 
1 1 1  -13   14   13 o  469.994   27.679  437.193   50.766  437.193   50.766   0.0000   0.0000  469.994   27.679  ?   ?       ?      ? 
1 1 1  -13   14   15 o  412.279   56.477  358.855   44.713  354.710   46.225  419.131  176.270  422.486   28.037  402.073  109.419 20.41290 112.9544 
1 1 1  -13   14   16 o  286.963   50.038  230.063   60.826  285.360   68.791   31.882  130.230  371.500   47.450  202.426   88.111 169.0748 100.0753 
1 1 1  -13   14   17 f  326.590   50.225  281.877   60.904  341.746   73.076  145.713  110.206  405.730   46.154  247.449   89.220 158.2801 100.4505 
1 1 1  -13   14   18 o  214.803   43.964  103.216   25.351  105.381   26.112   67.687  105.793  229.125   29.204  200.481   82.938 28.64478 87.92892 
1 1 1  -13   14   19 o  228.945   46.387  109.800   27.033  109.256   27.883  118.339  110.367  232.595   30.719  225.295   87.541 7.299759 92.77468 
1 1 1  -13   14   20 o  166.816   46.502   34.895   17.695   33.685   17.908   84.669  114.837  126.343   35.077  207.288   86.135 -80.94479 93.00373 
1 1 1  -13   14   21 o  151.266   37.798   50.493   21.919   57.317   22.417 -98.0402  104.580  164.155   35.985  138.377   66.482 25.77817 75.59637 
1 1 1  -13   14   22 o  272.284   55.235  191.454   61.362  194.382   79.554  187.152   96.412  279.841   72.325  264.726   83.504 15.11533 110.4709 
1 1 1  -13   14   23 o  167.558   44.715   44.708   22.152   42.766   22.739   80.894   98.170  140.562   39.704  194.554   80.132 -53.99173 89.42908 
1 1 1  -13   14   24 o  220.113   45.674  131.322   34.706  138.224   35.877   30.709  136.981  257.160   35.750  183.067   84.063 74.09279 91.34890 
1 1 1  -13   14   25 o  209.419   48.249   97.329   29.437   95.365   30.307  130.069  123.737  209.002   38.580  209.835   88.450 -0.8336792 96.49739 
1 1 1  -13   14   26 o  346.841   45.826  341.866   46.606  370.614   52.381  232.636  102.104  421.567   31.840  272.114   85.944 149.4529 91.65276 
1 1 1  -13   14   27 o  272.621   42.013  242.482   42.097  279.874   46.586   76.035   98.289  365.380   32.672  179.861   77.414 185.5184 84.02660 
1 1 1  -13   14   28 o  166.441   56.139 -15.1082   76.869 -56.8634   86.028  150.246  171.196  126.298   60.577  206.585   94.535 -80.28696 112.2787 
1 1 1  -13   14   29 o  215.138   47.509  131.421   35.275  134.746   35.863   32.601  195.507  250.038   36.755  180.238   87.622 69.79953 95.01893 
1 1 1  -13   15    1 o  246.484   45.341  133.590   44.799  160.569   58.323   94.764   69.966  276.769   55.924  216.199   71.385 60.57024 90.68214 
1 1 1  -13   15    2 o  383.773   66.355  331.164   98.497  341.866  142.090  321.264  136.662  389.536   94.449  378.010   93.226 11.52652 132.7095 
1 1 1  -13   15    3 f  267.563   46.705  159.520   48.078  181.377   60.251  121.206   79.772  295.016   54.336  240.110   75.980 54.90569 93.41002 
1 1 1  -13   15    4 o  284.436   43.323  184.559   46.528  228.710   58.853  110.968   75.981  337.896   44.633  230.976   74.266 106.9201 86.64619 
1 1 1  -13   15    5 o  368.859   48.939  274.132   70.444  274.132   70.444   0.0000   0.0000  368.859   48.939  ?   ?       ?      ? 
1 1 1  -13   15    6 o  713.626   71.058  1055.34  119.030  1031.58  126.128  1248.76  359.891  717.013   45.077  710.239  134.778 6.774536 142.1165 
1 1 1  -13   15    7 f  358.988   47.653  259.690   66.758  259.690   66.758   0.0000   0.0000  358.988   47.653  ?   ?       ?      ? 
1 1 1  -13   15    8 o  322.828   66.222  230.150   87.360  285.222  137.723  193.073  113.003  351.738   97.133  293.918   90.037 57.81949 132.4442 
1 1 1  -13   15    9 o  497.693   83.036  609.115  159.492  526.193  228.189  688.317  223.012  456.731  124.579  538.655  109.817 -81.92316 166.0714 
1 1 1  -13   15   10 o  614.762   44.611  762.497  107.024  762.497  107.024   0.0000   0.0000  614.762   44.611  ?   ?       ?      ? 
1 1 1  -13   15   11 o  357.793   51.126  335.280   66.548  430.751   80.985  136.761  116.780  461.244   44.993  254.342   91.821 206.9019 102.2516 
1 1 1  -13   15   12 o  1043.23   54.228  2251.38  220.766  2251.38  220.766   0.0000   0.0000  1043.23   54.228  ?   ?       ?      ? 
1 1 1  -13   15   13 o  527.524   45.866  568.800   94.421  568.800   94.421   0.0000   0.0000  527.524   45.866  ?   ?       ?      ? 
1 1 1  -13   15   14 o  356.152   58.236  317.515   70.611  337.933   79.923  244.893  150.727  403.297   50.783  309.006  104.818 94.29095 116.4717 
1 1 1  -13   15   15 o  295.449   55.194  223.847   64.401  251.531   73.684  134.274  132.539  344.802   54.761  246.097   95.847 98.70427 110.3877 
1 1 1  -13   15   16 o  383.600   64.143  375.223   79.386  379.814   87.675  354.334  187.040  422.829   53.135  344.371  116.764 78.45798 128.2852 
1 1 1  -13   15   17 o  253.840   48.378  176.398   32.176  182.999   32.872   25.594  157.124  302.186   27.875  205.495   92.654 96.69107 96.75674 
1 1 1  -13   15   18 o  228.488   49.319   74.009   22.857   68.834   23.303  205.381  117.411  181.222   34.205  275.755   92.516 -94.53355 98.63699 
1 1 1  -13   15   19 o  298.720   50.204  165.203   30.844  158.063   31.761  283.519  129.289  279.913   29.076  317.528   96.106 -37.61441 100.4085 
1 1 1  -13   15   20 o  322.984   46.929  239.807   38.056  238.672   40.470  248.477  111.852  343.268   30.211  302.700   88.863 40.56729 93.85793 
1 1 1  -13   15   21 f  216.043   43.888   78.176   24.353   71.144   25.354  162.044   87.556  182.694   36.834  249.392   79.674 -66.69827 87.77617 
1 1 1  -13   15   22 o  305.572   77.748  243.296   92.938   0.0000   0.0000  243.296   92.938  ?   ?   305.572   77.748      ?      ? 
1 1 1  -13   15   23 f  125.849   40.820   9.4714   16.371   8.8999   16.607   29.224   97.628   84.424   33.605  167.274   74.402 -82.85014 81.63917 
1 1 1  -13   15   24 o  196.941   39.917  109.969   30.030  120.250   31.132 -27.6623  113.906  240.091   33.227  153.791   72.590 86.30032 79.83324 
1 1 1  -13   15   25 o  163.332   46.148   45.405   22.755   44.348   23.149   75.665  123.863  140.986   40.144  185.678   83.107 -44.69133 92.29530 
1 1 1  -13   15   26 o  191.024   42.416   97.601   30.462  103.336   31.783   32.895  106.752  216.557   39.045  165.491   75.313 51.06598 84.83285 
1 1 1  -13   15   27 o  273.143   54.240  222.039   43.165  221.725   44.146  228.880  205.961  323.189   35.003  223.096  102.678 100.0926 108.4803 
1 1 1  -13   15   28 o  160.292   49.843  -1.5234   73.929  127.194   93.436 -216.9984  120.891  201.872   79.914  118.711   59.590 83.16049 99.68536 
1 1 1  -13   16    1 o  164.436   43.735   43.205   38.599   25.241   59.027   56.625   51.018  155.064   62.786  173.808   60.899 -18.74445 87.46909 
1 1 1  -13   16    2 o  461.084   73.707  493.793  129.468  513.792  186.247  475.092  180.098  470.379  104.207  451.788  104.268 18.59091 147.4140 
1 1 1  -13   16    3 o  160.053   59.117   43.236   48.816   43.236   48.816   0.0000   0.0000  160.053   59.117  ?   ?       ?      ? 
1 1 1  -13   16    4 o  625.561   50.220  792.711  122.596  792.711  122.596   0.0000   0.0000  625.561   50.220  ?   ?       ?      ? 
1 1 1  -13   16    5 o  299.638   64.557  192.707   73.260  192.707   73.260   0.0000   0.0000  299.638   64.557  ?   ?       ?      ? 
1 1 1  -13   16    6 o  148.867   44.060   15.017   42.428 -26.5210   76.719   33.318   50.924  144.661   65.029  153.072   59.468 -8.410248 88.12056 
1 1 1  -13   16    7 o  274.892   63.957  165.934   77.837  176.090  126.623  159.765   98.683  281.340   96.069  268.444   84.456 12.89636 127.9144 
1 1 1  -13   16    8 o  435.574   56.949  423.608   81.097  428.990   93.729  407.582  161.748  457.642   52.483  413.507  101.085 44.13556 113.8973 
1 1 1  -13   16    9 o  290.815   54.748  197.100   62.712  218.339   77.404  156.526  106.985  317.161   64.730  264.469   88.315 52.69232 109.4966 
1 1 1  -13   16   10 o  705.213   46.768  1014.79  128.707  1014.79  128.707   0.0000   0.0000  705.213   46.768  ?   ?       ?      ? 
1 1 1  -13   16   11 o  581.801   46.497  692.962  105.568  692.962  105.568   0.0000   0.0000  581.801   46.497  ?   ?       ?      ? 
1 1 1  -13   16   12 o  546.439  135.872  871.335  288.511   0.0000   0.0000  871.335  288.511  ?   ?   546.439  135.872      ?      ? 
1 1 1  -13   16   13 o  363.731  108.223  356.762  164.982   0.0000   0.0000  356.762  164.982  ?   ?   363.731  108.223      ?      ? 
1 1 1  -13   16   14 o  397.397   60.417  431.451   80.636  475.930   92.106  285.478  166.855  476.446   49.538  318.348  110.213 158.0977 120.8341 
1 1 1  -13   16   15 o  274.538   52.405  170.143   33.255  170.202   34.162  169.062  145.297  290.981   30.085  258.094  100.400 32.88724 104.8105 
1 1 1  -13   16   16 o  156.561   43.635   39.931   17.706   41.506   17.861 -50.0996  135.045  140.402   33.132  172.720   80.735 -32.31787 87.26936 
1 1 1  -13   16   17 o  466.655   53.770  472.636   97.919  472.636   97.919   0.0000   0.0000  466.655   53.770  ?   ?       ?      ? 
1 1 1  -13   16   18 o  232.736   50.796  127.924   30.099  130.426   30.535   42.180  178.760  253.687   30.844  211.786   96.797 41.90062 101.5928 
1 1 1  -13   16   19 o  210.141   51.210   88.422   26.270   89.459   26.538   37.932  185.184  209.502   32.460  210.779   97.140 -1.277420 102.4197 
1 1 1  -13   16   20 o  288.132   57.304  227.675   40.727  230.251   41.356  144.912  234.440  336.048   31.536  240.215  110.183 95.83264 114.6071 
1 1 1  -13   16   21 o  161.802   53.115   28.014   20.500   28.234   20.582   0.6915  229.406  117.357   38.716  206.246   98.923 -88.88844 106.2292 
1 1 1  -13   16   22 o  102.102   35.781   20.107   17.612   20.107   17.612   0.0000   0.0000  102.102   35.781  ?   ?       ?      ? 
1 1 1  -13   16   23 o  150.135   44.565   30.717   19.852   29.657   20.167   63.826  112.694  118.283   38.286  181.988   80.489 -63.70428 89.13071 
1 1 1  -13   16   24 o  202.074   50.921   55.789   23.156   49.292   23.583  230.586  122.321  148.476   39.863  255.673   93.717 -107.1970 101.8425 
1 1 1  -13   16   25 o  277.299   57.251  116.475   29.915  105.152   30.430  442.426  163.269  222.846   34.992  331.752  109.023 -108.9065 114.5014 
1 1 1  -13   16   26 o  283.691   53.579  265.974   45.267  268.766   45.948  173.851  263.961  357.528   32.932  209.853  101.972 147.6749 107.1579 
1 1 1  -13   16   27 o  199.440   59.091  126.148   76.596  128.910   94.714  120.927  130.219  202.922   80.417  195.959   86.602 6.963684 118.1814 
1 1 1  -13   17    1 o  454.326  108.913  499.919  190.591  499.919  190.591   0.0000   0.0000  454.326  108.913  ?   ?       ?      ? 
1 1 1  -13   17    2 f  681.533  148.587  1274.27  384.039  1274.27  384.039   0.0000   0.0000  681.533  148.587  ?   ?       ?      ? 
1 1 1  -13   17    3 o  272.185   58.649  164.678   67.481  154.016   89.638  178.624  102.520  263.248   80.101  281.123   85.691 -17.87457 117.2990 
1 1 1  -13   17    4 o  129.023   40.273 -15.9494   30.999   29.446   72.437 -26.1267   34.298  168.148   68.995   89.898   41.562 78.24987 80.54596 
1 1 1  -13   17    5 f  365.473   72.428  325.639  107.471  306.959  160.989  340.656  144.344  352.803  107.346  378.144   97.263 -25.34042 144.8561 
1 1 1  -13   17    6 o  272.019   57.052  169.329   65.312  187.004   86.414  145.782   99.742  288.131   75.824  255.908   85.267 32.22258 114.1044 
1 1 1  -13   17    7 f  410.941   58.823  386.563   84.633  392.804  100.905  371.757  155.423  432.687   59.759  389.194  101.338 43.49344 117.6458 
1 1 1  -13   17    8 o  569.471   64.812  812.446  112.766  873.899  130.345  629.601  224.836  650.309   51.362  488.634  119.014 161.6751 129.6239 
1 1 1  -13   17    9 o  805.839   52.425  1350.48  164.862  1350.48  164.862   0.0000   0.0000  805.839   52.425  ?   ?       ?      ? 
1 1 1  -13   17   10 o  205.729   55.893   77.803   64.011   49.810   90.197  106.207   90.856  188.552   77.135  222.906   80.911 -34.35378 111.7868 
1 1 1  -13   17   11 o  222.928   53.704   99.902   61.876  177.102   87.930   24.172   87.088  273.620   78.352  172.237   73.467 101.3825 107.4077 
1 1 1  -13   17   12 o  234.188   55.676  129.321   63.851  169.709   82.032   67.235  101.706  267.639   75.347  200.736   81.989 66.90312 111.3530 
1 1 1  -13   17   13 o  273.399   63.420  181.193   73.568  162.961   88.014  223.468  134.020  258.572   79.502  288.226   98.832 -29.65472 126.8401 
1 1 1  -13   17   14 o  256.139   58.189  171.156   74.152  232.741   92.595   61.046  123.813  308.873   77.070  203.406   87.201 105.4671 116.3778 
1 1 1  -13   17   15 f  198.161   58.820   48.677   71.877   10.609   86.251  135.205  130.035  160.861   70.816  235.462   93.937 -74.60170 117.6394 
1 1 1  -13   17   16 o  395.216   66.949  473.961   95.891  508.543  107.667  341.315  210.868  479.789   57.505  310.643  120.921 169.1455 133.8979 
1 1 1  -13   17   17 o  282.143   57.983  171.708   33.878  169.320   34.440  243.046  188.227  289.065   30.531  275.221  111.875 13.84436 115.9666 
1 1 1  -13   17   18 o  177.197   55.712   27.528   15.966   26.685   16.020  151.083  193.997  113.184   33.734  241.209  106.196 -128.0247 111.4249 
1 1 1  -13   17   19 o  223.690   56.055   95.185   27.543   94.779   27.751  121.954  225.346  214.993   33.077  232.387  107.119 -17.39401 112.1094 
1 1 1  -13   17   21 o  331.543   31.669  226.943   40.974  226.943   40.974   0.0000   0.0000  331.543   31.669  ?   ?       ?      ? 
1 1 1  -13   17   22 o  201.865   48.992   94.987   26.973   96.742   27.148 -39.3591  237.525  215.613   32.265  188.117   92.520 27.49597 97.98457 
1 1 1  -13   17   23 o  142.615   51.675   9.6586   15.497   9.2852   15.530   97.354  237.997   82.622   32.620  202.608   98.067 -119.9856 103.3504 
1 1 1  -13   17   24 o  141.063   49.510   16.923   17.874   17.322   17.912 -76.0963  273.716   97.327   35.834  184.799   92.308 -87.47178 99.01940 
1 1 1  -13   17   25 o  279.830   33.108  164.789   36.155  164.789   36.155   0.0000   0.0000  279.830   33.108  ?   ?       ?      ? 
1 1 1  -13   17   26 o  225.363   58.970  191.259   84.208  231.942   91.303 -40.3958  217.872  275.681   80.103  175.045   86.565 100.6361 117.9404 
1 1 1  -13   18    1 o  658.597  156.257  1317.74  395.548  1317.74  395.548   0.0000   0.0000  658.597  156.257  ?   ?       ?      ? 
1 1 1  -13   18    2 o  325.880   91.781  254.558  121.691   0.0000   0.0000  254.558  121.691  ?   ?   325.880   91.781      ?      ? 
1 1 1  -13   18    3 o  137.092   42.590 -15.4618   36.475   37.160   78.725 -29.8452   41.159  175.727   71.995   98.457   45.522 77.26981 85.17987 
1 1 1  -13   18    4 o  696.049   70.287  1053.52  190.917  1053.52  190.917   0.0000   0.0000  696.049   70.287  ?   ?       ?      ? 
1 1 1  -13   18    5 o  211.488   53.135   81.659   54.237  139.615   90.865   49.580   67.601  247.690   81.330  175.285   68.401 72.40509 106.2696 
1 1 1  -13   18    6 o  281.435   58.993  185.866   71.211  237.856  101.892  136.224   99.564  317.809   81.704  245.060   85.119 72.74931 117.9865 
1 1 1  -13   18    7 o  232.517   61.984  101.661   70.813  166.413  132.267   75.644   83.840  264.857   97.397  200.176   76.693 64.68108 123.9674 
1 1 1  -13   18    8 o  592.623   76.914  907.019  143.189  908.250  163.636  902.997  295.825  645.321   64.979  539.925  139.430 105.3956 153.8279 
1 1 1  -13   18    9 o  370.205   63.339  326.689   86.721  294.118  106.217  391.805  150.185  351.836   79.263  388.574   98.817 -36.73755 126.6786 
1 1 1  -13   18   10 o  136.964   44.483 -30.4699   52.343 -37.3844   87.257 -26.5832   65.420  145.187   66.825  128.741   58.731 16.44600 88.96574 
1 1 1  -13   18   11 o  204.528   54.735   79.978   63.147  136.852   90.360   25.689   88.283  238.113   81.155  170.943   73.468 67.16986 109.4706 
1 1 1  -13   18   12 o  370.264   60.218  377.272   88.189  457.790  110.194  233.819  147.084  453.724   62.235  286.805  103.110 166.9196 120.4358 
1 1 1  -13   18   13 o  225.325   60.382  122.068   74.207  144.848   94.508   85.442  119.836  240.218   82.958  210.433   87.761 29.78516 120.7649 
1 1 1  -13   18   14 o  253.178   60.952  172.627   79.333  229.210   99.800   75.494  130.758  298.125   82.820  208.230   89.451 89.89549 121.9036 
1 1 1  -13   18   15 o  211.093   60.125   95.842   80.178  139.537   99.859   16.570  134.503  233.951   84.839  188.236   85.220 45.71535 120.2504 
1 1 1  -13   18   16 o  281.937  128.873  327.259  316.966  327.259  316.966   0.0000   0.0000  281.937  128.873  ?   ?       ?      ? 
1 1 1  -13   18   17 o  199.951   62.439   61.966   79.848   58.524   88.275   77.453  187.264  181.797   75.529  218.104   99.447 -36.30664 124.8773 
1 1 1  -13   18   18 o  244.836   56.116  137.930   34.623  138.129   35.039  129.718  225.321  258.590   34.722  231.082  106.726 27.50830 112.2319 
1 1 1  -13   18   19 o  300.926   31.877  186.373   37.434  186.373   37.434   0.0000   0.0000  300.926   31.877  ?   ?       ?      ? 
1 1 1  -13   18   20 f  384.808   60.289  555.303   62.514  566.168   63.957  322.630  295.957  523.446   31.310  246.170  116.442 277.2760 120.5785 
1 1 1  -13   18   21 o  145.943   55.614  -6.9533   11.462  -7.7056   11.477  269.829  220.153   52.836   24.288  239.051  108.544 -186.2154 111.2281 
1 1 1  -13   18   22 o  174.723   49.921   56.062   22.913   56.407   23.037   24.198  221.498  159.646   37.598  189.800   92.493 -30.15352 99.84277 
1 1 1  -13   18   23 o  218.367   50.220  121.832   29.904  123.003   30.124   42.506  247.942  242.645   31.813  194.088   95.268 48.55757 100.4398 
1 1 1  -13   18   24 o  265.013   53.336  211.902   38.932  212.524   39.412  186.857  250.088  318.691   31.691  211.335  101.855 107.3563 106.6712 
1 1 1  -13   18   25 o  162.558   54.282   22.846   77.222   36.069   83.657 -53.3174  200.780  155.220   68.965  169.896   83.845 -14.67548 108.5640 
1 1 1  -13   19    1 o  184.296   51.599   54.927   54.174   67.943   85.652   46.248   69.941  195.482   76.788  173.110   68.946 22.37248 103.1989 
1 1 1  -13   19    2 o  146.193   44.819   4.9369   42.384   23.733   81.494  -2.0325   49.624  168.038   71.357  124.347   54.251 43.69139 89.63835 
1 1 1  -13   19    3 f  296.281   68.520  221.792   89.574  237.471  145.322  212.185  113.752  300.661  102.917  291.901   90.487 8.760223 137.0394 
1 1 1  -13   19    4 o  247.279   83.922  144.708   96.621   0.0000   0.0000  144.708   96.621  ?   ?   247.279   83.922      ?      ? 
1 1 1  -13   19    5 o  369.411   77.921  375.729  119.438  425.116  186.197  341.199  155.690  384.682  115.088  354.139  105.077 30.54285 155.8412 
1 1 1  -13   19    6 o  435.261   65.206  483.458  106.125  516.721  134.964  429.577  171.775  476.926   72.516  393.596  108.391 83.33008 130.4116 
1 1 1  -13   19    7 o  356.873   68.193  329.729   95.251  306.817  121.050  366.982  154.352  348.130   88.815  365.616  103.505 -17.48633 136.3869 
1 1 1  -13   19    8 o  249.770   58.041  140.473   69.495  234.943  105.597   68.294   92.302  304.720   85.383  194.820   78.643 109.8992 116.0818 
1 1 1  -13   19    9 o  395.652   70.664  410.835  102.078  384.966  120.987  474.741  190.160  396.426   80.945  394.877  115.851 1.548676 141.3273 
1 1 1  -13   19   10 o  229.247   58.618  114.304   73.968  203.626  105.431   27.719  103.802  279.148   87.210  179.345   78.349 99.80347 117.2356 
1 1 1  -13   19   11 o  183.359   55.186   41.072   69.279   77.644  104.192   12.089   92.753  201.198   82.674  165.520   73.123 35.67728 110.3718 
1 1 1  -13   19   12 o  279.546   57.462  204.300   78.834  324.415  106.669   59.729  117.025  362.217   77.786  196.875   84.599 165.3415 114.9246 
1 1 1  -13   19   13 o  188.676   56.871   53.397   72.647   44.740   94.508   65.902  113.579  179.866   76.622  197.486   84.060 -17.62065 113.7415 
1 1 1  -13   19   14 o  198.177   57.304   72.753   75.784  126.546   95.324 -19.6480  124.934  224.594   82.669  171.759   79.378 52.83514 114.6083 
1 1 1  -13   19   15 o  457.157   75.971  659.971  115.689  667.391  127.646  625.835  273.773  542.518   60.292  371.795  139.467 170.7231 151.9416 
1 1 1  -13   19   16 o  241.405   78.164  167.491  165.468  123.508  282.218  190.531  204.260  236.189  112.297  246.621  108.754 -10.43242 156.3270 
1 1 1  -13   19   17 f  204.911  101.546 -105.7907  305.642 -105.7907  305.642   0.0000   0.0000  204.911  101.546  ?   ?       ?      ? 
1 1 1  -13   19   18 o  199.780   60.522   97.629   82.082  121.772   89.516 -29.8760  205.717  211.273   79.651  188.287   91.145 22.98584 121.0442 
1 1 1  -13   19   19 o  247.431   55.980  141.953   31.395  139.983   31.715  238.084  221.544  259.971   31.261  234.891  107.508 25.07999 111.9610 
1 1 1  -13   19   20 o  346.039   57.030  433.211   54.898  440.269   56.137  278.576  262.754  460.199   31.259  231.878  109.693 228.3210 114.0598 
1 1 1  -13   19   21 o  177.650   48.514   63.227   22.840   64.071   22.961 -15.8868  222.405  171.309   35.513  183.991   90.296 -12.68227 97.02812 
1 1 1  -13   19   22 o  237.463   49.954  165.852   36.412  168.972   36.815   25.548  246.879  283.447   33.282  191.479   94.202 91.96773 99.90885 
1 1 1  -13   19   23 o  169.822   54.107   54.122   55.212   58.847   57.215  -9.8445  210.512  159.879   62.774  179.764   88.146 -19.88545 108.2139 
1 1 1  -13   19   24 o  142.770   49.333 -11.6178   54.063  -6.8172   56.196 -71.2650  198.085  119.178   54.394  166.363   82.319 -47.18478 98.66644 
1 1 1  -13   20    1 o  294.515   95.717  232.490  125.977   0.0000   0.0000  232.490  125.977  ?   ?   294.515   95.717      ?      ? 
1 1 1  -13   20    2 o  211.635   56.960   57.335   65.904  195.977  116.734  -7.5289   79.845  273.723   92.247  149.548   66.846 124.1751 113.9205 
1 1 1  -13   20    3 o  368.450   81.994  414.449  130.704  427.899  203.253  404.966  170.673  364.356  121.728  372.544  109.884 -8.187561 163.9888 
1 1 1  -13   20    4 o  284.664   71.576  215.581   95.566  270.180  166.439  188.728  116.725  301.385  109.493  267.944   92.214 33.44122 143.1513 
1 1 1  -13   20    5 o  156.219   51.604 -61.9569   52.394   83.055  135.681 -87.3706   56.800  215.778   91.862   96.659   47.046 119.1188 103.2079 
1 1 1  -13   20    6 o  168.891   52.507  -1.2632   63.399   75.091  110.947 -38.2846   77.255  203.464   84.615  134.317   62.195 69.14763 105.0139 
1 1 1  -13   20    7 f  142.584   47.352 -46.1121   61.700 -62.6493  113.388 -39.1556   73.541  154.896   72.902  130.272   60.449 24.62370 94.70345 
1 1 1  -13   20    8 o  154.094   49.556 -10.2781   62.100 -41.1097  112.361   3.2817   74.515  159.791   74.339  148.398   65.551 11.39246 99.11193 
1 1 1  -13   20    9 o  193.080   56.796   57.958   74.279  -6.8196  110.864  110.723  100.058  169.096   76.875  217.064   83.628 -47.96843 113.5927 
1 1 1  -13   20   10 o  158.624   51.002 -22.9888   71.374 -85.5815  104.710   31.333   97.546  141.723   67.666  175.525   76.329 -33.80182 102.0037 
1 1 1  -13   20   11 o  296.647   68.146  252.854   88.977  254.184  109.081  250.208  153.813  308.420   86.907  284.873  104.989 23.54706 136.2918 
1 1 1  -13   20   12 f  275.714   68.088  218.024   87.190  215.088  103.747  225.086  160.885  282.245   86.239  269.184  105.389 13.06073 136.1763 
1 1 1  -13   20   13 o  246.779   62.517  172.344   78.566  195.738   93.055  114.272  146.613  271.959   81.360  221.599   94.943 50.35974 125.0340 
1 1 1  -13   20   14 o  213.517   81.941  114.985   95.806  114.985   95.806   0.0000   0.0000  213.517   81.941  ?   ?       ?      ? 
1 1 1  -13   20   15 f  198.085   97.658 -108.9082  270.030 -108.9082  270.030   0.0000   0.0000  198.085   97.658  ?   ?       ?      ? 
1 1 1  -13   20   16 o  251.206   64.092  212.334   90.220  251.584  103.037   83.348  186.786  295.663   84.860  206.749   96.073 88.91345 128.1843 
1 1 1  -13   20   17 o  144.939   51.053 -92.8208   70.007 -107.7133   76.039  -9.9684  179.352  107.997   52.959  181.881   87.298 -73.88454 102.1060 
1 1 1  -13   20   18 o  216.388   58.700  146.654   70.011  162.208   74.049   15.595  214.947  242.698   72.570  190.078   92.283 52.61949 117.3998 
1 1 1  -13   20   19 o  268.228   58.029  270.053   79.239  295.394   83.570   44.437  249.357  340.670   65.237  195.785   95.988 144.8858 116.0584 
1 1 1  -13   20   20 o  273.112   73.560  238.241   81.521  208.162   85.005  582.787  287.698  268.420   77.089  277.805  125.306 -9.385620 147.1199 
1 1 1  -13   20   21 f  177.413   61.337 -25.0744   60.882 -53.7749   63.208  343.514  226.517  108.858   52.136  245.968  111.044 -137.1105 122.6741 
1 1 1  -13   20   22 o  176.781   55.122   64.935   52.992   62.619   55.331   90.609  184.201  161.947   62.242  191.616   90.994 -29.66840 110.2449 
1 1 1  -13   20   23 o  238.177   57.924  188.416   60.835  187.728   63.667  195.643  206.270  268.790   61.966  207.564   97.883 61.22662 115.8489 
1 1 1  -13   21    1 o  206.987   59.647   87.330   73.656   90.074  124.910   85.867   91.200  212.786   89.237  201.187   79.170 11.59921 119.2942 
1 1 1  -13   21    2 o  135.257   45.342 -53.5639   51.164 -11.3168  107.987 -65.7929   58.099  166.129   75.659  104.385   49.991 61.74459 90.68323 
1 1 1  -13   21    3 o  133.775   45.024 -47.7222   54.579 -116.3098  120.965 -30.1901   61.158  146.580   70.695  120.971   55.776 25.60979 90.04854 
1 1 1  -13   21    4 o  228.157   64.222   63.177   74.496  281.659  162.169   4.7409   83.869  300.504  108.244  155.810   69.148 144.6944 128.4450 
1 1 1  -13   21    5 o  381.592  136.649  584.988  258.094  584.988  258.094   0.0000   0.0000  381.592  136.649  ?   ?       ?      ? 
1 1 1  -13   21    6 o  177.074   54.456   33.883   69.302   5.9834  116.668   49.096   86.149  176.193   79.604  177.954   74.330 -1.760910 108.9118 
1 1 1  -13   21    7 o  145.506   47.781 -43.7890   66.634 -108.1293  105.839  -1.5414   85.764  136.977   66.079  154.035   69.035 -17.05872 95.56273 
1 1 1  -13   21    8 o  178.161   58.009  -6.2337   91.294 -166.2432  189.452   42.161  104.189  173.602   84.805  182.721   79.171 -9.119125 116.0173 
1 1 1  -13   21    9 f  180.160   51.710   48.838   61.756  106.389   82.506 -24.4863   93.128  210.240   76.982  150.080   69.062 60.15991 103.4208 
1 1 1  -13   21   10 o  210.572   53.112   98.632   65.453  178.515   84.931 -18.1986  102.711  263.097   77.490  158.047   72.654 105.0501 106.2234 
1 1 1  -13   21   11 o  145.337   47.612 -41.7407   66.640   13.797   89.051 -112.4252  100.463  160.369   71.208  130.304   63.223 30.06465 95.22445 
1 1 1  -13   21   12 o  198.651   81.846   88.217  102.457   88.217  102.457   0.0000   0.0000  198.651   81.846  ?   ?       ?      ? 
1 1 1  -13   21   13 o  210.970  101.600   34.799  247.697   34.799  247.697   0.0000   0.0000  210.970  101.600  ?   ?       ?      ? 
1 1 1  -13   21   14 o  139.601   47.810 -76.7244   70.633 -87.0623   83.746 -51.2459  131.472  120.280   58.208  158.922   75.862 -38.64208 95.61988 
1 1 1  -13   21   15 o  229.355   56.056  163.108   69.074  202.506   80.893   57.055  132.719  273.353   74.014  185.357   84.207 87.99577 112.1111 
1 1 1  -13   21   16 o  123.917   42.147 -57.2500   53.882 -63.7392   64.598 -42.4115   97.682  108.063   52.002  139.770   66.341 -31.70750 84.29358 
1 1 1  -13   21   17 o  137.551   45.167  -8.7335   54.877   9.9108   63.428 -64.2337  109.436  134.784   59.960  140.318   67.565 -5.534180 90.33359 
1 1 1  -13   21   18 o  178.802   52.887   78.165   63.097  103.738   68.792 -57.3704  158.373  195.366   70.482  162.238   78.870 33.12817 105.7740 
1 1 1  -13   21   19 o  212.976   57.747  144.061   66.702  156.141   70.404   38.180  208.434  237.568   70.700  188.384   91.326 49.18376 115.4940 
1 1 1  -13   21   20 o  136.304   48.667 -65.2131   49.889 -75.7095   52.204   45.305  169.395   90.636   44.327  181.971   86.656 -91.33584 97.33493 
1 1 1  -13   21   21 o  167.846   49.612   43.264   20.970   41.703   21.146  136.025  163.032  136.435   38.201  199.257   91.575 -62.82246 99.22372 
1 1 1  -13   22    1 o  155.618   49.412  -4.5915   63.486 -40.5202   94.016   25.524   86.075  145.730   67.865  165.505   71.836 -19.77510 98.82348 
1 1 1  -13   22    2 o  152.650   50.378 -26.7076   63.523 -26.8643  129.920 -26.6584   72.821  172.175   80.046  133.126   61.190 39.04826 100.7550 
1 1 1  -13   22    3 o  188.477   58.569   22.764   72.513  130.760  144.602 -13.5175   83.813  229.727   96.157  147.227   66.897 82.49997 117.1383 
1 1 1  -13   22    4 o  147.902   50.093 -48.0257   66.242 -127.1926  158.462 -31.2619   72.919  164.564   79.742  131.241   60.649 33.32309 100.1852 
1 1 1  -13   22    5 o  258.171   74.091  188.297  107.694  269.794  203.492  156.591  126.926  277.048  114.853  239.294   93.630 37.75418 148.1815 
1 1 1  -13   22    6 o  368.849  145.317  695.433  307.590  695.433  307.590   0.0000   0.0000  368.849  145.317  ?   ?       ?      ? 
1 1 1  -13   22    7 o  182.917   51.531   33.600   62.697  145.781   92.906 -60.2133   84.960  234.522   82.181  131.311   62.194 103.2109 103.0618 
1 1 1  -13   22    8 o  249.261   81.199  167.314   90.640  167.314   90.640   0.0000   0.0000  249.261   81.199  ?   ?       ?      ? 
1 1 1  -13   22    9 o  275.016   79.329  202.727   89.840  202.727   89.840   0.0000   0.0000  275.016   79.329  ?   ?       ?      ? 
1 1 1  -13   22   10 o  192.862   94.202 -72.4277  233.533 -72.4277  233.533   0.0000   0.0000  192.862   94.202  ?   ?       ?      ? 
1 1 1  -13   22   11 o  301.404   88.409  435.019  162.034  602.529  301.924  367.257  192.031  308.097  134.134  294.711  115.207 13.38608 176.8176 
1 1 1  -13   22   12 o  205.281   59.003  115.401   73.264  123.453   89.299   98.823  128.141  210.719   79.527  199.843   87.184 10.87538 118.0069 
1 1 1  -13   22   13 o  141.565   46.062 -11.1967   59.535   24.357   71.617 -90.7257  107.112  148.508   64.973  134.623   65.310 13.88477 92.12411 
1 1 1  -13   22   14 f  156.335   49.359   28.830   56.222   30.889   65.230   22.882  110.875  147.363   63.238  165.306   75.805 -17.94308 98.71861 
1 1 1  -13   22   15 o  159.105   50.064   27.586   52.858   12.373   59.999   80.322  111.709  133.490   58.900  184.721   80.972 -51.23135 100.1287 
1 1 1  -13   22   16 o  231.050   54.608  168.254   61.172  187.020   70.249  109.383  124.423  265.703   67.590  196.397   85.789 69.30600 109.2160 
1 1 1  -13   22   17 o  187.365   50.542   94.120   59.946  140.627   70.426 -28.1991  114.214  224.243   71.437  150.487   71.517 73.75632 101.0839 
1 1 1  -13   22   18 o  219.346   54.087  158.013   63.835  183.642   70.438   40.220  151.009  260.853   68.367  177.840   83.831 83.01353 108.1741 
1 1 1  -13   22   19 o  145.349   50.178 -30.2818   49.049 -44.9402   51.700  101.752  155.163   99.526   47.527  191.173   88.389 -91.64693 100.3561 
1 1 1  -13   22   20 o  212.280   51.756  150.913   57.902  169.994   61.723   10.953  167.167  254.151   62.636  170.409   82.411 83.74205 103.5127 
1 1 1  -13   23    1 o  259.571   59.152  183.109   87.313  323.613  114.858  -9.2289  134.385  344.018   85.835  175.123   81.414 168.8956 118.3044 
1 1 1  -13   23    2 o  305.606   68.139  298.379   99.885  385.845  132.750  184.245  151.643  367.189   92.646  244.023   99.943 123.1655 136.2785 
1 1 1  -13   23    3 o  180.193   58.468   11.261   83.348   76.576  158.238 -13.8181   98.052  206.197   92.975  154.189   70.920 52.00748 116.9364 
1 1 1  -13   23    4 o  362.930  145.822  771.142  315.743  771.142  315.743   0.0000   0.0000  362.930  145.822  ?   ?       ?      ? 
1 1 1  -13   23    5 o  183.921   88.900 -62.0281  193.900 -62.0281  193.900   0.0000   0.0000  183.921   88.900  ?   ?       ?      ? 
1 1 1  -13   23    6 o  230.497  107.380  164.287  235.712  164.287  235.712   0.0000   0.0000  230.497  107.380  ?   ?       ?      ? 
1 1 1  -13   23    7 o  376.053  102.102  740.666  197.183  1146.02  356.907  562.580  236.565  412.440  158.184  339.667  129.138 72.77271 204.2029 
1 1 1  -13   23    8 o  174.574   59.765 -15.8276   85.028   68.904  231.684 -29.0162   91.406  207.328   99.434  141.821   66.333 65.50729 119.5295 
1 1 1  -13   23    9 o  201.093   66.205   81.945  107.777  114.007  259.390   75.255  118.490  213.676  103.172  188.511   82.995 25.16530 132.4103 
1 1 1  -13   23   10 o  151.844   50.091 -11.0384   71.492  -6.5125   90.973 -18.3470  115.606  147.208   67.927  156.479   73.636 -9.270721 100.1817 
1 1 1  -13   23   11 o  216.399   53.179  133.871   74.026  227.324   88.196 -88.9046  136.172  283.227   77.532  149.570   72.808 133.6571 106.3587 
1 1 1  -13   23   12 o  126.676   42.308 -65.0094   60.216   15.030   74.575 -214.9624  102.075  144.513   64.598  108.839   54.651 35.67466 84.61514 
1 1 1  -13   23   13 o  130.014   43.974 -46.9023   59.012 -47.8177   71.900 -45.0129  103.295  118.848   56.558  141.180   67.351 -22.33209 87.94856 
1 1 1  -13   23   14 o  206.135   59.442  122.550   69.093  111.488   79.288  157.458  140.855  198.799   74.959  213.471   92.274 -14.67131 118.8836 
1 1 1  -13   23   15 o  188.010   56.909   91.447   69.913   90.422   81.147   94.400  137.714  184.708   74.027  191.311   86.456 -6.603333 113.8188 
1 1 1  -13   23   16 o  130.391   43.821 -42.0582   60.907   3.3738   69.999 -183.6660  123.582  135.180   61.313  125.601   62.625 9.578674 87.64256 
1 1 1  -13   23   17 o  154.880   52.188  -4.4071   60.375 -20.6761   65.388   89.667  157.236  121.459   56.574  188.301   87.715 -66.84203 104.3768 
1 1 1  -13   23   18 o  211.998   56.123  149.206   62.729  157.845   66.917   86.612  180.126  237.510   68.451  186.486   88.958 51.02391 112.2456 
1 1 1  -13   24    1 f  184.447   59.038   52.880   87.092   36.297  107.402   84.723  148.827  171.320   76.984  197.575   89.528 -26.25537 118.0755 
1 1 1  -13   24    2 o  237.980   64.901  184.873   93.273  260.823  124.116   86.324  141.381  279.393   95.114  196.567   88.328 82.82571 129.8021 
1 1 1  -13   24    3 o  130.293   46.181 -149.0349   74.345 -115.1950  155.321 -159.0920   84.674  155.377   76.089  105.208   52.357 50.16912 92.36211 
1 1 1  -13   24    4 o  174.119   58.072 -15.8674   84.381  143.924  171.962 -66.5439   96.841  214.462   96.793  133.776   64.193 80.68634 116.1442 
1 1 1  -13   24    5 o  200.402   65.037   34.647   93.122  303.621  200.841 -39.0125  105.102  255.228  110.254  145.577   69.015 109.6514 130.0735 
1 1 1  -13   24    6 o  188.212   61.700   62.764  102.062   20.450  208.841   76.041  116.983  190.345   92.067  186.078   82.167 4.267227 123.4008 
1 1 1  -13   24    7 o  162.146   56.204 -56.5002   87.114   67.921  200.973 -85.2861   96.668  196.096   93.659  128.196   62.158 67.90074 112.4086 
1 1 1  -13   24    8 o  218.011   62.546  149.102   86.482  219.974  123.247   80.357  121.383  249.189   93.556  186.833   83.038 62.35538 125.0927 
1 1 1  -13   24    9 o  157.471   51.504   5.7779   72.170   41.717  116.809 -16.4117   91.784  172.135   78.508  142.806   66.687 29.32967 103.0086 
1 1 1  -13   24   10 o  178.668   54.743   30.441   75.766  172.231  115.553 -76.4886  100.347  225.531   88.999  131.805   63.768 93.72583 109.4865 
1 1 1  -13   24   11 o  158.350   52.433 -46.9455   83.451 -167.6717  111.656  105.834  125.607  121.714   60.498  194.985   85.657 -73.27081 104.8669 
1 1 1  -13   24   12 o  229.570   67.249  200.393   98.772  204.885  120.335  191.116  172.918  239.555   91.857  219.584   98.246 19.97064 134.4987 
1 1 1  -13   24   13 o  167.957   56.143   8.2169   91.152 -22.4410  112.318   67.363  156.006  150.459   71.334  185.456   86.716 -34.99696 112.2865 
1 1 1  -13   24   14 o  181.345   59.436   42.269   86.951  -8.6821  101.424  183.565  168.900  148.341   69.539  214.350   96.409 -66.00928 118.8716 
1 1 1  -13   24   15 o  152.221   51.478 -19.8232   84.142   17.598   96.763 -135.8654  170.395  153.421   70.524  151.022   75.009 2.398727 102.9564 
1 1 1  -13   24   16 o  162.982   72.657   50.836   93.657   50.836   93.657   0.0000   0.0000  162.982   72.657  ?   ?       ?      ? 
1 1 1  -13   25    1 o  157.291   51.563 -30.9956   85.646   81.442  104.674 -258.7379  148.973  183.957   79.531  130.626   65.650 53.33139 103.1265 
1 1 1  -13   25    2 o  134.970   46.575 -99.7897   80.274 -78.2218  107.763 -126.6772  120.321  136.082   65.897  133.859   65.837 2.222794 93.14999 
1 1 1  -13   25    3 o  169.852   57.959 -76.8273   97.922  178.761  181.063 -182.4857  116.415  217.091   98.520  122.613   61.079 94.47766 115.9178 
1 1 1  -13   25    4 f  162.451   54.022  -2.9057   87.747   34.880  127.488 -36.9190  120.956  172.876   79.996  152.026   72.624 20.85005 108.0444 
1 1 1  -13   25    5 o  162.125   54.160  -7.4408   88.474   31.553  136.389 -35.7699  116.251  174.238   81.341  150.013   71.533 24.22539 108.3208 
1 1 1  -13   25    6 o  161.648   54.928 -23.8029   96.873 -160.4001  203.480   16.231  110.158  161.922   80.675  161.375   74.564 0.5469666 109.8554 
1 1 1  -13   25    7 o  174.013   58.727   16.666  104.115 -112.1921  238.823   46.902  115.686  175.269   87.337  172.757   78.535 2.512131 117.4546 
1 1 1  -13   25    8 o  134.370   64.896 -70.2125  102.801   0.0000   0.0000 -70.2125  102.801  ?   ?   134.370   64.896      ?      ? 
1 1 1  -13   25    9 o  179.600   59.443   37.938   96.295  128.223  169.607  -5.0085  116.977  201.977   93.039  157.223   74.012 44.75447 118.8866 
1 1 1  -13   25   10 o  154.996   52.440 -31.9790   86.559   25.503  138.700 -68.6478  110.779  171.420   80.664  138.573   67.033 32.84714 104.8807 
1 1 1  -13   25   11 o  182.886   58.501   41.151   97.609  188.478  136.471 -113.1527  139.665  222.114   93.218  143.659   70.710 78.45514 117.0022 
1 1 1  -13   25   12 o  153.740   52.534 -46.5155   97.351   8.4966  124.194 -134.1843  156.781  160.932   75.911  146.548   72.643 14.38339 105.0686 
1 1 1  -13   25   13 o  195.907   62.694  130.094  108.156  171.268  127.603   25.040  203.823  212.865   89.779  178.949   87.532 33.91652 125.3881 
1 1 1  -13   26    1 o  148.437   50.448 -61.0646   89.146   15.827  106.357 -242.6673  163.452  158.908   73.368  137.967   69.261 20.94080 100.8959 
1 1 1  -13   26    2 o  154.485   53.586 -92.8271  109.576 -66.4237  161.933 -115.1285  148.824  160.721   78.490  148.248   72.974 12.47250 107.1718 
1 1 1  -13   26    3 o  158.461   54.593 -62.1090  108.447 -131.5565  181.029 -23.2352  135.440  157.328   77.999  159.594   76.405 -2.266022 109.1856 
1 1 1  -13   26    4 o  164.919   56.729 -36.0106  111.470 -51.9331  195.413 -28.3305  135.717  171.471   84.250  158.367   75.993 13.10327 113.4588 
1 1 1  -13   26    5 o  162.873   56.604 -58.6398  111.764 -23.5687  211.262 -72.2699  131.703  178.018   87.494  147.728   71.841 30.29056 113.2089 
1 1 1  -13   26    6 o  172.881   57.688   32.026   98.994  -1.3436  177.475   47.097  119.273  174.225   84.415  171.537   78.648 2.687241 115.3752 
1 1 1  -13   26    7 o  186.277   61.893   63.142  104.717  177.163  189.221   12.805  125.725  209.407   97.097  163.146   76.779 46.26071 123.7851 
1 1 1  -13   26    8 o  157.182   54.446 -56.9365  102.215  -0.1371  183.141 -82.6347  123.187  173.773   84.555  140.590   68.615 33.18295 108.8923 
1 1 1  -13   26    9 o  156.652   54.721 -80.8254  113.763 -33.5574  194.665 -105.3417  140.195  169.863   83.584  143.441   70.650 26.42299 109.4422 
1 1 1  -13   27    1 o  281.711   70.062  376.188  122.861  505.124  153.578  146.978  204.765  364.855  103.229  198.567   94.756 166.2876 140.1249 
1 1 1  -13   27    2 o  211.112   92.492  178.366  145.587  178.366  145.587   0.0000   0.0000  211.112   92.492  ?   ?       ?      ? 
1 1 1  -13   27    3 o  249.667   76.372  308.366  130.600  183.874  161.001  547.895  223.325  209.411   94.164  289.923  120.266 -80.51219 152.7439 
1 1 1  -12    0    1 o  151.552   17.753   48.563   13.623   48.563   13.623   48.563   13.623  151.552   25.106  151.552   25.106 -0.000000 0.000000 
1 1 1  -12    0    2 o   49.955   20.571   5.9009   9.3675   5.9009   9.3675   5.9009   9.3675   49.955   29.091   49.955   29.091 0.000000 0.000000 
1 1 1  -12    0    3 o  400.432   17.197  317.964   37.684  317.964   37.684  317.964   37.684  400.432   24.321  400.432   24.321 -0.000000 0.000000 
1 1 1  -12    0    4 o  874.805   23.447  1514.12  112.830  1514.12  112.830  1514.12  112.830  874.805   33.159  874.805   33.159 0.000000 0.000000 
1 1 1  -12    0    5 o  113.415   21.764   30.182   11.775   30.182   11.775   30.182   11.775  113.415   30.779  113.415   30.779 -0.000000 0.000000 
1 1 1  -12    0    6 o  401.224   17.284  319.067   37.946  319.067   37.946  319.067   37.946  401.224   24.443  401.224   24.443 -0.000000 0.000000 
1 1 1  -12    0    7 o  502.777   18.263  499.512   50.371  499.512   50.371  499.512   50.371  502.777   25.828  502.777   25.828 0.000000 0.000000 
1 1 1  -12    0    8 o  957.366   24.787  1810.35  130.565  1810.35  130.565  1810.35  130.565  957.366   35.054  957.366   35.054 -0.000000 0.000000 
1 1 1  -12    0    9 o  837.420   32.690  1398.91  150.026  1398.91  150.026  1398.91  150.026  837.420   46.231  837.420   46.231 -0.000000 0.000000 
1 1 1  -12    0   10 o  456.161   17.876  411.239   44.687  411.239   44.687  411.239   44.687  456.161   25.281  456.161   25.281 0.000000 0.000000 
1 1 1  -12    0   11 o  267.397   16.986  143.288   24.601  143.288   24.601  143.288   24.601  267.397   24.021  267.397   24.021 0.000000 0.000000 
1 1 1  -12    0   12 o  601.368   19.524  712.869   64.486  712.869   64.486  712.869   64.486  601.368   27.611  601.368   27.611 0.000000 0.000000 
1 1 1  -12    0   13 o  312.184   17.242  194.173   29.290  194.173   29.290  194.173   29.290  312.184   24.384  312.184   24.384 0.000000 0.000000 
1 1 1  -12    0   14 o  1219.33   41.971  2972.03  280.908  2972.03  280.908  2972.03  280.908  1219.33   59.356  1219.33   59.356 0.000000 0.000000 
1 1 1  -12    0   15 o  1072.39   26.734  2268.54  157.773  2268.54  157.773  2268.54  157.773  1072.39   37.807  1072.39   37.807 -0.000000 0.000000 
1 1 1  -12    0   16 o  338.100   17.665  227.404   32.547  227.404   32.547  227.404   32.547  338.100   24.981  338.100   24.981 0.000000 0.000000 
1 1 1  -12    0   17 o   69.770   25.875   13.870   13.148   13.870   13.148   13.870   13.148   69.770   36.593   69.770   36.593 0.000000 0.000000 
1 1 1  -12    0   18 o  368.252   18.091  269.427   36.360  269.427   36.360  269.427   36.360  368.252   25.585  368.252   25.585 -0.000000 0.000000 
1 1 1  -12    0   19 o  652.983   20.554  841.261   73.738  841.261   73.738  841.261   73.738  652.983   29.068  652.983   29.068 -0.000000 0.000000 
1 1 1  -12    0   20 o  303.095   18.916  184.218   31.074  184.218   31.074  184.218   31.074  303.095   26.751  303.095   26.751 0.000000 0.000000 
1 1 1  -12    0   21 o  236.030   38.971  126.705   44.130  126.705   44.130  126.705   44.130  236.030   55.113  236.030   55.113 -0.000000 0.000000 
1 1 1  -12    0   22 o  185.463   26.900   75.615   24.332   75.615   24.332   75.615   24.332  185.463   38.042  185.463   38.042 -0.000000 0.000000 
1 1 1  -12    0   23 o  739.446   22.003  1082.69   89.432  1082.69   89.432  1082.69   89.432  739.446   31.117  739.446   31.117 0.000000 0.000000 
1 1 1  -12    0   24 o  705.159   21.559  986.369   83.542  986.369   83.542  986.369   83.542  705.159   30.488  705.159   30.488 0.000000 0.000000 
1 1 1  -12    0   25 o  301.066   19.745  183.297   32.158  183.297   32.158  183.297   32.158  301.066   27.923  301.066   27.923 0.000000 0.000000 
1 1 1  -12    0   26 o  297.876   26.871  185.324   42.211  185.324   42.211  185.324   42.211  297.876   38.002  297.876   38.002 -0.000000 0.000000 
1 1 1  -12    0   27 o   75.200   35.058  -4.6333   37.332  -4.6333   37.332  -4.6333   37.332   75.200   49.579   75.200   49.579 0.000000 0.000000 
1 1 1  -12    0   28 o  482.520   20.107  466.478   53.118  466.478   53.118  466.478   53.118  482.520   28.435  482.520   28.435 0.000000 0.000000 
1 1 1  -12    0   29 o  235.196   25.308  117.883   30.594  117.883   30.594  117.883   30.594  235.196   35.791  235.196   35.791 -0.000000 0.000000 
1 1 1  -12    0   30 o  223.333   32.166  112.694   35.076  112.694   35.076  112.694   35.076  223.333   45.490  223.333   45.490 -0.000000 0.000000 
1 1 1  -12    0   31 o  174.887   31.985   73.232   26.680   73.232   26.680   73.232   26.680  174.887   45.233  174.887   45.233 0.000000 0.000000 
1 1 1  -12    0   32 f  288.862   51.382  212.506   70.846  212.506   70.846  212.506   70.846  288.862   72.666  288.862   72.666 -0.000000 0.000000 
1 1 1  -12    0   33 o  448.799   21.376  410.681   52.393  410.681   52.393  410.681   52.393  448.799   30.230  448.799   30.230 0.000000 0.000000 
1 1 1  -12    0   34 o  303.281   23.547  192.830   38.202  192.830   38.202  192.830   38.202  303.281   33.301  303.281   33.301 0.000000 0.000000 
1 1 1  -12    1    1 o  517.005   22.362  526.205   42.382  516.972   51.552  545.459   74.441  511.621   25.821  522.388   36.516 -10.76727 44.72313 
1 1 1  -12    1    2 o  668.740   28.931  897.764   75.435  862.633  104.083  936.636  109.485  655.078   40.715  682.402   41.113 -27.32367 57.86189 
1 1 1  -12    1    3 o  316.166   16.274  196.905   20.075  202.446   28.497  191.446   28.285  320.612   22.776  311.720   23.252 8.892517 32.54856 
1 1 1  -12    1    4 o  269.665   16.121  143.174   16.963  140.031   23.867  146.382   24.114  266.661   22.935  272.669   22.662 -6.008911 32.24260 
1 1 1  -12    1    5 o  489.396   17.947  472.258   34.271  462.947   48.015  481.928   48.930  484.477   25.397  494.315   25.365 -9.838806 35.89396 
1 1 1  -12    1    6 o  299.197   16.346  176.151   19.084  177.914   26.986  174.387   26.993  300.708   22.996  297.686   23.236 3.021210 32.69147 
1 1 1  -12    1    7 o  227.491   16.197  101.793   14.352  109.981   20.442   93.834   20.153  236.573   22.143  218.409   23.645 18.16380 32.39444 
1 1 1  -12    1    8 o  313.232   16.416  192.502   20.029  176.487   27.763  209.882   28.921  299.618   23.745  326.846   22.675 -27.22781 32.83260 
1 1 1  -12    1    9 o  690.129   29.316  948.030   78.894  917.070  109.027  982.061  114.307  678.414   41.182  701.844   41.735 -23.43073 58.63255 
1 1 1  -12    1   10 o  915.326   24.080  1656.52   86.004  1636.58  120.496  1677.22  122.792  909.754   33.940  920.899   34.169 -11.14453 48.16060 
1 1 1  -12    1   11 o  242.807   16.580  115.734   15.709  116.482   22.120  114.973   22.312  243.609   23.268  242.005   23.626 1.604767 33.15984 
1 1 1  -12    1   12 o  466.626   17.862  427.481   32.517  441.327   46.499  414.230   45.488  474.032   25.137  459.220   25.383 14.81223 35.72330 
1 1 1  -12    1   13 o  559.355   18.910  614.594   41.268  600.601   57.620  629.333   59.134  552.826   26.709  565.884   26.778 -13.05804 37.82085 
1 1 1  -12    1   14 o  730.588   30.083  1058.09   85.671  1013.89  117.779  1107.76  124.844  714.512   42.240  746.665   42.846 -32.15314 60.16652 
1 1 1  -12    1   15 f  1035.96   26.157  2123.07  105.740  2143.71  150.638  2103.03  148.463  1040.89   37.085  1031.03   36.899 9.852051 52.31474 
1 1 1  -12    1   16 o  451.243   18.012  400.083   31.717  401.854   44.757  398.296   44.951  452.260   25.360  450.226   25.585 2.034180 36.02354 
1 1 1  -12    1   17 o  133.566   21.735   36.579   11.118   40.909   15.812   32.345   15.636  141.507   29.586  125.625   31.850 15.88165 43.47092 
1 1 1  -12    1   18 o  559.483   19.262  616.016   42.049  630.585   60.030  601.982   58.917  565.986   27.179  552.979   27.302 13.00751 38.52423 
1 1 1  -12    1   19 f  304.290   18.086  182.118   21.472  177.078   30.173  187.288   30.563  300.007   25.772  308.574   25.381 -8.566528 36.17175 
1 1 1  -12    1   20 o  470.901   18.526  436.469   34.039  447.375   48.563  425.936   47.724  476.697   26.105  465.105   26.294 11.59247 37.05208 
1 1 1  -12    1   21 o  294.191   29.160  172.842   33.412  170.233   45.702  175.838   48.969  292.000   40.107  296.383   42.339 -4.383606 58.31951 
1 1 1  -12    1   22 o  366.296   18.722  264.920   26.749  273.978   37.838  255.870   37.821  372.629   26.021  359.963   26.924 12.66595 37.44304 
1 1 1  -12    1   23 f  393.621   18.967  306.743   29.125  313.123   41.010  300.250   41.370  397.836   26.415  389.405   27.224 8.429962 37.93303 
1 1 1  -12    1   24 o  347.946   18.996  240.028   25.770  226.394   35.806  254.678   37.117  337.639   27.175  358.252   26.549 -20.61279 37.99126 
1 1 1  -12    1   25 o  381.641   19.468  290.552   28.965  306.850   41.121  274.501   40.806  392.469   26.849  370.813   28.199 21.65598 38.93669 
1 1 1  -12    1   26 o  334.940   25.437  228.787   33.225  224.217   47.552  233.147   46.441  331.347   36.775  338.532   35.154 -7.184875 50.87410 
1 1 1  -12    1   27 f  426.422   25.449  363.477   38.926  396.594   71.775  349.677   46.332  436.026   42.182  416.818   28.484 19.20850 50.89861 
1 1 1  -12    1   28 o  307.389   20.667  190.338   24.663  165.318   33.976  218.207   35.859  285.634   30.481  329.143   27.917 -43.50943 41.33360 
1 1 1  -12    1   29 o  236.948   23.078  114.765   21.332  118.695   30.566  111.032   29.786  240.943   32.508  232.952   32.765 7.991776 46.15562 
1 1 1  -12    1   30 o  189.292   28.796   77.361   20.624   64.406   27.733   93.392   30.850  170.865   41.910  207.720   39.501 -36.85516 57.59190 
1 1 1  -12    1   31 o  297.726   22.234  183.691   25.804  191.619   36.321  175.612   36.668  304.701   30.545  290.750   32.317 13.95056 44.46809 
1 1 1  -12    1   32 o  445.851   36.447  456.556   62.410  555.428   90.584  367.214   86.108  497.955   46.616  393.747   56.039 104.2079 72.89314 
1 1 1  -12    1   33 o  260.676   24.007  143.506   24.370  152.596   34.339  134.281   34.592  269.755   32.620  251.597   35.232 18.15817 48.01415 
1 1 1  -12    1   34 o  215.084   25.547   99.765   20.787  117.939   30.300   83.608   28.570  236.538   32.826  193.629   39.156 42.90919 51.09480 
1 1 1  -12    2    1 o  800.410   31.889  1293.62   99.478  1348.30  145.251  1245.31  136.521  815.979   45.615  784.840   44.574 31.13898 63.77792 
1 1 1  -12    2    2 o  979.217   31.212  1940.94  112.603  1950.35  138.547  1922.63  193.270  988.339   35.922  970.096   51.053 18.24329 62.42389 
1 1 1  -12    2    3 o  446.355   17.482  392.943   30.451  389.872   42.863  396.072   43.268  444.598   24.705  448.112   24.743 -3.514130 34.96484 
1 1 1  -12    2    4 o  538.318   18.533  572.094   38.932  578.004   55.290  566.281   54.829  541.081   26.185  535.554   26.235 5.526917 37.06614 
1 1 1  -12    2    5 o  218.721   16.208   94.089   13.821   88.524   19.304   99.943   19.799  212.056   23.327  225.386   22.510 -13.33064 32.41693 
1 1 1  -12    2    6 o  250.184   16.285  123.186   15.862  134.161   22.613  112.555   22.255  261.233   22.182  239.135   23.848 22.09764 32.56947 
1 1 1  -12    2    7 o  433.146   17.386  369.075   29.380  380.788   41.964  357.814   41.146  439.905   24.445  426.387   24.728 13.51852 34.77119 
1 1 1  -12    2    8 o  580.248   19.068  663.169   43.174  673.069   61.450  653.519   60.673  584.530   26.939  575.967   26.994 8.563049 38.13632 
1 1 1  -12    2    9 o  261.304   23.857  135.922   23.968  164.849   34.268  108.219   33.536  289.033   30.382  233.575   36.792 55.45816 47.71455 
1 1 1  -12    2   10 o  761.197   21.619  1142.70   64.218  1149.09   91.090  1136.39   90.548  763.310   30.580  759.083   30.567 4.226868 43.23775 
1 1 1  -12    2   11 o  619.714   19.628  755.275   47.457  740.061   66.237  771.323   68.028  613.319   27.675  626.108   27.843 -12.78870 39.25682 
1 1 1  -12    2   12 o  1627.62   37.283  5314.83  236.732  5389.82  339.891  5244.18  329.912  1638.39   53.161  1616.84   52.288 21.54419 74.56573 
1 1 1  -12    2   13 o  743.992   21.427  1089.66   62.201  1108.31   88.899  1071.77   87.061  750.213   30.366  737.771   30.239 12.44171 42.85403 
1 1 1  -12    2   14 o  510.509   25.920  513.984   51.569  545.584   75.240  485.989   70.819  525.258   36.707  495.760   36.606 29.49863 51.83951 
1 1 1  -12    2   15 o  415.149   17.600  338.388   28.511  335.768   39.988  341.098   40.660  413.526   24.780  416.772   25.000 -3.246002 35.19990 
1 1 1  -12    2   16 o  535.128   18.845  562.998   39.349  574.544   55.918  551.672   55.382  540.584   26.507  529.671   26.794 10.91321 37.68956 
1 1 1  -12    2   17 o  404.644   17.823  321.504   28.129  309.539   39.111  334.324   40.487  396.847   25.255  412.441   25.155 -15.59412 35.64502 
1 1 1  -12    2   18 o  286.235   18.069  161.103   20.179  160.204   28.218  162.044   28.869  285.437   25.333  287.033   25.773 -1.595581 36.13846 
1 1 1  -12    2   19 f  1047.22   26.502  2177.60  108.305  2190.61  153.809  2164.81  152.531  1050.30   37.526  1044.14   37.434 6.160889 53.00488 
1 1 1  -12    2   20 o  360.948   18.282  256.518   25.745  262.498   36.366  250.509   36.452  365.207   25.517  356.689   26.188 8.518951 36.56391 
1 1 1  -12    2   21 o  869.544   34.414  1526.00  116.758  1563.71  166.679  1489.67  163.605  880.173   48.527  858.915   48.811 21.25745 68.82815 
1 1 1  -12    2   22 o  327.113   19.224  211.304   24.525  208.987   34.005  213.817   35.404  325.303   26.787  328.922   27.582 -3.618774 38.44873 
1 1 1  -12    2   23 o  280.399   19.532  155.775   21.367  154.923   29.840  156.671   30.610  279.656   27.343  281.143   27.900 -1.486511 39.06487 
1 1 1  -12    2   24 o  529.067   19.642  556.150   40.536  544.932   56.330  568.198   58.379  523.612   27.568  534.523   27.987 -10.91119 39.28410 
1 1 1  -12    2   25 o  642.926   21.005  827.659   52.698  837.701   74.453  817.577   74.600  646.953   29.490  638.899   29.921 8.054260 42.01098 
1 1 1  -12    2   26 o  278.237   25.404  156.423   27.457  175.267   41.209  141.378   36.820  293.136   36.024  263.338   35.830 29.79886 50.80817 
1 1 1  -12    2   27 o  130.991   28.432   38.869   17.989  -7.9486   36.458   53.936   20.682  102.110   45.440  159.872   34.186 -57.76171 56.86345 
1 1 1  -12    2   28 o  289.087   21.586  169.609   24.294  182.606   34.374  156.637   34.341  300.591   29.304  277.583   31.702 23.00800 43.17100 
1 1 1  -12    2   29 o  408.893   20.527  338.684   32.747  333.474   45.724  344.171   46.922  405.745   28.877  412.042   29.181 -6.296631 41.05399 
1 1 1  -12    2   30 o  408.885   23.524  349.831   36.572  369.540   47.661  321.609   57.031  425.996   28.670  391.775   37.303 34.22098 47.04763 
1 1 1  -12    2   31 o  316.119   23.337  208.009   28.680  185.184   39.837  232.568   41.322  297.306   34.336  334.933   31.615 -37.62698 46.67393 
1 1 1  -12    2   32 o  405.581   42.622  408.931   62.888  476.908   84.742  325.602   93.824  460.626   47.143  350.536   71.022 110.0897 85.24396 
1 1 1  -12    2   33 o  131.308   29.355   37.063   16.809   46.861   25.812   29.848   22.150  143.887   42.805  118.728   40.182 25.15881 58.71046 
1 1 1  -12    2   34 f  308.409   22.581  199.527   27.127  183.890   37.726  216.270   39.036  295.358   32.731  321.459   31.117 -26.10117 45.16199 
1 1 1  -12    3    1 o  706.280   29.751  994.584   81.563  1097.17  123.356  914.899  108.721  737.943   42.836  674.617   41.298 63.32617 59.50122 
1 1 1  -12    3    2 o  429.970   17.329  364.475   29.072  373.657   41.362  355.510   40.871  435.351   24.346  424.590   24.667 10.76089 34.65820 
1 1 1  -12    3    3 o  599.538   19.322  710.263   45.204  704.544   63.574  716.110   64.288  597.109   27.283  601.967   27.367 -4.857910 38.64350 
1 1 1  -12    3    4 o  879.629   23.552  1537.11   80.841  1553.04  115.201  1521.65  113.471  884.080   33.391  875.178   33.224 8.902466 47.10437 
1 1 1  -12    3    5 o  528.180   18.445  550.049   38.014  559.438   54.096  540.890   53.430  532.644   26.026  523.715   26.143 8.928894 36.88908 
1 1 1  -12    3    6 o  402.566   17.136  318.905   26.919  323.644   38.170  314.217   37.970  405.558   24.118  399.575   24.351 5.982697 34.27283 
1 1 1  -12    3    7 o  567.309   18.916  634.060   41.876  631.162   59.027  636.997   59.418  566.009   26.723  568.609   26.778 -2.599487 37.83110 
1 1 1  -12    3    8 f  464.210   21.732  415.834   36.693  399.677   44.088  452.250   66.188  450.794   25.061  477.626   35.511 -26.83191 43.46372 
1 1 1  -12    3    9 o  477.230   25.574  449.834   47.515  495.240   69.228  409.390   65.335  500.065   35.475  454.396   36.845 45.66888 51.14717 
1 1 1  -12    3   10 o  1070.50   26.695  2271.75  111.518  2279.17  158.135  2264.40  157.289  1072.22   37.793  1068.78   37.712 3.443604 53.38996 
1 1 1  -12    3   11 o  548.383   18.772  591.170   40.171  594.632   56.856  587.720   56.765  549.994   26.490  546.771   26.604 3.223206 37.54305 
1 1 1  -12    3   12 o  416.560   17.106  338.522   27.683  386.848   40.792  297.264   37.692  444.017   23.542  389.103   24.823 54.91406 34.21112 
1 1 1  -12    3   13 o  816.833   22.530  1315.07   71.816  1320.54  101.589  1309.60  101.537  818.546   31.803  815.120   31.920 3.425842 45.05951 
1 1 1  -12    3   14 o  780.109   31.184  1209.19   94.870  1169.28  131.311  1252.77  137.217  766.731   43.886  793.487   44.313 -26.75690 62.36729 
1 1 1  -12    3   15 o  1055.18   26.479  2203.60  109.015  2233.22  155.896  2175.25  152.499  1062.05   37.615  1048.31   37.277 13.74097 52.95741 
1 1 1  -12    3   16 o  328.801   17.671  212.523   22.656  216.413   31.604  208.410   32.496  331.951   24.397  325.651   25.571 6.299957 35.34226 
1 1 1  -12    3   17 o  490.193   18.556  472.392   35.482  491.247   50.717  454.315   49.659  499.805   26.003  480.581   26.479 19.22382 37.11189 
1 1 1  -12    3   18 o  567.530   19.444  634.240   43.062  632.721   60.550  635.794   61.253  566.867   27.372  568.194   27.625 -1.326904 38.88870 
1 1 1  -12    3   19 o  414.784   18.341  338.654   29.680  345.141   41.790  332.051   42.161  418.844   25.568  410.725   26.304 8.118225 36.68270 
1 1 1  -12    3   20 o  111.264   24.252   24.417   11.515   25.639   17.332   23.452   15.408  113.863   35.324  108.666   33.240 5.197517 48.50452 
1 1 1  -12    3   21 o  408.484   29.280  338.311   45.939  395.264   63.925  277.487   66.063  445.594   36.762  371.375   45.584 74.21872 58.56073 
1 1 1  -12    3   22 o  194.495   22.361   76.175   16.578   82.169   23.579   70.316   23.312  203.651   29.669  185.339   33.463 18.31148 44.72177 
1 1 1  -12    3   23 o  184.858   22.959   69.346   16.127   78.179   22.993   60.793   22.626  198.338   29.707  171.379   35.014 26.95844 45.91791 
1 1 1  -12    3   24 o  229.442   20.824  104.922   18.562   92.221   25.810  118.527   26.713  214.839   30.785  244.046   28.050 -29.20711 41.64735 
1 1 1  -12    3   25 o  364.725   22.078  266.253   30.527  262.971   38.744  271.626   49.573  362.997   27.351  366.452   34.665 -3.454193 44.15598 
1 1 1  -12    3   26 o  244.564   27.033  128.038   23.856  110.179   38.537  139.134   30.376  226.174   45.242  262.954   29.602 -36.77989 54.06615 
1 1 1  -12    3   27 o  181.583   25.043   69.787   17.251   55.026   24.863   83.491   23.956  159.949   39.950  203.217   30.208 -43.26730 50.08579 
1 1 1  -12    3   28 o  331.309   20.653  221.553   26.673  215.594   36.702  228.223   38.830  326.759   28.782  335.858   29.626 -9.098511 41.30542 
1 1 1  -12    3   29 o  275.577   26.769  160.414   27.832  146.973   44.184  169.256   35.835  263.366   42.990  287.789   31.908 -24.42249 53.53777 
1 1 1  -12    3   30 o  125.157   27.345   30.307   15.213   49.820   23.773   16.773   19.798  150.672   39.827   99.641   37.480 51.03113 54.68941 
1 1 1  -12    3   31 o  460.370   21.569  438.858   38.653  457.097   53.652  419.178   55.733  471.439   29.163  449.301   31.787 22.13776 43.13772 
1 1 1  -12    3   32 o  344.560   43.256  244.146   52.620  166.055   61.500  457.520  101.659  255.731   62.219  433.388   60.108 -177.6568 86.51121 
1 1 1  -12    3   33 o  425.914   21.612  377.431   35.901  379.871   50.068  374.849   51.507  427.824   29.989  424.004   31.129 3.819336 43.22427 
1 1 1  -12    3   34 o  391.556   22.245  321.913   33.944  335.627   47.624  307.754   48.392  400.911   30.440  382.202   32.445 18.70956 44.48915 
1 1 1  -12    4    1 o  584.733   62.957  856.654   70.155  877.426   73.393  636.681  238.837  666.149   28.233  503.316  122.709 162.8335 125.9145 
1 1 1  -12    4    2 o  342.394   16.499  230.805   22.041  236.132   31.249  225.531   31.093  346.353   23.120  338.435   23.543 7.918610 32.99718 
1 1 1  -12    4    3 o  705.505   20.845  984.047   57.365  1013.59   82.549  956.460   79.776  715.710   29.556  695.299   29.401 20.41077 41.68909 
1 1 1  -12    4    4 o  490.929   18.030  474.353   34.518  498.769   49.790  451.760   47.896  503.102   25.360  478.755   25.636 24.34677 36.06062 
1 1 1  -12    4    5 o  768.160   21.760  1166.99   65.223  1182.47   93.012  1152.01   91.486  773.153   30.828  763.167   30.719 9.986084 43.51999 
1 1 1  -12    4    6 o  270.364   16.494  143.733   17.328  161.697   24.849  126.730   24.175  286.907   22.194  253.820   24.407 33.08640 32.98899 
1 1 1  -12    4    7 o  462.777   17.767  421.246   32.082  430.135   45.586  412.522   45.160  467.636   24.980  457.919   25.271 9.717194 35.53360 
1 1 1  -12    4    8 o  385.483   24.482  294.362   36.734  321.140   52.329  268.345   51.579  402.991   33.275  367.975   35.919 35.01550 48.96312 
1 1 1  -12    4    9 o  284.022   16.615  158.423   18.412  161.303   25.996  155.525   26.081  286.632   23.241  281.413   23.749 5.218842 33.22900 
1 1 1  -12    4   10 o  1180.85   28.683  2768.88  132.154  2802.53  189.028  2736.70  184.832  1187.76   40.782  1173.94   40.346 13.81042 57.36676 
1 1 1  -12    4   11 f  832.463   22.822  1366.74   74.136  1362.30  104.296  1371.28  105.400  831.128   32.157  833.798   32.393 -2.669983 45.64349 
1 1 1  -12    4   12 o  1253.26   30.012  3120.07  146.772  3140.08  208.696  3100.49  206.456  1257.18   42.539  1249.33   42.347 7.849365 60.02309 
1 1 1  -12    4   13 o  980.569   50.650  1924.18  193.816   0.0000   0.0000  1924.18  193.816  ?   ?   980.569   50.650      ?      ? 
1 1 1  -12    4   14 o  525.446   18.730  542.560   38.401  543.116   53.865  541.987   54.759  525.752   26.254  525.140   26.721 0.6121216 37.46046 
1 1 1  -12    4   15 o  1159.83   28.352  2669.46  128.323  2676.88  181.768  2662.09  181.187  1161.43   40.104  1158.22   40.087 3.204956 56.70381 
1 1 1  -12    4   16 o  331.485   17.815  215.361   23.013  205.255   31.534  226.874   33.659  323.206   25.002  339.764   25.386 -16.55865 35.63061 
1 1 1  -12    4   17 o  683.800   20.840  921.718   55.609  929.462   78.656  913.980   78.629  686.700   29.352  680.900   29.592 5.799683 41.67950 
1 1 1  -12    4   18 o  325.672   18.140  208.712   23.040  211.253   32.137  206.024   33.050  327.766   25.125  323.577   26.173 4.188873 36.28100 
1 1 1  -12    4   19 f  568.462   19.742  636.753   43.775  633.514   60.904  640.214   62.960  567.047   27.523  569.878   28.311 -2.831055 39.48446 
1 1 1  -12    4   20 o  434.835   22.994  374.038   37.230  375.336   62.866  373.336   46.203  434.474   37.078  435.196   27.205 -0.7223511 45.98832 
1 1 1  -12    4   21 o  244.250   31.478  107.967   23.420   99.386   25.829  147.642   55.538  224.176   29.524  264.324   55.604 -40.14859 62.95616 
1 1 1  -12    4   22 o  157.187   24.827   51.407   15.567   29.047   22.203   73.024   21.832  122.403   40.204  191.970   29.142 -69.56674 49.65497 
1 1 1  -12    4   23 o  643.144   20.955  822.307   52.559  813.375   72.874  831.991   75.878  639.686   29.192  646.602   30.071 -6.916138 41.91013 
1 1 1  -12    4   24 o  568.264   20.188  641.666   44.680  612.780   60.890  675.366   65.767  554.625   28.133  581.903   28.962 -27.27765 40.37630 
1 1 1  -12    4   25 o  293.029   26.248  176.769   29.621  157.934   43.924  192.479   40.116  277.355   40.582  308.702   33.300 -31.34665 52.49583 
1 1 1  -12    4   26 o  142.069   37.888   27.724   20.150   23.754   21.439   57.799   59.007  112.431   39.473  171.707   64.682 -59.27650 75.77524 
1 1 1  -12    4   27 o  349.047   19.904  245.576   27.076  254.748   37.872  235.987   38.725  356.057   27.256  342.037   29.013 14.02051 39.80753 
1 1 1  -12    4   28 o  424.301   20.470  364.529   33.825  381.113   47.158  346.956   48.544  434.835   27.790  413.767   30.064 21.06796 40.94081 
1 1 1  -12    4   29 o   73.606   23.695  -4.3185   11.500 -12.5947   28.276  -2.6783   12.588   85.639   38.891   61.572   27.081 24.06733 47.39072 
1 1 1  -12    4   30 o  493.667   21.893  502.957   41.986  527.408   57.748  475.538   61.152  507.888   29.136  479.446   32.684 28.44272 43.78575 
1 1 1  -12    4   31 o  177.540   32.693   77.453   22.273   50.371   45.549   85.963   25.534  151.900   56.906  203.179   32.204 -51.27892 65.38608 
1 1 1  -12    4   32 o  310.031   41.839  211.003   36.916  199.115   40.240  274.182   92.768  307.729   33.509  312.333   76.677 -4.603668 83.67878 
1 1 1  -12    4   33 o  140.116   30.253   44.531   17.862   40.922   29.314   46.663   22.526  135.850   46.225  144.382   39.042 -8.532028 60.50622 
1 1 1  -12    4   34 o   88.092   25.835   3.7373   13.112   20.297   25.690  -2.0958   15.247  108.385   42.202   67.799   29.812 40.58592 51.66952 
1 1 1  -12    5    1 o  252.965   21.671  134.869   19.742  154.219   24.838  101.673   32.533  280.021   22.730  225.908   36.903 54.11343 43.34106 
1 1 1  -12    5    2 o  275.042   16.515  148.642   16.563  148.320   20.111  149.322   29.198  274.979   18.742  275.105   27.197 -0.1264038 33.02938 
1 1 1  -12    5    3 o  711.386   24.763  1022.70   67.173  1109.80   88.647  905.242  102.940  749.153   30.322  673.618   39.160 75.53516 49.52698 
1 1 1  -12    5    4 o  446.004   20.221  405.937   33.835  457.840   44.161  332.163   52.649  482.535   23.452  409.474   32.949 73.06131 40.44240 
1 1 1  -12    5    5 o  995.723   25.464  1966.65   98.892  2015.67  142.799  1921.47  137.085  1007.49   36.320  983.956   35.701 23.53381 50.92881 
1 1 1  -12    5    6 o  281.481   16.166  155.648   17.742  164.428   25.243  147.076   24.941  289.368   22.354  273.595   23.360 15.77362 32.33243 
1 1 1  -12    5    7 o  1106.93   33.650  2485.07  139.199  2563.22  175.222  2351.39  229.181  1135.39   39.547  1078.47   54.455 56.92065 67.30021 
1 1 1  -12    5    8 o  360.858   20.224  245.798   27.013  290.108   47.806  225.014   32.741  383.331   31.958  338.386   24.794 44.94446 40.44819 
1 1 1  -12    5    9 o  570.095   19.123  638.796   42.528  621.648   59.175  657.113   61.161  562.200   26.972  577.990   27.116 -15.78979 38.24592 
1 1 1  -12    5   10 o  336.030   16.548  221.755   21.678  232.732   30.617  210.721   30.698  344.425   22.779  327.635   24.010 16.79074 33.09636 
1 1 1  -12    5   11 o  699.635   20.806  963.198   56.794  950.200   79.342  976.856   81.332  694.829   29.261  704.440   29.586 -9.611084 41.61210 
1 1 1  -12    5   12 o  358.086   17.070  251.844   23.826  265.530   33.682  238.137   33.709  367.889   23.461  348.284   24.802 19.60483 34.14020 
1 1 1  -12    5   13 o  633.561   28.183  791.936   69.514  733.225   94.628  860.756  102.451  608.172   39.872  658.950   39.841 -50.77869 56.36544 
1 1 1  -12    5   14 o  321.509   17.380  202.623   21.784  196.089   29.978  209.934   31.709  316.048   24.306  326.970   24.851 -10.92233 34.76099 
1 1 1  -12    5   15 o  704.104   21.087  976.733   57.939  983.828   81.842  969.604   82.034  706.701   29.676  701.508   29.966 5.192932 42.17397 
1 1 1  -12    5   16 o  280.023   18.403  154.458   20.067  165.011   28.262  143.728   28.497  289.770   24.993  270.275   27.018 19.49472 36.80514 
1 1 1  -12    5   17 o  637.121   20.501  800.064   50.958  800.323   71.250  799.794   72.909  637.302   28.649  636.941   29.332 0.3613281 41.00181 
1 1 1  -12    5   18 o  1910.07   43.602  7458.17  324.994  7438.28  457.715  7478.40  461.531  1907.75   61.481  1912.38   61.844 -4.625732 87.20403 
1 1 1  -12    5   19 o  223.189   19.773   98.343   17.195  102.440   24.025   94.041   24.622  228.038   26.997  218.340   28.897 9.698669 39.54592 
1 1 1  -12    5   20 o  364.381   30.082  270.630   41.322  287.545   53.128  244.728   65.745  380.406   35.789  348.356   48.363 32.04999 60.16441 
1 1 1  -12    5   21 o  305.943   18.910  185.217   22.516  193.237   31.184  176.483   32.544  313.035   25.527  298.851   27.905 14.18430 37.81966 
1 1 1  -12    5   22 o  652.407   21.150  845.138   53.823  853.471   75.250  836.409   77.016  655.890   29.400  648.925   30.412 6.964294 42.29957 
1 1 1  -12    5   23 o  207.970   21.759   86.283   17.589   76.639   24.573   96.416   25.188  195.842   32.153  220.098   29.325 -24.25594 43.51774 
1 1 1  -12    5   24 o  475.758   19.650  451.763   36.429  466.270   50.741  436.333   52.334  483.979   26.866  467.537   28.683 16.44174 39.30040 
1 1 1  -12    5   25 o  511.030   37.556  533.418   74.895   0.0000   0.0000  533.418   74.895  ?   ?   511.030   37.556      ?      ? 
1 1 1  -12    5   26 o  437.645   30.075  370.268   41.064  351.745   45.537  450.898   95.009  418.477   27.884  456.812   53.296 -38.33463 60.14981 
1 1 1  -12    5   27 o  170.511   26.804   62.959   17.433   50.958   25.389   73.664   23.979  153.625   41.409  187.396   34.044 -33.77142 53.60709 
1 1 1  -12    5   28 o  299.044   21.752  182.247   25.217  206.634   35.814  158.271   35.511  319.714   28.705  278.375   32.689 41.33823 43.50396 
1 1 1  -12    5   29 o  169.980   29.013   72.092   21.461   15.641   37.675   99.208   26.112  119.441   49.460  220.519   30.343 -101.0774 58.02533 
1 1 1  -12    5   30 f  226.811   25.465  109.337   21.949   98.750   31.012  119.963   31.070  213.280   38.685  240.342   33.127 -27.06171 50.93014 
1 1 1  -12    5   31 o  201.326   32.424  105.416   24.693   54.948   45.689  126.241   29.349  155.768   57.249  246.885   30.462 -91.11728 64.84890 
1 1 1  -12    5   32 o  206.434   40.486  117.507   32.192  127.433   34.749   57.426   85.494  244.532   36.414  168.336   72.322 76.19644 80.97204 
1 1 1  -12    5   33 o  384.339   22.357  308.905   33.518  296.641   46.891  321.718   47.929  376.283   31.933  392.394   31.300 -16.11157 44.71497 
1 1 1  -12    5   34 f  111.167   28.760   24.828   16.056   16.664   28.448   28.644   19.449  107.130   43.514  115.205   37.617 -8.074898 57.52003 
1 1 1  -12    6    1 o  290.946   18.982  178.270   20.047  212.971   25.872  126.127   31.714  329.454   20.123  252.439   32.193 77.01468 37.96492 
1 1 1  -12    6    2 o  319.508   43.397  221.483   29.459  223.322   30.774  201.339  101.838  337.052   23.397  301.964   83.581 35.08868 86.79371 
1 1 1  -12    6    3 o  328.378   18.322  216.321   22.238  225.825   27.710  199.128   37.271  339.209   20.933  317.546   30.077 21.66296 36.64455 
1 1 1  -12    6    4 o  413.490   19.994  331.708   30.834  319.507   38.023  355.139   52.692  403.134   24.170  423.845   31.857 -20.71124 39.98822 
1 1 1  -12    6    5 o  408.513   19.851  331.569   30.197  338.359   37.692  319.399   50.459  415.025   23.272  402.002   32.165 13.02298 39.70108 
1 1 1  -12    6    6 o  277.018   20.672  145.320   20.441  137.213   24.108  166.056   38.557  264.321   23.372  289.716   34.103 -25.39560 41.34371 
1 1 1  -12    6    7 o  314.953   22.489  158.019   24.526   91.285   28.685  339.423   47.293  214.855   34.211  415.051   29.199 -200.1953 44.97768 
1 1 1  -12    6    8 o  431.276   17.722  365.405   29.823  364.260   41.820  366.590   42.541  430.610   24.887  431.943   25.238 -1.333466 35.44436 
1 1 1  -12    6    9 o  595.883   19.491  697.937   45.307  723.212   64.956  673.991   63.227  606.403   27.449  585.365   27.678 21.03796 38.98134 
1 1 1  -12    6   10 o  1112.48   27.556  2451.90  119.621  2471.87  170.342  2432.47  168.022  1116.90   39.082  1108.06   38.857 8.839966 55.11151 
1 1 1  -12    6   11 o  136.501   19.552   37.937   10.055   37.960   14.039   37.912   14.409  136.594   27.292  136.407   28.006 0.1878357 39.10487 
1 1 1  -12    6   12 o  796.997   31.594  1264.19   98.258  1260.37  139.492  1267.94  138.429  795.719   44.922  798.276   44.437 -2.557190 63.18701 
1 1 1  -12    6   13 o  594.755   19.633  692.959   45.479  748.314   66.707  644.885   62.166  616.871   27.711  572.638   27.819 44.23297 39.26548 
1 1 1  -12    6   14 o  267.164   17.955  138.725   18.616  122.309   24.943  159.367   27.970  249.496   25.619  284.831   25.163 -35.33504 35.90978 
1 1 1  -12    6   15 o  377.156   18.015  280.065   26.466  295.552   37.111  264.035   37.755  387.886   24.517  366.425   26.403 21.46085 36.03082 
1 1 1  -12    6   16 o  195.255   19.563   75.242   14.869   79.457   20.741   70.785   21.328  200.970   26.446  189.540   28.835 11.42931 39.12651 
1 1 1  -12    6   17 o  648.256   20.591  828.494   52.082  827.085   72.942  829.959   74.390  647.754   28.856  648.757   29.383 -1.002991 41.18300 
1 1 1  -12    6   18 o  615.315   20.357  745.404   48.817  724.966   67.005  768.526   71.267  606.446   28.313  624.184   29.258 -17.73853 40.71437 
1 1 1  -12    6   19 o  284.074   22.274  160.967   23.893  153.861   38.561  165.396   30.441  278.431   35.490  289.719   26.925 -11.28799 44.54707 
1 1 1  -12    6   20 o  551.495   27.452  639.106   53.335  692.616   64.733  525.995   94.115  592.300   28.006  510.689   47.225 81.61124 54.90447 
1 1 1  -12    6   21 o  142.909   25.355   43.132   14.371   31.025   21.343   53.173   19.437  124.901   39.274  160.917   32.078 -36.01631 50.70971 
1 1 1  -12    6   22 o  264.832   20.502  140.733   20.739  175.319   29.561  107.211   29.103  297.748   25.441  231.917   32.157 65.83144 41.00426 
1 1 1  -12    6   23 o  443.604   19.582  390.173   33.794  377.644   45.735  405.240   50.154  436.025   26.879  451.183   28.485 -15.15866 39.16480 
1 1 1  -12    6   24 o  352.225   21.674  249.380   29.006  251.243   37.135  246.466   46.455  355.047   26.802  349.403   34.070 5.644409 43.34877 
1 1 1  -12    6   25 o  294.943   24.264  167.652   26.454  205.634   47.166  150.220   31.953  316.674   38.167  273.212   29.970 43.46149 48.52702 
1 1 1  -12    6   26 o  230.838   22.325  108.471   19.900  127.166   28.353   90.321   27.937  251.224   28.921  210.452   34.017 40.77176 44.64924 
1 1 1  -12    6   27 o  473.315   20.904  449.915   38.394  425.775   51.157  481.051   58.098  459.442   28.533  487.188   30.558 -27.74551 41.80813 
1 1 1  -12    6   28 o  418.618   25.325  362.172   39.778  359.784   65.610  363.559   50.018  414.269   40.584  422.969   30.303 -8.699921 50.64957 
1 1 1  -12    6   29 o  148.974   28.665   46.718   16.659   57.379   27.575   40.591   20.906  161.002   43.054  136.945   37.855 24.05727 57.32903 
1 1 1  -12    6   30 o  237.372   24.041  117.499   22.212  120.743   32.762  114.739   30.219  239.935   34.990  234.809   32.978 5.126129 48.08172 
1 1 1  -12    6   31 o  452.416   43.282  449.961   76.414  449.961   76.414   0.0000   0.0000  452.416   43.282  ?   ?       ?      ? 
1 1 1  -12    6   32 o  145.729   29.783   45.184   17.125   58.848   29.785   38.436   20.931  159.655   45.562  131.803   38.369 27.85211 59.56618 
1 1 1  -12    6   33 o  143.277   28.406   48.910   18.996   11.900   30.928   71.330   24.071  105.953   44.417  180.601   35.420 -74.64728 56.81107 
1 1 1  -12    7    1 o  593.114   25.657  695.137   59.270  745.882   87.071  651.320   80.909  613.180   36.388  573.048   36.181 40.13239 51.31381 
1 1 1  -12    7    2 o  512.650   57.246  608.746   71.421  626.662   76.837  494.950  193.649  562.430   35.008  462.869  109.007 99.56079 114.4912 
1 1 1  -12    7    3 o  571.226   22.520  645.379   48.197  647.490   60.342  641.660   80.103  573.511   26.961  568.942   36.079 4.568298 45.03992 
1 1 1  -12    7    4 o  763.337   25.628  1156.50   73.368  1161.22   92.008  1148.27  121.581  767.133   30.734  759.541   41.019 7.591797 51.25561 
1 1 1  -12    7    5 o  459.331   22.396  417.521   37.458  419.451   45.514  413.471   65.942  461.943   25.248  456.718   36.998 5.225220 44.79198 
1 1 1  -12    7    6 o  443.567   24.008  388.896   41.552  381.885   58.762  395.906   58.764  439.517   34.260  447.617   33.641 -8.099945 48.01537 
1 1 1  -12    7    7 o  246.128   19.693  123.831   17.170  131.223   20.734  107.700   30.628  258.740   20.534  233.515   33.611 25.22528 39.38680 
1 1 1  -12    7    8 o  608.224   23.288  723.767   52.644  709.854   64.911  750.506   89.988  600.758   27.688  615.691   37.453 -14.93365 46.57623 
1 1 1  -12    7    9 o  316.034   20.876  196.512   23.943  196.352   28.964  196.858   42.550  316.341   23.462  315.726   34.535 0.6152344 41.75106 
1 1 1  -12    7   10 o  302.820   20.968  182.342   22.566  185.074   26.965  175.957   41.221  307.204   22.493  298.436   35.394 8.767487 41.93660 
1 1 1  -12    7   11 o  575.088   37.899  654.575   85.053   0.0000   0.0000  654.575   85.053  ?   ?   575.088   37.899      ?      ? 
1 1 1  -12    7   12 o  672.420   29.402  889.984   77.153  889.984   77.153   0.0000   0.0000  672.420   29.402  ?   ?       ?      ? 
1 1 1  -12    7   13 o  811.774   22.729  1299.74   71.991  1297.06  100.816  1302.54  102.835  810.996   31.855  812.551   32.431 -1.555603 45.45889 
1 1 1  -12    7   14 o  403.057   18.593  320.266   29.133  331.216   39.935  307.809   42.595  410.597   24.923  395.517   27.597 15.08029 37.18570 
1 1 1  -12    7   15 o  847.847   23.335  1419.69   77.187  1457.73  110.523  1383.46  107.845  858.940   32.973  836.754   33.027 22.18585 46.66902 
1 1 1  -12    7   16 o  401.322   18.825  316.475   29.421  309.840   40.156  324.165   43.230  396.875   25.928  405.768   27.301 -8.892242 37.65081 
1 1 1  -12    7   17 o  322.616   19.206  204.259   24.127  194.654   32.818  215.555   35.592  314.437   26.745  330.795   27.572 -16.35834 38.41240 
1 1 1  -12    7   18 o  747.309   22.235  1099.09   64.623  1048.90   87.155  1160.38   96.311  728.684   30.649  765.935   32.222 -37.25092 44.47075 
1 1 1  -12    7   19 o  467.720   34.386  466.126   58.439  622.111   80.190  289.464   85.340  559.273   36.742  376.167   58.135 183.1064 68.77294 
1 1 1  -12    7   20 o  318.388   19.592  199.882   24.271  195.662   32.931  204.899   35.910  314.842   26.803  321.934   28.584 -7.091919 39.18458 
1 1 1  -12    7   21 o  145.363   24.683   43.526   13.774   47.247   20.628   40.533   18.502  150.866   35.611  139.859   34.188 11.00677 49.36528 
1 1 1  -12    7   22 o  397.681   19.427  315.364   29.925  358.500   42.289  272.098   42.352  425.523   25.467  369.838   29.345 55.68472 38.85472 
1 1 1  -12    7   23 o  841.261   24.191  1423.94   79.301  1411.84  109.035  1437.52  115.545  838.121   33.337  844.402   35.065 -6.280212 48.38282 
1 1 1  -12    7   24 o  411.423   35.077  343.322   56.318   0.0000   0.0000  343.322   56.318  ?   ?   411.423   35.077      ?      ? 
1 1 1  -12    7   25 o  517.392   20.924  540.110   42.111  553.223   57.752  525.223   61.535  524.852   28.197  509.931   30.923 14.92145 41.84835 
1 1 1  -12    7   26 o  654.189   22.276  869.533   56.777  909.667   79.532  827.820   81.081  670.470   30.397  637.908   32.571 32.56171 44.55162 
1 1 1  -12    7   27 o  157.962   27.611   54.317   16.882   48.575   25.804   58.616   22.324  149.838   42.285  166.087   35.518 -16.24820 55.22300 
1 1 1  -12    7   28 o  492.438   32.059  496.135   61.607   0.0000   0.0000  496.135   61.607  ?   ?   492.438   32.059      ?      ? 
1 1 1  -12    7   29 o  196.814   26.698   83.504   19.648   85.167   29.561   82.188   26.298  197.655   39.704  195.972   35.702 1.683212 53.39500 
1 1 1  -12    7   30 o  247.942   29.069  130.079   25.405  146.071   46.054  123.085   30.459  252.593   48.484  243.290   32.081 9.303543 58.13704 
1 1 1  -12    7   31 o  133.258   46.525   38.431   29.764   38.431   29.764   0.0000   0.0000  133.258   46.525  ?   ?       ?      ? 
1 1 1  -12    7   32 o  256.837   24.427  136.715   24.219  161.102   37.742  119.643   31.578  275.588   35.094  238.087   33.988 37.50092 48.85418 
1 1 1  -12    7   33 o  187.358   31.168   79.709   21.978   87.364   35.348   74.884   28.062  192.616   47.358  182.101   40.533 10.51564 62.33532 
1 1 1  -12    8    1 o  248.579   23.023  122.082   22.319  116.619   31.484  127.600   31.644  242.928   33.211  254.231   31.895 -11.30362 46.04641 
1 1 1  -12    8    2 o  303.394   42.606  198.655   36.075  202.627   39.254  177.065   91.511  320.445   31.391  286.343   79.219 34.10202 85.21200 
1 1 1  -12    8    3 o  582.954   26.749  673.233   60.658  666.716   82.394  680.943   89.628  580.223   36.389  585.685   39.215 -5.462097 53.49710 
1 1 1  -12    8    4 o  209.378   23.446   86.309   18.994   84.554   25.160   88.635   28.964  207.059   31.138  211.697   35.060 -4.637756 46.89122 
1 1 1  -12    8    5 o  730.616   29.262  1059.51   83.244  1080.66  122.359  1041.28  113.581  737.019   42.543  724.214   40.189 12.80450 58.52388 
1 1 1  -12    8    6 o  418.867   22.130  337.122   33.231  324.406   39.463  368.115   61.609  406.423   24.882  431.310   36.604 -24.88727 44.25987 
1 1 1  -12    8    7 o  881.429   27.962  1515.77   91.001  1466.65  111.095  1615.95  158.645  862.177   33.019  900.681   45.136 -38.50409 55.92429 
1 1 1  -12    8    8 o  419.749   21.850  350.116   33.803  356.609   41.697  337.669   57.733  426.159   25.073  413.338   35.792 12.82111 43.70053 
1 1 1  -12    8    9 o  235.326   22.193  105.396   17.956  101.475   20.755  117.067   35.809  227.429   23.385  243.223   37.727 -15.79315 44.38659 
1 1 1  -12    8   10 o  639.071  122.313  934.503  293.927   0.0000   0.0000  934.503  293.927  ?   ?   639.071  122.313      ?      ? 
1 1 1  -12    8   11 o  726.911   30.037  1040.48   85.205  1040.48   85.205   0.0000   0.0000  726.911   30.037  ?   ?       ?      ? 
1 1 1  -12    8   12 o  384.161   22.941  282.355   31.260  270.752   36.810  312.364   59.199  371.249   25.408  397.073   38.204 -25.82486 45.88202 
1 1 1  -12    8   13 o  744.122   26.129  1093.70   71.893  1087.38   88.446  1106.02  123.424  742.714   30.516  745.529   42.423 -2.815125 52.25847 
1 1 1  -12    8   14 o  958.826   29.819  1845.68  107.873  1893.60  137.257  1768.27  174.458  977.863   35.969  939.788   47.570 38.07483 59.63733 
1 1 1  -12    8   15 o  859.865   23.622  1461.88   79.259  1486.30  112.636  1437.92  111.550  867.019   33.290  852.712   33.522 14.30701 47.24407 
1 1 1  -12    8   16 o  391.362   18.723  299.911   28.513  281.001   38.586  322.657   42.318  377.882   26.166  404.841   26.786 -26.95862 37.44558 
1 1 1  -12    8   17 f  375.563   19.317  276.182   28.155  262.763   37.547  293.421   42.555  365.331   26.336  385.794   28.266 -20.46371 38.63385 
1 1 1  -12    8   18 o  254.138   39.647  161.940   35.138  190.283   40.285   71.793   71.845  309.907   33.310  198.369   71.958 111.5385 79.29372 
1 1 1  -12    8   19 o  263.946   20.727  135.811   21.196  117.826   28.196  159.181   32.140  244.099   29.600  283.793   29.021 -39.69450 41.45340 
1 1 1  -12    8   20 f  345.199   20.299  238.593   26.981  276.492   37.621  198.456   38.716  374.234   25.760  316.164   31.379 58.07016 40.59878 
1 1 1  -12    8   21 o  555.917   30.934  615.125   67.110   0.0000   0.0000  615.125   67.110  ?   ?   555.917   30.934      ?      ? 
1 1 1  -12    8   22 o  150.792   23.679   46.342   13.544   57.645   20.626   37.774   17.958  166.943   32.830  134.640   34.132 32.30295 47.35865 
1 1 1  -12    8   23 o  140.280   23.928   40.371   15.160   8.3642   21.959   69.522   20.956   94.074   38.223  186.486   28.796 -92.41112 47.85632 
1 1 1  -12    8   24 o  227.502   31.425  118.067   24.467   89.972   45.004  129.855   29.152  200.793   55.556  254.211   29.386 -53.41772 62.84923 
1 1 1  -12    8   25 o  553.188   21.729  616.810   46.553  602.432   61.857  635.592   70.698  546.851   28.986  559.526   32.378 -12.67474 43.45736 
1 1 1  -12    8   26 o  142.732   21.516   31.165   12.588   84.167   22.825   7.9993   15.090  204.279   28.633   81.186   32.123 123.0929 43.03125 
1 1 1  -12    8   27 o  332.372   21.743  224.985   28.136  232.596   38.952  216.682   40.684  338.809   29.461  325.935   31.986 12.87393 43.48622 
1 1 1  -12    8   28 o  264.699   28.154  150.134   26.914  144.897   44.905  153.070   33.622  256.041   46.662  273.357   31.518 -17.31613 56.30871 
1 1 1  -12    8   29 o  366.102   22.495  278.224   31.992  298.116   44.457  256.860   46.073  380.928   29.907  351.275   33.610 29.65323 44.98916 
1 1 1  -12    8   30 f  291.253   49.230  236.559   49.549  245.897   55.608  200.574  109.165  335.483   42.475  247.022   88.827 88.46103 98.46022 
1 1 1  -12    8   31 o  526.060   24.997  592.695   50.030  619.327   65.131  554.362   78.140  545.928   30.572  506.193   39.557 39.73520 49.99380 
1 1 1  -12    8   32 o  501.840   22.720  527.124   44.367  582.432   64.003  475.961   61.558  528.298   31.045  475.381   33.182 52.91776 45.44063 
1 1 1  -12    8   33 o  274.359   24.331  158.891   25.722  170.276   40.131  150.952   33.511  281.109   36.582  267.609   32.089 13.50000 48.66142 
1 1 1  -12    9    1 o  524.913   34.275  544.387   70.209  544.387   70.209   0.0000   0.0000  524.913   34.275  ?   ?       ?      ? 
1 1 1  -12    9    2 o  584.879   36.569  676.981   83.466  676.981   83.466   0.0000   0.0000  584.879   36.569  ?   ?       ?      ? 
1 1 1  -12    9    3 o  651.648   27.176  841.184   69.093  827.493   96.511  855.580   98.961  646.253   38.268  657.043   38.596 -10.79041 54.35157 
1 1 1  -12    9    4 o  805.920   74.756  1419.84  136.542  1410.65  411.983  1420.98  144.722  766.870  142.924  844.969   43.890 -78.09912 149.5111 
1 1 1  -12    9    5 o  322.376   23.150  205.615   28.978  229.384   41.029  181.956   40.934  341.222   30.812  303.530   34.558 37.69162 46.29950 
1 1 1  -12    9    6 o  365.738   26.014  265.373   37.010  246.762   53.094  282.964   51.618  352.986   38.544  378.491   34.947 -25.50488 52.02804 
1 1 1  -12    9    7 o  1037.62   31.260  2173.83  124.463  2394.85  167.562  1901.81  185.897  1099.52   39.052  975.713   48.822 123.8098 62.51924 
1 1 1  -12    9    8 o  997.367   30.273  1928.67  110.306  1845.10  132.974  2113.05  197.517  966.451   35.258  1028.28   49.222 -61.83063 60.54698 
1 1 1  -12    9    9 o  878.428  163.692  1930.89  540.487   0.0000   0.0000  1930.89  540.487  ?   ?   878.428  163.692      ?      ? 
1 1 1  -12    9   10 o  646.635   63.261  935.518   76.233  943.843   79.252  832.444  278.863  692.456   29.328  600.813  123.077 91.64368 126.5228 
1 1 1  -12    9   11 f  704.074   25.479  990.683   66.899  1016.79   83.803  944.826  111.075  718.483   29.889  689.665   41.271 28.81830 50.95749 
1 1 1  -12    9   12 o  394.847   24.571  315.914   34.031  326.640   40.533  290.297   62.643  407.690   25.477  382.004   42.022 25.68564 49.14153 
1 1 1  -12    9   13 o  408.113   24.141  343.691   34.373  364.246   41.116  295.988   62.638  430.578   24.470  385.647   41.621 44.93091 48.28131 
1 1 1  -12    9   14 o  425.737   25.246  355.750   36.656  352.263   42.461  365.953   72.626  423.222   25.709  428.252   43.457 -5.030029 50.49229 
1 1 1  -12    9   15 f  516.747   25.628  495.807   44.456  466.099   50.536  597.475   93.488  486.615   26.612  546.880   43.806 -60.26489 51.25582 
1 1 1  -12    9   16 f  635.763   26.737  744.540   57.805  689.533   65.972  926.376  119.947  591.365   28.587  680.162   45.190 -88.79626 53.47306 
1 1 1  -12    9   17 o  545.862   53.259  603.869  113.452   0.0000   0.0000  603.869  113.452  ?   ?   545.862   53.259      ?      ? 
1 1 1  -12    9   18 o  819.722   32.548  1331.79  104.118  1331.79  104.118   0.0000   0.0000  819.722   32.548  ?   ?       ?      ? 
1 1 1  -12    9   20 o  355.002   20.701  252.134   28.393  269.318   38.447  231.519   42.111  368.916   26.706  341.089   31.637 27.82663 41.40147 
1 1 1  -12    9   21 o  459.659   27.540  438.904   47.604  370.366   74.248  486.746   62.032  425.826   44.681  493.493   32.211 -67.66794 55.08094 
1 1 1  -12    9   22 o  612.035   24.662  770.424   57.058  829.076   74.040  684.650   89.536  644.154   29.454  579.917   39.564 64.23676 49.32396 
1 1 1  -12    9   23 o  243.497   33.619  136.643   27.702  102.804   51.844  150.164   32.772  213.743   59.804  273.251   30.733 -59.50810 67.23868 
1 1 1  -12    9   24 o  389.996   20.676  308.247   31.221  342.020   43.425  272.111   44.919  413.169   26.933  366.823   31.379 46.34604 41.35246 
1 1 1  -12    9   25 o  111.548   38.496  -0.3026   17.082   1.9511   17.281 -96.3092  112.790   77.846   32.947  145.251   69.587 -67.40558 76.99257 
1 1 1  -12    9   26 o  529.618   32.210  571.425   66.570   0.0000   0.0000  571.425   66.570  ?   ?   529.618   32.210      ?      ? 
1 1 1  -12    9   27 f   98.008   25.426   15.855   11.594   19.687   22.539   14.476   13.520  107.161   40.052   88.855   31.333 18.30631 50.85228 
1 1 1  -12    9   28 o  328.498   28.349  192.925   31.183  308.008   68.732  163.097   34.992  375.528   46.902  281.469   31.857 94.05850 56.69772 
1 1 1  -12    9   29 o  188.730   30.665   84.291   21.858   61.652   37.698   95.756   26.827  162.747   52.310  214.713   32.018 -51.96635 61.33047 
1 1 1  -12    9   30 o  231.521   43.202  153.647   35.380  163.223   37.763   84.881  101.195  277.947   34.815  185.095   79.079 92.85193 86.40369 
1 1 1  -12    9   31 o  268.632   24.703  152.141   25.833  164.669   38.142  141.524   35.113  278.719   35.067  258.545   34.802 20.17413 49.40555 
1 1 1  -12    9   32 o  341.914   23.968  247.618   31.885  246.373   46.795  248.697   43.561  340.003   35.268  343.826   32.466 -3.823120 47.93655 
1 1 1  -12   10    1 o  813.327   74.808  1503.06  143.404  1525.27  153.438  1349.69  403.176  875.233   44.924  751.421  142.711 123.8120 149.6151 
1 1 1  -12   10    2 o  441.556   68.658  429.596  115.082  440.717  164.090  418.831  161.443  447.450   96.788  435.662   97.404 11.78726 137.3154 
1 1 1  -12   10    3 o  490.615   52.926  571.273   69.068  607.810   76.229  403.769  163.217  554.673   35.217  426.556   99.821 128.1170 105.8516 
1 1 1  -12   10    4 o  563.196   55.584  784.633   86.372  870.379   97.742  479.049  184.518  663.175   37.768  463.216  104.555 199.9586 111.1677 
1 1 1  -12   10    5 o  719.847   28.816  1026.96   80.912  1064.99  116.355  991.346  112.592  732.759   40.690  706.935   40.813 25.82343 57.63153 
1 1 1  -12   10    6 f  1031.57   35.472  2127.91  142.774  2163.51  204.180  2093.85  199.719  1039.94   50.312  1023.21   50.018 16.73199 70.94450 
1 1 1  -12   10    7 o  562.007   26.990  618.474   58.860  696.072   89.091  558.367   78.410  592.876   38.507  531.139   37.830 61.73712 53.98039 
1 1 1  -12   10    8 o  598.846  116.595  813.991  262.674   0.0000   0.0000  813.991  262.674  ?   ?   598.846  116.595      ?      ? 
1 1 1  -12   10    9 o  355.153   23.180  252.620   28.813  257.619   34.129  240.217   53.757  362.262   24.142  348.044   39.579 14.21808 46.36094 
1 1 1  -12   10   10 o  700.046   25.380  974.715   65.855  986.660   81.607  952.413  111.509  707.776   29.546  692.316   41.274 15.46027 50.75926 
1 1 1  -12   10   11 o  212.610   28.534   94.045   18.804   95.913   21.151   87.003   41.068  220.968   24.529  204.253   51.527 16.71519 57.06745 
1 1 1  -12   10   12 o  674.305   25.495  888.773   62.515  868.526   75.378  933.385  111.892  663.917   29.094  684.693   41.876 -20.77600 50.99097 
1 1 1  -12   10   13 o  721.870   26.691  1006.77   69.444  964.874   82.774  1106.34  127.610  699.344   30.330  744.396   43.929 -45.05127 53.38194 
1 1 1  -12   10   14 o  303.008   27.806  153.737   29.270  123.963   33.376  252.887   60.907  250.243   34.178  355.773   43.870 -105.5300 55.61196 
1 1 1  -12   10   15 o  1344.40   38.889  3552.95  186.972  3393.49  221.583  3947.19  348.406  1302.97   43.578  1385.82   64.424 -82.84863 77.77841 
1 1 1  -12   10   16 o  137.702   39.583   9.6723   13.615   7.7111   13.849   66.262   74.389   79.487   30.975  195.916   72.855 -116.4289 79.16634 
1 1 1  -12   10   17 o  733.305   30.798  1063.86   88.133  1063.86   88.133   0.0000   0.0000  733.305   30.798  ?   ?       ?      ? 
1 1 1  -12   10   18 o  557.441   29.136  586.323   52.251  559.610   58.525  691.262  115.996  532.060   28.187  582.822   51.001 -50.76215 58.27176 
1 1 1  -12   10   19 o  425.475   65.061  381.875  108.025   0.0000   0.0000  381.875  108.025  ?   ?   425.475   65.061      ?      ? 
1 1 1  -12   10   20 o  303.527   42.677  191.476   31.894  189.745   33.814  205.428   96.013  309.127   28.030  297.927   80.621 11.19998 85.35455 
1 1 1  -12   10   21 o  126.026   45.818  -9.8798   11.277 -10.1078   11.317   22.338  134.548   50.703   23.590  201.350   88.548 -150.6474 91.63662 
1 1 1  -12   10   22 o  164.285   48.965   7.4347   38.873  -7.4235   41.939   98.076  103.585  110.996   49.096  217.574   84.735 -106.5784 97.93029 
1 1 1  -12   10   23 o  188.985   50.279   28.346   19.408   24.031   19.670  187.198  119.344  111.411   37.865  266.559   93.157 -155.1485 100.5585 
1 1 1  -12   10   24 o  195.351   50.480   58.355   22.987   56.488   23.333  119.973  134.038  162.734   37.510  227.969   93.733 -65.23502 100.9603 
1 1 1  -12   10   25 o  160.800   49.670   31.787   20.807   32.276   20.968   0.3949  167.959  124.538   38.890  197.062   91.410 -72.52412 99.33930 
1 1 1  -12   10   26 o  399.017   22.239  312.558   33.987  259.464   43.413  396.620   54.625  356.996   31.162  441.037   31.738 -84.04138 44.47879 
1 1 1  -12   10   27 o  114.241   25.802   22.207   12.318   41.699   22.950   14.319   14.599  138.706   40.119   89.776   32.456 48.92998 51.60356 
1 1 1  -12   10   28 o  126.544   35.212   34.607   18.025   0.0000   0.0000   34.607   18.025  ?   ?   126.544   35.212      ?      ? 
1 1 1  -12   10   29 o  138.609   38.383   39.867   27.230   51.291   28.141 -128.0468  107.892  150.286   44.692  126.933   62.414 23.35312 76.76514 
1 1 1  -12   10   30 o  269.015   26.971  158.372   26.587  113.324   37.139  205.725   38.077  223.669   44.116  314.360   31.039 -90.69124 53.94133 
1 1 1  -12   10   31 o  237.654   26.382  120.535   24.231  126.177   37.200  116.376   31.936  241.134   39.533  234.175   34.946 6.959320 52.76439 
1 1 1  -12   10   32 o  104.031   28.191   18.905   14.167   16.594   30.657   19.532   15.976  109.476   44.899   98.586   34.104 10.89033 56.38272 
1 1 1  -12   11    1 o  784.201   98.727  1442.43  295.862  1370.76  412.456  1518.39  424.635  756.042  145.074  812.359  133.948 -56.31720 197.4550 
1 1 1  -12   11    2 o  284.239   37.875  207.699   35.303  255.535   41.610   84.797   66.696  360.315   29.593  208.163   69.730 152.1526 75.74931 
1 1 1  -12   11    3 o  380.582   44.749  354.504   49.759  397.813   56.737  210.213  103.562  449.183   32.368  311.980   83.440 137.2032 89.49829 
1 1 1  -12   11    4 o  761.167   70.567  1221.24  122.467  1213.63  129.584  1284.90  374.712  781.606   42.485  740.729  134.588 40.87665 141.1341 
1 1 1  -12   11    5 o  472.356   52.266  556.891   70.907  629.630   81.104  320.942  146.071  564.193   36.837  380.519   97.827 183.6744 104.5323 
1 1 1  -12   11    6 o  515.136  105.842  592.494  205.655   0.0000   0.0000  592.494  205.655  ?   ?   515.136  105.842      ?      ? 
1 1 1  -12   11    7 o  174.214   44.581   52.324   38.188   53.822   61.807   51.398   48.566  179.856   66.502  168.573   59.392 11.28247 89.16268 
1 1 1  -12   11    8 o  912.250   33.019  1660.03  117.411  1625.91  161.576  1698.22  170.904  902.693   45.867  921.806   47.510 -19.11249 66.03773 
1 1 1  -12   11    9 o  692.745   29.797  947.561   80.246  858.806  108.237  1055.89  119.579  656.972   42.218  728.517   42.061 -71.54547 59.59457 
1 1 1  -12   11   10 o  601.442   24.998  721.445   54.495  731.302   66.120  700.569   96.224  609.516   27.798  593.369   41.556 16.14783 49.99602 
1 1 1  -12   11   11 o  150.118   30.027   50.266   17.394   57.784   19.072   13.092   42.410  171.267   28.536  128.968   52.841 42.29922 60.05365 
1 1 1  -12   11   12 o  1035.08   32.693  2044.23  118.823  1923.13  138.556  2380.91  231.019  985.017   36.045  1085.15   54.554 -100.1277 65.38676 
1 1 1  -12   11   13 o  603.050   25.933  693.489   54.954  659.335   64.214  786.964  106.232  578.377   28.450  627.724   43.367 -49.34692 51.86603 
1 1 1  -12   11   14 o  570.666   27.081  654.487   54.137  663.908   64.104  631.058  101.092  580.315   28.307  561.017   46.175 19.29846 54.16109 
1 1 1  -12   11   15 o  436.048   33.472  373.478   50.507  363.390   58.788  401.909   98.691  427.955   35.201  444.141   56.941 -16.18610 66.94347 
1 1 1  -12   11   16 o  587.079   28.425  680.507   65.122  680.507   65.122   0.0000   0.0000  587.079   28.425  ?   ?       ?      ? 
1 1 1  -12   11   17 o  479.705   28.586  408.757   41.831  380.501   45.810  550.559  102.624  439.026   26.738  520.384   50.535 -81.35760 57.17284 
1 1 1  -12   11   18 o  289.276   38.546  143.168   26.199  135.341   27.463  222.397   87.373  261.586   26.903  316.967   72.245 -55.38129 77.09149 
1 1 1  -12   11   19 o  246.788   42.685  147.033   28.157  152.834   29.575   90.878   92.017  277.610   27.300  215.966   80.886 61.64357 85.36915 
1 1 1  -12   11   20 o  337.017   56.948  228.423   36.692  224.469   37.611  306.384  166.998  335.648   28.714  338.385  110.216 -2.737183 113.8952 
1 1 1  -12   11   21 o  422.581   64.202  345.371   68.453  317.012   72.231  595.408  214.479  390.129   47.444  455.032  119.317 -64.90250 128.4035 
1 1 1  -12   11   22 f  494.470   40.511  500.002   71.595  455.965   84.319  613.786  135.536  466.464   46.321  522.476   66.475 -56.01181 81.02167 
1 1 1  -12   11   23 o  260.806   46.501  183.221   33.364  190.755   34.732   93.239  120.036  307.783   28.917  213.829   88.392 93.95375 93.00229 
1 1 1  -12   11   24 o  182.129   47.811   53.789   23.197   52.624   23.641   83.945  120.263  156.531   38.877  207.728   87.361 -51.19746 95.62113 
1 1 1  -12   11   25 o  294.538   56.604  198.852   34.951  196.683   35.676  250.609  174.267  311.736   29.326  277.340  109.343 34.39572 113.2074 
1 1 1  -12   11   26 o  290.652   51.237  142.241   31.834  131.264   32.790  322.266  132.794  252.742   33.246  328.563   96.931 -75.82123 102.4735 
1 1 1  -12   11   27 o  285.283   52.408  170.211   39.987  158.023   42.038  286.062  129.604  272.960   39.465  297.607   97.103 -24.64713 104.8164 
1 1 1  -12   11   28 f  197.314   48.009   56.087   27.385   44.196   28.520  196.639   98.053  140.991   45.518  253.636   84.544 -112.6449 96.01852 
1 1 1  -12   11   29 o  259.047   46.558  186.077   36.487  189.965   38.565  152.888  112.681  301.098   32.821  216.996   87.139 84.10178 93.11515 
1 1 1  -12   11   30 o  355.720   46.818  400.384   50.113  454.822   56.542  200.981  108.215  467.268   31.008  244.171   88.352 223.0972 93.63557 
1 1 1  -12   11   31 o  261.742   41.930  214.647   39.338  241.397   43.471   93.690   92.439  338.383   32.920  185.100   77.128 153.2831 83.85956 
1 1 1  -12   12    1 o  778.676   67.387  1218.40  123.175  1199.45  129.848  1388.64  389.260  776.748   42.837  780.604  127.784 -3.856506 134.7733 
1 1 1  -12   12    2 o  560.776   57.302  667.080   80.333  669.087   86.292  654.036  219.979  581.258   38.043  540.295  108.106 40.96246 114.6046 
1 1 1  -12   12    3 o  1044.92   97.676  2485.33  228.758  2473.60  242.434  2580.60  690.855  1107.96   56.071  981.878  187.133 126.0793 195.3525 
1 1 1  -12   12    4 o  379.713   46.330  355.832   54.103  411.236   62.952  199.269  105.824  456.092   35.369  303.334   85.644 152.7578 92.66009 
1 1 1  -12   12    5 o  211.061   34.661  103.574   27.586  125.093   32.814   51.719   50.939  251.701   33.407  170.421   60.742 81.27986 69.32223 
1 1 1  -12   12    6 o  532.323   56.092  595.473   73.868  594.882   79.112  599.495  206.331  548.076   36.989  516.569  105.910 31.50763 112.1832 
1 1 1  -12   12    7 o  876.980   81.453  1802.11  167.407  1832.68  179.335  1594.98  466.824  956.891   48.025  797.069  155.665 159.8220 162.9052 
1 1 1  -12   12    8 o  350.710   46.668  275.858   47.138  287.091   52.095  225.124  110.712  380.911   35.046  320.508   86.506 60.40219 93.33560 
1 1 1  -12   12    9 f  415.033   49.930  419.933   58.013  456.212   64.768  272.717  130.469  480.179   34.564  349.887   93.687 130.2927 99.85936 
1 1 1  -12   12   10 o  341.757   31.142  232.395   40.580  229.327   51.986  237.181   64.923  339.689   39.217  343.824   48.387 -4.134888 62.28389 
1 1 1  -12   12   11 o  287.984   35.343  197.455   29.856  217.366   33.767  126.124   63.912  332.376   26.033  243.591   65.718 88.78503 70.68674 
1 1 1  -12   12   12 o  631.212   26.951  763.762   59.506  730.539   69.418  855.826  115.557  608.597   29.229  653.827   45.290 -45.23010 53.90263 
1 1 1  -12   12   13 o  362.184   30.676  271.036   34.334  277.172   38.550  247.492   75.509  375.194   26.329  349.173   55.415 26.02011 61.35178 
1 1 1  -12   12   14 o  520.400   36.902  538.399   74.940  538.399   74.940   0.0000   0.0000  520.400   36.902  ?   ?       ?      ? 
1 1 1  -12   12   15 o  529.115   27.794  517.003   47.281  487.543   52.813  635.960  106.125  497.115   27.224  561.115   48.466 -63.99982 55.58834 
1 1 1  -12   12   16 o  184.483   36.575   80.738   22.841   88.632   24.063   8.8475   72.616  211.637   29.135  157.328   67.096 54.30901 73.14900 
1 1 1  -12   12   17 o  431.962   32.977  365.388   41.771  358.360   45.738  400.702  102.529  425.495   27.546  438.429   59.926 -12.93347 65.95367 
1 1 1  -12   12   18 o  493.935   30.896  410.520   43.418  376.236   46.611  635.296  119.350  435.538   27.424  552.332   55.372 -116.7947 61.79109 
1 1 1  -12   12   19 o  197.705   45.956   76.699   24.037   78.824   24.480   19.629  126.865  198.486   31.604  196.923   86.307 1.562973 91.91125 
1 1 1  -12   12   20 o  159.681   45.742   38.410   41.959   61.396   44.523 -144.1471  125.474  171.217   56.965  148.145   71.585 23.07191 91.48413 
1 1 1  -12   12   21 o  348.066   43.963  226.344   34.265  216.273   35.842  333.333  116.816  328.610   27.950  367.522   83.365 -38.91208 87.92585 
1 1 1  -12   12   22 o  206.090   48.385   58.294   21.061   54.404   21.442  164.973  112.285  160.411   35.217  251.768   90.135 -91.35695 96.77076 
1 1 1  -12   12   23 o  450.077   47.382  446.208   50.058  440.215   53.220  492.198  147.426  467.017   29.202  433.138   90.153 33.87985 94.76419 
1 1 1  -12   12   24 o  184.193   44.120   73.616   24.724   76.538   25.241   4.4418  122.800  190.478   35.255  177.908   80.891 12.57001 88.24007 
1 1 1  -12   12   25 o  243.092   46.069  163.428   33.807  170.958   35.004   58.954  130.390  289.614   30.972  196.569   86.776 93.04498 92.13766 
1 1 1  -12   12   26 o  373.820   49.198  308.219   50.600  291.835   54.817  402.588  131.556  372.960   37.663  374.680   90.902 -1.720184 98.39550 
1 1 1  -12   12   27 o  228.621   46.609  113.412   33.209  105.087   35.537  170.774   93.285  216.964   43.487  240.279   82.452 -23.31517 93.21703 
1 1 1  -12   12   28 o  211.877   40.622  124.810   32.625  135.662   35.238   59.668   86.335  253.058   35.683  170.695   72.988 82.36292 81.24330 
1 1 1  -12   12   29 o  263.275   40.501  210.198   37.083  240.029   41.561   93.706   82.130  339.286   31.390  187.264   74.672 152.0223 81.00116 
1 1 1  -12   12   30 o  149.778   41.556   45.213   27.093   46.250   28.612   36.215   84.281  142.528   45.547  157.029   69.521 -14.50090 83.11214 
1 1 1  -12   12   31 o  184.436   48.120   82.872   31.930   84.221   32.525   46.961  167.767  190.476   44.551  178.395   85.307 12.08060 96.23953 
1 1 1  -12   13    1 o  899.461   84.459  1823.54  180.622  1825.16  193.076  1812.20  511.179  953.090   51.911  845.833  160.742 107.2567 168.9170 
1 1 1  -12   13    2 o  648.685   62.075  944.052  103.644  965.143  112.656  827.819  264.467  696.702   41.436  600.668  117.032 96.03394 124.1509 
1 1 1  -12   13    3 o  965.606   49.334  1868.84  185.899  1868.84  185.899   0.0000   0.0000  965.606   49.334  ?   ?       ?      ? 
1 1 1  -12   13    4 o  645.175   57.536  795.943   91.476  774.092   96.758  979.855  280.710  624.313   39.715  666.037  108.001 -41.72430 115.0716 
1 1 1  -12   13    5 o  296.491   43.694  193.206   41.716  202.528   47.292  160.516   88.561  319.547   37.924  273.435   78.730 46.11212 87.38792 
1 1 1  -12   13    6 o  582.797   61.607  783.721   89.923  807.166   97.374  647.876  234.391  637.500   39.141  528.093  116.832 109.4071 123.2139 
1 1 1  -12   13    7 o  482.505   54.361  529.937   69.724  548.345   76.288  436.569  171.808  525.818   37.179  439.193  102.169 86.62415 108.7230 
1 1 1  -12   13    8 o  739.575   70.374  1105.40  116.121  1081.79  122.141  1327.37  374.524  736.571   42.493  742.578  134.181 -6.007813 140.7486 
1 1 1  -12   13    9 o  673.395   65.825  917.083  103.393  897.849  109.371  1078.72  317.066  671.139   41.760  675.650  124.852 -4.511292 131.6508 
1 1 1  -12   13   10 o  215.446   44.571  100.252   39.058  111.786   46.778   73.700   70.976  230.927   53.027  199.965   71.654 30.96112 89.14126 
1 1 1  -12   13   11 o  193.775   40.690   80.633   37.041  116.969   45.826   12.151   62.911  236.604   51.124  150.945   63.317 85.65904 81.38014 
1 1 1  -12   13   12 o  625.255   44.832  783.528  109.389  783.528  109.389   0.0000   0.0000  625.255   44.832  ?   ?       ?      ? 
1 1 1  -12   13   13 o  528.894   33.872  475.368   58.018  415.490   64.317  736.940  134.427  457.218   36.047  600.570   57.358 -143.3516 67.74420 
1 1 1  -12   13   14 o  411.354   32.040  331.579   39.366  326.566   43.341  355.214   94.102  406.756   27.304  415.951   57.973 -9.195221 64.08097 
1 1 1  -12   13   15 o  617.304   66.276  799.956  159.657   0.0000   0.0000  799.956  159.657  ?   ?   617.304   66.276      ?      ? 
1 1 1  -12   13   16 o  312.335   42.790  211.137   32.321  212.380   34.282  201.195   96.940  327.617   26.815  297.054   81.271 30.56320 85.58031 
1 1 1  -12   13   17 o  270.928   43.990  146.865   29.630  144.230   31.154  171.836   95.906  269.241   29.651  272.614   82.833 -3.372772 87.97958 
1 1 1  -12   13   18 o  264.619   50.476  130.732   26.740  128.387   27.325  183.750  129.906  254.043   27.562  275.195   97.117 -21.15182 100.9521 
1 1 1  -12   13   19 o  857.019   62.131  1596.83  207.792   0.0000   0.0000  1596.83  207.792  ?   ?   857.019   62.131      ?      ? 
1 1 1  -12   13   20 o  348.631   46.615  248.332   38.350  241.104   40.441  312.846  120.820  346.326   29.923  350.936   88.297 -4.610138 93.22964 
1 1 1  -12   13   21 o  144.270   39.527   37.905   19.083   41.600   19.363 -87.3931  112.750  140.118   35.399  148.422   70.685 -8.304413 79.05312 
1 1 1  -12   13   22 o  445.186   49.763  444.485   74.036  420.475   86.097  512.627  145.045  442.665   49.840  447.707   86.146 -5.041656 99.52520 
1 1 1  -12   13   23 o  159.806   41.571   52.571   23.008   57.222   23.421 -75.8068  123.049  163.501   37.504  156.110   74.202 7.391113 83.14162 
1 1 1  -12   13   24 o  257.073   50.303  148.439   32.308  146.847   33.338  173.025  131.014  268.200   31.853  245.947   95.431 22.25301 100.6064 
1 1 1  -12   13   25 o  168.368   50.405 -17.0128   13.077 -19.7981   13.141  264.026  132.004   48.191   23.257  288.545   98.091 -240.3543 100.8101 
1 1 1  -12   13   26 o  203.717   47.521   90.182   30.348   87.612   31.575  121.342  109.942  198.730   42.027  208.705   85.244 -9.974823 95.04134 
1 1 1  -12   13   27 o  302.102   45.378  203.876   37.236  193.895   39.951  269.930  102.771  304.051   33.670  300.153   84.278 3.898193 90.75513 
1 1 1  -12   13   28 o  180.889   41.276   77.662   27.127   78.348   28.905   72.599   78.556  187.041   40.753  174.736   71.792 12.30449 82.55212 
1 1 1  -12   13   29 o  254.175   42.856  198.990   43.013  229.677   48.365   82.902   94.069  326.764   37.929  181.587   76.862 145.1774 85.71131 
1 1 1  -12   13   30 o  138.231   45.605   20.900   24.891   21.953   25.174 -25.1651  166.567  109.930   42.047  166.531   80.940 -56.60143 91.20994 
1 1 1  -12   14    1 o  200.194   39.182   85.491   32.518  105.770   42.746   57.637   50.099  225.341   49.924  175.046   60.403 50.29526 78.36464 
1 1 1  -12   14    2 o  324.559   51.497  195.677   55.268  168.921   62.451  292.327  118.695  283.819   58.335  365.299   84.881 -81.47937 102.9939 
1 1 1  -12   14    3 o  780.305   72.854  1377.80  139.596  1393.05  150.255  1281.62  377.366  834.399   46.145  726.211  138.207 108.1873 145.7073 
1 1 1  -12   14    4 o  341.735   48.329  250.491   53.183  255.485   60.490  233.488  111.622  357.824   43.319  325.646   86.408 32.17862 96.65826 
1 1 1  -12   14    5 o  261.327   40.657  153.226   39.156  177.189   47.805  104.377   68.253  298.294   41.067  224.359   70.181 73.93448 81.31377 
1 1 1  -12   14    6 o  446.362   53.348  370.765   67.049  347.093   72.669  506.275  173.870  416.655   44.693  476.068   96.884 -59.41272 106.6963 
1 1 1  -12   14    7 o  301.714   44.806  214.738   47.405  249.152   56.321  131.117   87.792  353.668   40.808  249.761   79.780 103.9067 89.61147 
1 1 1  -12   14    8 o  533.555   57.388  603.032   81.024  600.985   87.857  614.675  209.557  549.137   40.998  517.973  107.205 31.16406 114.7769 
1 1 1  -12   14    9 o  177.843   39.646   61.912   34.235   97.293   44.763   12.052   53.139  215.204   53.524  140.482   58.502 74.72252 79.29219 
1 1 1  -12   14   10 o  616.919   41.622  759.963  100.203  759.963  100.203   0.0000   0.0000  616.919   41.622  ?   ?       ?      ? 
1 1 1  -12   14   11 o  553.414  127.308  753.153  269.215  753.153  269.215   0.0000   0.0000  553.414  127.308  ?   ?       ?      ? 
1 1 1  -12   14   12 f  747.554   45.045  1123.78  131.408  1123.78  131.408   0.0000   0.0000  747.554   45.045  ?   ?       ?      ? 
1 1 1  -12   14   13 o  316.759   53.178  230.567   61.052  248.897   71.383  180.632  117.818  349.372   52.357  284.147   92.576 65.22540 106.3563 
1 1 1  -12   14   14 o  193.246   41.477   73.742   20.575   75.260   21.105   44.618   92.452  195.027   27.730  191.465   78.183 3.562088 82.95491 
1 1 1  -12   14   16 o  345.813   40.493  215.462   33.126  205.158   34.865  311.120  106.229  321.374   27.800  370.252   76.066 -48.87839 80.98669 
1 1 1  -12   14   17 o  444.147  126.053  572.230  228.630   0.0000   0.0000  572.230  228.630  ?   ?   444.147  126.053      ?      ? 
1 1 1  -12   14   18 o  328.455   49.984  221.794   56.061  189.833   64.766  317.292  111.952  293.020   58.686  363.890   80.929 -70.87045 99.96779 
1 1 1  -12   14   19 o  320.934   46.649  202.428   33.292  195.689   34.732  278.694  116.839  312.384   28.491  329.483   88.842 -17.09900 93.29846 
1 1 1  -12   14   20 o  230.542   46.341  120.451   27.496  121.842   28.292   96.757  116.776  245.902   29.483  215.182   87.868 30.71928 92.68199 
1 1 1  -12   14   21 o  242.708   48.802  107.280   26.799  103.099   27.519  184.111  117.965  225.481   31.274  259.935   92.458 -34.45403 97.60390 
1 1 1  -12   14   22 o  596.935   61.493  805.721  143.247   0.0000   0.0000  805.721  143.247  ?   ?   596.935   61.493      ?      ? 
1 1 1  -12   14   23 o  205.613   42.648   97.274   27.030   99.600   28.189   70.705   95.270  220.644   32.738  190.582   78.762 30.06262 85.29509 
1 1 1  -12   14   24 f  170.266   41.773   67.508   26.586   73.663   27.283 -48.4059  118.397  184.335   39.137  156.198   73.812 28.13713 83.54585 
1 1 1  -12   14   25 f  170.481   47.689   26.817   20.315   21.605   20.694  165.314  106.669  106.970   38.647  233.993   87.196 -127.0230 95.37708 
1 1 1  -12   14   26 o  339.690   48.000  370.923   48.824  408.905   53.588  185.342  118.453  444.173   30.916  235.207   90.886 208.9668 96.00060 
1 1 1  -12   14   27 o  178.929   52.246   75.938   59.678   51.560   82.436  102.783   86.507  164.808   70.916  193.051   76.744 -28.24376 104.4927 
1 1 1  -12   14   28 o  282.400   45.944  219.013   40.228  225.726   43.916  184.002  100.288  326.741   34.442  238.059   85.188 88.68187 91.88747 
1 1 1  -12   14   29 o  115.866   42.415  -7.1706   19.224  -6.1477   19.346 -87.3985  171.337   72.693   32.668  159.039   78.288 -86.34639 84.83072 
1 1 1  -12   15    1 o  182.142   45.118   60.515   40.562   37.705   58.860   81.144   55.976  164.461   63.923  199.822   63.691 -35.36171 90.23695 
1 1 1  -12   15    2 o  152.483   39.696   34.745   30.911   56.223   49.222   20.759   39.721  172.967   59.862  131.998   52.151 40.96939 79.39285 
1 1 1  -12   15    3 o  725.881   70.425  1189.61  130.465  1203.31  141.388  1111.10  338.509  774.682   46.769  677.080  132.859 97.60242 140.8508 
1 1 1  -12   15    4 o  1012.14   97.125  2249.70  205.523  2204.87  215.340  2708.06  688.542  1044.64   52.823  979.632  186.930 65.00964 194.2497 
1 1 1  -12   15    5 o  733.699   72.032  1185.36  129.145  1183.31  138.415  1199.10  358.944  768.292   46.166  699.105  136.466 69.18719 144.0639 
1 1 1  -12   15    6 o  484.737   55.924  472.154   76.891  456.854   84.078  550.348  190.069  477.568   45.114  491.905  102.346 -14.33661 111.8485 
1 1 1  -12   15    7 o  417.177   50.888  409.385   65.999  448.541   76.258  292.518  131.744  474.100   41.218  360.253   93.055 113.8474 101.7751 
1 1 1  -12   15    8 o  596.026   43.345  711.143  100.817  711.143  100.817   0.0000   0.0000  596.026   43.345  ?   ?       ?      ? 
1 1 1  -12   15    9 o  210.539   81.868   69.733   96.580   69.733   96.580   0.0000   0.0000  210.539   81.868  ?   ?       ?      ? 
1 1 1  -12   15   10 o  336.382   69.707  261.678   96.875  253.925  149.717  267.262  127.060  330.671  104.026  342.092   92.816 -11.42114 139.4138 
1 1 1  -12   15   11 o  273.937   47.076  177.034   52.998  229.376   65.791   80.290   89.445  336.019   50.173  211.855   79.669 124.1632 94.15170 
1 1 1  -12   15   12 o  481.041  131.497  613.674  253.912  613.674  253.912   0.0000   0.0000  481.041  131.497  ?   ?       ?      ? 
1 1 1  -12   15   13 o  360.919   56.276  321.284   68.945  351.256   79.003  225.542  141.203  414.606   48.829  307.233  101.409 107.3728 112.5527 
1 1 1  -12   15   14 o  199.008   54.086   60.690   53.886   43.514   63.216  106.337  103.057  168.760   66.065  229.256   85.653 -60.49556 108.1711 
1 1 1  -12   15   15 o  352.833   50.657  223.023   35.357  214.617   36.473  354.162  144.059  328.371   28.463  377.296   97.233 -48.92535 101.3132 
1 1 1  -12   15   16 o  155.023   46.353   19.626   47.990   45.420   55.336 -58.6406   96.391  162.748   62.317  147.299   68.636 15.44899 92.70592 
1 1 1  -12   15   17 o  354.072   56.274  377.921   75.907  448.746   85.961  127.150  161.751  463.354   47.540  244.790  102.015 218.5643 112.5477 
1 1 1  -12   15   18 o  259.673   51.753  162.674   32.849  165.080   33.589  109.885  157.333  286.367   30.057  232.979   99.046 53.38800 103.5064 
1 1 1  -12   15   19 o  493.513  169.246  1187.21  393.022   0.0000   0.0000  1187.21  393.022  ?   ?   493.513  169.246      ?      ? 
1 1 1  -12   15   20 o  460.704   47.304  430.611   76.735  359.876   88.571  643.485  153.652  404.516   56.108  516.893   76.174 -112.3763 94.60761 
1 1 1  -12   15   21 o  359.275   47.798  345.032   45.425  364.730   49.470  239.147  114.696  424.434   29.867  294.117   90.810 130.3172 95.59606 
1 1 1  -12   15   22 o  183.124   44.325   29.334   17.826   23.432   18.182  175.424   90.462  108.599   36.407  257.650   80.830 -149.0510 88.65067 
1 1 1  -12   15   23 o  134.881   35.007   39.126   21.995   49.405   22.584 -150.1146   96.902  150.826   38.300  118.937   58.611 31.88902 70.01491 
1 1 1  -12   15   24 o  180.241   44.123   72.536   25.856   74.639   26.486   29.922  119.228  185.251   37.914  175.230   79.686 10.02113 88.24620 
1 1 1  -12   15   25 o  131.988   42.346   18.245   18.563   18.652   18.790   1.6626  119.951  100.503   36.747  163.474   76.305 -62.97099 84.69196 
1 1 1  -12   15   26 o  147.719   41.317   42.313   23.662   44.446   24.336   5.3890  101.254  140.790   41.484  154.648   71.466 -13.85725 82.63388 
1 1 1  -12   15   27 o  162.576   48.905   25.527   64.027  114.123   82.235 -110.8491  102.029  199.787   76.095  125.366   61.450 74.42184 97.80943 
1 1 1  -12   15   28 o  187.694   51.515   70.620   28.235   69.016   28.590  134.055  179.801  173.840   42.500  201.548   93.857 -27.70834 103.0307 
1 1 1  -12   15   29 o  205.020   50.294   97.078   32.759   92.462   33.808  167.983  132.501  199.671   44.523  210.370   90.198 -10.69977 100.5885 
1 1 1  -12   16    1 o  327.462   61.458  238.565   79.835  237.974  114.176  239.130  111.674  326.837   87.695  328.087   86.128 -1.250305 122.9169 
1 1 1  -12   16    2 o  453.310   72.327  471.075  124.901  463.857  177.442  478.164  175.843  449.073  103.392  457.548  101.169 -8.475647 144.6550 
1 1 1  -12   16    3 o  473.737   73.164  513.378  131.472  575.166  191.954  458.780  180.440  502.587  101.369  444.888  105.527 57.69995 146.3271 
1 1 1  -12   16    4 o  165.513   42.266   48.287   34.997   52.125   50.550   44.754   48.499  169.582   60.502  161.444   59.036 8.137756 84.53277 
1 1 1  -12   16    5 o  800.748   49.312  1294.22  154.094  1294.22  154.094   0.0000   0.0000  800.748   49.312  ?   ?       ?      ? 
1 1 1  -12   16    6 f  417.753   51.226  353.548   83.511  353.548   83.511   0.0000   0.0000  417.753   51.226  ?   ?       ?      ? 
1 1 1  -12   16    7 f  189.215   49.967   53.939   47.728   91.944   82.243   34.641   58.606  217.307   77.210  161.123   63.446 56.18414 99.93374 
1 1 1  -12   16    8 o  233.507   58.301  108.212   64.371  117.525  107.164  102.954   80.515  242.693   87.906  224.320   76.606 18.37383 116.6021 
1 1 1  -12   16    9 o  386.876   54.777  352.844   73.033  390.125   87.039  264.152  134.249  437.617   50.967  336.134   96.977 101.4833 109.5547 
1 1 1  -12   16   10 o  443.810   57.706  459.481   81.309  481.763   93.437  389.970  165.033  486.218   49.244  401.401  104.378 84.81631 115.4116 
1 1 1  -12   16   11 o  799.275   48.932  1306.09  152.624  1306.09  152.624   0.0000   0.0000  799.275   48.932  ?   ?       ?      ? 
1 1 1  -12   16   12 o  784.425   48.148  1261.51  147.388  1261.51  147.388   0.0000   0.0000  784.425   48.148  ?   ?       ?      ? 
1 1 1  -12   16   13 o  137.680   43.211 -14.2797   46.279 -30.7771   62.189   6.1956   69.282  125.106   57.146  150.254   64.832 -25.14812 86.42255 
1 1 1  -12   16   14 o  197.843   54.785   67.926   59.833   57.580   75.490   85.406   98.126  184.102   72.160  211.583   82.452 -27.48157 109.5693 
1 1 1  -12   16   15 o  194.788   55.481   60.590   59.578   51.305   70.299   84.258  112.241  175.655   69.386  213.920   86.593 -38.26575 110.9628 
1 1 1  -12   16   16 o  424.339   64.027  535.071   91.198  597.843  103.096  309.233  195.550  532.160   49.644  316.519  118.039 215.6412 128.0542 
1 1 1  -12   16   17 o  348.616   58.376  372.690   79.253  429.556   88.751  148.856  176.080  448.703   50.686  248.531  105.176 200.1720 116.7524 
1 1 1  -12   16   18 o  141.166   44.851   20.845   14.676   21.439   14.753 -34.9792  143.008  103.121   32.680  179.210   83.538 -76.08876 89.70276 
1 1 1  -12   16   19 o  251.933   47.565  187.117   33.533  195.422   34.134 -42.3294  179.415  311.501   28.080  192.365   90.891 119.1366 95.12930 
1 1 1  -12   16   20 o  350.893   64.709  391.219   87.416  416.871   94.482  238.706  230.377  434.288   55.750  267.498  116.794 166.7899 129.4172 
1 1 1  -12   16   21 o  359.066   64.141  373.522   50.776  374.301   51.825  354.856  253.657  428.622   30.984  289.510  124.483 139.1123 128.2811 
1 1 1  -12   16   22 o  255.430  115.776  257.978  249.086   0.0000   0.0000  257.978  249.086  ?   ?   255.430  115.776      ?      ? 
1 1 1  -12   16   23 o  166.253   35.813   59.825   22.549   59.825   22.549   0.0000   0.0000  166.253   35.813  ?   ?       ?      ? 
1 1 1  -12   16   24 o  290.479   31.734  175.359   35.973  175.359   35.973   0.0000   0.0000  290.479   31.734  ?   ?       ?      ? 
1 1 1  -12   16   25 o  146.637   48.564   7.1228   17.717   4.6006   17.872  150.633  134.812   80.689   33.792  212.585   91.060 -131.8957 97.12801 
1 1 1  -12   16   26 o  250.361   41.907  218.031   39.192  238.087   40.780 -24.5371  141.819  338.189   30.900  162.534   77.910 175.6552 83.81371 
1 1 1  -12   16   27 o  216.624   56.619   96.359   30.822   92.715   31.136  274.599  217.771  203.454   40.638  229.794  105.694 -26.33990 113.2371 
1 1 1  -12   16   28 o  157.273   42.208   57.741   26.936   62.496   27.473 -60.4554  136.967  164.711   42.469  149.835   72.955 14.87549 84.41589 
1 1 1  -12   17    1 o  140.191   56.737   20.036   48.176   20.036   48.176   0.0000   0.0000  140.191   56.737  ?   ?       ?      ? 
1 1 1  -12   17    2 o  141.180   58.211   16.006   51.875   16.006   51.875   0.0000   0.0000  141.180   58.211  ?   ?       ?      ? 
1 1 1  -12   17    3 o  301.477   89.286  205.284  112.490  205.284  112.490   0.0000   0.0000  301.477   89.286  ?   ?       ?      ? 
1 1 1  -12   17    4 o  467.881   75.415  516.379  134.590  584.466  198.383  458.316  183.200  498.153  105.341  437.609  107.947 60.54370 150.8293 
1 1 1  -12   17    5 o  548.665   85.358  745.778  177.689  763.787  256.737  729.220  246.175  553.854  122.074  543.475  119.341 10.37885 170.7168 
1 1 1  -12   17    6 o  177.262   50.001   43.341   50.860   18.441   89.351   55.276   61.860  176.198   74.764  178.327   66.412 -2.128220 100.0013 
1 1 1  -12   17    7 o  727.135   54.875  1088.99  155.711  1088.99  155.711   0.0000   0.0000  727.135   54.875  ?   ?       ?      ? 
1 1 1  -12   17    8 o  551.579   53.255  626.674  114.630  626.674  114.630   0.0000   0.0000  551.579   53.255  ?   ?       ?      ? 
1 1 1  -12   17    9 o  737.380   75.682  1307.72  148.363  1312.37  162.519  1284.48  363.469  797.580   52.215  677.181  142.073 120.3986 151.3644 
1 1 1  -12   17   10 o  374.240   53.804  349.800   75.232  453.255   96.228  187.148  120.658  467.434   52.753  281.046   93.789 186.3884 107.6071 
1 1 1  -12   17   11 o  288.946   48.371  159.648   64.350  352.279  100.789   27.091   83.609  405.106   63.755  172.786   72.763 232.3209 96.74257 
1 1 1  -12   17   12 o  243.010   54.598  131.182   63.837  203.417   88.756   53.767   91.883  295.046   76.461  190.975   77.958 104.0704 109.1955 
1 1 1  -12   17   13 o  215.062   51.052   95.243   59.320  168.834   77.884  -6.4248   91.544  268.924   72.545  161.201   71.850 107.7232 102.1034 
1 1 1  -12   17   14 o  309.800   63.501  240.518   77.137  232.846   91.923  258.780  141.821  312.076   76.153  307.524  101.637 4.552368 127.0012 
1 1 1  -12   17   15 f  182.751   55.187   40.629   68.696   51.432   86.694   22.398  112.618  182.280   75.216  183.222   80.777 -0.9419098 110.3741 
1 1 1  -12   17   16 o  151.138   47.964 -22.1482   63.259   38.305   77.739 -140.6310  108.833  168.896   70.583  133.380   64.962 35.51651 95.92742 
1 1 1  -12   17   17 o  769.230   33.982  1207.89  102.009  1207.89  102.009   0.0000   0.0000  769.230   33.982  ?   ?       ?      ? 
1 1 1  -12   17   18 o  166.066   48.409   40.811   19.961   41.618   20.110 -13.2292  164.562  139.683   36.491  192.449   89.677 -52.76646 96.81709 
1 1 1  -12   17   19 o  209.250   58.994   49.165   20.677   46.957   20.795  243.221  194.954  148.141   36.263  270.358  112.276 -122.2162 117.9873 
1 1 1  -12   17   20 o  379.910   71.762  483.219  103.939  492.851  111.883  422.519  280.864  462.358   62.009  297.462  129.437 164.8964 143.5237 
1 1 1  -12   17   21 o  374.343  168.571  1536.87  518.159   0.0000   0.0000  1536.87  518.159  ?   ?   374.343  168.571      ?      ? 
1 1 1  -12   17   22 o  322.675   30.544  214.448   38.461  214.448   38.461   0.0000   0.0000  322.675   30.544  ?   ?       ?      ? 
1 1 1  -12   17   23 o  188.587   53.405   60.863   22.508   60.131   22.618  135.382  228.272  165.984   35.959  211.189  100.576 -45.20416 106.8110 
1 1 1  -12   17   24 o  164.609   53.112   36.730   20.965   36.584   21.023   62.823  281.517  128.931   38.694  200.287   98.925 -71.35622 106.2235 
1 1 1  -12   17   25 o  264.894   56.429  195.154   37.409  193.636   37.753  277.291  277.786  304.430   31.778  225.357  108.292 79.07274 112.8588 
1 1 1  -12   17   26 o  384.322   59.162  576.542   64.595  585.505   66.326  411.544  284.584  528.209   32.177  240.435  113.864 287.7742 118.3231 
1 1 1  -12   17   27 o  185.147   54.662   94.975   78.603  152.094   85.969 -196.1066  194.071  219.319   78.831  150.975   75.746 68.34451 109.3248 
1 1 1  -12   18    1 o  302.889   63.240  212.023   79.847  227.451  116.661  198.427  109.519  312.379   90.482  293.398   88.375 18.98129 126.4800 
1 1 1  -12   18    2 f  510.517   82.283  654.386  160.191  705.815  233.467  608.637  220.202  530.518  116.003  490.515  116.727 40.00305 164.5654 
1 1 1  -12   18    3 o  549.302   87.329  777.129  182.434  855.101  268.593  710.350  248.570  576.170  123.189  522.434  123.815 53.73602 174.6588 
1 1 1  -12   18    4 o  257.020   61.208  147.189   72.084  143.773  112.996  149.533   93.605  256.070   90.553  257.971   82.377 -1.901245 122.4164 
1 1 1  -12   18    5 o  622.580   64.627  822.783  157.016  822.783  157.016   0.0000   0.0000  622.580   64.627  ?   ?       ?      ? 
1 1 1  -12   18    6 o  199.064   52.743   74.421   54.869   62.651   88.255   81.836   70.054  196.889   77.753  201.239   71.285 -4.350327 105.4851 
1 1 1  -12   18    7 o  354.085   62.750  301.682   86.558  323.989  115.312  272.888  131.009  374.611   81.220  333.559   95.674 41.05200 125.4996 
1 1 1  -12   18    8 o  260.429   59.938  158.332   70.216  173.409   96.057  141.032  102.897  271.867   82.963  248.991   86.529 22.87616 119.8755 
1 1 1  -12   18    9 o  406.232   60.634  399.944   96.741  568.370  137.420  234.466  136.212  508.690   69.225  303.775   99.569 204.9152 121.2688 
1 1 1  -12   18   10 o  351.984   52.302  262.432   77.840  531.048  122.851   82.259  100.614  494.161   63.706  209.807   82.967 284.3546 104.6035 
1 1 1  -12   18   11 o  248.845   61.376  147.703   72.708  138.070   96.350  160.443  110.807  241.561   83.744  256.129   89.749 -14.56827 122.7516 
1 1 1  -12   18   12 o  205.509   53.572   73.797   61.931  155.891   90.861   2.5624   84.638  252.728   81.209  158.290   69.894 94.43849 107.1445 
1 1 1  -12   18   13 o  304.900   55.525  247.642   76.811  338.338   97.685  100.737  124.324  388.874   64.371  220.927   90.489 167.9467 111.0493 
1 1 1  -12   18   14 o  368.578   64.914  377.368   92.274  405.292  109.517  309.034  171.321  421.947   66.511  315.209  111.497 106.7386 129.8275 
1 1 1  -12   18   15 o  285.832   56.116  227.844   82.245  345.995  102.829   18.054  137.022  380.832   71.825  190.833   86.240 189.9986 112.2322 
1 1 1  -12   18   16 o  182.074   57.278   10.698   74.588 -23.6399   88.716   93.495  137.760  148.015   67.851  216.133   92.301 -68.11777 114.5565 
1 1 1  -12   18   17 o  359.330   68.939  372.733   91.852  373.303  101.935  370.270  211.814  402.821   64.846  315.839  121.677 86.98187 137.8780 
1 1 1  -12   18   18 o  285.816   58.291  265.587   86.541  334.057   96.234 -23.8305  197.853  373.189   68.608  198.442   94.256 174.7465 116.5814 
1 1 1  -12   18   19 o  268.253  118.145  291.788  240.317   0.0000   0.0000  291.788  240.317  ?   ?   268.253  118.145      ?      ? 
1 1 1  -12   18   20 o  295.855   32.453  180.695   37.469  180.695   37.469   0.0000   0.0000  295.855   32.453  ?   ?       ?      ? 
1 1 1  -12   18   21 o  187.178   48.333   77.606   25.565   79.787   25.720 -102.0483  233.432  192.454   35.556  181.902   89.889 10.55231 96.66587 
1 1 1  -12   18   22 o  157.116   46.639   41.829   19.891   42.994   19.982 -84.9703  208.421  139.876   36.294  174.356   85.928 -34.47948 93.27846 
1 1 1  -12   18   23 o  135.432   45.427   20.514   16.947   21.560   16.995 -163.2211  225.201  103.168   35.196  167.696   83.759 -64.52773 90.85343 
1 1 1  -12   18   24 o  234.750   52.149  144.702   32.263  144.817   32.564  138.568  237.768  263.292   31.694  206.208   99.367 57.08350 104.2988 
1 1 1  -12   18   25 o  141.113   48.102   17.465   19.794   17.320   19.898   31.236  194.231   99.208   37.516  183.018   88.587 -83.81040 96.20372 
1 1 1  -12   18   26 o  274.144   70.216  310.337   95.398  292.111  105.080  395.797  227.537  301.199   85.448  247.089  111.445 54.10970 140.4328 
1 1 1  -12   19    1 o  202.528   52.392   74.519   54.451  119.084   84.668   43.086   71.107  231.855   78.560  173.201   69.339 58.65317 104.7832 
1 1 1  -12   19    2 o  279.563   60.050  174.041   72.517  257.295  113.376  116.400   94.338  327.709   87.145  231.417   82.643 96.29150 120.1004 
1 1 1  -12   19    3 f  383.813   73.964  378.796  113.478  391.046  168.176  368.557  153.755  386.824  107.528  380.801  101.589 6.023010 147.9276 
1 1 1  -12   19    4 o  180.096   50.911   43.278   49.708   77.483   93.173   29.669   58.771  205.735   80.297  154.457   62.612 51.27837 101.8227 
1 1 1  -12   19    5 o  309.415   92.579  237.985  120.482   0.0000   0.0000  237.985  120.482  ?   ?   309.415   92.579      ?      ? 
1 1 1  -12   19    6 f  295.393   73.745  210.703   96.980  276.493  189.003  187.191  112.989  314.753  116.310  276.033   90.695 38.72009 147.4907 
1 1 1  -12   19    7 o  577.224   90.127  803.887  203.017  803.887  203.017   0.0000   0.0000  577.224   90.127  ?   ?       ?      ? 
1 1 1  -12   19    8 o  219.066   58.781  102.826   68.772  102.776  105.628  102.862   90.606  220.940   85.699  217.193   80.476 3.746994 117.5619 
1 1 1  -12   19    9 f  631.099   61.316  872.226  151.010  872.226  151.010   0.0000   0.0000  631.099   61.316  ?   ?       ?      ? 
1 1 1  -12   19   10 o  194.882   56.678   64.104   69.268   64.805  100.540   63.470   95.567  196.301   81.001  193.463   79.300 2.838242 113.3563 
1 1 1  -12   19   11 o  296.293   67.416  239.192   87.829  240.503  112.411  237.136  140.720  302.823   89.138  289.763  101.163 13.06009 134.8314 
1 1 1  -12   19   12 o  179.763   54.052   25.828   67.850   95.893  103.362 -27.2231   89.941  210.849   83.866  148.676   68.214 62.17235 108.1049 
1 1 1  -12   19   13 o  177.063   54.522   20.337   72.769 -33.8186  102.669   75.005  103.154  155.224   71.814  198.903   82.058 -43.67880 109.0446 
1 1 1  -12   19   14 o  447.846   66.329  618.795  108.072  723.641  128.709  368.192  198.988  571.287   57.733  324.405  119.437 246.8820 132.6585 
1 1 1  -12   19   15 o  330.537   57.964  334.116   90.394  442.989  109.019   94.585  161.704  440.479   63.423  220.595   97.041 219.8843 115.9287 
1 1 1  -12   19   16 o  449.829   72.684  664.947  114.415  704.591  127.836  505.322  256.518  559.806   58.517  339.853  133.070 219.9534 145.3682 
1 1 1  -12   19   17 o  315.585   95.590  531.601  215.183  521.836  371.368  536.536  264.021  294.470  136.357  336.701  134.001 -42.23044 191.1798 
1 1 1  -12   19   18 o  220.210  109.491 -19.8823  366.964 -19.8823  366.964   0.0000   0.0000  220.210  109.491  ?   ?       ?      ? 
1 1 1  -12   19   19 o  218.782   80.880  134.599   91.413  134.599   91.413   0.0000   0.0000  218.782   80.880  ?   ?       ?      ? 
1 1 1  -12   19   20 o  325.489   72.514  357.909   89.743  335.104   95.152  541.549  270.017  359.648   70.317  291.331  126.841 68.31723 145.0283 
1 1 1  -12   19   21 o  228.762   45.425  161.750   33.230  168.204   33.612 -117.7737  221.212  284.940   30.228  172.583   85.675 112.3570 90.85078 
1 1 1  -12   19   22 o  150.729   47.988   30.450   17.785   30.737   17.850  -9.0407  209.321  119.050   35.638  182.408   89.115 -63.35722 95.97619 
1 1 1  -12   19   23 o  447.795   30.688  417.390   53.626  417.390   53.626   0.0000   0.0000  447.795   30.688  ?   ?       ?      ? 
1 1 1  -12   19   24 o  223.703   48.482  138.129   32.336  139.942   32.763   69.979  200.886  257.868   32.558  189.538   91.334 68.32932 96.96366 
1 1 1  -12   19   25 o  197.367   57.051  123.786   67.324  133.161   71.895   57.014  191.883  212.424   72.390  182.311   88.198 30.11273 114.1016 
1 1 1  -12   20    1 o  176.753   70.000   52.224   71.719   0.0000   0.0000   52.224   71.719  ?   ?   176.753   70.000      ?      ? 
1 1 1  -12   20    2 o  ?   ?  -93.1837   20.918   0.0000   0.0000 -93.1837   20.918  ?   ?   ?   ?       ?      ? 
1 1 1  -12   20    3 o  167.956   68.455   39.873   70.710   0.0000   0.0000   39.873   70.710  ?   ?   167.956   68.455      ?      ? 
1 1 1  -12   20    4 o  398.390  123.749  494.451  212.627  494.451  212.627   0.0000   0.0000  398.390  123.749  ?   ?       ?      ? 
1 1 1  -12   20    5 o  246.699   64.844  143.383   79.361  171.646  140.281  130.079   96.243  259.383   99.245  234.014   83.483 25.36884 129.6882 
1 1 1  -12   20    6 o  215.584   60.993   76.016   71.154  166.836  135.175   41.206   83.686  255.508   97.503  175.661   73.306 79.84712 121.9863 
1 1 1  -12   20    7 o  123.297   42.361 -99.7690   50.403 -30.1454  101.261 -122.7000   58.113  157.211   72.222   89.383   44.292 67.82729 84.72178 
1 1 1  -12   20    8 o  241.672   55.214   65.730   65.238  315.075  124.056 -29.5850   76.701  346.190   90.728  137.154   62.952 209.0369 110.4290 
1 1 1  -12   20    9 o  543.292   69.094  875.962  132.851  1147.09  171.209  465.666  210.614  717.212   61.171  369.372  123.910 347.8406 138.1870 
1 1 1  -12   20   10 o  148.397   48.622 -32.1250   63.870 -39.8589  109.358 -28.1213   78.684  158.079   73.475  138.716   63.702 19.36304 97.24473 
1 1 1  -12   20   11 o  274.849   57.473  181.175   80.532  344.065  115.215   25.570  112.609  368.365   82.232  181.334   80.316 187.0309 114.9468 
1 1 1  -12   20   12 o  367.608   64.995  401.690   98.762  466.880  120.271  266.713  173.060  447.234   68.912  287.982  110.221 159.2519 129.9906 
1 1 1  -12   20   13 o  202.574   60.300   79.568   80.731   93.367  102.114   56.565  131.842  205.990   82.870  199.158   87.617 6.832306 120.5994 
1 1 1  -12   20   14 o  168.526   54.842 -19.5270   76.602 -51.5310   92.794   48.940  135.725  140.723   66.142  196.330   87.498 -55.60765 109.6849 
1 1 1  -12   20   15 o  250.504   68.593  179.685   89.210  171.250  102.832  205.348  179.357  248.394   86.492  252.613  106.486 -4.219299 137.1864 
1 1 1  -12   20   16 o  256.275  121.277  296.095  321.693  296.095  321.693   0.0000   0.0000  256.275  121.277  ?   ?       ?      ? 
1 1 1  -12   20   17 o  215.932   62.940  133.818   87.091  158.242   98.311   44.766  187.725  233.395   84.249  198.469   93.529 34.92566 125.8794 
1 1 1  -12   20   18 o  192.245   57.246   91.922   75.680  124.299   82.198 -88.2741  193.918  211.453   76.928  173.037   84.797 38.41568 114.4918 
1 1 1  -12   20   19 o  171.096   55.933   38.445   63.698   40.462   67.085   19.963  203.060  153.770   64.988  188.423   91.052 -34.65347 111.8658 
1 1 1  -12   20   20 o  160.679   55.974 -19.0769   63.531 -29.4589   66.268   98.909  223.396  120.299   56.335  201.058   96.741 -80.75921 111.9487 
1 1 1  -12   20   21 o  257.898   54.414  185.438   35.022  184.954   35.346  211.526  259.517  298.423   30.351  217.372  104.510 81.05060 108.8280 
1 1 1  -12   20   22 o  201.082   44.639  109.332   27.460  112.947   27.698 -98.6789  210.100  232.944   30.469  169.220   83.918 63.72452 89.27830 
1 1 1  -12   20   23 o  271.727   61.207  188.666   63.345  188.666   63.345   0.0000   0.0000  271.727   61.207  ?   ?       ?      ? 
1 1 1  -12   21    1 o  355.293   73.529  338.400  110.801  530.820  179.370  219.669  140.898  431.507  107.037  279.079  100.841 152.4283 147.0578 
1 1 1  -12   21    2 o  357.393   75.051  346.883  112.467  529.861  185.287  240.139  141.520  424.981  110.641  289.806  101.434 135.1756 150.1012 
1 1 1  -12   21    3 o  203.621   58.091   49.999   66.706  174.380  125.931   1.4874   78.646  255.881   94.863  151.361   67.077 104.5199 116.1822 
1 1 1  -12   21    4 o  229.268   63.344  104.548   78.489  206.842  138.493   56.147   95.265  271.187   99.672  187.349   78.201 83.83757 126.6882 
1 1 1  -12   21    5 o  160.361   50.409   7.9919   61.685 -106.0294  130.638   40.709   69.978  155.537   74.614  165.186   67.800 -9.648438 100.8175 
1 1 1  -12   21    6 o  289.105  113.066  268.518  185.024  268.518  185.024   0.0000   0.0000  289.105  113.066  ?   ?       ?      ? 
1 1 1  -12   21    7 o  217.297   63.793   72.704   77.349  200.481  158.872   33.007   88.552  262.975  104.172  171.618   73.664 91.35745 127.5863 
1 1 1  -12   21    8 o  360.932   99.456  371.106  144.570  371.106  144.570   0.0000   0.0000  360.932   99.456  ?   ?       ?      ? 
1 1 1  -12   21    9 o  419.021   81.145  441.245  127.893  441.245  127.893   0.0000   0.0000  419.021   81.145  ?   ?       ?      ? 
1 1 1  -12   21   10 f  314.688   69.814  236.746   86.784  165.380  100.237  450.367  173.422  249.591   85.474  379.785  110.410 -130.1936 139.6286 
1 1 1  -12   21   11 o  207.948   56.605  102.434   65.857  123.013   82.310   65.822  109.788  221.743   77.372  194.153   82.644 27.59074 113.2095 
1 1 1  -12   21   12 o  309.791   68.507  274.461   86.128  259.829   99.937  316.707  169.808  315.069   80.872  304.513  110.601 10.55588 137.0140 
1 1 1  -12   21   13 o  189.575   93.217 -145.1174  240.698 -145.1174  240.698   0.0000   0.0000  189.575   93.217  ?   ?       ?      ? 
1 1 1  -12   21   14 o  217.357  104.911   52.888  267.616   52.888  267.616   0.0000   0.0000  217.357  104.911  ?   ?       ?      ? 
1 1 1  -12   21   15 o  213.846   63.974  116.477   82.943   97.306   95.705  174.328  166.250  197.355   79.935  230.336   99.905 -32.98071 127.9477 
1 1 1  -12   21   16 o  203.747   58.890  108.643   67.837  102.889   77.418  127.668  140.778  197.461   74.146  210.033   91.513 -12.57265 117.7805 
1 1 1  -12   21   17 o  167.757   50.819   54.583   57.624   69.342   66.408   9.6000  115.937  171.907   67.586  163.607   75.911 8.299805 101.6386 
1 1 1  -12   21   18 f  174.500   54.820   26.771   60.210  -8.9401   67.417  167.520  133.842  129.282   59.221  219.719   92.270 -90.43663 109.6392 
1 1 1  -12   21   19 o  262.408   57.127  243.281   72.213  265.880   78.460  118.092  184.668  323.127   64.482  201.690   94.320 121.4369 114.2545 
1 1 1  -12   21   20 o  187.652   59.443   69.304   61.231   57.865   64.360  178.453  198.809  161.777   65.541  213.528   99.187 -51.75090 118.8858 
1 1 1  -12   21   21 o  184.753   56.715   75.432   54.287   69.572   56.891  135.081  181.503  167.894   63.450  201.612   94.024 -33.71793 113.4303 
1 1 1  -12   21   22 o  192.709   55.256  104.196   55.155  105.822   57.988   88.764  178.632  197.364   64.979  188.055   89.391 9.308838 110.5128 
1 1 1  -12   22    1 o  112.659   39.026 -102.5251   48.706 -65.8808   90.208 -117.6033   57.865  135.599   64.184   89.719   44.412 45.87954 78.05172 
1 1 1  -12   22    2 o  185.670   52.576   6.8928   62.597  167.019  106.166 -78.4379   77.501  250.636   87.848  120.704   57.789 129.9323 105.1517 
1 1 1  -12   22    3 o  154.733   50.254 -33.5528   56.430   59.282  119.669 -60.0988   63.992  196.846   85.070  112.620   53.525 84.22562 100.5076 
1 1 1  -12   22    4 o  137.032   46.718 -81.5369   55.769  -3.3032  121.127 -102.5821   62.823  175.123   79.900   98.942   48.439 76.18084 93.43669 
1 1 1  -12   22    5 o  234.042   66.857  101.609   86.110  263.001  166.378   42.561  100.637  286.788  108.476  181.295   78.182 105.4928 133.7138 
1 1 1  -12   22    6 f  284.210   76.497  263.952  119.612  220.249  208.049  285.529  146.188  263.099  112.921  305.322  103.229 -42.22308 152.9949 
1 1 1  -12   22    7 o  197.747   62.049   56.716   82.923   33.635  189.371   62.192   92.236  209.480   97.132  186.014   77.237 23.46648 124.0975 
1 1 1  -12   22    8 o  190.524   62.390 -22.5381   72.955  201.598  196.281 -58.4659   78.585  254.290  109.424  126.758   59.972 127.5312 124.7805 
1 1 1  -12   22    9 o  147.486   47.814 -44.7665   63.765 -112.4834   84.787   43.401   96.746  117.531   57.264  177.441   76.587 -59.91018 95.62812 
1 1 1  -12   22   10 o  143.849   65.323  -9.6506   79.762  -9.6506   79.762   0.0000   0.0000  143.849   65.323  ?   ?       ?      ? 
1 1 1  -12   22   11 o  178.989   88.362 -171.3047  223.639 -171.3047  223.639   0.0000   0.0000  178.989   88.362  ?   ?       ?      ? 
1 1 1  -12   22   12 o  173.736   59.851 -37.9067   95.154 -26.6817  246.971 -39.8635  103.115  199.944   97.487  147.528   69.460 52.41649 119.7016 
1 1 1  -12   22   13 o  231.083   65.773  139.159   82.333   87.465   96.266  279.977  158.885  191.072   79.086  271.094  105.119 -80.02171 131.5470 
1 1 1  -12   22   14 o  254.007   66.265  195.120   76.809  169.354   86.692  289.203  165.653  241.805   79.442  266.210  106.081 -24.40511 132.5303 
1 1 1  -12   22   15 o  173.579   53.514   48.697   59.818   28.398   69.049  109.752  119.753  148.275   64.349  198.884   85.524 -50.60945 107.0288 
1 1 1  -12   22   16 o  139.021   44.999   3.4156   50.541   13.076   58.383 -25.4722  100.961  132.681   58.340  145.360   68.528 -12.67924 89.99789 
1 1 1  -12   22   17 o  152.300   49.431  -6.3281   55.408 -36.5290   63.223   93.684  115.051  114.927   54.195  189.673   82.683 -74.74595 98.86149 
1 1 1  -12   22   18 o  241.066   52.689  196.496   66.003  236.901   74.067   40.656  145.461  304.108   64.416  178.024   83.398 126.0836 105.3783 
1 1 1  -12   22   19 o  144.968   48.028   3.0339   55.952   11.040   61.126 -38.3466  138.965  132.592   58.929  157.345   75.857 -24.75378 96.05701 
1 1 1  -12   22   20 o  185.417   54.141   92.300   55.263   97.561   58.251   44.944  174.776  190.417   65.159  180.417   86.484 9.999695 108.2830 
1 1 1  -12   23    1 o  190.787   57.797   62.178   75.399   65.986   94.952   55.678  124.046  187.782   78.201  193.792   85.128 -6.009430 115.5949 
1 1 1  -12   23    2 o  166.093   51.886   19.104   66.525   39.433   91.708  -3.4739   96.646  173.445   74.715  158.740   72.016 14.70529 103.7722 
1 1 1  -12   23    3 o  146.383   47.442 -25.6003   61.962   15.548   89.865 -62.8907   85.549  161.738   71.687  131.027   62.160 30.71138 94.88412 
1 1 1  -12   23    4 o  197.885   60.986   6.7928   78.455  218.444  158.633 -61.7407   90.268  260.807  103.846  134.963   63.976 125.8445 121.9717 
1 1 1  -12   23    5 o  301.124   82.389  340.023  135.173  384.546  225.229  314.958  168.992  302.477  122.586  299.772  110.112 2.705170 164.7788 
1 1 1  -12   23    6 o  177.912   86.445 -104.5621  189.595 -104.5621  189.595   0.0000   0.0000  177.912   86.445  ?   ?       ?      ? 
1 1 1  -12   23    7 o  287.470  125.589  407.263  266.733  407.263  266.733   0.0000   0.0000  287.470  125.589  ?   ?       ?      ? 
1 1 1  -12   23    8 o  259.935  118.478  309.348  265.496  309.348  265.496   0.0000   0.0000  259.935  118.478  ?   ?       ?      ? 
1 1 1  -12   23    9 o  324.360  143.461  807.998  358.037  807.998  358.037   0.0000   0.0000  324.360  143.461  ?   ?       ?      ? 
1 1 1  -12   23   10 o  182.800   54.763   54.969   74.518  133.502   99.408 -45.7630  112.585  215.881   83.304  149.718   71.109 66.16277 109.5270 
1 1 1  -12   23   11 o  171.635   55.126   24.010   75.840 -10.3888   93.362   90.748  130.042  147.824   68.423  195.447   86.451 -47.62227 110.2517 
1 1 1  -12   23   12 o  294.547   74.542  236.391   89.452  153.165   99.040  604.875  208.396  223.489   83.875  365.605  123.253 -142.1163 149.0848 
1 1 1  -12   23   13 f  160.094   50.685   30.368   65.436   53.551   80.129 -16.0434  113.376  165.666   70.563  154.522   72.778 11.14403 101.3690 
1 1 1  -12   23   14 o  184.690   55.024   85.527   64.966   90.344   76.088   72.570  124.800  185.478   72.515  183.901   82.779 1.577240 110.0490 
1 1 1  -12   23   15 o  220.436   58.505  154.012   67.843  161.530   77.750  130.024  138.885  237.001   75.013  203.871   89.801 33.13013 117.0097 
1 1 1  -12   23   16 o  176.725   55.765   54.573   67.783   34.403   77.585  119.611  139.318  153.969   67.487  199.481   88.795 -45.51219 111.5301 
1 1 1  -12   23   17 o  220.600   56.200  166.932   75.014  211.877   83.900 -12.1630  167.480  270.336   76.234  170.864   82.597 99.47171 112.4006 
1 1 1  -12   23   18 o  176.392   56.707   60.420   65.696   53.919   70.324  104.988  184.143  159.446   66.917  193.338   91.569 -33.89252 113.4142 
1 1 1  -12   23   19 o  336.137   74.365  351.799   79.727  306.168   83.538  817.996  267.016  341.203   65.115  331.070  133.719 10.13229 148.7301 
1 1 1  -12   24    1 o  274.948   99.056  254.708  135.814  254.708  135.814   0.0000   0.0000  274.948   99.056  ?   ?       ?      ? 
1 1 1  -12   24    2 o  236.942  103.366  195.536  180.109  195.536  180.109   0.0000   0.0000  236.942  103.366  ?   ?       ?      ? 
1 1 1  -12   24    3 o  314.301   69.697  352.763  112.203  481.117  147.626  177.200  172.654  397.846   96.154  230.756  100.921 167.0899 139.3933 
1 1 1  -12   24    4 o  147.140   48.768 -30.2313   70.649 -46.9135  103.062 -15.4428   97.036  144.367   68.413  149.912   69.518 -5.544846 97.53521 
1 1 1  -12   24    5 o  149.422   51.497 -60.9462   77.770 -111.6692  181.044 -49.4688   86.120  167.068   81.885  131.775   62.472 35.29315 102.9948 
1 1 1  -12   24    6 o  212.044   66.502  131.189  111.111   40.636  222.557  161.253  128.235  199.398   96.098  224.689   91.951 -25.29092 133.0032 
1 1 1  -12   24    7 o  166.120   55.811  -7.9763   90.553 -151.4022  209.114   25.125  100.460  168.713   83.676  163.528   73.877 5.185883 111.6219 
1 1 1  -12   24    8 f  153.994   54.610 -113.9698   81.308   66.300  205.839 -147.2974   88.505  198.033   94.640  109.955   54.518 88.07737 109.2196 
1 1 1  -12   24    9 o  174.584   59.593  -3.6089   86.940  119.191  221.506 -25.9712   94.525  206.911   98.687  142.256   66.829 64.65477 119.1853 
1 1 1  -12   24   10 o  153.516   50.807 -15.7593   74.281   39.212  116.560 -53.3515   96.389  171.695   78.353  135.336   64.701 36.35968 101.6141 
1 1 1  -12   24   11 o  147.709   49.273 -47.2085   72.646   57.669  114.294 -118.3005   94.101  176.600   79.381  118.819   58.397 57.78087 98.54691 
1 1 1  -12   24   12 o  186.497   58.666   79.556   88.017  121.981  118.557   27.459  131.379  201.306   85.789  171.688   80.044 29.61806 117.3320 
1 1 1  -12   24   13 o  201.894   59.987  112.845   91.044  203.225  116.544 -28.6834  145.840  240.838   90.862  162.949   78.345 77.88884 119.9743 
1 1 1  -12   24   14 o  132.490   46.420 -138.4157   80.333 -185.9861   99.644 -50.0882  135.779  110.608   55.316  154.370   74.563 -43.76205 92.84090 
1 1 1  -12   24   15 o  171.035   54.008   46.193   81.024  107.854   94.236 -128.6286  158.676  192.836   78.860  149.234   73.814 43.60153 108.0156 
1 1 1  -12   24   16 o  136.363   48.269 -117.0729   79.961 -127.8365   89.983 -76.6685  174.340  112.457   55.617  160.269   78.909 -47.81235 96.53884 
1 1 1  -12   24   17 o  169.880   57.012   39.923   87.824   44.396   96.066   17.163  216.715  161.141   72.572  178.618   87.949 -17.47655 114.0250 
1 1 1  -12   25    1 o  274.042   71.005  310.713  112.282  363.221  136.028  198.446  198.903  324.540   98.658  223.544  102.146 100.9962 142.0109 
1 1 1  -12   25    2 o  194.803   63.922   51.317  115.231  211.946  180.014 -60.1940  149.987  229.227  101.538  160.378   77.681 68.84865 127.8449 
1 1 1  -12   25    3 o  132.640   45.533 -143.5838   79.420   10.191  105.479 -344.8912  120.685  158.793   73.228  106.487   54.138 52.30631 91.06676 
1 1 1  -12   25    4 o  194.857   58.813   67.171   88.660  211.126  126.096 -73.5767  124.684  243.180   93.827  146.534   70.940 96.64581 117.6263 
1 1 1  -12   25    5 o  150.724   50.688 -38.8871   81.139   12.165  119.780 -82.1801  110.302  164.557   76.622  136.891   66.379 27.66666 101.3765 
1 1 1  -12   25    6 o  170.232   55.443   31.793   85.344   9.4080  130.206   48.654  113.004  167.153   78.496  173.312   78.320 -6.158966 110.8854 
1 1 1  -12   25    7 o  132.707   48.366 -230.6790   79.723 -32.0027  186.031 -275.3747   88.236  174.454   84.960   90.961   46.249 83.49311 96.73242 
1 1 1  -12   25    8 o  157.426   54.525 -47.3115   92.020 -107.5960  221.000 -34.6679  101.210  172.306   85.553  142.547   67.621 29.75894 109.0504 
1 1 1  -12   25    9 o   91.728   46.583 -263.6003   87.629   0.0000   0.0000 -263.6003   87.629  ?   ?    91.728   46.583      ?      ? 
1 1 1  -12   25   10 o  139.454   49.095 -126.0156   86.643 -103.3320  172.694 -133.6463  100.162  159.161   78.396  119.747   59.119 39.41398 98.18901 
1 1 1  -12   25   11 o  296.501   76.171  368.288  122.834  582.533  187.497  207.197  162.582  368.023  116.489  224.978   98.175 143.0452 152.3419 
1 1 1  -12   25   12 o  156.682   52.790 -54.5038   94.976 -216.7910  142.061   76.660  127.714  130.640   65.439  182.724   82.854 -52.08478 105.5797 
1 1 1  -12   25   13 o  149.229   51.645 -87.5112   97.009 -148.3200  126.752  -1.5259  150.725  131.602   65.249  166.856   80.071 -35.25400 103.2896 
1 1 1  -12   25   14 o  144.375   51.456 -177.8364   98.357 -259.0796  115.668   34.300  186.908  110.179   55.680  178.571   86.548 -68.39198 102.9113 
1 1 1  -12   26    1 o  233.974   69.810  172.501   96.384  102.624  111.509  378.946  191.667  192.760   82.699  275.188  112.493 -82.42755 139.6207 
1 1 1  -12   26    2 o  172.477   56.067   6.0575   99.291  124.991  119.554 -258.3639  178.263  202.138   86.146  142.817   71.782 59.32063 112.1334 
1 1 1  -12   26    3 o  173.735   57.291   18.280  101.368  100.232  127.385 -123.2115  167.380  192.720   85.388  154.750   76.405 37.97061 114.5813 
1 1 1  -12   26    4 o  173.978   58.765   9.6358  111.274 -15.8829  177.541   26.145  142.802  174.087   84.369  173.869   81.826 0.2174377 117.5308 
1 1 1  -12   26    5 o  169.495   57.571 -69.0724   97.319  182.389  174.410 -182.7624  117.273  216.432   97.599  122.557   61.091 93.87512 115.1422 
1 1 1  -12   26    6 o  223.636   71.145  209.373  126.168  257.755  222.481  186.438  153.180  227.164  105.314  220.109   95.683 7.055191 142.2898 
1 1 1  -12   26    7 o  159.273   55.771 -80.3778   89.920  108.162  202.127 -126.8984  100.403  197.842   94.336  120.704   59.516 77.13811 111.5414 
1 1 1  -12   26    8 o  199.746   65.429  121.506  113.441  162.682  219.731  106.543  132.458  206.710   98.507  192.783   86.140 13.92697 130.8578 
1 1 1  -12   26    9 o  182.428   60.882   59.631  115.023 -39.5876  210.226  102.024  137.416  174.343   85.994  190.513   86.205 -16.16994 121.7630 
1 1 1  -12   26   10 o  134.546   48.384 -284.0039  113.567 -199.3714  200.021 -324.2661  137.961  152.917   76.745  116.174   58.942 36.74220 96.76747 
1 1 1  -12   26   11 o  253.265   80.020  430.892  181.431  146.819  269.341  666.865  245.481  197.878   97.552  308.652  126.872 -110.7740 160.0399 
1 1 1  -12   27    1 o  184.233   58.723   86.379   87.366   99.692  102.423   50.819  167.393  187.588   79.836  180.879   86.137 6.709045 117.4451 
1 1 1  -12   27    2 o  184.994   58.762   89.486   88.578  111.335  103.785   30.883  169.975  192.764   81.116  177.223   85.042 15.54083 117.5243 
1 1 1  -12   27    3 o  165.252   55.338   12.681   95.465   49.837  115.334 -68.1678  170.129  170.107   77.749  160.396   78.768 9.711609 110.6768 
1 1 1  -12   27    4 o  152.166   52.065 -52.1094   96.239   6.6753  129.303 -125.1169  144.099  161.759   76.647  142.574   70.487 19.18515 104.1304 
1 1 1  -12   27    5 o  163.913   55.116 -28.4762   97.117  127.090  145.153 -154.5524  130.673  195.941   88.635  131.885   65.535 64.05672 110.2317 
1 1 1  -12   27    6 o  337.690   86.419  521.457  149.202  256.406  178.190  1143.18  272.909  227.349  100.849  448.030  140.367 -220.6809 172.8390 
1 1 1  -11    0    1 o  425.550   17.397  358.641   40.544  358.641   40.544  358.641   40.544  425.550   24.603  425.550   24.603 0.000000 0.000000 
1 1 1  -11    0    2 o  552.992   18.797  604.372   57.064  604.372   57.064  604.372   57.064  552.992   26.583  552.992   26.583 -0.000000 0.000000 
1 1 1  -11    0    3 o  922.716   34.744  1710.07  175.780  1710.07  175.780  1710.07  175.780  922.716   49.135  922.716   49.135 0.000000 0.000000 
1 1 1  -11    0    4 o  305.685   16.659  186.443   27.720  186.443   27.720  186.443   27.720  305.685   23.559  305.685   23.559 -0.000000 0.000000 
1 1 1  -11    0    5 o   41.375   17.283   3.7601   6.7769   3.7601   6.7769   3.7601   6.7769   41.375   24.442   41.375   24.442 0.000000 0.000000 
1 1 1  -11    0    6 o  259.466   16.653  135.219   23.395  135.219   23.395  135.219   23.395  259.466   23.551  259.466   23.551 -0.000000 0.000000 
1 1 1  -11    0    7 o  1125.43   27.718  2513.45  171.686  2513.45  171.686  2513.45  171.686  1125.43   39.200  1125.43   39.200 0.000000 0.000000 
1 1 1  -11    0    8 f  410.051   17.396  333.193   39.043  333.193   39.043  333.193   39.043  410.051   24.602  410.051   24.602 0.000000 0.000000 
1 1 1  -11    0    9 o  813.809   22.464  1307.56  100.544  1307.56  100.544  1307.56  100.544  813.809   31.769  813.809   31.769 0.000000 0.000000 
1 1 1  -11    0   10 f  734.390   30.483  1075.92  122.571  1075.92  122.571  1075.92  122.571  734.390   43.109  734.390   43.109 0.000000 0.000000 
1 1 1  -11    0   11 o  582.166   19.262  668.566   61.578  668.566   61.578  668.566   61.578  582.166   27.241  582.166   27.241 0.000000 0.000000 
1 1 1  -11    0   12 o  466.937   18.020  430.742   46.121  430.742   46.121  430.742   46.121  466.937   25.484  466.937   25.484 -0.000000 0.000000 
1 1 1  -11    0   13 o  567.139   19.134  634.273   59.577  634.273   59.577  634.273   59.577  567.139   27.059  567.139   27.059 -0.000000 0.000000 
1 1 1  -11    0   14 o  377.270   17.442  282.101   35.959  282.101   35.959  282.101   35.959  377.270   24.666  377.270   24.666 0.000000 0.000000 
1 1 1  -11    0   15 o  709.323   29.919  1000.80  116.169  1000.80  116.169  1000.80  116.169  709.323   42.312  709.323   42.312 -0.000000 0.000000 
1 1 1  -11    0   16 o  628.422   20.115  778.436   69.436  778.436   69.436  778.436   69.436  628.422   28.447  628.422   28.447 0.000000 0.000000 
1 1 1  -11    0   17 o  317.371   17.582  200.766   30.361  200.766   30.361  200.766   30.361  317.371   24.865  317.371   24.865 -0.000000 0.000000 
1 1 1  -11    0   18 o  171.553   22.053   63.069   18.834   63.069   18.834   63.069   18.834  171.553   31.187  171.553   31.187 0.000000 0.000000 
1 1 1  -11    0   19 o  750.891   21.921  1112.11   90.490  1112.11   90.490  1112.11   90.490  750.891   31.001  750.891   31.001 0.000000 0.000000 
1 1 1  -11    0   20 o  1000.68   25.746  1977.88  141.757  1977.88  141.757  1977.88  141.757  1000.68   36.410  1000.68   36.410 0.000000 0.000000 
1 1 1  -11    0   21 o  1387.19   32.605  3820.43  248.988  3820.43  248.988  3820.43  248.988  1387.19   46.111  1387.19   46.111 -0.000000 0.000000 
1 1 1  -11    0   22 o  1163.00   41.307  2725.52  263.600  2725.52  263.600  2725.52  263.600  1163.00   58.417  1163.00   58.417 -0.000000 0.000000 
1 1 1  -11    0   23 o  325.767   19.630  212.900   34.703  212.900   34.703  212.900   34.703  325.767   27.762  325.767   27.762 -0.000000 0.000000 
1 1 1  -11    0   24 o  294.278   19.939  174.950   31.700  174.950   31.700  174.950   31.700  294.278   28.198  294.278   28.198 -0.000000 0.000000 
1 1 1  -11    0   25 o   36.436   17.858 -10.4120   12.428 -10.4120   12.428 -10.4120   12.428   36.436   25.255   36.436   25.255 0.000000 0.000000 
1 1 1  -11    0   26 o  391.877   19.292  307.381   41.259  307.381   41.259  307.381   41.259  391.877   27.284  391.877   27.284 -0.000000 0.000000 
1 1 1  -11    0   27 o   92.527   33.393   25.529   21.497   25.529   21.497   25.529   21.497   92.527   47.225   92.527   47.225 0.000000 0.000000 
1 1 1  -11    0   28 o  226.941   23.790  108.904   27.870  108.904   27.870  108.904   27.870  226.941   33.644  226.941   33.644 -0.000000 0.000000 
1 1 1  -11    0   29 o  187.240   29.237   79.527   26.425   79.527   26.425   79.527   26.425  187.240   41.348  187.240   41.348 0.000000 0.000000 
1 1 1  -11    0   30 o  458.746   20.417  423.585   51.221  423.585   51.221  423.585   51.221  458.746   28.874  458.746   28.874 -0.000000 0.000000 
1 1 1  -11    0   31 o   58.145   25.514   5.3000   16.377   5.3000   16.377   5.3000   16.377   58.145   36.082   58.145   36.082 -0.000000 0.000000 
1 1 1  -11    0   32 o  117.120   33.714   39.249   21.400   39.249   21.400   39.249   21.400  117.120   47.678  117.120   47.678 -0.000000 0.000000 
1 1 1  -11    0   33 o   77.880   37.465 -17.5600   49.111 -17.5600   49.111 -17.5600   49.111   77.880   52.983   77.880   52.983 0.000000 0.000000 
1 1 1  -11    0   34 o   49.468   23.442  -5.4978   17.879  -5.4978   17.879  -5.4978   17.879   49.468   33.153   49.468   33.153 0.000000 0.000000 
1 1 1  -11    0   35 o  140.834   35.955   54.621   25.619   54.621   25.619   54.621   25.619  140.834   50.848  140.834   50.848 -0.000000 0.000000 
1 1 1  -11    1    1 o  368.655   16.719  267.665   24.051  263.437   33.831  271.985   34.198  365.703   23.706  371.607   23.582 -5.904022 33.43810 
1 1 1  -11    1    2 o  498.800   18.044  490.915   35.122  490.663   49.620  491.168   49.720  498.676   25.498  498.924   25.537 -0.2480164 36.08710 
1 1 1  -11    1    3 o  844.711   32.937  1445.49  108.569  1432.87  152.541  1458.44  154.557  841.045   46.477  848.377   46.684 -7.332153 65.87481 
1 1 1  -11    1    4 o  441.508   17.433  384.387   30.030  374.434   42.028  394.770   42.924  435.658   24.721  447.358   24.587 -11.70035 34.86623 
1 1 1  -11    1    5 f  354.400   16.654  247.543   23.031  244.582   32.403  250.567   32.742  352.255   23.572  356.545   23.532 -4.290253 33.30762 
1 1 1  -11    1    6 f  327.159   16.506  210.763   21.058  199.825   29.393  222.298   30.183  318.401   23.656  335.917   23.025 -17.51617 33.01149 
1 1 1  -11    1    7 o  163.276   16.703   52.551   10.636   54.499   15.003   50.582   15.081  166.354   23.110  160.199   24.123 6.155746 33.40646 
1 1 1  -11    1    8 o  430.666   17.360  365.405   29.176  367.626   41.271  363.185   41.250  431.986   24.482  429.346   24.620 2.640320 34.72023 
1 1 1  -11    1    9 o  670.742   20.328  888.020   53.199  874.931   74.350  901.750   76.151  665.714   28.620  675.769   28.876 -10.05499 40.65616 
1 1 1  -11    1   10 f  171.925   25.146   60.448   16.303   54.223   22.359   67.514   23.823  162.208   36.236  181.642   34.876 -19.43420 50.29288 
1 1 1  -11    1   11 o  1060.45   26.563  2231.39  109.925  2219.68  154.816  2243.29  156.108  1057.67   37.509  1063.23   37.624 -5.557129 53.12700 
1 1 1  -11    1   12 o  852.555   23.049  1435.08   76.685  1430.29  108.128  1439.92  108.772  851.138   32.554  853.973   32.639 -2.835693 46.09875 
1 1 1  -11    1   13 o  333.411   16.874  218.152   21.939  229.558   31.293  207.125   30.768  342.016   23.446  324.807   24.274 17.20813 33.74782 
1 1 1  -11    1   14 o  734.333   21.246  1061.64   60.880  1072.40   86.670  1051.16   85.536  737.994   30.094  730.671   29.998 7.322510 42.49178 
1 1 1  -11    1   15 o  1599.83   53.237  5276.47  332.349  5304.25  472.891  5249.36  467.186  1603.68   75.563  1595.99   75.012 7.692139 106.4734 
1 1 1  -11    1   16 o  569.237   19.131  636.776   42.490  624.938   59.450  649.139   60.752  563.836   27.019  574.638   27.092 -10.80206 38.26197 
1 1 1  -11    1   17 o  434.442   17.900  370.825   30.346  372.511   42.866  369.131   42.967  435.442   25.226  433.441   25.402 2.000336 35.79992 
1 1 1  -11    1   18 o  343.919   17.660  232.445   23.701  233.180   33.435  231.704   33.602  344.475   24.872  343.363   25.077 1.112457 35.31940 
1 1 1  -11    1   19 f  806.730   22.573  1285.07   71.048  1306.99  101.803  1264.26   99.202  813.387   32.072  800.072   31.773 13.31494 45.14613 
1 1 1  -11    1   20 o  560.456   19.477  618.595   42.593  607.343   59.631  630.314   60.858  555.260   27.520  565.653   27.570 -10.39325 38.95439 
1 1 1  -11    1   21 o  476.343   18.757  446.737   34.859  436.236   48.723  457.748   49.894  470.610   26.530  482.076   26.522 -11.46548 37.51331 
1 1 1  -11    1   22 o  452.763   28.036  404.556   49.240  358.353   65.672  463.882   74.416  423.566   39.731  481.961   39.566 -58.39404 56.07125 
1 1 1  -11    1   23 f  527.840   19.599  551.050   40.368  557.864   57.015  544.200   57.163  531.166   27.506  524.513   27.927 6.652039 39.19844 
1 1 1  -11    1   24 o  228.519   20.804  103.705   18.522   95.762   25.835  112.106   26.567  219.414   30.173  237.624   28.650 -18.20988 41.60780 
1 1 1  -11    1   25 o  382.085   19.208  290.207   28.609  308.834   40.891  272.346   40.041  394.244   26.578  369.926   27.737 24.31808 38.41534 
1 1 1  -11    1   26 o  356.490   25.437  256.799   32.397  261.086   59.184  254.965   38.712  355.793   42.626  357.187   27.772 -1.393311 50.87494 
1 1 1  -11    1   27 o  475.405   26.730  464.066   49.583  462.591   70.614  465.501   69.638  474.448   38.139  476.363   37.461 -1.914581 53.45964 
1 1 1  -11    1   28 o  156.891   26.696   52.404   16.285   64.282   23.579   41.570   22.519  174.218   35.876  139.564   39.544 34.65401 53.39290 
1 1 1  -11    1   29 o  143.852   27.868   44.418   16.376   34.183   23.170   54.634   23.148  128.148   40.991  159.555   37.764 -31.40735 55.73534 
1 1 1  -11    1   30 o  459.310   20.691  428.495   36.995  469.226   53.026  389.867   51.639  481.196   28.238  437.424   30.251 43.77252 41.38290 
1 1 1  -11    1   31 o  351.456   20.133  252.464   27.587  261.780   38.767  242.905   39.267  358.443   27.715  344.470   29.211 13.97253 40.26629 
1 1 1  -11    1   32 o  353.760   20.729  257.751   28.492  290.170   41.025  227.546   39.600  376.091   27.953  331.430   30.618 44.66092 41.45864 
1 1 1  -11    1   33 o  537.925   34.573  657.910   72.460  649.988   99.583  666.824  105.631  536.547   47.560  539.303   50.191 -2.756836 69.14572 
1 1 1  -11    1   34 o  402.985   21.275  337.751   33.431  351.380   47.207  324.040   47.351  411.717   29.382  394.252   30.777 17.46503 42.54980 
1 1 1  -11    1   35 o  355.958   21.675  264.250   29.914  307.516   43.762  226.303   40.983  384.337   29.178  327.579   32.060 56.75775 43.34924 
1 1 1  -11    2    1 o  304.033   16.321  182.041   19.363  184.362   27.386  179.720   27.382  305.988   22.934  302.077   23.229 3.911896 32.64284 
1 1 1  -11    2    2 o  952.562   30.817  1812.23  106.578  1878.68  190.336  1781.88  128.635  959.593   50.828  945.532   34.862 14.06097 61.63469 
1 1 1  -11    2    3 o  344.925   20.039  231.028   25.486  222.279   31.032  249.159   44.672  335.826   23.679  354.025   32.335 -18.19864 40.07753 
1 1 1  -11    2    4 o  722.642   21.079  1035.40   59.439  1045.16   84.569  1025.86   83.560  725.993   29.850  719.291   29.769 6.702454 42.15708 
1 1 1  -11    2    5 o  384.710   16.927  291.594   25.396  306.644   36.421  277.351   35.431  394.410   23.663  375.010   24.211 19.40042 33.85419 
1 1 1  -11    2    6 o  480.066   17.893  454.712   33.515  465.686   47.836  444.131   46.970  485.768   25.235  474.363   25.373 11.40485 35.78535 
1 1 1  -11    2    7 o  544.600   18.649  585.489   39.633  591.362   56.288  579.715   55.813  547.313   26.354  541.887   26.393 5.425781 37.29811 
1 1 1  -11    2    8 o  298.281   16.332  175.044   19.010  175.581   26.863  174.505   26.907  298.745   23.042  297.817   23.151 0.9280701 32.66387 
1 1 1  -11    2    9 o  430.336   17.402  364.388   29.223  369.424   41.464  359.418   41.191  433.303   24.522  427.370   24.698 5.933838 34.80405 
1 1 1  -11    2   10 o  356.896   24.091  251.702   33.372  289.243   48.405  217.693   46.072  382.453   32.433  331.339   35.632 51.11392 48.18184 
1 1 1  -11    2   11 o  555.057   18.812  606.133   40.745  614.594   57.893  597.829   57.356  558.906   26.543  551.209   26.664 7.696289 37.62356 
1 1 1  -11    2   12 o  371.262   17.067  270.614   24.723  266.734   34.643  274.641   35.294  368.556   24.087  373.969   24.184 -5.413025 34.13313 
1 1 1  -11    2   13 o  907.922   23.959  1627.49   84.884  1617.51  119.210  1637.75  120.896  905.141   33.749  910.703   34.018 -5.561401 47.91872 
1 1 1  -11    2   14 o  766.233   21.727  1155.95   64.951  1179.29   93.082  1133.81   90.674  773.744   30.827  758.723   30.625 15.02026 43.45325 
1 1 1  -11    2   15 o  302.143   23.386  179.050   27.470  202.344   40.439  159.094   37.431  320.357   32.347  283.930   33.782 36.42639 46.77152 
1 1 1  -11    2   16 o  280.302   17.283  154.339   18.894  158.790   26.544  149.767   26.899  284.438   23.914  276.166   24.959 8.271393 34.56609 
1 1 1  -11    2   17 o  351.356   17.696  242.678   24.247  249.371   34.021  235.768   34.567  356.336   24.466  346.376   25.573 9.959717 35.39148 
1 1 1  -11    2   18 o  1195.66   29.067  2843.84  135.618  2859.48  192.749  2828.50  190.852  1198.86   41.199  1192.46   41.013 6.408325 58.13307 
1 1 1  -11    2   19 o  535.110   19.109  563.706   39.901  570.061   56.396  557.336   56.460  538.159   26.854  532.061   27.192 6.098816 38.21740 
1 1 1  -11    2   20 o  752.496   21.894  1118.24   64.290  1132.05   91.376  1104.71   90.470  757.105   30.927  747.887   30.998 9.217651 43.78796 
1 1 1  -11    2   21 o  796.891   22.574  1256.08   70.197  1273.21   99.968  1239.41   98.593  802.248   31.932  791.533   31.919 10.71558 45.14899 
1 1 1  -11    2   22 o  455.211   28.446  412.057   50.283  393.042   67.272  436.130   75.692  443.744   38.848  466.678   41.562 -22.93353 56.89130 
1 1 1  -11    2   23 o  643.410   20.799  820.012   52.209  845.010   74.615  796.031   73.079  653.059   29.278  633.761   29.549 19.29858 41.59705 
1 1 1  -11    2   24 o  321.674   19.604  205.089   24.584  201.238   33.897  209.362   35.709  318.578   27.266  324.770   28.176 -6.191589 39.20807 
1 1 1  -11    2   25 o  736.368   22.076  1085.25   63.434  1099.05   90.058  1071.66   89.364  741.061   31.141  731.675   31.298 9.386353 44.15104 
1 1 1  -11    2   26 f  282.753   25.929  158.468   26.773  174.928   47.954  151.013   32.271  291.258   42.190  274.248   30.154 17.00946 51.85829 
1 1 1  -11    2   27 o  528.792   27.545  574.969   56.767  601.076   82.900  551.919   77.895  539.779   39.356  517.805   38.549 21.97327 55.08968 
1 1 1  -11    2   28 o  281.627   20.526  160.019   22.510  173.794   32.168  146.803   31.510  293.808   28.057  269.447   29.967 24.36118 41.05126 
1 1 1  -11    2   29 o  402.861   22.961  332.458   35.172  337.584   45.222  324.611   55.955  408.902   28.340  396.819   36.134 12.08258 45.92171 
1 1 1  -11    2   30 o  182.686   25.201   70.772   17.547   61.803   25.234   79.169   24.417  168.755   39.086  196.617   31.823 -27.86250 50.40282 
1 1 1  -11    2   31 o  225.160   23.204  105.290   20.259   91.506   28.396  119.581   28.913  209.309   34.765  241.010   30.741 -31.70053 46.40720 
1 1 1  -11    2   32 o  318.362   21.136  209.464   26.233  221.139   37.332  198.076   36.871  327.527   29.208  309.198   30.557 18.32996 42.27129 
1 1 1  -11    2   33 o  281.438   46.443  204.803   48.733  202.433   61.001  208.983   81.020  289.611   56.001  273.265   74.106 16.34546 92.88563 
1 1 1  -11    2   34 o  377.292   21.496  296.440   31.634  298.860   44.192  293.897   45.302  379.291   29.857  375.293   30.932 3.998108 42.99101 
1 1 1  -11    2   35 o  153.227   28.507   54.356   17.622   41.389   25.986   65.397   23.978  135.031   43.433  171.423   36.934 -36.39265 57.01372 
1 1 1  -11    3    1 o  715.020   25.939  998.225   66.835  1083.90  122.440  961.863   79.767  733.315   42.786  696.724   29.338 36.59058 51.87825 
1 1 1  -11    3    2 o  728.424   30.263  1066.31   85.862  1125.28  126.301  1015.64  117.078  746.791   43.339  710.057   42.252 36.73431 60.52681 
1 1 1  -11    3    3 o  408.224   17.211  328.691   27.415  334.809   38.847  322.621   38.694  412.041   24.159  404.407   24.519 7.633331 34.42145 
1 1 1  -11    3    4 o  573.060   19.013  648.828   42.505  670.755   60.998  628.131   59.262  582.481   26.835  563.640   26.943 18.84045 38.02669 
1 1 1  -11    3    5 o  554.001   18.771  606.251   40.574  621.523   58.045  591.659   56.738  560.827   26.522  547.174   26.572 13.65277 37.54286 
1 1 1  -11    3    6 o  306.165   16.177  184.585   19.323  189.506   27.369  179.694   27.284  310.267   22.605  302.063   23.146 8.203827 32.35307 
1 1 1  -11    3    7 o  987.811   25.420  1943.96   97.991  1946.81  138.570  1941.12  138.591  988.550   35.920  987.072   35.980 1.478210 50.84076 
1 1 1  -11    3    8 o  525.677   18.449  544.552   37.845  540.637   53.219  548.558   53.829  523.776   26.037  527.578   26.145 -3.801514 36.89862 
1 1 1  -11    3    9 o  386.446   17.048  293.667   25.709  293.352   36.259  293.987   36.457  386.244   24.056  386.648   24.162 -0.4045105 34.09510 
1 1 1  -11    3   10 f  365.602   24.145  263.730   34.393  248.835   47.065  280.797   50.380  354.580   34.014  376.623   34.279 -22.04266 48.29036 
1 1 1  -11    3   11 o  1373.80   32.339  3771.35  173.371  3786.36  246.195  3756.58  244.184  1376.44   45.834  1371.15   45.635 5.282959 64.67881 
1 1 1  -11    3   12 o  430.579   17.591  363.741   29.539  348.258   41.011  380.434   42.583  421.059   24.959  440.100   24.794 -19.04037 35.18116 
1 1 1  -11    3   13 o  929.805   24.314  1706.56   88.200  1738.48  126.516  1676.37  123.026  938.207   34.555  921.403   34.215 16.80396 48.62848 
1 1 1  -11    3   14 o  163.057   18.644   53.897   11.288   68.420   16.044   39.661   15.885  186.806   22.009  139.307   30.099 47.49928 37.28770 
1 1 1  -11    3   15 o  552.556   26.685  598.609   57.266  533.233   76.958  679.720   85.721  519.014   37.996  586.098   37.479 -67.08356 53.37012 
1 1 1  -11    3   16 o  663.098   20.399  864.342   52.755  898.653   76.180  832.725   73.127  675.719   28.890  650.476   28.808 25.24268 40.79847 
1 1 1  -11    3   17 o  525.666   18.881  543.474   38.728  550.796   54.652  536.089   54.889  529.260   26.461  522.072   26.942 7.187683 37.76270 
1 1 1  -11    3   18 o  435.539   18.209  372.969   30.939  385.545   43.999  360.669   43.514  442.838   25.460  428.240   26.038 14.59860 36.41754 
1 1 1  -11    3   19 o  360.557   18.029  255.733   25.363  259.740   35.734  251.664   36.007  363.438   25.195  357.677   25.797 5.761566 36.05898 
1 1 1  -11    3   20 o  190.990   21.361   73.206   15.420   61.687   21.528   85.342   22.097  173.831   32.941  208.149   27.204 -34.31779 42.72212 
1 1 1  -11    3   21 o  636.832   20.504  800.573   50.952  803.642   71.644  797.432   72.476  638.125   28.770  635.540   29.223 2.584351 41.00848 
1 1 1  -11    3   22 o  420.499   28.666  345.823   46.256  312.335   59.239  398.138   74.041  395.560   38.376  445.438   42.595 -49.87820 57.33282 
1 1 1  -11    3   23 o  187.159   23.522   71.404   16.617   57.510   23.362   85.632   23.640  166.462   36.929  207.855   29.145 -41.39357 47.04423 
1 1 1  -11    3   24 o  231.570   20.199  106.758   18.209  114.435   25.641   98.946   25.865  240.158   27.359  222.983   29.724 17.17581 40.39848 
1 1 1  -11    3   25 o  103.052   31.517   5.7828   16.358   6.8691   17.438  -2.1833   47.224   84.614   34.173  121.490   52.966 -36.87679 63.03338 
1 1 1  -11    3   26 o  396.578   26.740  320.255   41.055  329.155   62.408  313.466   54.510  400.395   39.941  392.761   35.564 7.633179 53.48010 
1 1 1  -11    3   27 o  392.562   24.178  308.247   35.873  336.833   59.558  291.972   44.939  404.799   37.703  380.324   30.279 24.47549 48.35579 
1 1 1  -11    3   28 o  426.596   28.790  367.077   47.927   0.0000   0.0000  367.077   47.927  ?   ?   426.596   28.790      ?      ? 
1 1 1  -11    3   29 o  205.277   25.020   87.956   19.515   98.814   27.912   77.572   27.296  219.996   32.512  190.559   38.039 29.43684 50.03958 
1 1 1  -11    3   30 o  453.094   21.082  417.339   37.170  405.295   50.420  431.677   55.013  446.511   28.936  459.678   30.668 -13.16647 42.16391 
1 1 1  -11    3   31 o   88.492   24.395   11.183   12.351   2.6022   20.051   16.430   15.679   82.876   35.299   94.108   33.682 -11.23187 48.79041 
1 1 1  -11    3   32 o  217.034   25.485  101.435   20.901   87.042   29.549  115.843   29.566  198.420   39.550  235.648   32.151 -37.22794 50.96988 
1 1 1  -11    3   33 f  319.523   44.873  248.981   51.798  232.466   63.072  283.201   90.787  317.704   50.872  321.343   73.935 -3.639221 89.74584 
1 1 1  -11    3   34 o  199.328   27.664   88.095   20.699   91.224   30.555   85.440   28.140  202.038   40.168  196.619   38.050 5.418854 55.32869 
1 1 1  -11    3   35 o  300.985   22.862  191.834   26.696  216.309   38.065  168.141   37.451  321.287   30.360  280.683   34.191 40.60336 45.72498 
1 1 1  -11    4    1 o  390.330   33.047  303.240   50.339   0.0000   0.0000  303.240   50.339  ?   ?   390.330   33.047      ?      ? 
1 1 1  -11    4    2 o  306.870   31.059  122.146   21.043  110.819   21.727  293.559   84.524  237.121   23.480  376.618   57.510 -139.4968 62.11890 
1 1 1  -11    4    3 o  198.309   16.408   77.451   12.686   72.805   17.736   82.316   18.151  192.187   23.649  204.431   22.752 -12.24422 32.81663 
1 1 1  -11    4    4 o  373.822   16.941  275.474   24.714  274.507   34.819  276.456   35.083  373.169   23.910  374.476   24.007 -1.307098 33.88285 
1 1 1  -11    4    5 o  200.183   16.959   79.031   13.238   81.705   18.607   76.289   18.839  203.662   23.411  196.704   24.543 6.957779 33.91791 
1 1 1  -11    4    6 o  685.106   20.557  927.851   54.939  954.684   79.000  902.719   76.453  694.668   29.142  675.543   29.001 19.12573 41.11323 
1 1 1  -11    4    7 o  1000.59   25.583  1992.05   99.894  1991.14  141.117  1992.96  141.426  1000.38   36.148  1000.80   36.212 -0.4249878 51.16611 
1 1 1  -11    4    8 o  146.989   17.923   43.276   10.032   46.897   14.186   39.654   14.190  154.441   23.538  139.538   27.035 14.90294 35.84597 
1 1 1  -11    4    9 o  493.563   25.853  482.345   49.706  524.666   72.038  443.886   68.673  514.332   35.891  472.794   37.221 41.53763 51.70615 
1 1 1  -11    4   10 o  258.255   16.148  130.964   16.261  137.560   23.104  124.489   22.892  264.732   22.364  251.777   23.299 12.95505 32.29517 
1 1 1  -11    4   11 o  524.789   18.520  541.433   37.926  549.592   53.887  533.426   53.386  528.717   26.117  520.860   26.265 7.856567 37.03994 
1 1 1  -11    4   12 o  297.849   17.085  173.985   19.849  167.597   27.575  180.855   28.594  292.178   24.184  303.518   24.141 -11.34009 34.17084 
1 1 1  -11    4   13 o  644.904   20.076  817.992   50.518  810.863   70.761  825.403   72.145  642.066   28.241  647.742   28.541 -5.675903 40.15185 
1 1 1  -11    4   14 o  808.859   44.848  1302.22  141.563   0.0000   0.0000  1302.22  141.563  ?   ?   808.859   44.848      ?      ? 
1 1 1  -11    4   15 o  631.360   28.793  784.321   70.942   0.0000   0.0000  784.321   70.942  ?   ?   631.360   28.793      ?      ? 
1 1 1  -11    4   16 f  578.382   19.395  657.796   43.769  675.865   62.368  640.262   61.438  586.234   27.262  570.530   27.595 15.70477 38.79062 
1 1 1  -11    4   17 o  1211.95   29.380  2921.56  138.948  2943.19  197.570  2900.39  195.453  1216.34   41.623  1207.55   41.477 8.794556 58.76046 
1 1 1  -11    4   18 o  296.486   18.535  173.639   21.303  196.605   30.146  150.730   30.108  316.309   24.423  276.662   27.887 39.64703 37.06977 
1 1 1  -11    4   19 o  234.960   19.492  109.368   17.574  134.939   25.244   85.321   24.480  261.984   24.692  207.936   30.168 54.04796 38.98488 
1 1 1  -11    4   20 o  396.108   18.417  308.042   28.428  292.906   38.982  325.237   41.548  385.762   25.895  406.454   26.194 -20.69217 36.83336 
1 1 1  -11    4   21 o  401.283   22.953  318.308   34.380  320.966   57.810  316.854   42.764  401.715   36.877  400.851   27.338 0.8643494 45.90506 
1 1 1  -11    4   22 o  260.430   34.670  155.445   27.227  166.435   30.633  114.108   59.412  290.338   27.037  230.523   63.851 59.81451 69.33902 
1 1 1  -11    4   23 o  116.738   23.748   26.006   13.527  -0.4910   20.335   47.038   18.117   82.406   35.334  151.071   31.739 -68.66514 47.49599 
1 1 1  -11    4   24 o  326.177   19.544  211.348   24.837  211.693   34.192  210.963   36.138  326.626   26.825  325.728   28.430 0.8978882 39.08739 
1 1 1  -11    4   25 o  301.568   33.061  201.524   30.017  209.915   34.021  172.038   63.774  324.681   26.851  278.454   60.425 46.22665 66.12199 
1 1 1  -11    4   26 o  150.938   30.105   47.508   17.762   51.494   30.795   45.521   21.744  155.365   46.877  146.512   37.784 8.852448 60.20919 
1 1 1  -11    4   27 o  505.555   24.814  533.526   47.071  474.023   75.087  572.050   60.417  478.229   40.234  532.880   29.053 -54.65155 49.62749 
1 1 1  -11    4   28 o  240.538   26.295  113.784   23.671  139.369   41.000  100.992   28.991  258.619   40.625  222.457   33.396 36.16243 52.58943 
1 1 1  -11    4   29 o  399.400   20.882  323.378   32.475  322.921   44.476  323.899   47.529  399.603   28.521  399.196   30.510 0.4068604 41.76498 
1 1 1  -11    4   30 o  170.793   25.919   61.082   16.743   81.535   25.756   46.114   22.033  195.909   34.972  145.677   38.264 50.23251 51.83825 
1 1 1  -11    4   31 o  183.830   26.644   75.323   19.045   39.631   26.868  111.367   27.001  134.956   44.221  232.704   29.733 -97.74803 53.28762 
1 1 1  -11    4   32 o  580.997   31.883  703.981   72.288   0.0000   0.0000  703.981   72.288  ?   ?   580.997   31.883      ?      ? 
1 1 1  -11    4   33 f  192.791   43.031   81.513   27.770   76.705   29.669  115.516   78.899  184.114   42.196  201.468   75.009 -17.35367 86.06298 
1 1 1  -11    4   34 o  296.808   23.140  185.552   26.554  217.562   38.228  155.708   36.912  323.104   30.318  270.512   34.966 52.59232 46.27959 
1 1 1  -11    5    1 o  343.890   45.184  306.512   33.350  319.741   35.107  184.133  106.776  403.004   22.323  284.776   87.568 118.2281 90.36880 
1 1 1  -11    5    2 o  345.488   19.985  239.032   25.709  246.184   32.180  226.411   42.746  353.493   23.328  337.484   32.457 16.00848 39.97038 
1 1 1  -11    5    3 o  344.073   18.165  231.823   23.236  227.693   28.670  239.729   39.667  340.219   21.594  347.927   29.216 -7.708191 36.32965 
1 1 1  -11    5    4 o  498.100   21.735  500.656   40.743  529.640   52.141  455.209   65.292  518.104   25.789  478.096   34.995 40.00861 43.47097 
1 1 1  -11    5    5 o  680.200   25.406  932.675   63.948  958.782   79.481  884.753  107.683  696.198   29.255  664.202   41.545 31.99683 50.81153 
1 1 1  -11    5    6 o  256.864   16.281  129.883   16.276  141.709   23.151  118.324   22.888  268.517   22.093  245.210   23.919 23.30695 32.56115 
1 1 1  -11    5    7 o  773.422   21.838  1182.60   65.910  1180.53   93.026  1184.68   93.397  772.754   30.848  774.089   30.918 -1.335571 43.67547 
1 1 1  -11    5    8 o  345.363   21.817  244.768   27.240  263.080   33.576  209.504   46.594  365.882   23.516  324.844   36.756 41.03839 43.63481 
1 1 1  -11    5    9 f  859.104   33.150  1477.69  111.111  1511.30  159.189  1445.77  155.158  868.585   46.964  849.622   46.797 18.96295 66.29935 
1 1 1  -11    5   10 o  886.965   23.662  1554.28   81.896  1573.60  116.737  1535.55  114.921  892.373   33.522  881.557   33.405 10.81653 47.32495 
1 1 1  -11    5   11 o  698.361   20.885  960.071   56.901  943.236   79.283  977.952   81.711  692.090   29.355  704.631   29.716 -12.54132 41.77036 
1 1 1  -11    5   12 o  386.635   17.342  293.392   26.159  290.250   36.501  296.710   37.507  384.526   24.325  388.743   24.724 -4.217010 34.68384 
1 1 1  -11    5   13 o  279.376   17.227  151.748   18.646  128.565   25.165  179.972   27.767  255.880   25.201  302.871   23.493 -46.99103 34.45312 
1 1 1  -11    5   14 o  809.862   44.856  1305.56  141.765   0.0000   0.0000  1305.56  141.765  ?   ?   809.862   44.856      ?      ? 
1 1 1  -11    5   15 o  878.349   23.673  1522.74   81.138  1520.02  114.088  1525.52  115.415  877.605   33.313  879.094   33.643 -1.489319 47.34545 
1 1 1  -11    5   16 o  255.711   18.507  128.454   18.422  127.366   25.130  129.717   27.084  254.604   25.292  256.817   27.024 -2.213089 37.01376 
1 1 1  -11    5   17 o  1120.21   27.761  2492.04  121.357  2500.40  171.922  2483.75  171.328  1122.08   39.262  1118.34   39.257 3.739868 55.52191 
1 1 1  -11    5   18 o  258.467   19.338  131.837   19.457  137.812   27.014  125.395   28.049  264.667   26.155  252.268   28.492 12.39925 38.67673 
1 1 1  -11    5   19 f  1417.30   33.460  4030.33  185.061  4044.15  262.438  4016.67  260.999  1419.68   47.370  1414.93   47.269 4.749390 66.91972 
1 1 1  -11    5   20 o  729.107   21.825  1050.12   62.058  1040.62   86.061  1060.41   89.571  725.816   30.384  732.399   31.339 -6.583618 43.65027 
1 1 1  -11    5   21 o  270.425   35.540  147.187   33.092  142.728   38.932  158.798   62.820  267.724   37.264  273.126   60.530 -5.401855 71.08044 
1 1 1  -11    5   22 o  250.690   20.007  125.138   19.400  142.808   27.280  107.062   27.592  268.979   25.990  232.402   30.424 36.57748 40.01366 
1 1 1  -11    5   23 o  1185.09   29.583  2839.00  136.769  2816.96  190.757  2862.31  196.199  1180.79   41.398  1189.39   42.271 -8.597656 59.16574 
1 1 1  -11    5   24 o  438.893   19.487  383.222   33.310  387.425   45.856  378.526   48.468  441.721   26.602  436.066   28.482 5.655029 38.97323 
1 1 1  -11    5   25 o  459.472   28.442  413.748   42.369  399.573   47.766  466.058   91.758  447.525   27.351  471.419   49.878 -23.89398 56.88443 
1 1 1  -11    5   26 o  561.947   39.001  649.240   85.527   0.0000   0.0000  649.240   85.527  ?   ?   561.947   39.001      ?      ? 
1 1 1  -11    5   27 o  341.429   20.686  235.461   27.485  240.414   37.747  229.872   40.097  345.731   27.978  337.126   30.478 8.604584 41.37245 
1 1 1  -11    5   28 o  130.644   29.550   36.635   16.196   22.834   33.528   40.836   18.497  122.636   48.084  138.652   34.361 -16.01585 59.09925 
1 1 1  -11    5   29 o  163.462   27.702   58.197   17.355   54.436   26.455   61.039   22.993  157.849   42.153  169.074   35.956 -11.22525 55.40440 
1 1 1  -11    5   30 o   60.685   19.760  -5.6468   8.5434 -10.0005   19.682  -4.6361   9.4835   71.061   32.339   50.309   22.716 20.75238 39.51962 
1 1 1  -11    5   31 f  167.222   27.965   62.618   17.920   56.309   27.132   67.499   23.866  158.098   42.888  176.345   35.900 -18.24657 55.93073 
1 1 1  -11    5   32 o  213.154   31.641   96.398   23.479  122.379   44.502   86.377   27.639  227.441   51.355  198.868   36.975 28.57275 63.28131 
1 1 1  -11    5   33 o  123.140   39.458   3.1953   23.184  -0.6669   24.232   45.011   79.732   86.309   37.776  159.972   69.286 -73.66305 78.91499 
1 1 1  -11    5   34 o  505.621   22.191  536.483   43.694  548.586   60.382  523.179   63.307  512.944   30.165  498.297   32.556 14.64615 44.38287 
1 1 1  -11    6    1 o  463.291   23.549  426.532   42.571  432.762   60.194  420.298   60.216  466.740   33.048  459.842   33.556 6.897247 47.09763 
1 1 1  -11    6    2 o  363.242   20.214  260.829   27.468  260.671   34.289  261.114   45.889  363.774   24.154  362.711   32.420 1.063171 40.42859 
1 1 1  -11    6    3 o  561.127   22.482  636.097   47.802  683.568   62.151  567.342   74.797  588.472   27.064  533.782   35.908 54.68909 44.96474 
1 1 1  -11    6    4 o  266.123   18.685  134.988   18.421  125.691   22.405  154.386   32.363  252.819   22.709  279.428   29.679 -26.60960 37.37031 
1 1 1  -11    6    5 o  411.913   20.539  338.899   31.647  349.296   39.838  321.115   52.101  421.326   24.230  402.500   33.170 18.82578 41.07739 
1 1 1  -11    6    6 o  266.946   19.469  149.302   18.712  169.317   23.448  114.203   31.051  293.745   20.455  240.148   33.133 53.59691 38.93892 
1 1 1  -11    6    7 o  1005.51   31.345  2060.68  119.586  2225.07  156.198  1827.85  185.890  1058.25   37.823  952.778   49.996 105.4692 62.69088 
1 1 1  -11    6    8 o  908.403   34.382  1642.87  121.291  1790.51  182.889  1526.96  162.057  944.010   49.645  872.797   47.580 71.21271 68.76417 
1 1 1  -11    6    9 o  722.644   21.135  1029.32   59.602  1033.31   84.379  1025.35   84.202  724.047   29.863  721.242   29.916 2.804688 42.27044 
1 1 1  -11    6   10 o  444.761   17.948  388.694   31.140  402.011   44.176  375.542   43.902  452.377   25.024  437.146   25.735 15.23126 35.89529 
1 1 1  -11    6   11 o  484.518   18.335  461.262   34.652  479.175   49.205  443.636   48.808  493.902   25.529  475.134   26.324 18.76855 36.66986 
1 1 1  -11    6   12 o  257.713   17.606  130.234   17.676  127.718   24.207  133.109   25.873  255.086   24.318  260.340   25.466 -5.253891 35.21201 
1 1 1  -11    6   13 o  205.894   22.952   75.185   16.897  133.723   29.601   46.892   20.579  260.690   29.097  151.098   35.503 109.5919 45.90307 
1 1 1  -11    6   14 o  629.365   20.070  779.115   49.285  798.946   70.085  759.715   69.319  637.323   28.179  621.406   28.586 15.91663 40.13991 
1 1 1  -11    6   15 o  221.166   18.251   95.898   15.726   92.513   21.497   99.794   23.065  217.003   25.385  225.329   26.230 -8.326050 36.50275 
1 1 1  -11    6   16 o  450.149   18.376  398.383   32.248  398.305   44.617  398.468   46.662  450.180   25.397  450.119   26.565 0.6072998E-01 36.75164 
1 1 1  -11    6   17 o  407.600   18.334  325.717   28.952  383.138   42.232  274.804   39.767  441.557   24.509  373.642   27.273 67.91531 36.66783 
1 1 1  -11    6   18 o  628.099   20.450  777.690   50.112  802.161   71.211  753.683   70.532  637.957   28.604  618.241   29.234 19.71594 40.90016 
1 1 1  -11    6   19 o  603.133   20.190  717.462   47.505  727.886   66.674  706.714   67.702  607.679   28.116  598.587   28.983 9.092590 40.37979 
1 1 1  -11    6   20 o  375.986   28.731  279.001   42.155   0.0000   0.0000  279.001   42.155  ?   ?   375.986   28.731      ?      ? 
1 1 1  -11    6   21 o  632.724   27.708  757.877   59.205  718.730   67.632  886.268  122.480  603.034   28.739  662.415   47.381 -59.38068 55.41590 
1 1 1  -11    6   22 o  301.920   20.238  178.682   23.689  153.406   31.871  209.886   35.411  278.190   29.357  325.649   27.865 -47.45889 40.47603 
1 1 1  -11    6   23 o  247.332   20.566  121.569   19.837  120.752   27.517  122.452   28.622  246.542   28.601  248.121   29.560 -1.578690 41.13182 
1 1 1  -11    6   24 o  268.502   20.470  142.989   21.371  127.559   29.110  161.028   31.475  252.765   29.512  284.239   28.376 -31.47398 40.94083 
1 1 1  -11    6   25 o  242.795   22.382  118.529   21.101  116.978   28.391  120.443   31.541  241.374   30.141  244.216   33.095 -2.841782 44.76344 
1 1 1  -11    6   26 o  130.220   26.123   38.435   17.660 -25.3066   34.454   61.150   20.568   89.084   41.351  171.355   31.933 -82.27136 52.24550 
1 1 1  -11    6   27 o  191.059   24.282   74.887   17.649   86.948   26.419   65.167   23.718  206.678   32.756  175.440   35.854 31.23811 48.56411 
1 1 1  -11    6   28 o  372.852   21.673  284.468   31.240  316.510   43.277  249.604   45.142  396.155   27.994  349.549   33.094 46.60605 43.34565 
1 1 1  -11    6   29 o  387.805   21.377  305.973   32.265  301.590   43.930  311.107   47.544  385.332   29.214  390.277   31.217 -4.944611 42.75446 
1 1 1  -11    6   30 f  310.561   22.074  198.169   26.660  193.556   36.067  203.726   39.583  307.163   30.089  313.959   32.307 -6.795380 44.14901 
1 1 1  -11    6   31 o  402.103   21.848  334.695   34.205  329.481   46.686  340.736   50.256  399.436   29.951  404.770   31.816 -5.334229 43.69579 
1 1 1  -11    6   32 o  176.611   40.966   84.215   36.129  104.872   40.337   0.4205   81.243  211.072   49.779  142.150   65.077 68.92261 81.93267 
1 1 1  -11    6   33 o  444.646   22.311  413.149   38.578  412.283   52.445  414.171   56.948  445.402   30.173  443.889   32.875 1.512634 44.62289 
1 1 1  -11    6   34 o  393.859   22.088  325.367   33.930  322.666   47.123  328.275   48.894  392.581   30.759  395.137   31.709 -2.556152 44.17642 
1 1 1  -11    7    1 o  334.408   45.164  234.499   39.859  234.374   42.880  235.298  108.108  344.031   31.939  324.785   84.492 19.24561 90.32739 
1 1 1  -11    7    2 o  445.580   23.404  392.236   40.619  426.395   59.237  361.920   55.805  463.910   32.721  427.249   33.471 36.66089 46.80748 
1 1 1  -11    7    3 o  564.506   24.844  630.235   54.632  675.990   80.103  590.443   74.702  583.583   35.173  545.429   35.096 38.15454 49.68831 
1 1 1  -11    7    4 o  768.775   25.780  1172.41   74.053  1168.83   92.274  1178.88  124.121  769.084   30.745  768.466   41.390 0.6190186 51.55912 
1 1 1  -11    7    5 o  223.430   21.614  105.745   16.746  117.482   20.730   83.700   28.411  244.629   21.715  202.231   37.377 42.39795 43.22710 
1 1 1  -11    7    6 o  299.453   20.865  178.289   22.431  180.609   26.996  173.115   40.313  303.267   22.811  295.638   34.943 7.629761 41.72934 
1 1 1  -11    7    7 o  845.597   32.852  1421.52  107.922  1337.40  144.538  1527.51  162.242  818.040   45.277  873.155   47.615 -55.11523 65.70499 
1 1 1  -11    7    8 o  429.048   21.019  361.385   33.438  358.373   41.225  367.179   57.170  427.095   24.735  431.001   33.990 -3.905945 42.03758 
1 1 1  -11    7    9 o  921.954   29.050  1691.55   99.940  1698.91  124.568  1678.25  167.423  927.221   34.426  916.687   46.802 10.53400 58.09970 
1 1 1  -11    7   10 o  203.948   24.801   86.992   16.891   91.012   19.889   76.592   31.993  215.351   23.666  192.546   43.592 22.80504 49.60208 
1 1 1  -11    7   11 o  784.887   27.503  1247.66   80.579  1326.55  102.199  1118.05  131.003  820.338   31.924  749.435   44.793 70.90320 55.00549 
1 1 1  -11    7   12 o  897.394   47.717  1607.07  167.105   0.0000   0.0000  1607.07  167.105  ?   ?   897.394   47.717      ?      ? 
1 1 1  -11    7   13 o  567.873   37.704  638.265   83.554   0.0000   0.0000  638.265   83.554  ?   ?   567.873   37.704      ?      ? 
1 1 1  -11    7   14 o  623.716   20.200  765.754   49.154  781.467   69.252  749.801   69.778  630.242   28.158  617.191   28.971 13.05023 40.40046 
1 1 1  -11    7   15 o  278.829   34.932  212.998   29.498  259.537   34.050   72.992   59.058  363.555   24.000  194.104   65.613 169.4506 69.86443 
1 1 1  -11    7   16 o  774.475   22.327  1184.04   67.470  1205.42   95.388  1162.63   95.445  781.556   31.275  767.393   31.872 14.16284 44.65363 
1 1 1  -11    7   17 o  544.089   19.770  583.047   41.920  581.778   57.779  584.458   60.911  543.594   27.237  544.583   28.661 -0.9894409 39.53933 
1 1 1  -11    7   18 o  808.347   23.046  1291.53   72.651  1277.01  100.676  1307.30  104.945  803.771   32.097  812.923   33.081 -9.152161 46.09288 
1 1 1  -11    7   19 o  638.553   21.373  803.909   53.096  788.004   72.012  822.856   78.598  631.901   29.203  645.205   31.216 -13.30365 42.74655 
1 1 1  -11    7   20 f  531.798   30.736  529.885   59.818  467.478   71.378  677.118  109.636  484.429   37.758  579.167   48.509 -94.73782 61.47137 
1 1 1  -11    7   21 o  505.550   20.628  507.637   40.461  525.381   54.963  486.644   59.782  515.670   27.313  495.429   30.921 20.24063 41.25673 
1 1 1  -11    7   22 o  552.348   20.536  604.523   44.093  595.726   59.593  615.164   65.544  548.285   27.852  556.411   30.186 -8.125977 41.07236 
1 1 1  -11    7   23 o  836.109   24.061  1401.36   78.384  1389.44  107.683  1414.80  114.319  832.920   33.129  839.299   34.904 -6.378906 48.12291 
1 1 1  -11    7   24 o  344.907   19.899  239.480   26.490  275.122   37.089  202.369   37.846  372.012   25.548  317.803   30.516 54.20868 39.79880 
1 1 1  -11    7   25 o  417.530   26.511  337.464   41.871  439.909   70.672  282.052   51.976  462.897   39.123  372.162   35.788 90.73477 53.02263 
1 1 1  -11    7   26 o  238.517   23.824  117.538   21.254  144.889   30.609   92.073   29.535  268.126   29.254  208.908   37.611 59.21814 47.64887 
1 1 1  -11    7   27 o  429.662   24.999  377.871   41.041  382.804   65.040  374.607   52.904  429.860   38.772  429.464   31.567 0.3964233 49.99760 
1 1 1  -11    7   28 o  288.906   21.938  170.107   24.646  186.472   34.933  153.889   34.777  303.329   29.511  274.483   32.467 28.84586 43.87550 
1 1 1  -11    7   29 o  302.880   21.953  188.484   25.701  218.631   36.542  158.973   36.155  328.040   28.545  277.720   33.360 50.31931 43.90566 
1 1 1  -11    7   30 o  392.511   22.929  318.370   34.395  313.645   44.302  325.540   54.573  391.175   29.022  393.847   35.508 -2.672363 45.85891 
1 1 1  -11    7   31 o  218.405   28.329  100.848   21.888  114.487   39.760   94.917   26.219  223.216   47.123  213.594   31.456 9.621826 56.65747 
1 1 1  -11    7   32 o  255.106   44.446  108.855   31.221   87.637   33.110  279.021   93.767  195.860   44.350  314.352   77.038 -118.4918 88.89170 
1 1 1  -11    7   33 o  157.906   28.272   52.510   16.787   71.067   29.015   43.172   20.582  176.452   42.617  139.361   37.164 37.09138 56.54497 
1 1 1  -11    7   34 o  300.242   23.970  192.814   27.790  163.018   39.240  222.798   39.363  274.774   36.595  325.711   30.969 -50.93732 47.94005 
1 1 1  -11    8    1 o  272.419   41.321  152.682   32.457  152.408   35.268  154.197   82.958  277.580   32.558  267.259   75.958 10.32150 82.64201 
1 1 1  -11    8    2 o  487.057   23.892  466.700   45.268  516.412   67.043  425.046   61.369  510.778   33.635  463.335   33.941 47.44299 47.78389 
1 1 1  -11    8    3 o  382.143   21.535  286.827   31.997  323.605   46.949  254.927   43.725  405.012   29.705  359.274   31.187 45.73843 43.06971 
1 1 1  -11    8    4 o  438.612   24.161  380.623   41.346  391.872   58.939  369.724   58.016  445.033   33.938  432.192   34.399 12.84067 48.32210 
1 1 1  -11    8    5 o  345.306   23.206  236.979   30.975  274.332   43.850  199.777   43.762  372.965   30.128  317.647   35.303 55.31802 46.41145 
1 1 1  -11    8    6 o  596.861   26.065  687.290   59.803  819.058   95.129  601.186   76.899  642.647   37.932  551.075   35.758 91.57233 52.12993 
1 1 1  -11    8    7 o  336.367   19.570  214.499   24.291  199.171   29.406  247.432   43.102  318.516   23.658  354.218   31.181 -35.70203 39.14029 
1 1 1  -11    8    8 o  219.268   20.826   87.635   16.376   78.128   19.216  112.859   31.299  199.458   24.687  239.078   33.548 -39.61920 41.65220 
1 1 1  -11    8    9 o  314.802   20.279  185.250   23.240  169.711   27.712  222.090   42.668  294.044   24.150  335.559   32.584 -41.51486 40.55789 
1 1 1  -11    8   10 o  394.203   21.887  306.424   31.333  306.953   37.951  305.293   55.533  395.430   24.594  392.977   36.212 2.453491 43.77369 
1 1 1  -11    8   11 o  773.641  143.354  1427.78  416.856   0.0000   0.0000  1427.78  416.856  ?   ?   773.641  143.354      ?      ? 
1 1 1  -11    8   12 o  433.072   42.496  274.126   49.659  241.347   52.507  551.879  152.843  349.089   38.544  517.055   75.749 -167.9665 84.99134 
1 1 1  -11    8   13 o  107.852   28.165   13.621   11.091   11.355   11.821   30.301   32.068   82.082   29.260  133.622   48.134 -51.53937 56.32962 
1 1 1  -11    8   14 o  595.133   24.814  718.000   54.249  757.817   67.436  644.977   91.324  620.573   27.846  569.693   41.079 50.88062 49.62715 
1 1 1  -11    8   15 o  517.375   26.604  526.548   53.713  526.548   53.713   0.0000   0.0000  517.375   26.604  ?   ?       ?      ? 
1 1 1  -11    8   16 o  317.043   18.890  199.299   23.192  218.280   32.010  178.326   33.647  333.256   24.614  300.829   28.662 32.42706 37.77977 
1 1 1  -11    8   17 o  560.006   20.464  618.466   44.604  620.294   60.965  616.360   65.431  561.114   27.842  558.899   30.000 2.214661 40.92868 
1 1 1  -11    8   18 o  385.487   19.241  292.781   28.856  293.096   39.315  292.414   42.485  385.858   26.110  385.115   28.269 0.7428894 38.48206 
1 1 1  -11    8   19 o  171.954   39.970   55.806   23.360   57.352   24.732   43.012   71.146  166.450   38.792  177.457   69.896 -11.00778 79.93973 
1 1 1  -11    8   20 o  245.974   39.110   74.664   21.226   65.402   21.923  213.492   84.879  178.924   32.599  313.024   71.104 -134.1001 78.22027 
1 1 1  -11    8   21 o  282.076   20.640  156.797   22.652  145.436   30.642  170.489   33.638  270.905   28.984  293.247   29.394 -22.34216 41.28096 
1 1 1  -11    8   22 o  569.169   31.425  645.930   69.800   0.0000   0.0000  645.930   69.800  ?   ?   569.169   31.425      ?      ? 
1 1 1  -11    8   23 o  715.217   33.131  1027.10   92.470   0.0000   0.0000  1027.10   92.470  ?   ?   715.217   33.131      ?      ? 
1 1 1  -11    8   24 o  277.474   28.226  153.993   30.563  153.993   30.563   0.0000   0.0000  277.474   28.226  ?   ?       ?      ? 
1 1 1  -11    8   25 o  270.801   26.323  134.000   25.348  192.734   49.851  113.520   29.437  304.718   41.922  236.883   31.844 67.83482 52.64516 
1 1 1  -11    8   26 o  246.630   21.577  123.071   20.751  116.853   29.125  129.482   29.574  240.139   31.079  253.121   29.940 -12.98201 43.15448 
1 1 1  -11    8   27 o  229.719   30.734  107.076   27.552   0.0000   0.0000  107.076   27.552  ?   ?   229.719   30.734      ?      ? 
1 1 1  -11    8   28 o  242.025   22.673  117.847   21.119  148.728   31.929   93.826   28.160  270.374   30.261  213.677   33.771 56.69711 45.34542 
1 1 1  -11    8   29 o  367.000   22.519  270.805   31.834  221.885   41.762  338.660   49.184  327.871   32.640  406.129   31.034 -78.25830 45.03800 
1 1 1  -11    8   30 o  465.712   23.817  444.327   42.025  416.438   52.784  492.614   69.455  449.294   30.105  482.130   36.915 -32.83597 47.63466 
1 1 1  -11    8   31 o  233.872   29.317  121.765   25.055  115.823   40.869  125.344   31.714  223.384   48.289  244.360   33.257 -20.97659 58.63357 
1 1 1  -11    8   32 o  251.834   46.166  144.497   33.443  137.351   35.515  200.435   99.362  254.081   35.818  249.588   85.102 4.493164 92.33242 
1 1 1  -11    8   33 o  206.139   28.314   98.607   21.650   71.827   33.278  118.261   28.508  174.347   47.582  237.932   30.704 -63.58516 56.62862 
1 1 1  -11    9    1 o  765.783   41.237  1166.91  123.232  1166.91  123.232   0.0000   0.0000  765.783   41.237  ?   ?       ?      ? 
1 1 1  -11    9    2 o  528.146   56.530  663.097   75.474  695.359   82.212  490.145  190.350  592.650   35.547  463.641  107.326 129.0087 113.0596 
1 1 1  -11    9    3 o  591.910   35.460  693.403   81.909  693.403   81.909   0.0000   0.0000  591.910   35.460  ?   ?       ?      ? 
1 1 1  -11    9    4 o  344.456   24.400  234.202   32.763  249.939   47.333  219.726   45.397  355.599   34.109  333.314   34.901 22.28546 48.80062 
1 1 1  -11    9    5 o  959.229   86.930  2027.07  181.639  2147.42  574.126  2013.68  191.474  915.574  166.834  1002.88   48.925 -87.31061 173.8601 
1 1 1  -11    9    6 f  848.327   31.016  1431.71  102.633  1477.32  147.753  1389.18  142.671  861.336   43.957  835.319   43.767 26.01617 62.03103 
1 1 1  -11    9    7 o  1051.39   37.507  2180.26  151.408  2435.60  241.120  2014.04  194.545  1099.50   56.196  1003.28   49.690 96.21228 75.01391 
1 1 1  -11    9    8 o  856.496   27.523  1476.27   89.594  1571.80  116.679  1339.00  139.858  892.474   33.501  820.518   43.679 71.95667 55.04692 
1 1 1  -11    9    9 f  799.131   26.639  1264.48   79.381  1266.38   98.768  1261.02  133.411  801.641   31.572  796.622   42.915 5.019226 53.27732 
1 1 1  -11    9   10 o  777.202  143.753  1442.24  419.936   0.0000   0.0000  1442.24  419.936  ?   ?   777.202  143.753      ?      ? 
1 1 1  -11    9   11 o  727.258   61.444  1048.30   82.841  1039.73   85.440  1182.62  338.404  726.640   30.131  727.875  119.137 -1.235229 122.8883 
1 1 1  -11    9   12 o  848.388   27.847  1413.46   86.934  1386.42  106.084  1468.73  151.692  838.339   32.426  858.436   45.282 -20.09772 55.69470 
1 1 1  -11    9   13 o  651.881   25.068  840.797   59.762  841.214   72.832  839.936  104.552  653.687   28.551  650.076   41.213 3.610840 50.13678 
1 1 1  -11    9   14 o  466.702   22.985  414.955   37.997  395.288   44.645  466.639   72.374  448.424   25.512  484.980   38.241 -36.55597 45.97000 
1 1 1  -11    9   15 o  261.768   32.078  147.114   24.323  151.697   27.003  127.396   56.009  277.799   24.908  245.737   59.124 32.06206 64.15660 
1 1 1  -11    9   16 o  702.420   26.971  930.971   66.256  874.124   77.009  1092.95  129.993  665.694   29.644  739.147   45.067 -73.45313 53.94244 
1 1 1  -11    9   17 o  850.458   30.036  1404.85   90.088  1354.38  105.848  1537.50  171.595  827.418   32.781  873.497   50.340 -46.07898 60.07249 
1 1 1  -11    9   18 o  647.285   48.995  844.574  123.760   0.0000   0.0000  844.574  123.760  ?   ?   647.285   48.995      ?      ? 
1 1 1  -11    9   19 o  888.026   34.065  1565.91  118.050  1565.91  118.050   0.0000   0.0000  888.026   34.065  ?   ?       ?      ? 
1 1 1  -11    9   20 o  280.734   46.882  165.294   30.852  165.271   32.151  165.551  109.622  288.979   28.510  272.489   89.324 16.48999 93.76349 
1 1 1  -11    9   21 o  207.734   20.865   85.747   16.855   95.272   24.130   76.671   23.554  219.161   28.214  196.306   30.747 22.85567 41.73063 
1 1 1  -11    9   22 o  100.988   23.565   19.507   10.567   19.777   17.190   19.342   13.397  103.134   35.394   98.842   31.122 4.292152 47.13089 
1 1 1  -11    9   23 o  306.235   21.642  193.711   24.870  245.554   34.514  137.717   35.869  351.503   25.161  260.967   35.221 90.53601 43.28481 
1 1 1  -11    9   24 o  380.710   89.755  369.896  131.173   0.0000   0.0000  369.896  131.173  ?   ?   380.710   89.755      ?      ? 
1 1 1  -11    9   25 o   87.025   22.254   8.7939   8.8299   23.765   17.851   3.9439   10.160  109.375   36.054   64.676   26.097 44.69976 44.50819 
1 1 1  -11    9   26 o  393.437   21.178  308.882   32.221  282.995   42.247  344.881   49.819  374.476   28.910  412.399   30.956 -37.92294 42.35624 
1 1 1  -11    9   27 o  304.410   32.708  189.342   38.855   0.0000   0.0000  189.342   38.855  ?   ?   304.410   32.708      ?      ? 
1 1 1  -11    9   28 o  158.738   28.058   55.156   17.164   52.872   26.877   56.729   22.305  155.001   42.950  162.475   36.115 -7.474625 56.11602 
1 1 1  -11    9   29 o  170.919   27.360   66.251   18.230   45.725   28.254   80.890   23.861  143.699   45.188  198.140   30.859 -54.44031 54.71936 
1 1 1  -11    9   30 o  492.793   38.212  519.594   73.484   0.0000   0.0000  519.594   73.484  ?   ?   492.793   38.212      ?      ? 
1 1 1  -11    9   31 o  320.844   48.942  310.221   64.219  412.824   82.128  148.777  103.020  425.213   49.494  216.474   84.449 208.7383 97.88387 
1 1 1  -11    9   32 o  410.678   22.495  352.667   36.006  377.436   51.734  329.400   50.142  425.198   31.179  396.158   32.434 29.04050 44.98991 
1 1 1  -11    9   33 o  238.100   26.396  124.313   23.703  117.247   35.333  130.097   31.963  228.281   41.177  247.919   33.038 -19.63806 52.79224 
1 1 1  -11   10    1 o  928.245   46.593  1720.28  168.778  1720.28  168.778   0.0000   0.0000  928.245   46.593  ?   ?       ?      ? 
1 1 1  -11   10    2 o  389.530   47.149  355.446   49.850  376.346   54.867  256.591  119.328  436.777   32.190  342.283   88.635 94.49475 94.29882 
1 1 1  -11   10    3 o  450.130   69.450  448.799  118.565  448.250  168.016  449.342  167.340  449.725   98.464  450.535   97.970 -0.8099976 138.9006 
1 1 1  -11   10    4 o  431.225   49.171  456.429   57.860  497.853   64.490  285.490  131.006  502.312   32.900  360.138   92.676 142.1744 98.34233 
1 1 1  -11   10    5 o  360.112   43.894  321.806   45.439  359.547   51.308  184.570   97.839  427.208   30.776  293.016   82.216 134.1917 87.78716 
1 1 1  -11   10    6 o  219.801   26.311   97.018   21.688   73.487   29.685  123.960   31.764  188.879   41.415  250.722   32.465 -61.84268 52.62262 
1 1 1  -11   10    7 o  466.904   23.964  430.643   43.616  450.538   61.416  410.399   61.952  477.942   32.929  455.866   34.825 22.07614 47.92768 
1 1 1  -11   10    8 o  609.828   38.420  736.331   91.431   0.0000   0.0000  736.331   91.431  ?   ?   609.828   38.420      ?      ? 
1 1 1  -11   10    9 o  336.096   85.919  245.350  113.122   0.0000   0.0000  245.350  113.122  ?   ?   336.096   85.919      ?      ? 
1 1 1  -11   10   10 o  287.903   22.543  150.168   22.418  136.699   25.729  192.637   45.687  263.843   24.989  311.964   37.528 -48.12012 45.08673 
1 1 1  -11   10   11 f  414.929   23.740  352.172   35.281  373.779   42.982  307.549   61.768  436.207   25.250  393.651   40.209 42.55524 47.47956 
1 1 1  -11   10   12 o  430.578   24.390  379.610   37.132  400.049   44.720  334.243   66.627  451.190   25.399  409.966   41.646 41.22375 48.77993 
1 1 1  -11   10   13 o  579.797   24.354  653.218   50.444  636.397   59.915  694.166   93.482  568.714   26.997  590.880   40.541 -22.16638 48.70764 
1 1 1  -11   10   14 o  495.587   25.908  497.229   44.588  510.485   52.682  463.754   83.718  509.352   26.504  481.823   44.525 27.52881 51.81614 
1 1 1  -11   10   15 o  469.583   27.242  471.495   43.299  514.479   51.460  367.294   80.121  511.382   25.787  427.784   47.995 83.59784 54.48330 
1 1 1  -11   10   16 o  665.556   27.030  872.790   64.002  861.709   76.043  899.705  118.514  660.865   29.486  670.247   45.311 -9.381714 54.06034 
1 1 1  -11   10   17 f  256.751   39.543  159.611   33.938  180.455   38.629   89.081   71.058  301.905   32.788  211.596   71.968 90.30928 79.08519 
1 1 1  -11   10   18 o  515.657   33.593  548.908   52.237  556.896   58.118  515.317  119.176  531.132   28.040  500.182   61.056 30.95059 67.18688 
1 1 1  -11   10   19 o  375.216   32.164  252.594   33.764  239.945   36.311  333.420   91.784  348.574   26.694  401.859   58.528 -53.28540 64.32774 
1 1 1  -11   10   20 o  403.507   33.251  292.113   37.502  276.402   40.307  393.335  102.310  373.541   27.651  433.474   60.482 -59.93225 66.50257 
1 1 1  -11   10   21 o  260.918   41.428  204.877   33.906  228.697   36.048   22.147   99.842  339.416   27.216  182.421   78.258 156.9949 82.85547 
1 1 1  -11   10   22 o  342.581   59.648  268.087   38.643  267.336   39.495  284.926  187.092  366.288   27.630  318.874  116.051 47.41385 119.2952 
1 1 1  -11   10   23 o  150.784   47.246   9.7818   38.619   8.6399   41.319   17.672  108.607  120.753   51.017  180.815   79.536 -60.06215 94.49154 
1 1 1  -11   10   24 o  397.572   57.542  325.055   63.629  297.770   68.499  496.737  171.826  375.765   46.713  419.379  105.178 -43.61359 115.0845 
1 1 1  -11   10   25 o  464.612   90.180  563.608  157.609   0.0000   0.0000  563.608  157.609  ?   ?   464.612   90.180      ?      ? 
1 1 1  -11   10   26 o  264.235   49.520  201.389   36.597  209.211   37.488   42.686  168.859  321.400   29.889  207.070   94.423 114.3300 99.04045 
1 1 1  -11   10   27 o  206.777   53.898  108.240   55.108  125.123   58.701 -17.1561  159.977  228.117   63.569  185.436   87.058 42.68170 107.7966 
1 1 1  -11   10   28 f  120.942   27.120   29.313   13.750   36.897   23.826   25.525   16.837  131.158   41.527  110.726   34.893 20.43237 54.24007 
1 1 1  -11   10   29 o   74.377   22.782   0.8845   8.1261   9.2069   23.735  -0.2205   8.6487   95.283   39.340   53.470   22.988 41.81264 45.56450 
1 1 1  -11   10   30 o  182.818   41.811   75.296   29.181   75.296   29.181   0.0000   0.0000  182.818   41.811  ?   ?       ?      ? 
1 1 1  -11   10   31 o  411.760   22.563  353.662   36.198  340.329   49.533  368.944   53.030  403.860   31.429  419.659   32.381 -15.79901 45.12573 
1 1 1  -11   10   32 o  148.368   28.211   43.807   16.050   71.287   28.799   31.428   19.330  176.720   42.320  120.016   37.317 56.70481 56.42259 
1 1 1  -11   11    1 f  297.264   56.578  189.809   67.155  178.111   94.666  201.659   95.280  288.256   80.869  306.273   79.149 -18.01672 113.1557 
1 1 1  -11   11    2 o  591.414   81.361  790.674  181.015  796.750  256.739  784.668  255.256  593.808  114.948  589.019  115.176 4.788208 162.7223 
1 1 1  -11   11    3 o  429.535   47.850  454.897   57.793  505.745   65.329  271.871  123.945  506.345   33.062  352.725   89.808 153.6199 95.70063 
1 1 1  -11   11    4 o  335.197   44.939  244.213   43.429  250.988   47.868  212.684  103.268  356.552   34.403  313.841   83.033 42.71027 89.87804 
1 1 1  -11   11    5 o  1016.64   96.440  2451.59  214.117  2476.64  227.003  2249.58  644.679  1111.53   52.334  921.750  185.645 189.7766 192.8805 
1 1 1  -11   11    6 o  873.696   78.013  1871.61  175.311  1978.38  193.029  1368.81  418.890  994.722   49.727  752.669  147.889 242.0534 156.0256 
1 1 1  -11   11    7 o  304.525   81.605  199.770   98.942   0.0000   0.0000  199.770   98.942  ?   ?   304.525   81.605      ?      ? 
1 1 1  -11   11    8 o  405.094   48.257  397.458   53.872  430.336   59.882  257.881  123.383  467.055   32.854  343.133   90.749 123.9218 96.51357 
1 1 1  -11   11    9 o  481.356   26.245  460.949   49.040  497.563   67.981  421.221   70.811  501.817   34.714  460.895   39.370 40.92239 52.48916 
1 1 1  -11   11   10 o  221.582   36.394   99.220   30.615   81.833   39.716  124.682   48.060  198.299   51.026  244.866   51.907 -46.56686 72.78749 
1 1 1  -11   11   11 o  350.396   31.147  292.066   33.264  346.665   39.760  164.698   60.727  420.115   24.252  280.677   57.379 139.4382 62.29377 
1 1 1  -11   11   12 o  420.697   24.415  338.747   35.636  325.928   41.406  375.371   69.984  407.091   26.064  434.303   41.293 -27.21152 48.83059 
1 1 1  -11   11   13 f  965.047   31.341  1828.35  109.242  1777.12  130.865  1946.11  198.407  947.191   35.404  982.904   51.727 -35.71301 62.68249 
1 1 1  -11   11   14 o  197.806   35.055   85.581   21.762   89.734   23.571   61.608   56.631  213.385   28.307  182.226   64.142 31.15919 70.11012 
1 1 1  -11   11   15 o  689.910   27.437  922.527   66.861  891.006   78.656  1004.63  126.941  671.861   30.000  707.959   45.948 -36.09821 54.87407 
1 1 1  -11   11   17 o  754.655   31.719  1127.83   93.411  1127.83   93.411   0.0000   0.0000  754.655   31.719  ?   ?       ?      ? 
1 1 1  -11   11   18 o  495.308   31.707  478.926   47.884  469.481   52.982  521.042  111.879  487.363   27.858  503.253   56.968 -15.89047 63.41432 
1 1 1  -11   11   19 o  453.358   36.016  423.244   45.646  424.326   49.708  417.423  115.287  462.937   27.515  443.778   66.570 19.15842 72.03268 
1 1 1  -11   11   20 o  157.008   40.146   42.504   18.454   43.975   18.879   10.965   87.429  145.424   33.894  168.592   72.787 -23.16814 80.29145 
1 1 1  -11   11   21 o  116.574   42.094  -4.0463   10.887  -3.8803   10.932 -24.3331  120.816   56.024   24.909  177.124   80.419 -121.1007 84.18851 
1 1 1  -11   11   22 o  186.243   51.081   59.884   44.224   56.339   48.951   75.624  103.146  167.464   59.560  205.022   83.004 -37.55775 102.1616 
1 1 1  -11   11   23 o  179.871   43.574   64.664   23.407   66.492   23.995   28.674  106.445  177.702   35.838  182.040   79.438 -4.337891 87.14782 
1 1 1  -11   11   24 o  201.395   48.151   80.866   24.260   82.147   24.571   31.173  153.072  201.343   31.271  201.447   91.083 -0.1049347 96.30167 
1 1 1  -11   11   25 o  407.261   50.277  426.580   48.324  439.058   51.724  340.920  135.521  466.602   28.406  347.919   96.459 118.6832 100.5547 
1 1 1  -11   11   26 o  276.288   48.514  191.762   34.374  194.157   35.852  164.503  120.957  309.364   29.697  243.212   92.371 66.15213 97.02766 
1 1 1  -11   11   27 o  226.405   36.182  176.209   35.843  208.299   37.432 -177.9429  124.352  319.464   30.025  133.346   65.841 186.1185 72.36365 
1 1 1  -11   11   28 o  124.056   37.185   23.022   23.919   32.105   24.554 -145.9022  105.886  124.042   42.304  124.070   61.165 -0.2751160E-01 74.36949 
1 1 1  -11   11   29 o  355.408   43.227  432.001   51.170  544.555   59.405  108.367  100.732  513.482   29.646  197.335   81.212 316.1470 86.45358 
1 1 1  -11   11   30 o  228.012   39.832  170.220   36.197  190.810   38.140 -16.5392  114.867  301.908   32.373  154.115   72.790 147.7928 79.66398 
1 1 1  -11   11   31 o  169.285   43.765   61.164   28.072   58.944   29.646   80.424   87.327  159.519   45.432  179.050   74.816 -19.53053 87.53023 
1 1 1  -11   11   32 o  314.979   39.941  201.916   35.990  181.411   39.085  316.190   92.271  291.880   34.315  338.077   72.137 -46.19675 79.88276 
1 1 1  -11   12    1 o  519.534   53.468  638.055   76.026  683.349   84.736  451.096  172.156  587.796   36.941  451.273  100.353 136.5232 106.9367 
1 1 1  -11   12    2 o  631.815   62.951  881.895   97.443  894.685  104.707  799.198  266.245  671.801   39.940  591.830  119.398 79.97131 125.9011 
1 1 1  -11   12    3 o  1060.12   90.896  2337.09  203.628  2295.61  212.430  2806.77  714.772  1070.85   50.834  1049.40  174.540 21.45557 181.7925 
1 1 1  -11   12    4 o  691.817   67.514  1110.54  120.676  1150.95  131.842  901.815  299.632  760.483   44.425  623.151  127.511 137.3320 135.0288 
1 1 1  -11   12    5 o  577.456   54.172  625.172   82.478  603.148   88.012  783.959  236.321  551.294   40.910  603.618  100.325 -52.32416 108.3449 
1 1 1  -11   12    6 o  564.427   59.046  751.246   84.721  786.616   92.382  564.136  212.479  630.351   37.556  498.504  111.960 131.8474 118.0913 
1 1 1  -11   12    7 o  719.237   69.226  1123.44  114.575  1125.64  121.660  1106.23  340.712  752.733   41.417  685.740  132.111 66.99213 138.4513 
1 1 1  -11   12    8 o  254.899   41.928  135.818   34.428  137.986   38.272  126.622   78.817  263.953   37.155  245.846   75.175 18.10762 83.85542 
1 1 1  -11   12    9 o  703.532   66.590  1061.73  110.411  1060.32  117.528  1072.28  322.175  730.235   41.243  676.830  126.633 53.40509 133.1797 
1 1 1  -11   12   10 o  244.033   40.577  135.206   35.364  150.709   40.871   89.026   70.540  275.626   37.998  212.439   71.708 63.18759 81.15377 
1 1 1  -11   12   11 o  392.701   50.817  333.999   55.650  338.805   60.879  309.575  137.244  413.203   37.755  372.199   94.360 41.00388 101.6332 
1 1 1  -11   12   12 o  367.680   33.152  322.726   35.958  369.763   41.922  191.776   69.947  433.692   24.770  301.668   61.503 132.0240 66.30316 
1 1 1  -11   12   13 o  513.927   26.443  500.134   45.972  477.186   52.605  574.298   94.571  492.206   27.387  535.648   45.243 -43.44162 52.88622 
1 1 1  -11   12   14 o  472.926   28.993  472.361   45.027  498.825   52.199  395.416   89.006  503.300   26.577  442.551   51.538 60.74911 57.98684 
1 1 1  -11   12   16 o  1000.76   36.708  1993.77  143.358  1993.77  143.358   0.0000   0.0000  1000.76   36.708  ?   ?       ?      ? 
1 1 1  -11   12   17 o  507.190   30.900  463.050   46.725  435.513   50.935  609.286  117.378  469.394   27.806  544.986   55.191 -75.59207 61.79989 
1 1 1  -11   12   18 o  761.170   31.848  1152.79   94.600  1152.79   94.600   0.0000   0.0000  761.170   31.848  ?   ?       ?      ? 
1 1 1  -11   12   19 o  480.526   42.097  414.785   46.316  398.904   48.412  586.329  159.111  448.288   27.674  512.764   79.515 -64.47623 84.19312 
1 1 1  -11   12   20 o  224.844   51.267   44.861   18.979   40.462   19.189  242.898  128.756  139.106   35.293  310.583   96.269 -171.4771 102.5340 
1 1 1  -11   12   21 o  233.402   48.882  139.125   49.976  166.898   56.602   40.904  106.443  276.390   54.415  190.414   81.221 85.97588 97.76450 
1 1 1  -11   12   22 o  254.012   46.307  163.746   31.201  168.820   32.398   98.830  115.876  290.000   28.628  218.025   88.079 71.97479 92.61433 
1 1 1  -11   12   23 o  315.779   53.864  266.196   61.658  289.129   70.366  190.360  127.958  368.209   48.971  263.349   95.955 104.8605 107.7283 
1 1 1  -11   12   24 o  369.230   46.839  259.705   38.639  246.654   40.410  398.941  131.986  349.303   29.645  389.156   88.863 -39.85281 93.67702 
1 1 1  -11   12   25 o  299.379   46.970  278.595   40.925  299.930   43.312  100.914  124.991  385.115   28.820  213.643   89.410 171.4723 93.93956 
1 1 1  -11   12   26 o  286.590   49.523  167.981   32.488  161.380   33.703  254.586  122.080  281.177   30.716  292.004   94.164 -10.82666 99.04659 
1 1 1  -11   12   27 o  227.640   56.649  107.518   33.432  104.720   33.922  202.281  197.441  218.579   41.282  236.700  105.508 -18.12083 113.2970 
1 1 1  -11   12   28 o  156.777   40.755   58.361   27.569   67.014   28.089 -168.8156  143.921  172.632   42.078  140.923   69.809 31.70851 81.50944 
1 1 1  -11   12   29 o  130.664   40.133   22.445   23.045   23.619   23.804   4.9217   91.999  111.443   41.258  149.885   68.850 -38.44167 80.26569 
1 1 1  -11   12   30 o  161.894   37.274   69.937   28.637   84.153   30.413 -41.2048   85.039  193.370   41.542  130.417   61.901 62.95325 74.54862 
1 1 1  -11   12   31 o  171.079   36.412   84.988   29.975  102.912   31.606 -75.3774   94.538  215.374   39.043  126.785   61.473 88.58847 72.82360 
1 1 1  -11   13    1 o  499.786  103.773  556.904  195.775   0.0000   0.0000  556.904  195.775  ?   ?   499.786  103.773      ?      ? 
1 1 1  -11   13    2 o  236.649   43.147  120.952   40.529  142.311   52.879   90.538   63.101  261.697   53.582  211.602   67.642 50.09502 86.29320 
1 1 1  -11   13    3 o  169.197   35.217   59.971   25.650   75.338   32.721   35.478   41.311  190.770   44.729  147.624   54.409 43.14680 70.43456 
1 1 1  -11   13    4 o  436.020   49.862  409.223   60.255  415.984   66.173  376.412  145.771  458.375   36.994  413.665   92.608 44.71027 99.72343 
1 1 1  -11   13    5 o  842.370   77.426  1557.11  148.255  1555.11  157.193  1573.19  446.042  882.778   45.630  801.963  147.976 80.81555 154.8517 
1 1 1  -11   13    6 o  589.484   60.131  812.767   90.580  846.820   98.804  633.393  226.767  653.350   38.752  525.619  113.848 127.7309 120.2630 
1 1 1  -11   13    7 o  205.241   37.652   93.195   29.806  106.377   35.789   63.356   53.845  227.852   41.790  182.630   62.644 45.22256 75.30373 
1 1 1  -11   13    8 o  338.525   44.909  278.865   46.769  312.173   53.373  168.704   97.065  397.257   34.429  279.792   82.957 117.4642 89.81726 
1 1 1  -11   13    9 o  504.540   57.545  583.312   74.920  601.444   81.409  482.982  191.499  550.502   37.895  458.579  108.672 91.92303 115.0895 
1 1 1  -11   13   10 o  437.904   53.894  447.077   65.895  470.089   72.886  344.102  154.183  486.476   38.393  389.332  100.718 97.14441 107.7880 
1 1 1  -11   13   11 o  314.366   47.582  239.627   51.238  274.738   59.425  137.889  101.157  371.351   41.007  257.381   85.875 113.9695 95.16374 
1 1 1  -11   13   12 o  469.191   55.516  478.946   72.040  483.958   78.970  454.088  175.857  492.717   41.071  445.664  103.156 47.05301 111.0312 
1 1 1  -11   13   13 o  804.440   79.983  1505.56  149.821  1517.62  160.009  1419.80  426.685  869.074   47.180  739.806  152.851 129.2680 159.9668 
1 1 1  -11   13   14 o  437.078   35.083  379.275   59.840  379.275   59.840   0.0000   0.0000  437.078   35.083  ?   ?       ?      ? 
1 1 1  -11   13   15 o  803.060   31.181  1202.87   82.762  1127.11   93.413  1479.41  178.469  754.173   31.740  851.946   53.681 -97.77356 62.36224 
1 1 1  -11   13   16 o  668.271   35.018  808.756   66.788  765.914   72.127  1066.41  176.882  621.777   29.726  714.764   63.415 -92.98657 70.03596 
1 1 1  -11   13   17 o  262.187   41.047  103.485   24.609   95.030   25.563  210.477   90.931  218.749   29.946  305.626   76.438 -86.87732 82.09456 
1 1 1  -11   13   18 f  222.432   39.833  137.431   27.328  149.407   28.473  -2.5408   97.341  274.507   26.579  170.358   75.102 104.1495 79.66696 
1 1 1  -11   13   19 o  198.054   45.262   72.904   21.065   73.575   21.418   53.052  116.508  192.122   28.568  203.986   85.897 -11.86438 90.52316 
1 1 1  -11   13   20 o  392.808   79.654  366.589  117.923   0.0000   0.0000  366.589  117.923  ?   ?   392.808   79.654      ?      ? 
1 1 1  -11   13   21 o  893.923   64.012  1781.84  223.303   0.0000   0.0000  1781.84  223.303  ?   ?   893.923   64.012      ?      ? 
1 1 1  -11   13   22 o  536.898   44.209  616.582   83.138  578.347   97.251  720.388  160.243  522.057   47.736  551.739   74.424 -29.68188 88.41763 
1 1 1  -11   13   23 o  390.448   53.191  358.962   68.606  348.926   79.143  389.305  137.611  402.564   50.379  378.331   93.697 24.23318 106.3823 
1 1 1  -11   13   24 o  288.481   49.559  242.092   66.602  326.792   79.534   43.274  121.853  386.705   52.703  190.257   83.944 196.4479 99.11709 
1 1 1  -11   13   25 o  295.262   48.386  241.742   39.219  251.163   41.472  162.041  120.624  351.206   30.259  239.317   91.919 111.8890 96.77166 
1 1 1  -11   13   26 o  244.743   92.397  185.474  120.565   0.0000   0.0000  185.474  120.565  ?   ?   244.743   92.397      ?      ? 
1 1 1  -11   13   27 o  180.575   41.030   84.148   29.987   91.837   31.767   21.258   90.853  203.447   41.420  157.703   70.840 45.74316 82.06028 
1 1 1  -11   13   28 o  239.809   42.761  173.356   39.630  193.145   43.290   70.962   98.470  301.026   36.851  178.592   77.175 122.4330 85.52177 
1 1 1  -11   13   29 o  128.572   39.247   21.706   21.456   22.350   22.163   12.096   85.649  108.342   39.865  148.803   67.618 -40.46149 78.49477 
1 1 1  -11   13   30 o  231.011   46.809  127.977   33.090  123.967   34.827  165.198  106.110  240.228   37.150  221.793   85.932 18.43541 93.61875 
1 1 1  -11   13   31 o  134.264   46.098   12.354   21.054   12.074   21.219   30.213  169.513   93.849   37.769  174.679   84.104 -80.82946 92.19563 
1 1 1  -11   14    1 o  140.064   36.836   30.969   26.866   32.712   39.046   29.401   37.024  142.695   52.838  137.432   51.340 5.262756 73.67280 
1 1 1  -11   14    2 f  557.268  112.405  708.861  236.011  708.861  236.011   0.0000   0.0000  557.268  112.405  ?   ?       ?      ? 
1 1 1  -11   14    3 o  535.997   55.336  567.766   78.268  552.404   84.307  663.629  210.604  527.041   40.991  544.954  102.801 -17.91266 110.6722 
1 1 1  -11   14    4 o  482.040  104.015  524.429  189.923  524.429  189.923   0.0000   0.0000  482.040  104.015  ?   ?       ?      ? 
1 1 1  -11   14    5 o  267.206   38.890  172.182   38.873  229.239   48.533   70.066   64.928  340.109   36.567  194.304   68.649 145.8047 77.78051 
1 1 1  -11   14    6 o  620.834   61.640  864.089   98.134  881.068  106.511  768.715  252.440  665.347   41.022  576.320  116.255 89.02722 123.2797 
1 1 1  -11   14    7 o  271.671   45.437  154.169   43.282  155.594   49.938  149.867   86.769  278.854   45.890  264.489   78.437 14.36523 90.87498 
1 1 1  -11   14    8 o  716.970   69.367  1085.73  117.215  1073.64  124.537  1179.61  346.968  733.273   43.521  700.667  131.731 32.60596 138.7341 
1 1 1  -11   14    9 o  685.284   65.416  970.667  109.240  954.651  116.454  1088.05  315.268  691.433   43.159  679.135  123.507 12.29773 130.8311 
1 1 1  -11   14   10 o  155.678   39.581   36.964   33.334   68.800   45.206  -0.9709   49.347  183.807   57.054  127.549   54.876 56.25847 79.16155 
1 1 1  -11   14   11 o  287.623   46.156  191.954   49.410  225.193   59.579  118.737   88.426  335.143   45.555  240.102   80.290 95.04036 92.31280 
1 1 1  -11   14   12 o  405.151  113.298  390.933  186.126  390.933  186.126   0.0000   0.0000  405.151  113.298  ?   ?       ?      ? 
1 1 1  -11   14   13 o  727.080   75.001  1400.40  144.390  1531.41  161.706  885.112  320.710  871.398   47.553  582.762  142.264 288.6357 150.0015 
1 1 1  -11   14   14 o  429.603   57.168  461.976   76.841  514.640   88.306  297.739  155.944  505.395   44.774  353.811  105.205 151.5843 114.3363 
1 1 1  -11   14   15 o  200.212   43.390   55.882   18.569   52.878   18.980  123.068   89.762  160.532   31.422  239.892   80.891 -79.35985 86.77927 
1 1 1  -11   14   16 o  481.660  122.152  610.637  229.940   0.0000   0.0000  610.637  229.940  ?   ?   481.660  122.152      ?      ? 
1 1 1  -11   14   17 o  276.433   48.518  205.007   34.336  214.110   35.538   77.226  133.145  328.288   27.740  224.577   92.986 103.7111 97.03529 
1 1 1  -11   14   19 o  866.026   64.685  1653.45  218.609   0.0000   0.0000  1653.45  218.609  ?   ?   866.026   64.685      ?      ? 
1 1 1  -11   14   20 o  147.786   41.751   32.960   17.377   34.122   17.612  -9.6504  106.646  127.442   34.547  168.129   76.021 -40.68689 83.50296 
1 1 1  -11   14   21 f  141.568   41.256   29.848   17.468   31.619   17.678 -43.3526  113.670  122.767   35.124  160.369   74.662 -37.60210 82.51153 
1 1 1  -11   14   22 o  476.142   43.911  495.342   52.796  489.499   56.809  532.369  143.012  492.186   29.577  460.099   82.691 32.08765 87.82115 
1 1 1  -11   14   23 o  153.591   37.943   53.810   22.365   61.272   22.775 -147.5656  118.316  169.859   35.502  137.324   67.070 32.53471 75.88647 
1 1 1  -11   14   24 o  252.819   43.522  171.193   33.711  180.642   36.018  104.462   95.721  297.625   31.011  208.013   81.332 89.61162 87.04366 
1 1 1  -11   14   25 o  194.555   45.600   71.128   26.333   66.613   27.437  123.903   93.799  173.989   41.069  215.120   81.429 -41.13170 91.19950 
1 1 1  -11   14   26 o  116.584   39.934 -82.7654   54.427 -101.1818   70.992 -56.5059   84.771  104.902   51.386  128.265   61.141 -23.36327 79.86729 
1 1 1  -11   14   27 o  285.830   46.965  225.287   38.413  230.425   41.025  188.752  109.403  332.668   31.602  238.993   88.455 93.67450 93.93093 
1 1 1  -11   14   28 o  140.509   38.657   41.163   24.719   47.154   25.709 -32.1380   89.932  144.430   42.662  136.588   64.479 7.842133 77.31482 
1 1 1  -11   14   29 o  164.470   41.817   63.629   26.711   67.256   27.614   10.868  105.309  172.245   41.559  156.696   72.578 15.54816 83.63462 
1 1 1  -11   14   30 o  223.264   52.687  119.979   32.949  117.487   33.424  205.868  196.191  233.574   36.669  212.955   98.787 20.61861 105.3730 
1 1 1  -11   15    1 o  744.830  143.411  1369.36  401.718  1369.36  401.718   0.0000   0.0000  744.830  143.411  ?   ?       ?      ? 
1 1 1  -11   15    2 o  882.920  123.725  2099.76  411.167  2175.65  588.662  2027.47  574.550  900.636  173.784  865.205  176.155 35.43079 247.4501 
1 1 1  -11   15    3 o  461.452   71.929  481.648  126.040  476.374  179.083  486.825  177.422  458.318  102.676  464.586  100.762 -6.268005 143.8585 
1 1 1  -11   15    4 o  369.943   48.072  326.689   59.421  382.935   71.357  199.456  107.321  438.339   41.715  301.547   86.623 136.7921 96.14408 
1 1 1  -11   15    5 o  805.792   75.903  1364.30  142.571  1339.58  151.093  1565.08  430.604  817.249   47.376  794.334  144.225 22.91492 151.8067 
1 1 1  -11   15    6 o  556.745   59.281  622.914   90.095  604.030   97.747  729.552  232.283  549.250   45.604  564.241  109.441 -14.99084 118.5628 
1 1 1  -11   15    7 o  432.593   53.260  369.840   69.564  352.499   77.107  445.684  161.255  419.137   47.142  446.049   95.520 -26.91235 106.5193 
1 1 1  -11   15    8 o  390.928   50.673  352.544   62.477  379.759   71.842  268.089  126.558  436.134   42.211  345.723   92.137 90.41028 101.3460 
1 1 1  -11   15    9 o  472.185   45.267  447.007   83.412  447.007   83.412   0.0000   0.0000  472.185   45.267  ?   ?       ?      ? 
1 1 1  -11   15   10 o  650.234  136.267  1057.16  334.712  1057.16  334.712   0.0000   0.0000  650.234  136.267  ?   ?       ?      ? 
1 1 1  -11   15   11 o  370.696   72.287  323.061  108.488  286.017  162.417  352.905  145.779  348.912  108.118  392.479   95.978 -43.56741 144.5731 
1 1 1  -11   15   12 o  219.147   60.395   78.414   67.649   73.273  135.729   80.113   78.032  231.799   94.700  206.494   74.979 25.30464 120.7891 
1 1 1  -11   15   13 o  1113.02   55.789  2549.17  242.317  2549.17  242.317   0.0000   0.0000  1113.02   55.789  ?   ?       ?      ? 
1 1 1  -11   15   14 o  304.922   51.644  233.687   63.082  290.807   75.625  103.039  114.373  376.411   51.484  233.433   89.542 142.9780 103.2879 
1 1 1  -11   15   15 o  253.673   52.626  156.841   57.877  190.116   67.817   67.631  111.043  295.892   60.766  211.453   85.939 84.43831 105.2517 
1 1 1  -11   15   16 o  289.767   50.014  212.141   35.593  218.474   36.970  131.816  131.663  331.262   28.599  248.271   95.852 82.99139 100.0276 
1 1 1  -11   15   18 o  195.865   44.317   82.456   23.670   85.415   24.095   0.8355  126.546  206.284   29.932  185.446   83.426 20.83806 88.63303 
1 1 1  -11   15   19 o  306.641   55.549  230.927   36.801  231.951   37.722  210.728  167.556  339.907   28.439  273.375  107.396 66.53140 111.0976 
1 1 1  -11   15   21 o  179.385   48.873   56.322   21.926   57.666   22.098 -28.9604  176.026  164.907   35.397  193.863   91.112 -28.95547 97.74664 
1 1 1  -11   15   22 o  241.123   47.414  125.247   28.930  123.828   29.910  145.845  113.971  246.850   31.049  235.395   89.601 11.45555 94.82824 
1 1 1  -11   15   23 o  175.992   48.765   34.150   18.557   31.444   18.787  142.496  118.876  122.065   36.566  229.919   90.416 -107.8543 97.53072 
1 1 1  -11   15   24 o  224.417   43.338  140.220   35.199  151.501   37.192   43.316  109.004  269.871   35.315  178.963   79.155 90.90814 86.67603 
1 1 1  -11   15   25 o  145.942   44.273   21.805   18.534   19.772   18.837   83.562  103.810  102.433   36.892  189.452   80.496 -87.01928 88.54672 
1 1 1  -11   15   26 o  158.252   47.280   30.700   59.026   91.409   68.407 -146.2401  116.784  187.386   69.828  129.118   63.763 58.26782 94.56048 
1 1 1  -11   15   27 o  224.414   43.711  142.201   34.331  149.119   36.185   79.829  108.655  265.431   34.934  183.397   80.138 82.03371 87.42141 
1 1 1  -11   15   28 o  186.837   46.025   81.595   30.029   81.413   31.132   84.025  113.848  189.067   43.147  184.607   81.311 4.460449 92.04953 
1 1 1  -11   15   29 o  191.311   49.061   87.902   30.762   88.705   31.187   59.057  186.969  197.820   41.713  184.802   88.814 13.01796 98.12238 
1 1 1  -11   16    1 o  260.875   54.897  146.110   60.255  131.244   86.083  160.391   84.369  249.365   78.931  272.384   76.319 -23.01900 109.7933 
1 1 1  -11   16    2 o  347.042   62.954  268.210   85.704  260.123  121.995  276.090  120.428  341.455   90.205  352.628   87.841 -11.17279 125.9086 
1 1 1  -11   16    3 o  284.500   57.921  176.442   67.753  178.076   97.772  174.933   93.975  285.635   82.862  283.364   80.952 2.271271 115.8421 
1 1 1  -11   16    4 o  394.349   67.414  350.748  102.554  356.452  147.670  345.434  142.532  397.019   96.300  391.680   94.367 5.338837 134.8285 
1 1 1  -11   16    5 o  457.911   52.776  469.056   78.552  497.585   92.162  393.287  150.193  497.607   47.460  418.216   94.281 79.39130 105.5527 
1 1 1  -11   16    6 o  564.862   61.582  751.740  101.411  796.908  114.645  589.271  217.432  629.856   46.642  499.869  113.992 129.9872 123.1648 
1 1 1  -11   16    7 o  210.639   70.694   89.224   68.556   89.224   68.556   0.0000   0.0000  210.639   70.694  ?   ?       ?      ? 
1 1 1  -11   16    8 f  397.082  103.465  367.753  161.941  367.753  161.941   0.0000   0.0000  397.082  103.465  ?   ?       ?      ? 
1 1 1  -11   16    9 o  319.631   65.312  226.335   85.109  273.342  133.638  194.259  110.392  344.664   95.868  294.598   88.725 50.06631 130.6246 
1 1 1  -11   16   10 o  846.641   83.056  1755.29  176.317  1786.21  191.594  1584.24  450.598  936.058   52.450  757.224  157.614 178.8340 166.1117 
1 1 1  -11   16   11 o  385.128   55.503  352.421   74.322  391.318   88.738  261.022  136.026  437.513   51.974  332.743   98.086 104.7701 111.0051 
1 1 1  -11   16   12 o  263.579   54.666  159.940   60.315  181.743   75.123  120.392  101.175  287.426   68.032  239.732   85.588 47.69373 109.3328 
1 1 1  -11   16   13 o  276.621   56.564  177.844   62.963  188.574   76.127  154.613  112.015  291.630   68.123  261.612   90.318 30.01849 113.1283 
1 1 1  -11   16   14 o  251.269   51.706  151.337   58.763  201.226   73.315   61.712   98.267  301.987   64.190  200.551   81.079 101.4353 103.4123 
1 1 1  -11   16   15 f  403.689  114.395  447.691  188.445   0.0000   0.0000  447.691  188.445  ?   ?   403.689  114.395      ?      ? 
1 1 1  -11   16   16 f  331.292   57.764  295.413   74.803  339.806   87.208  171.805  145.518  398.894   56.023  263.689  101.036 135.2048 115.5282 
1 1 1  -11   16   17 o  154.454   40.980   43.303   17.770   45.702   17.972 -61.5330  118.794  147.845   32.073  161.063   75.425 -13.21791 81.96069 
1 1 1  -11   16   19 f  187.621   47.305   68.223   23.314   69.712   23.611   10.259  147.325  182.154   34.478  193.087   88.105 -10.93251 94.61079 
1 1 1  -11   16   20 o  345.646   65.728  357.322   88.242  376.780   97.473  268.941  207.734  409.183   61.043  282.110  116.423 127.0728 131.4556 
1 1 1  -11   16   21 o  195.371   59.069   27.546   16.706   25.719   16.770  264.035  190.768  111.733   34.761  279.009  112.908 -167.2758 118.1384 
1 1 1  -11   16   22 o  391.892   67.194  453.933   54.956  453.567   56.141  462.341  268.947  471.857   30.489  311.926  130.884 159.9313 134.3880 
1 1 1  -11   16   23 o   75.037   30.582   5.2851   14.112   5.2851   14.112   0.0000   0.0000   75.037   30.582  ?   ?       ?      ? 
1 1 1  -11   16   24 o  147.637   37.061   47.747   21.320   47.747   21.320   0.0000   0.0000  147.637   37.061  ?   ?       ?      ? 
1 1 1  -11   16   25 o  277.625   33.344  161.517   36.125  161.517   36.125   0.0000   0.0000  277.625   33.344  ?   ?       ?      ? 
1 1 1  -11   16   26 o  226.517   53.686  128.096   32.793  128.158   33.004  123.350  290.182  246.424   34.320  206.609  101.739 39.81554 107.3719 
1 1 1  -11   16   27 o  239.483   55.234  143.178   33.468  141.604   33.750  236.348  259.654  259.343   33.348  219.624  105.314 39.71951 110.4675 
1 1 1  -11   16   28 o  191.326   51.206   81.322   30.498   80.658   30.877  107.910  195.407  187.667   43.073  194.985   92.913 -7.318497 102.4116 
1 1 1  -11   17    1 o  132.309   36.554   16.330   27.940   42.960   43.358  -2.5788   36.537  155.810   55.986  108.809   47.015 47.00082 73.10817 
1 1 1  -11   17    2 f  242.611   51.892  122.014   54.194  163.220   80.604   88.019   73.211  273.952   73.758  211.270   73.012 62.68146 103.7838 
1 1 1  -11   17    3 o  325.307   88.966  237.952  116.193  237.952  116.193   0.0000   0.0000  325.307   88.966  ?   ?       ?      ? 
1 1 1  -11   17    4 o  707.704  144.769  1294.45  386.335  1294.45  386.335   0.0000   0.0000  707.704  144.769  ?   ?       ?      ? 
1 1 1  -11   17    5 o  458.818   74.145  490.750  129.824  537.598  189.393  449.226  178.306  480.590  104.004  437.047  105.702 43.54242 148.2895 
1 1 1  -11   17    6 o  160.468   44.924   29.078   39.017   53.381   70.754   18.459   46.771  183.529   70.421  137.407   55.801 46.12279 89.84892 
1 1 1  -11   17    7 o  680.903  146.546  1239.51  377.862  1239.51  377.862   0.0000   0.0000  680.903  146.546  ?   ?       ?      ? 
1 1 1  -11   17    8 o  251.975   54.820  139.299   59.201  145.358   81.100  132.388   86.617  256.981   75.732  246.969   79.282 10.01167 109.6403 
1 1 1  -11   17    9 o  191.594   45.865   43.415   47.739  144.268   73.635 -29.7132   62.702  255.798   71.167  127.390   57.875 128.4081 91.72985 
1 1 1  -11   17   10 o  206.316   52.901   82.234   55.442  102.032   78.307   62.333   78.508  220.401   75.547  192.230   74.072 28.17113 105.8020 
1 1 1  -11   17   11 o  523.974   62.912  685.787  102.905  744.297  119.617  519.179  201.849  600.756   51.023  447.191  115.014 153.5645 125.8234 
1 1 1  -11   17   12 o  209.941   52.814   84.580   57.132  135.240   82.212   37.264   79.452  244.259   77.117  175.622   72.183 68.63713 105.6287 
1 1 1  -11   17   13 o  179.255   52.479   39.456   59.954   34.674   87.378   43.710   82.414  178.425   74.721  180.086   73.708 -1.660736 104.9576 
1 1 1  -11   17   14 o  190.863   54.326   59.890   62.171   69.820   83.331   47.424   93.368  194.585   75.940  187.141   77.707 7.444611 108.6521 
1 1 1  -11   17   15 o  195.449   53.567   72.931   60.612  104.018   76.644   21.032   99.032  214.432   74.670  176.467   76.824 37.96445 107.1334 
1 1 1  -11   17   16 o  230.290   53.665  122.039   68.433  208.423   86.686 -20.8393  111.484  293.311   75.337  167.269   76.448 126.0413 107.3309 
1 1 1  -11   17   17 o  231.940   60.267  134.847   72.436  155.759   86.997   87.582  130.790  249.428   79.391  214.452   90.695 34.97554 120.5341 
1 1 1  -11   17   18 o  577.995   31.111  677.239   70.173  677.239   70.173   0.0000   0.0000  577.995   31.111  ?   ?       ?      ? 
1 1 1  -11   17   19 o  244.400   52.135  138.211   30.529  139.271   31.026  105.943  171.165  262.175   30.325  226.626   99.764 35.54852 104.2708 
1 1 1  -11   17   20 o  187.897   52.848   53.293   20.541   53.131   20.657   67.520  193.404  158.136   34.449  217.659   99.925 -59.52303 105.6963 
1 1 1  -11   17   21 o  218.110   56.423   87.240   27.343   86.199   27.569  149.805  213.768  201.238   36.448  234.982  106.797 -33.74364 112.8456 
1 1 1  -11   17   22 o  359.574  158.565  1186.66  434.218   0.0000   0.0000  1186.66  434.218  ?   ?   359.574  158.565      ?      ? 
1 1 1  -11   17   23 o  193.225   35.928   80.591   26.094   80.591   26.094   0.0000   0.0000  193.225   35.928  ?   ?       ?      ? 
1 1 1  -11   17   24 o  194.362   59.795   46.862   23.811   43.834   23.937  331.713  232.154  140.130   41.100  248.594  112.306 -108.4632 119.5903 
1 1 1  -11   17   25 o  209.705   56.166   86.483   27.346   84.678   27.508  238.254  252.232  196.636   37.211  222.774  105.990 -26.13805 112.3326 
1 1 1  -11   17   26 o  323.117   57.424  356.453   50.188  357.517   51.076  326.673  270.311  413.596   31.645  232.638  110.403 180.9579 114.8485 
1 1 1  -11   17   27 o  242.863   46.493  194.141   39.883  202.403   40.656 -17.0639  205.553  309.203   33.694  176.524   86.667 132.6787 92.98593 
1 1 1  -11   18    1 o  127.772   38.146   6.6681   32.578  -5.0449   50.694   14.909   42.521  125.940   54.893  129.604   52.984 -3.663651 76.29189 
1 1 1  -11   18    2 o  153.534   43.129   28.168   38.126   41.983   59.782   18.698   49.499  166.850   64.540  140.218   57.226 26.63144 86.25729 
1 1 1  -11   18    3 o  567.605  125.105  816.173  269.645  816.173  269.645   0.0000   0.0000  567.605  125.105  ?   ?       ?      ? 
1 1 1  -11   18    4 o  297.847   62.978  202.517   78.463  211.409  118.230  195.519  104.891  302.635   91.972  293.059   86.059 9.575928 125.9569 
1 1 1  -11   18    5 o  403.270   73.867  395.874  117.372  371.123  170.094  418.372  162.168  388.014  108.239  418.526  100.548 -30.51199 147.7346 
1 1 1  -11   18    6 o  439.022  113.513  486.018  195.911  486.018  195.911   0.0000   0.0000  439.022  113.513  ?   ?       ?      ? 
1 1 1  -11   18    7 o  236.798   55.006  117.875   58.873  156.820   90.432   89.227   77.561  263.276   80.527  210.320   74.953 52.95677 110.0116 
1 1 1  -11   18    8 o  670.820   60.170  947.306  157.512  947.306  157.512   0.0000   0.0000  670.820   60.170  ?   ?       ?      ? 
1 1 1  -11   18    9 o  253.654   51.697  130.184   60.323  242.742   91.152   42.476   80.463  327.711   73.131  179.598   73.091 148.1137 103.3949 
1 1 1  -11   18   10 o  293.146   66.606  208.943   86.572  242.623  127.649  180.257  117.806  312.278   95.699  274.014   92.668 38.26361 133.2128 
1 1 1  -11   18   11 o  230.526   60.976  114.331   73.170  119.479  113.661  110.688   95.618  235.207   89.491  225.846   82.847 9.361115 121.9520 
1 1 1  -11   18   12 f  511.144   64.193  669.991  107.012  716.091  126.185  551.911  201.950  579.573   55.791  442.715  115.631 136.8579 128.3869 
1 1 1  -11   18   13 o  277.605   60.694  197.538   75.627  241.888   99.334  136.384  116.645  314.918   80.517  240.292   90.842 74.62560 121.3890 
1 1 1  -11   18   14 o  244.299   55.011  140.582   69.945  234.457   92.993   18.289  106.140  310.466   77.105  178.133   78.482 132.3325 110.0212 
1 1 1  -11   18   15 o  828.795   55.120  1493.43  178.273  1493.43  178.273   0.0000   0.0000  828.795   55.120  ?   ?       ?      ? 
1 1 1  -11   18   16 o  438.517   63.696  598.475  101.866  718.372  120.799  303.349  189.523  574.605   53.872  302.428  115.442 272.1765 127.3928 
1 1 1  -11   18   17 o  252.666   62.215  178.043   79.925  212.784   94.163   88.508  151.165  287.876   80.615  217.456   94.785 70.42006 124.4310 
1 1 1  -11   18   18 o  254.083   63.241  186.401   84.265  225.115   97.687   73.836  166.572  293.432   82.088  214.734   96.226 78.69771 126.4828 
1 1 1  -11   18   19 o  413.014   66.354  525.449   60.392  530.725   62.210  439.097  251.671  510.230   31.244  315.798  128.978 194.4318 132.7083 
1 1 1  -11   18   20 o  262.839  114.680  269.280  221.766   0.0000   0.0000  269.280  221.766  ?   ?   262.839  114.680      ?      ? 
1 1 1  -11   18   21 o  294.665   30.648  178.486   35.243  178.486   35.243   0.0000   0.0000  294.665   30.648  ?   ?       ?      ? 
1 1 1  -11   18   22 o  772.584   34.829  1253.84  105.006  1253.84  105.006   0.0000   0.0000  772.584   34.829  ?   ?       ?      ? 
1 1 1  -11   18   23 o  151.141   54.514   5.0091   14.450   3.9229   14.485  232.249  209.506   73.485   30.568  228.798  104.656 -155.3126 109.0285 
1 1 1  -11   18   24 o  132.688   48.132   6.8615   15.967   6.8887   16.010   1.8287  217.500   80.123   32.605  185.253   90.575 -105.1299 96.26485 
1 1 1  -11   18   25 o  332.086   62.739  434.468   93.168  450.478   99.989  328.983  256.655  429.026   59.722  235.145  110.355 193.8818 125.4789 
1 1 1  -11   18   26 o  237.183   51.937  147.446   34.399  146.025   34.968  190.066  191.479  262.307   34.161  212.058   98.096 50.24947 103.8736 
1 1 1  -11   19    1 o  405.336   69.607  389.652  110.050  520.075  167.594  290.785  145.917  467.847   95.038  342.826  101.727 125.0210 139.2145 
1 1 1  -11   19    2 o  159.139   43.965   13.661   40.424   85.912   69.626 -23.0784   49.650  204.423   71.170  113.854   51.639 90.56950 87.93068 
1 1 1  -11   19    3 o  545.286   79.948  727.315  167.030  999.499  261.307  539.270  217.196  642.350  104.243  448.221  121.243 194.1295 159.8953 
1 1 1  -11   19    4 o  432.831  112.796  487.469  192.449  487.469  192.449   0.0000   0.0000  432.831  112.796  ?   ?       ?      ? 
1 1 1  -11   19    5 o  183.448   48.204   30.016   44.513  131.719   86.125  -7.0540   51.996  241.861   79.169  125.035   55.015 116.8263 96.40707 
1 1 1  -11   19    6 o  140.921   43.243 -29.2057   37.011   64.869   82.169 -53.1497   41.454  193.451   75.433   88.392   42.305 105.0583 86.48604 
1 1 1  -11   19    8 o  245.627   64.653   56.299   57.630  318.922  174.931   24.325   61.037  338.956  112.921  152.298   63.000 186.6583 129.3062 
1 1 1  -11   19    9 o  506.326   68.493  569.045  135.335  569.045  135.335   0.0000   0.0000  506.326   68.493  ?   ?       ?      ? 
1 1 1  -11   19   10 o  398.074   68.611  386.881  100.866  330.541  122.862  503.353  176.653  364.609   87.471  431.539  105.729 -66.93039 137.2219 
1 1 1  -11   19   11 o  193.565   55.954   59.251   68.642   20.528   99.173   94.859   95.102  175.726   76.680  211.405   81.507 -35.67908 111.9073 
1 1 1  -11   19   12 f  346.826   65.139  335.245   92.416  386.080  115.972  246.800  152.970  401.021   76.904  292.631  105.158 108.3898 130.2786 
1 1 1  -11   19   13 o  289.667   63.501  231.148   86.050  302.188  113.201  133.915  132.436  343.949   84.861  235.384   94.488 108.5650 127.0018 
1 1 1  -11   19   14 o  210.444   61.042   92.173   80.091   98.584  107.833   84.286  119.614  212.292   85.246  208.596   87.394 3.695145 122.0843 
1 1 1  -11   19   15 o  308.071   52.831  263.426   81.823  412.321  104.075   22.449  132.402  426.898   62.473  189.244   85.216 237.6543 105.6624 
1 1 1  -11   19   16 o  279.467   58.976  231.890   81.693  300.434   96.756   61.704  152.460  351.157   72.989  207.776   92.658 143.3811 117.9525 
1 1 1  -11   19   17 o  214.023   64.665   84.453   82.023   61.220   93.028  165.594  173.852  185.251   77.298  242.795  103.688 -57.54369 129.3298 
1 1 1  -11   19   18 o  264.646   85.314  259.633  177.671  421.035  357.068  206.522  204.828  279.120  130.728  250.171  109.654 28.94879 170.6274 
1 1 1  -11   19   19 o  224.620  110.527   68.947  340.379   68.947  340.379   0.0000   0.0000  224.620  110.527  ?   ?       ?      ? 
1 1 1  -11   19   20 f  165.312   36.244   59.379   22.737   59.379   22.737   0.0000   0.0000  165.312   36.244  ?   ?       ?      ? 
1 1 1  -11   19   21 o  201.913   50.146   89.017   26.953   89.486   27.183   61.609  207.818  206.660   33.706  197.166   94.458 9.493851 100.2915 
1 1 1  -11   19   22 o  147.749   38.129   48.495   22.132   48.495   22.132   0.0000   0.0000  147.749   38.129  ?   ?       ?      ? 
1 1 1  -11   19   23 o  171.459   51.216   45.987   20.375   45.530   20.466   97.038  216.296  143.589   36.458  199.328   95.724 -55.73906 102.4318 
1 1 1  -11   19   24 o  150.986   45.237   40.623   22.863   42.687   23.032 -98.7981  189.293  137.989   40.271  163.983   81.018 -25.99355 90.47437 
1 1 1  -11   19   25 f  181.105   56.078   72.828   57.107   65.829   60.677  127.114  168.989  164.691   64.651  197.519   91.646 -32.82768 112.1551 
1 1 1  -11   20    1 o  343.419   63.323  292.114   88.942  385.444  126.633  201.247  124.951  403.142   83.250  283.696   95.439 119.4466 126.6459 
1 1 1  -11   20    2 o  328.261   95.770  274.471  130.274   0.0000   0.0000  274.471  130.274  ?   ?   328.261   95.770      ?      ? 
1 1 1  -11   20    3 o   48.634   24.571 -74.0230   22.428   0.0000   0.0000 -74.0230   22.428  ?   ?    48.634   24.571      ?      ? 
1 1 1  -11   20    4 o  114.049   51.285 -15.7845   47.760   0.0000   0.0000 -15.7845   47.760  ?   ?   114.049   51.285      ?      ? 
1 1 1  -11   20    5 o  137.629   44.046 -20.0650   39.108   26.651   90.765 -30.7148   43.337  174.901   74.813  100.357   46.510 74.54379 88.09150 
1 1 1  -11   20    6 o  238.471   60.906  109.099   68.557  214.528  126.741   65.491   81.512  286.921   96.123  190.021   74.824 96.90079 121.8124 
1 1 1  -11   20    7 o  289.714   71.225  225.878   97.323  227.551  158.889  224.873  123.123  286.846  106.514  292.581   94.587 -5.734680 142.4497 
1 1 1  -11   20    8 o  258.776   68.372  145.095   88.732  272.809  158.333   86.620  107.137  307.449  107.309  210.102   84.757 97.34689 136.7444 
1 1 1  -11   20    9 o  360.760   72.383  366.045  106.395  373.625  139.350  355.452  164.749  374.773   95.119  346.747  109.130 28.02649 144.7653 
1 1 1  -11   20   10 o  167.464   52.731   1.6392   63.365   49.293  116.927 -18.1743   75.396  194.588   84.092  140.340   63.645 54.24788 105.4619 
1 1 1  -11   20   11 o  152.354   49.562 -41.6115   62.053   35.688  111.467 -76.3260   74.698  185.631   81.140  119.078   56.937 66.55276 99.12333 
1 1 1  -11   20   12 o  237.809   63.606  142.651   83.738  191.477  115.535   88.619  121.539  265.002   91.712  210.617   88.157 54.38535 127.2114 
1 1 1  -11   20   13 f  306.101   63.065  278.708   94.116  378.042  118.031  105.283  155.956  387.935   80.599  224.268   97.018 163.6666 126.1294 
1 1 1  -11   20   14 o  225.909   62.111  126.030   84.834  179.241  105.959   31.018  141.588  257.340   87.881  194.478   87.796 62.86169 124.2223 
1 1 1  -11   20   15 o  212.421   61.467  104.459   81.307  126.809   97.750   54.276  146.475  223.196   83.413  201.646   90.307 21.54974 122.9348 
1 1 1  -11   20   16 o  197.444   67.803 -32.1424  128.863   12.130  304.779 -41.7798  142.199  223.232  108.722  171.656   81.048 51.57552 135.6070 
1 1 1  -11   20   17 o  189.078   95.215 -329.9633  321.652 -329.9633  321.652   0.0000   0.0000  189.078   95.215  ?   ?       ?      ? 
1 1 1  -11   20   18 o  285.700   84.543  236.609  100.886  236.609  100.886   0.0000   0.0000  285.700   84.543  ?   ?       ?      ? 
1 1 1  -11   20   19 o  173.618   54.930   49.399   70.370   71.823   75.924 -87.2594  187.430  176.590   71.311  170.646   83.570 5.943481 109.8602 
1 1 1  -11   20   20 f  159.920   54.450  -2.9453   61.237  -9.5295   64.513   56.980  194.628  127.038   58.097  192.802   92.109 -65.76437 108.9001 
1 1 1  -11   20   21 o  208.623   51.243   97.471   26.749   97.462   26.925   98.139  234.313  216.004   31.942  201.243   97.382 14.76128 102.4867 
1 1 1  -11   20   22 o  163.851   35.408   58.774   21.980   58.774   21.980   0.0000   0.0000  163.851   35.408  ?   ?       ?      ? 
1 1 1  -11   20   23 o  135.130   46.899   11.626   16.515   11.279   16.590   49.607  173.667   86.813   33.883  183.448   87.464 -96.63474 93.79785 
1 1 1  -11   20   24 o  162.718   49.111   57.364   55.767   82.660   59.935 -105.7786  152.208  176.987   65.478  148.449   73.212 28.53850 98.22128 
1 1 1  -11   21    1 o  161.842   48.952   16.612   54.289   51.129   85.726  -6.4997   70.147  182.097   74.927  141.587   63.017 40.51004 97.90413 
1 1 1  -11   21    2 o  133.020   43.693 -32.1985   46.836 -23.2256   93.651 -35.1912   54.085  154.290   70.341  111.749   51.849 42.54077 87.38537 
1 1 1  -11   21    3 o  243.198   60.773  117.027   72.195  247.154  124.885   51.712   88.478  302.935   94.961  183.461   75.868 119.4745 121.5461 
1 1 1  -11   21    4 o  256.276   66.139  171.145   85.909  157.704  135.512  180.176  111.085  249.242   96.959  263.311   89.981 -14.06882 132.2787 
1 1 1  -11   21    5 o  113.780   39.714 -101.6369   39.557 -16.6355   93.844 -120.0030   43.621  156.054   70.862   71.506   35.881 84.54814 79.42796 
1 1 1  -11   21    6 o  272.319   70.098  191.585   91.887  269.946  160.584  153.438  112.042  299.624  107.736  245.016   89.711 54.60799 140.1961 
1 1 1  -11   21    7 o  231.259   64.767  102.753   76.802  216.822  154.806   65.510   88.456  273.351  104.336  189.167   76.767 84.18411 129.5345 
1 1 1  -11   21    8 o  285.332   71.982  246.388  112.864  108.007  186.220  326.733  141.894  232.982  103.234  337.682  100.341 -104.6994 143.9637 
1 1 1  -11   21    9 o  643.835   73.660  985.478  185.072  985.478  185.072   0.0000   0.0000  643.835   73.660  ?   ?       ?      ? 
1 1 1  -11   21   10 o  206.328   60.611   84.444   80.300  101.191  117.490   69.762  110.003  214.645   87.948  198.012   83.428 16.63327 121.2227 
1 1 1  -11   21   11 o  307.052   67.166  266.985   87.017  265.727  106.899  269.455  149.812  318.046   84.640  296.057  104.312 21.98883 134.3316 
1 1 1  -11   21   12 o  192.711   55.304   74.368   66.026   97.820   83.183   34.430  108.549  204.475   76.842  180.948   79.556 23.52638 110.6071 
1 1 1  -11   21   13 o  210.086   61.086   97.904   75.625   92.965   89.551  110.183  141.207  201.254   78.673  218.919   93.468 -17.66440 122.1712 
1 1 1  -11   21   14 o  187.083   62.891 -49.8866  131.057 -371.9522  262.662   56.872  151.226  173.533   87.209  200.634   90.640 -27.10103 125.7815 
1 1 1  -11   21   15 o  198.579   98.323 -126.6579  284.268 -126.6579  284.268   0.0000   0.0000  198.579   98.323  ?   ?       ?      ? 
1 1 1  -11   21   16 o  169.687   56.275 -26.0532   80.258 -72.8372   93.490  105.030  156.490  131.493   63.090  207.880   93.204 -76.38750 112.5491 
1 1 1  -11   21   17 o  247.102   61.966  189.242   71.735  187.561   81.482  195.035  151.257  260.344   75.679  233.860   98.142 26.48457 123.9325 
1 1 1  -11   21   18 o  158.710   49.363   36.890   55.542   43.678   64.702   17.876  108.282  154.588   64.480  162.832   74.760 -8.243835 98.72546 
1 1 1  -11   21   19 o  220.200   59.140  145.254   64.586  140.798   72.110  163.327  145.222  224.295   72.374  216.106   93.553 8.188568 118.2800 
1 1 1  -11   21   20 o  168.352   54.480   33.923   60.268   23.071   65.304   96.253  156.510  142.247   62.143  194.457   89.501 -52.21013 108.9593 
1 1 1  -11   21   21 o  151.156   51.572  -8.2886   55.218 -14.2255   58.248   44.356  173.453  118.771   54.641  183.541   87.481 -64.76956 103.1440 
1 1 1  -11   21   22 o  179.941   63.548   84.318   55.632   84.318   55.632   0.0000   0.0000  179.941   63.548  ?   ?       ?      ? 
1 1 1  -11   21   23 o  252.320   68.302  154.251   61.472  117.188   64.521  518.850  202.363  203.256   68.580  301.385  118.141 -98.12943 136.6038 
1 1 1  -11   22    1 o  279.122   63.980  202.945   88.767  327.066  127.466   86.069  123.690  347.781   92.363  210.462   88.558 137.3190 127.9593 
1 1 1  -11   22    2 o  184.931   53.831   36.644   62.897  124.319  103.735 -14.3249   79.094  225.589   85.575  144.274   65.331 81.31479 107.6624 
1 1 1  -11   22    3 o  170.066   52.149   24.821   60.801   50.668  104.709   11.673   74.680  187.935   80.370  152.198   66.473 35.73668 104.2980 
1 1 1  -11   22    4 o  397.904   85.310  510.065  143.035  646.685  224.346  416.496  185.664  439.444  124.918  356.363  116.219 83.08127 170.6208 
1 1 1  -11   22    5 o  130.318   44.470 -67.7686   51.568 -42.1781  113.350 -74.4475   57.907  159.387   74.323  101.249   48.852 58.13803 88.94032 
1 1 1  -11   22    6 o  317.973   78.144  302.736  115.278  430.839  193.273  231.997  143.623  356.561  118.689  279.385  101.680 77.17596 156.2874 
1 1 1  -11   22    7 o  205.514   62.821   67.903   80.488  112.584  167.572   54.504   91.767  228.095   99.599  182.934   76.589 45.16130 125.6416 
1 1 1  -11   22    8 o  217.033   65.957   76.401   81.288  191.895  186.975   49.484   90.265  254.776  108.132  179.290   75.558 75.48648 131.9146 
1 1 1  -11   22    9 o  238.923   71.008  104.936   90.201  308.918  208.189   57.796  100.082  290.924  117.874  186.922   79.210 104.0018 142.0155 
1 1 1  -11   22   10 o  353.425   73.500  301.231   93.019  223.491  104.506  597.685  204.078  285.590   86.398  421.260  118.931 -135.6696 147.0003 
1 1 1  -11   22   11 o  200.694   77.467   95.151   85.986   95.151   85.986   0.0000   0.0000  200.694   77.467  ?   ?       ?      ? 
1 1 1  -11   22   12 f  243.995  114.736  199.811  279.788  199.811  279.788   0.0000   0.0000  243.995  114.736  ?   ?       ?      ? 
1 1 1  -11   22   13 o  173.569   87.037 -292.9312  254.599 -292.9312  254.599   0.0000   0.0000  173.569   87.037  ?   ?       ?      ? 
1 1 1  -11   22   14 o  525.590   61.185  657.394  125.494  657.394  125.494   0.0000   0.0000  525.590   61.185  ?   ?       ?      ? 
1 1 1  -11   22   15 o  290.542   68.526  271.424   83.079  251.183   92.773  353.376  186.678  299.935   78.389  281.149  112.421 18.78592 137.0519 
1 1 1  -11   22   16 o  208.805   58.834  114.327   63.526   94.125   72.430  181.676  132.247  189.381   71.587  228.228   93.387 -38.84676 117.6677 
1 1 1  -11   22   17 o  194.383   55.791   99.389   59.825   95.317   67.479  114.350  129.331  189.579   69.589  199.186   87.224 -9.606979 111.5822 
1 1 1  -11   22   18 o  204.098   52.204  125.535   59.621  155.193   67.590   21.539  126.566  239.562   68.722  168.633   78.601 70.92899 104.4077 
1 1 1  -11   22   19 o  205.404   57.348  122.906   62.442  122.062   69.246  126.578  144.446  209.140   71.045  201.669   90.043 7.471359 114.6959 
1 1 1  -11   22   20 o  211.182   53.795  144.286   61.922  165.313   66.674   12.351  167.016  247.604   67.259  174.760   83.976 72.84344 107.5906 
1 1 1  -11   22   21 o  160.938   50.374   50.482   52.905   63.426   55.244 -92.7335  183.760  161.682   62.181  160.194   79.270 1.488205 100.7484 
1 1 1  -11   23    1 o  160.979   51.434 -21.9035   75.098   53.314   91.064 -181.8000  132.772  181.226   76.107  140.731   69.206 40.49524 102.8679 
1 1 1  -11   23    2 o  171.417   52.682   22.251   68.691   70.965   91.232 -41.5115  104.376  190.363   77.691  152.471   71.172 37.89241 105.3630 
1 1 1  -11   23    3 o  275.683   62.309  211.417   85.719  311.724  116.293   92.088  126.841  341.057   87.076  210.308   89.149 130.7497 124.6183 
1 1 1  -11   23    4 o  212.025   57.569   91.942   73.341  181.874  104.737   5.4200  102.732  257.654   87.375  166.396   74.982 91.25784 115.1384 
1 1 1  -11   23    5 o  216.082   65.350   82.531   87.711  192.171  169.363   42.347  102.532  251.816  104.618  180.348   78.341 71.46788 130.6990 
1 1 1  -11   23    6 o  173.215   57.155 -46.9484   74.483  119.777  162.224 -91.4839   83.843  224.590   98.035  121.840   58.786 102.7498 114.3094 
1 1 1  -11   23    7 o  255.904  113.076  226.414  221.917  226.414  221.917   0.0000   0.0000  255.904  113.076  ?   ?       ?      ? 
1 1 1  -11   23    8 o  274.131  121.384  327.407  257.035  327.407  257.035   0.0000   0.0000  274.131  121.384  ?   ?       ?      ? 
1 1 1  -11   23    9 o  207.024   99.182   19.140  229.139   19.140  229.139   0.0000   0.0000  207.024   99.182  ?   ?       ?      ? 
1 1 1  -11   23   10 o  271.479   80.948  283.840  134.047  426.353  274.637  239.271  153.584  281.946  125.127  261.012  102.731 20.93393 161.8965 
1 1 1  -11   23   11 o  203.974   58.029  102.481   78.021  171.650  102.389   6.7053  120.482  239.465   86.035  168.483   77.894 70.98151 116.0584 
1 1 1  -11   23   12 o  147.607   49.560 -49.7878   74.053 -89.0273   94.338   13.209  119.532  127.018   61.544  168.195   77.700 -41.17619 99.12029 
1 1 1  -11   23   13 o  243.766   64.086  206.962   85.934  228.817  100.512  147.588  165.671  273.814   85.088  213.718   95.854 60.09518 128.1717 
1 1 1  -11   23   14 o  148.481   49.144 -12.8305   66.982 -21.3993   81.948   4.4181  116.267  135.472   63.179  161.491   75.293 -26.01950 98.28860 
1 1 1  -11   23   15 o  191.333   48.506   84.259   64.399  178.737   75.859 -159.5330  121.856  253.381   72.839  129.284   64.077 124.0974 97.01247 
1 1 1  -11   23   16 o  174.324   55.142   47.998   65.326   29.104   74.068  114.165  138.605  150.125   65.867  198.522   88.453 -48.39737 110.2830 
1 1 1  -11   23   17 o  155.766   51.963  -5.7228   69.102 -22.9437   78.980   50.495  142.700  131.877   61.675  179.656   83.646 -47.77811 103.9254 
1 1 1  -11   23   18 o  198.865   57.507  123.023   77.650  158.544   87.603  -7.1994  167.733  226.173   79.758  171.557   82.866 54.61607 115.0139 
1 1 1  -11   23   19 o  182.733   58.426   77.100   71.484   72.513   76.431  109.132  201.973  171.173   70.627  194.293   93.092 -23.12044 116.8518 
1 1 1  -11   24    1 o  252.834  104.655  216.292  168.586  216.292  168.586   0.0000   0.0000  252.834  104.655  ?   ?       ?      ? 
1 1 1  -11   24    2 o  172.332   77.589   22.141  109.714   22.141  109.714   0.0000   0.0000  172.332   77.589  ?   ?       ?      ? 
1 1 1  -11   24    3 o  257.857   94.236  205.898  123.549  205.898  123.549   0.0000   0.0000  257.857   94.236  ?   ?       ?      ? 
1 1 1  -11   24    4 o  199.147   82.840   92.798  106.381   92.798  106.381   0.0000   0.0000  199.147   82.840  ?   ?       ?      ? 
1 1 1  -11   24    5 o  197.667   59.978   87.102   83.229   99.829  113.903   72.522  121.912  202.455   85.075  192.880   84.568 9.575455 119.9562 
1 1 1  -11   24    6 o  146.117   51.237 -98.5536   73.080 -32.6130  176.574 -112.1835   80.278  180.621   86.674  111.614   54.667 69.00715 102.4735 
1 1 1  -11   24    7 o  180.456   58.933   32.844   93.058 -104.1494  209.333   66.585  103.888  177.622   87.257  183.289   79.237 -5.667068 117.8656 
1 1 1  -11   24    8 o  170.041   58.710 -50.7508   89.479   96.789  214.265 -81.9161   98.477  208.335   98.702  131.747   63.603 76.58818 117.4195 
1 1 1  -11   24    9 o  139.895   49.354 -120.1175   84.329 -325.6189  219.049 -84.3613   91.371  154.243   77.786  125.547   60.767 28.69624 98.70827 
1 1 1  -11   24   10 o  209.217   67.422  126.500  110.162  161.216  242.705  117.493  123.631  215.718  103.002  202.716   87.027 13.00221 134.8447 
1 1 1  -11   24   11 o  227.417   65.859  180.651   92.770  164.721  125.449  199.875  137.813  221.169   90.779  233.666   95.440 -12.49675 131.7176 
1 1 1  -11   24   12 o  217.708   62.697  152.986   87.690  216.753  121.883   84.559  126.257  247.079   92.984  188.338   84.130 58.74097 125.3950 
1 1 1  -11   24   13 f  204.705   62.826   94.251   93.065  -3.1856  117.417  258.897  152.632  158.752   74.548  250.658  101.149 -91.90631 125.6519 
1 1 1  -11   24   14 o  185.237   59.067   77.547   88.492   79.806  109.762   73.351  149.576  183.153   80.275  187.320   86.669 -4.166687 118.1337 
1 1 1  -11   24   15 o  157.291   52.677  -8.0976   83.843   19.554   99.044 -78.0188  157.495  157.139   71.907  157.443   76.998 -0.3034058 105.3538 
1 1 1  -11   24   16 o  238.602   60.969  218.137   97.310  304.369  111.388 -59.7822  199.970  306.604   88.300  170.601   84.095 136.0025 121.9376 
1 1 1  -11   24   17 o  165.299   55.634   20.150   87.047   35.994   95.397 -58.6555  212.758  159.337   71.987  171.261   84.844 -11.92386 111.2683 
1 1 1  -11   25    1 o  196.494   60.656   79.362   98.966  175.505  124.017 -89.2105  164.215  230.446   91.800  162.543   79.305 67.90282 121.3115 
1 1 1  -11   25    2 f  238.749   68.048  209.298  103.588  242.247  124.035  133.335  188.332  265.929   94.784  211.568   97.664 54.36124 136.0963 
1 1 1  -11   25    3 o  220.955   61.010  121.462   99.543  286.264  126.783 -143.4245  160.734  289.528   96.117  152.383   75.168 137.1447 122.0193 
1 1 1  -11   25    4 o  125.166   43.395 -136.7716   73.516 -50.6980  101.016 -233.6922  107.192  139.864   66.690  110.468   55.542 29.39600 86.79024 
1 1 1  -11   25    5 o  142.404   47.822 -95.9891   76.731   52.912  108.097 -247.2115  108.937  175.056   78.047  109.753   55.287 65.30312 95.64470 
1 1 1  -11   25    6 o  135.883   46.529 -98.7597   73.387   3.7576  114.119 -171.0499   95.830  160.659   74.801  111.107   55.359 49.55155 93.05824 
1 1 1  -11   25    7 o  222.222   66.605  175.562  100.100  177.152  144.564  174.099  138.740  222.296   94.733  222.149   93.650 0.1473694 133.2095 
1 1 1  -11   25    8 o  148.882   53.302 -186.3636   83.643  107.483  192.042 -255.1563   92.920  200.831   94.629   96.933   49.091 103.8982 106.6045 
1 1 1  -11   25    9 o  185.698   63.016   19.688  103.392  209.060  227.520 -29.5949  116.068  219.878  103.418  151.518   72.033 68.36066 126.0320 
1 1 1  -11   25   10 o  192.673   66.159  -8.9770  104.457  378.038  255.616 -86.5611  114.449  247.547  114.100  137.799   67.002 109.7487 132.3182 
1 1 1  -11   25   11 o  171.209   78.862   36.986  121.836   0.0000   0.0000   36.986  121.836  ?   ?   171.209   78.862      ?      ? 
1 1 1  -11   25   12 o  145.238   49.952 -69.2331   86.707 -182.6729  168.491 -28.3699  101.125  146.917   73.233  143.559   67.954 3.357697 99.90398 
1 1 1  -11   25   13 f  151.990   51.636 -45.9437   88.451   14.156  131.625 -95.4304  119.439  166.398   78.385  137.581   67.236 28.81683 103.2710 
1 1 1  -11   25   14 o  170.279   56.643   30.778   95.103   39.852  119.225   14.902  157.694  168.562   77.775  171.997   82.369 -3.434799 113.2850 
1 1 1  -11   25   15 o  148.576   51.143 -63.2729   95.494   6.5593  107.634 -321.5152  206.983  153.601   71.887  143.551   72.763 10.05035 102.2850 
1 1 1  -11   26    1 o  129.326   45.256 -91.2197   65.793 -87.7675   73.925 -104.3722  144.294  109.545   53.395  149.108   73.086 -39.56295 90.51285 
1 1 1  -11   26    2 o  250.754   63.766  236.249  105.159  352.411  126.601 -22.2492  188.858  325.028   94.291  176.480   85.871 148.5477 127.5323 
1 1 1  -11   26    3 o  311.154   79.479  477.365  139.650  540.052  174.347  365.156  233.260  370.391  111.491  251.918  113.303 118.4729 158.9589 
1 1 1  -11   26    4 o  184.075   56.635  -2.4823   98.163  212.782  125.531 -341.3019  157.489  242.085   93.557  126.065   63.853 116.0197 113.2701 
1 1 1  -11   26    5 o  183.064   57.564   12.592   93.837  202.762  133.354 -173.9296  132.068  233.725   94.465  132.403   65.808 101.3214 115.1272 
1 1 1  -11   26    6 o  136.510   47.993 -138.7533   85.659 -84.0916  155.604 -162.5206  102.605  156.458   76.520  116.562   57.946 39.89588 95.98506 
1 1 1  -11   26    7 o  168.245   56.194   2.9745  100.216 -172.2931  195.087   65.805  116.805  157.545   78.574  178.944   80.356 -21.39928 112.3873 
1 1 1  -11   26    8 o  168.749   77.604   35.340  117.333   0.0000   0.0000   35.340  117.333  ?   ?   168.749   77.604      ?      ? 
1 1 1  -11   26    9 o  166.158   56.645  -8.1740  101.593 -119.1802  224.218   20.503  113.963  169.684   84.565  162.632   75.389 7.052307 113.2907 
1 1 1  -11   26   10 o  176.532   60.393   10.144  111.974  104.424  215.871 -24.5606  130.971  196.390   94.647  156.674   75.040 39.71678 120.7852 
1 1 1  -11   26   11 o  150.073   53.101 -165.8747  111.773   7.9559  191.382 -255.8613  137.698  176.926   86.166  123.220   62.082 53.70647 106.2013 
1 1 1  -11   26   12 o  192.197   63.662  110.066  118.673   74.040  158.349  156.227  179.243  182.514   85.976  201.880   93.911 -19.36617 127.3230 
1 1 1  -11   27    1 o  185.956   62.183   56.116  120.528  136.078  170.829 -23.1446  170.079  202.443   93.298  169.469   82.234 32.97324 124.3666 
1 1 1  -11   27    2 o  184.351   61.891   45.890  121.819  135.667  172.919 -42.5689  171.644  202.152   93.410  166.550   81.220 35.60202 123.7824 
1 1 1  -11   27    3 o  160.679   53.071  -5.4604   88.774   75.520  108.743 -167.2643  153.712  179.292   79.193  142.066   70.674 37.22649 106.1427 
1 1 1  -11   27    4 o  184.485   61.061   64.293  110.954   2.0514  156.804  126.707  157.021  169.997   81.602  198.973   90.855 -28.97606 122.1214 
1 1 1  -11   27    5 o  151.000   52.087 -96.0766   97.357   44.903  147.724 -204.3314  129.448  176.619   83.151  125.381   62.755 51.23819 104.1745 
1 1 1  -11   27    6 o  171.710   57.375 -32.4019   96.973  194.100  160.206 -163.3786  121.826  216.768   95.915  126.653   62.992 90.11543 114.7503 
1 1 1  -11   27    7 o  143.193   49.099 -60.7129   84.916 -90.7327  133.650 -40.3903  109.965  143.526   70.348  142.859   68.512 0.6667175 98.19747 
1 1 1  -11   27    8 o  258.689   77.397  367.237  135.133  294.338  183.174  454.289  200.167  237.269  103.855  280.108  114.785 -42.83850 154.7948 
1 1 1  -10    0    1 o  421.978   17.349  352.289   40.089  352.289   40.089  352.289   40.089  421.978   24.535  421.978   24.535 0.000000 0.000000 
1 1 1  -10    0    2 o  770.237   21.750  1170.38   92.121  1170.38   92.121  1170.38   92.121  770.237   30.759  770.237   30.759 -0.000000 0.000000 
1 1 1  -10    0    3 o  220.794   16.783   98.735   19.853   98.735   19.853   98.735   19.853  220.794   23.735  220.794   23.735 -0.000000 0.000000 
1 1 1  -10    0    4 o  1101.04   39.115  2437.59  236.311  2437.59  236.311  2437.59  236.311  1101.04   55.317  1101.04   55.317 -0.000000 0.000000 
1 1 1  -10    0    5 o  137.654   20.010   41.517   13.429   41.517   13.429   41.517   13.429  137.654   28.298  137.654   28.298 -0.000000 0.000000 
1 1 1  -10    0    6 o  748.594   21.510  1107.62   88.532  1107.62   88.532  1107.62   88.532  748.594   30.420  748.594   30.420 -0.000000 0.000000 
1 1 1  -10    0    7 o  399.865   17.315  317.155   37.883  317.155   37.883  317.155   37.883  399.865   24.488  399.865   24.488 0.000000 0.000000 
1 1 1  -10    0    8 o  301.555   16.789  181.597   27.542  181.597   27.542  181.597   27.542  301.555   23.743  301.555   23.743 0.000000 0.000000 
1 1 1  -10    0    9 o  791.463   22.148  1238.19   96.398  1238.19   96.398  1238.19   96.398  791.463   31.322  791.463   31.322 0.000000 0.000000 
1 1 1  -10    0   10 o  569.753   19.084  641.154   59.701  641.154   59.701  641.154   59.701  569.753   26.989  569.753   26.989 0.000000 0.000000 
1 1 1  -10    0   11 o  580.133   27.560  672.168   87.325  672.168   87.325  672.168   87.325  580.133   38.976  580.133   38.976 0.000000 0.000000 
1 1 1  -10    0   12 o  883.724   33.769  1558.21  163.595  1558.21  163.595  1558.21  163.595  883.724   47.756  883.724   47.756 0.000000 0.000000 
1 1 1  -10    0   13 o  467.690   18.028  432.134   46.217  432.134   46.217  432.134   46.217  467.690   25.496  467.690   25.496 0.000000 0.000000 
1 1 1  -10    0   14 o  933.697   24.376  1718.59  125.217  1718.59  125.217  1718.59  125.217  933.697   34.472  933.697   34.472 0.000000 0.000000 
1 1 1  -10    0   15 o  830.168   22.819  1357.83  104.187  1357.83  104.187  1357.83  104.187  830.168   32.271  830.168   32.271 -0.000000 0.000000 
1 1 1  -10    0   16 o  1565.85   51.473  4940.50  442.624  4940.50  442.624  4940.50  442.624  1565.85   72.794  1565.85   72.794 0.000000 0.000000 
1 1 1  -10    0   17 o  541.669   19.133  578.898   56.869  578.898   56.869  578.898   56.869  541.669   27.058  541.669   27.058 0.000000 0.000000 
1 1 1  -10    0   18 o  1479.34   34.195  4338.08  278.496  4338.08  278.496  4338.08  278.496  1479.34   48.358  1479.34   48.358 0.000000 0.000000 
1 1 1  -10    0   19 o  598.687   19.898  707.171   65.411  707.171   65.411  707.171   65.411  598.687   28.139  598.687   28.139 -0.000000 0.000000 
1 1 1  -10    0   20 f  423.552   18.513  355.479   42.894  355.479   42.894  355.479   42.894  423.552   26.181  423.552   26.181 0.000000 0.000000 
1 1 1  -10    0   21 o  159.804   27.807   58.383   21.234   58.383   21.234   58.383   21.234  159.804   39.325  159.804   39.325 -0.000000 0.000000 
1 1 1  -10    0   22 o  370.485   18.997  273.333   38.373  273.333   38.373  273.333   38.373  370.485   26.866  370.485   26.866 0.000000 0.000000 
1 1 1  -10    0   23 o  925.705   35.744  1720.30  181.366  1720.30  181.366  1720.30  181.366  925.705   50.550  925.705   50.550 -0.000000 0.000000 
1 1 1  -10    0   24 o  619.332   20.609  759.372   70.087  759.372   70.087  759.372   70.087  619.332   29.146  619.332   29.146 0.000000 0.000000 
1 1 1  -10    0   25 o  356.805   19.403  254.899   37.688  254.899   37.688  254.899   37.688  356.805   27.440  356.805   27.440 -0.000000 0.000000 
1 1 1  -10    0   26 o  408.928   19.528  334.174   43.609  334.174   43.609  334.174   43.609  408.928   27.617  408.928   27.617 -0.000000 0.000000 
1 1 1  -10    0   27 o   41.001   19.417  -4.3518   12.228  -4.3518   12.228  -4.3518   12.228   41.001   27.459   41.001   27.459 -0.000000 0.000000 
1 1 1  -10    0   28 o   53.524   23.873   2.8281   14.967   2.8281   14.967   2.8281   14.967   53.524   33.761   53.524   33.761 0.000000 0.000000 
1 1 1  -10    0   29 o  253.943   21.832  133.597   29.391  133.597   29.391  133.597   29.391  253.943   30.875  253.943   30.875 -0.000000 0.000000 
1 1 1  -10    0   30 o  662.104   21.508  878.545   78.215  878.545   78.215  878.545   78.215  662.104   30.417  662.104   30.417 0.000000 0.000000 
1 1 1  -10    0   31 o  147.490   32.431   54.920   23.130   54.920   23.130   54.920   23.130  147.490   45.864  147.490   45.864 -0.000000 0.000000 
1 1 1  -10    0   32 f  297.151   21.361  182.258   34.201  182.258   34.201  182.258   34.201  297.151   30.209  297.151   30.209 -0.000000 0.000000 
1 1 1  -10    0   33 o  292.700   22.329  178.304   35.006  178.304   35.006  178.304   35.006  292.700   31.577  292.700   31.577 0.000000 0.000000 
1 1 1  -10    0   34 o  274.984   52.036  196.859   68.239  196.859   68.239  196.859   68.239  274.984   73.590  274.984   73.590 -0.000000 0.000000 
1 1 1  -10    0   35 o  418.531   21.365  358.609   48.757  358.609   48.757  358.609   48.757  418.531   30.214  418.531   30.214 -0.000000 0.000000 
1 1 1  -10    1    1 o  463.280   17.613  422.199   31.842  420.862   44.943  423.548   45.121  462.545   24.898  464.016   24.918 -1.471069 35.22548 
1 1 1  -10    1    2 f  374.754   16.760  276.109   24.509  281.009   34.814  271.295   34.509  378.062   23.597  371.445   23.807 6.616913 33.52013 
1 1 1  -10    1    3 f  358.541   16.652  252.838   23.299  254.129   33.000  251.555   32.900  359.457   23.525  357.626   23.574 1.830414 33.30454 
1 1 1  -10    1    4 o  456.625   24.899  408.370   44.013  485.024   66.841  349.692   58.481  494.018   34.671  419.233   35.746 74.78522 49.79828 
1 1 1  -10    1    5 o  137.185   17.543   37.998   9.0988   45.629   12.956   30.571   12.781  152.325   21.796  122.046   27.495 30.27917 35.08633 
1 1 1  -10    1    6 o  368.229   16.814  267.205   24.162  268.506   34.191  265.907   34.148  369.131   23.736  367.327   23.822 1.804474 33.62862 
1 1 1  -10    1    7 o  507.049   18.206  507.724   36.024  505.473   50.795  510.002   51.097  505.923   25.728  508.175   25.766 -2.252289 36.41203 
1 1 1  -10    1    8 o  370.664   16.862  270.769   24.386  263.771   34.184  278.020   34.797  365.773   23.949  375.556   23.743 -9.783081 33.72351 
1 1 1  -10    1    9 o  419.129   17.289  346.233   28.278  349.762   40.090  342.737   39.891  421.266   24.387  416.992   24.514 4.273773 34.57825 
1 1 1  -10    1   10 o  500.877   18.132  494.380   35.441  496.523   50.184  492.248   50.059  501.965   25.619  499.790   25.666 2.174469 36.26418 
1 1 1  -10    1   11 o  487.859   25.634  471.364   48.737  444.272   66.997  501.815   71.030  472.999   36.296  502.720   36.206 -29.72122 51.26718 
1 1 1  -10    1   12 o  906.875   34.233  1650.41  121.135  1634.23  169.712  1667.22  172.956  902.461   48.189  911.289   48.635 -8.828003 68.46586 
1 1 1  -10    1   13 o  394.847   17.179  306.108   26.464  297.146   37.061  315.432   37.802  388.939   24.418  400.755   24.171 -11.81592 34.35823 
1 1 1  -10    1   14 o  1224.69   29.481  2979.95  140.896  2988.63  199.917  2971.39  198.605  1226.42   41.771  1222.96   41.615 3.459351 58.96285 
1 1 1  -10    1   15 o  851.934   23.035  1430.90   76.568  1452.89  109.534  1409.88  107.074  858.300   32.702  845.567   32.449 12.73242 46.06950 
1 1 1  -10    1   16 o  625.172   27.959  769.965   68.000  836.641  101.069  714.821   91.914  649.675   39.865  600.669   39.212 49.00562 55.91743 
1 1 1  -10    1   17 o  517.609   18.629  526.414   37.625  534.277   53.615  518.783   52.814  521.417   26.349  513.802   26.341 7.614990 37.25732 
1 1 1  -10    1   18 o  760.833   21.804  1140.98   64.730  1160.22   92.416  1122.46   90.693  767.117   30.871  754.549   30.800 12.56854 43.60825 
1 1 1  -10    1   19 o  311.939   18.004  191.463   21.873  206.189   31.050  176.957   30.818  323.937   24.562  299.941   26.329 23.99628 36.00762 
1 1 1  -10    1   20 o  903.232   24.080  1614.32   84.870  1630.22  120.919  1598.89  119.149  907.582   34.141  898.883   33.967 8.698975 48.15985 
1 1 1  -10    1   21 o  763.633   22.040  1151.96   65.676  1163.07   93.286  1141.05   92.479  767.287   31.155  759.979   31.182 7.307983 44.07914 
1 1 1  -10    1   22 o  644.981   20.493  821.032   51.574  810.480   72.235  832.005   73.658  640.778   28.887  649.183   29.075 -8.404541 40.98582 
1 1 1  -10    1   23 o  594.769   41.355  709.014   95.986  709.014   95.986   0.0000   0.0000  594.769   41.355  ?   ?       ?      ? 
1 1 1  -10    1   24 o  281.402   19.772  156.879   21.677  168.401   30.852  145.646   30.463  291.736   27.100  271.069   28.798 20.66711 39.54390 
1 1 1  -10    1   25 o  784.921   32.229  1231.31   98.720   0.0000   0.0000  1231.31   98.720  ?   ?   784.921   32.229      ?      ? 
1 1 1  -10    1   26 o  800.633   23.118  1287.68   72.187  1257.43  100.000  1320.60  104.313  791.038   32.395  810.227   32.991 -19.18970 46.23665 
1 1 1  -10    1   27 o  548.128   20.231  602.293   43.261  590.553   60.279  614.762   62.123  542.700   28.463  553.556   28.758 -10.85657 40.46149 
1 1 1  -10    1   28 o  316.115   24.972  204.385   30.793  204.772   44.213  204.021   42.911  316.191   35.832  316.039   34.793 0.1529846 49.94499 
1 1 1  -10    1   29 o  152.747   25.223   49.723   14.767   47.447   21.073   51.919   20.701  149.059   36.515  156.435   34.807 -7.375931 50.44691 
1 1 1  -10    1   30 o  203.653   23.169   84.913   18.404   86.559   25.803   83.209   26.258  205.848   32.121  201.458   33.399 4.389633 46.33871 
1 1 1  -10    1   31 o  361.155   20.166  264.312   28.269  228.917   38.747  304.592   41.334  334.807   29.656  387.503   27.334 -52.69592 40.33112 
1 1 1  -10    1   32 o  270.215   21.753  150.929   22.802  130.943   31.763  172.180   32.753  250.905   32.440  289.524   28.989 -38.61916 43.50500 
1 1 1  -10    1   33 o  239.006   25.304  123.793   22.127  164.036   31.834   86.177   30.778  281.968   28.931  196.043   41.522 85.92520 50.60748 
1 1 1  -10    1   34 o  166.309   42.169   61.978   40.157  107.582   52.833  -0.4102   61.795  204.541   61.330  128.076   57.893 76.46532 84.33873 
1 1 1  -10    1   35 o  533.416   22.012  594.922   45.773  633.315   66.118  559.586   63.430  550.315   30.787  516.518   31.469 33.79755 44.02447 
1 1 1  -10    2    1 o  337.450   20.294  223.322   25.145  228.928   43.941  220.593   30.662  339.944   33.123  334.956   23.457 4.987396 40.58807 
1 1 1  -10    2    2 o  337.692   16.508  224.253   21.754  227.238   30.835  221.296   30.695  339.940   23.244  335.444   23.449 4.496704 33.01670 
1 1 1  -10    2    3 o  795.446   27.380  1248.89   79.183  1300.51  141.368  1225.30   95.584  804.180   45.047  786.711   31.134 17.46936 54.75913 
1 1 1  -10    2    4 o  705.674   29.693  995.658   81.617  941.136  111.348  1058.96  119.982  685.027   41.653  726.322   42.331 -41.29492 59.38698 
1 1 1  -10    2    5 o  670.633   20.301  889.865   53.127  896.239   75.441  883.596   74.829  673.010   28.725  668.256   28.694 4.753967 40.60126 
1 1 1  -10    2    6 o  394.432   17.068  306.690   26.267  314.913   37.393  298.681   36.905  399.678   23.975  389.186   24.300 10.49133 34.13571 
1 1 1  -10    2    7 o  438.370   17.489  379.120   29.917  373.625   42.049  384.752   42.573  435.148   24.762  441.592   24.705 -6.443756 34.97845 
1 1 1  -10    2    8 o  274.143   16.187  148.017   17.317  147.832   24.437  148.203   24.543  273.975   22.856  274.311   22.927 -0.3355713 32.37365 
1 1 1  -10    2    9 o  378.086   16.929  281.415   24.970  271.840   34.904  291.452   35.736  371.481   24.077  384.690   23.805 -13.20828 33.85834 
1 1 1  -10    2   10 o  799.584   22.251  1265.41   69.423  1279.88   98.915  1251.37   97.460  804.067   31.524  795.102   31.410 8.964783 44.50112 
1 1 1  -10    2   11 o  690.960   29.404  952.803   79.281  964.103  112.628  941.705  111.619  695.042   41.524  686.878   41.642 8.164246 58.80728 
1 1 1  -10    2   12 o  254.848   16.493  127.580   16.398  130.570   23.155  124.571   23.227  257.867   23.010  251.829   23.635 6.037415 32.98547 
1 1 1  -10    2   13 o  380.907   17.078  284.938   25.383  290.249   35.964  279.665   35.830  384.462   23.971  377.351   24.332 7.110931 34.15593 
1 1 1  -10    2   14 o  1201.41   29.056  2865.15  136.202  2834.76  190.439  2896.96  194.874  1195.02   40.837  1207.80   41.345 -12.78125 58.11267 
1 1 1  -10    2   15 o  570.286   19.087  639.116   42.473  651.478   60.456  627.069   59.683  575.743   26.908  564.828   27.077 10.91449 38.17334 
1 1 1  -10    2   16 o  702.379   29.504  979.102   80.859  960.588  113.217  998.378  115.521  695.609   41.707  709.149   41.744 -13.54034 59.00880 
1 1 1  -10    2   17 o  421.538   17.823  349.005   29.306  362.928   41.645  335.346   41.248  429.908   24.823  413.168   25.582 16.74030 35.64595 
1 1 1  -10    2   18 o  845.207   23.113  1410.37   76.234  1416.01  107.757  1404.72  107.866  846.923   32.604  843.490   32.770 3.433228 46.22631 
1 1 1  -10    2   19 o  599.280   19.756  706.708   46.186  690.542   64.251  723.992   66.436  592.220   27.801  606.340   28.077 -14.12000 39.51264 
1 1 1  -10    2   20 o  697.021   21.189  955.340   57.541  1023.26   84.196  895.819   78.820  720.191   29.958  673.851   29.974 46.34070 42.37812 
1 1 1  -10    2   21 o  1225.01   29.853  2995.67  142.714  2994.85  201.822  2996.48  201.835  1224.84   42.224  1225.18   42.215 -0.3403320 59.70697 
1 1 1  -10    2   22 o  398.219   18.653  312.522   28.971  325.503   41.076  299.673   40.866  406.520   25.893  389.918   26.857 16.60147 37.30585 
1 1 1  -10    2   23 o  713.579   31.482  1021.64   87.408  978.605  118.289  1073.39  129.728  697.617   43.451  729.541   45.567 -31.92480 62.96304 
1 1 1  -10    2   24 o  107.254   28.918   17.206   17.107   28.603   18.680 -42.0537   42.596  119.307   36.617   95.201   44.768 24.10573 57.83519 
1 1 1  -10    2   25 o  196.465   29.451   77.971   20.448   84.644   38.245   75.300   24.197  198.824   49.487  194.105   31.945 4.718933 58.90169 
1 1 1  -10    2   26 o  332.902   19.323  221.044   25.086  228.384   35.318  213.570   35.640  338.636   26.726  327.167   27.915 11.46854 38.64570 
1 1 1  -10    2   27 o  308.059   20.065  190.352   24.107  182.328   33.977  198.485   34.209  301.368   28.891  314.750   27.851 -13.38187 40.12950 
1 1 1  -10    2   28 o  179.993   26.241   71.660   19.833   16.719   28.299  124.693   27.803  111.139   43.985  248.847   28.631 -137.7076 52.48195 
1 1 1  -10    2   29 o  196.531   23.167   79.894   17.268   69.596   24.177   90.618   24.671  181.455   35.415  211.606   29.877 -30.15089 46.33385 
1 1 1  -10    2   30 o  203.782   24.295   87.041   18.643   71.032   26.177  103.518   26.557  181.898   38.098  225.667   30.157 -43.76913 48.58921 
1 1 1  -10    2   31 o  175.656   25.513   66.402   17.174   51.440   24.553   80.733   24.029  152.976   40.495  198.336   31.046 -45.35948 51.02657 
1 1 1  -10    2   32 o  335.917   21.227  232.098   27.786  217.399   38.211  248.594   40.479  324.572   30.168  347.263   29.870 -22.69138 42.45383 
1 1 1  -10    2   33 o  400.793   21.094  331.317   32.927  310.308   44.928  355.693   48.395  387.195   29.734  414.390   29.927 -27.19513 42.18702 
1 1 1  -10    2   34 o  116.315   37.894 -11.6291   35.152 -15.2316   41.027  -1.6817   68.174  100.394   46.065  132.237   60.182 -31.84260 75.78818 
1 1 1  -10    2   35 o  182.525   28.544   74.608   19.777   85.841   29.315   65.226   26.793  195.695   39.743  169.356   40.983 26.33890 57.08860 
1 1 1  -10    3    1 f  357.456   16.708  251.153   23.279  268.583   33.468  234.816   32.401  369.510   23.210  345.401   24.039 24.10919 33.41501 
1 1 1  -10    3    2 o  575.161   18.979  651.224   42.549  688.245   61.931  618.127   58.558  590.601   26.871  559.722   26.809 30.87885 37.95757 
1 1 1  -10    3    3 o  257.728   31.693  131.713   31.876   0.0000   0.0000  131.713   31.876  ?   ?   257.728   31.693      ?      ? 
1 1 1  -10    3    4 o  290.719   20.395  179.520   21.392  214.974   27.504  125.234   34.034  330.654   21.315  250.783   34.777 79.87083 40.78918 
1 1 1  -10    3    5 o  626.539   19.711  776.460   48.191  783.731   68.489  769.330   67.822  629.441   27.882  623.636   27.868 5.805298 39.42169 
1 1 1  -10    3    6 o  291.567   16.420  167.515   18.674  174.246   26.530  160.904   26.291  297.417   22.858  285.716   23.579 11.70026 32.84025 
1 1 1  -10    3    7 o  495.543   18.105  484.843   35.010  491.329   49.701  478.456   49.324  498.849   25.531  492.237   25.678 6.612061 36.20981 
1 1 1  -10    3    8 o  487.393   18.052  468.754   34.333  474.096   48.673  463.464   48.437  490.175   25.445  484.612   25.612 5.563171 36.10343 
1 1 1  -10    3    9 o  277.144   16.375  151.157   17.697  158.730   25.151  143.730   24.906  284.067   22.688  270.221   23.619 13.84610 32.75049 
1 1 1  -10    3   10 o  470.242   17.861  435.329   32.776  439.421   46.388  431.250   46.315  472.465   25.160  468.019   25.359 4.446106 35.72226 
1 1 1  -10    3   11 o  445.353   25.083  390.874   43.464  359.869   58.881  427.998   64.429  426.074   35.412  464.633   35.534 -38.55939 50.16649 
1 1 1  -10    3   12 o  336.761   16.920  222.788   22.231  228.017   31.446  217.562   31.434  340.738   23.649  332.784   24.205 7.954712 33.83993 
1 1 1  -10    3   13 o  461.329   17.887  418.034   32.196  410.999   45.059  425.372   46.021  457.372   25.245  465.287   25.345 -7.915527 35.77309 
1 1 1  -10    3   14 o  598.019   19.420  701.526   45.267  743.089   65.895  664.386   62.290  614.752   27.468  581.287   27.460 33.46478 38.83963 
1 1 1  -10    3   15 o  469.636   18.058  432.950   33.082  451.070   47.303  415.602   46.284  479.279   25.291  459.993   25.784 19.28635 36.11686 
1 1 1  -10    3   16 o  175.305   23.871   59.061   15.794   87.259   24.961   40.231   20.397  210.496   30.387  140.114   36.822 70.38220 47.74138 
1 1 1  -10    3   17 o  743.946   21.526  1090.38   62.488  1086.10   87.804  1094.76   88.951  742.502   30.303  745.391   30.580 -2.888306 43.05109 
1 1 1  -10    3   18 o  404.030   18.073  320.992   28.483  328.194   39.995  313.581   40.573  408.685   25.078  399.374   26.033 9.310669 36.14698 
1 1 1  -10    3   19 o  257.317   18.180  130.185   18.251  129.287   25.482  131.130   26.153  256.426   25.465  258.209   25.955 -1.783356 36.36051 
1 1 1  -10    3   20 o  677.035   20.883  904.007   55.166  898.464   77.281  909.766   78.773  674.967   29.340  679.104   29.724 -4.137024 41.76550 
1 1 1  -10    3   21 o  789.780   22.502  1233.23   69.349  1233.86   97.596  1232.59   98.559  790.037   31.656  789.523   31.989 0.5136108 45.00422 
1 1 1  -10    3   22 o  547.917   19.662  591.898   42.011  582.313   58.138  602.371   60.776  543.362   27.418  552.472   28.189 -9.110107 39.32427 
1 1 1  -10    3   23 o  275.631   35.493  160.794   35.302  169.912   44.054  144.432   59.013  291.471   38.731  259.791   59.490 31.68030 70.98699 
1 1 1  -10    3   24 o  463.452   26.217  421.634   41.506  412.059   48.008  449.979   82.598  456.204   26.966  470.700   44.967 -14.49579 52.43316 
1 1 1  -10    3   25 o  254.276   25.421  125.952   23.989  143.859   41.921  117.233   29.252  266.264   40.345  242.288   30.938 23.97598 50.84149 
1 1 1  -10    3   26 o  319.474   19.648  204.038   24.453  215.342   34.361  192.438   34.808  328.708   26.787  310.241   28.751 18.46680 39.29564 
1 1 1  -10    3   27 o  327.826   34.168  218.343   43.711   0.0000   0.0000  218.343   43.711  ?   ?   327.826   34.168      ?      ? 
1 1 1  -10    3   28 o  441.531   26.350  401.707   45.338  382.079   64.541  420.827   63.702  430.129   38.451  452.934   36.040 -22.80487 52.70058 
1 1 1  -10    3   29 o  198.186   22.950   81.052   17.292   90.334   24.784   72.247   24.139  211.185   30.073  185.188   34.677 25.99765 45.90071 
1 1 1  -10    3   30 o  321.688   20.620  210.563   25.799  222.448   35.817  197.747   37.193  331.766   27.664  311.609   30.586 20.15625 41.24088 
1 1 1  -10    3   31 o  161.811   26.879   57.526   16.764   48.587   24.213   65.755   23.233  148.587   40.602  175.035   35.232 -26.44774 53.75737 
1 1 1  -10    3   32 o  339.970   21.151  238.247   28.042  232.046   38.808  245.023   40.566  335.513   29.640  344.428   30.181 -8.915314 42.30145 
1 1 1  -10    3   33 o  148.041   28.105   46.777   16.861   67.553   26.160   32.013   22.053  174.081   39.424  122.002   40.067 52.07934 56.21075 
1 1 1  -10    3   34 o  240.700   47.726  161.333   46.958  174.466   57.969  136.267   80.086  266.309   57.466  215.091   76.216 51.21719 95.45233 
1 1 1  -10    3   35 o  130.500   26.133   36.165   17.455  -4.6136   26.668   66.727   23.087   86.637   38.686  174.363   35.144 -87.72536 52.26540 
1 1 1  -10    4    1 o  348.883   19.205  247.517   25.007  269.566   31.974  212.787   40.129  370.193   22.133  327.573   31.392 42.61960 38.40971 
1 1 1  -10    4    2 o  212.982   21.473   89.255   17.766  102.058   26.282   78.482   24.109  227.022   29.666  198.942   31.054 28.08031 42.94699 
1 1 1  -10    4    3 o  466.996   21.867  443.139   37.892  470.996   47.723  395.618   62.331  488.659   25.026  445.333   35.866 43.32635 43.73440 
1 1 1  -10    4    4 o  377.750   16.932  280.624   24.906  307.827   36.110  255.943   34.396  395.254   23.411  360.247   24.467 35.00757 33.86308 
1 1 1  -10    4    5 o  406.485   17.078  325.770   27.087  319.423   38.013  332.316   38.608  402.455   24.204  410.515   24.100 -8.060699 34.15601 
1 1 1  -10    4    6 o  424.668   17.389  355.841   28.807  367.184   40.780  344.543   40.700  431.495   24.218  417.842   24.960 13.65283 34.77822 
1 1 1  -10    4    7 o  408.491   17.297  329.029   27.574  329.898   38.953  328.156   39.037  409.042   24.403  407.940   24.522 1.102081 34.59488 
1 1 1  -10    4    8 o  636.090   19.892  799.373   49.367  817.731   70.648  781.855   69.013  643.220   28.145  628.960   28.117 14.26025 39.78382 
1 1 1  -10    4    9 o  470.899   17.880  436.714   32.856  435.379   46.329  438.066   46.603  470.181   25.250  471.617   25.321 -1.436279 35.75916 
1 1 1  -10    4   10 o  644.439   28.524  824.264   71.576  892.240  105.350  765.986   97.546  669.003   40.353  619.875   40.325 49.12842 57.04799 
1 1 1  -10    4   11 o  832.825   28.054  1366.90   85.236  1414.46  151.031  1344.67  103.251  840.648   46.038  825.002   32.071 15.64648 56.10748 
1 1 1  -10    4   12 f  459.940   17.826  415.734   31.995  418.121   45.206  413.340   45.288  461.275   25.113  458.605   25.306 2.669495 35.65183 
1 1 1  -10    4   13 o  399.340   17.184  312.905   26.756  331.498   38.333  295.242   37.362  410.941   23.904  387.740   24.692 23.20108 34.36717 
1 1 1  -10    4   14 o  549.784   18.906  593.807   40.552  612.318   57.939  576.032   56.775  558.200   26.598  541.368   26.874 16.83234 37.81119 
1 1 1  -10    4   15 o  881.826   29.039  1515.25   92.534  1471.26  110.833  1616.48  168.123  863.697   32.883  899.955   47.871 -36.25806 58.07714 
1 1 1  -10    4   16 o  596.769   38.577  705.423   89.840   0.0000   0.0000  705.423   89.840  ?   ?   596.769   38.577      ?      ? 
1 1 1  -10    4   17 o  718.489   21.201  1017.00   59.443  1024.03   84.058  1009.96   84.073  720.998   29.875  715.979   30.090 5.018616 42.40242 
1 1 1  -10    4   18 o  813.743   22.692  1307.26   72.058  1312.40  101.708  1302.08  102.103  815.386   31.964  812.099   32.218 3.287964 45.38389 
1 1 1  -10    4   19 o  284.206   18.431  159.070   20.418  164.303   28.528  153.574   29.235  289.071   25.289  279.340   26.819 9.731079 36.86195 
1 1 1  -10    4   20 o  509.455   19.118  511.124   37.998  512.572   53.172  509.612   54.322  510.250   26.703  508.661   27.366 1.589355 38.23606 
1 1 1  -10    4   21 o  456.754   18.989  411.117   33.828  415.018   47.185  406.991   48.524  459.067   26.339  454.440   27.362 4.626984 37.97899 
1 1 1  -10    4   22 o  401.164   27.225  317.469   42.621   0.0000   0.0000  317.469   42.621  ?   ?   401.164   27.225      ?      ? 
1 1 1  -10    4   23 o  473.107   26.318  431.558   42.404  415.757   48.802  480.247   85.665  458.641   27.266  487.573   45.023 -28.93268 52.63578 
1 1 1  -10    4   24 o  473.507   26.510  445.881   42.937  440.951   49.843  460.068   84.547  471.747   27.074  475.266   45.586 -3.518707 53.01983 
1 1 1  -10    4   25 o  462.593   19.390  425.688   34.986  428.823   48.834  422.382   50.149  464.495   26.940  460.690   27.895 3.804962 38.78011 
1 1 1  -10    4   26 o  560.204   20.374  627.830   44.494  621.800   61.415  634.491   64.549  557.661   28.221  562.748   29.393 -5.086670 40.74768 
1 1 1  -10    4   27 o  241.800   28.791  125.399   25.589  109.115   40.057  136.625   33.260  224.018   47.305  259.582   32.833 -35.56490 57.58271 
1 1 1  -10    4   28 o   68.086   21.017   0.3532   9.4587 -35.8008   25.364   6.1931   10.194   67.564   32.531   68.607   26.620 -1.043335 42.03466 
1 1 1  -10    4   29 o  373.161   20.009  279.530   29.015  265.816   38.942  296.643   43.502  363.283   27.469  383.038   29.103 -19.75504 40.01873 
1 1 1  -10    4   30 o  480.432   20.635  470.116   38.562  495.808   53.532  442.404   55.597  495.044   27.710  465.820   30.585 29.22464 41.27054 
1 1 1  -10    4   31 o  239.619   22.786  118.260   21.029   94.893   28.823  144.856   30.750  213.352   34.619  265.885   29.636 -52.53337 45.57129 
1 1 1  -10    4   32 o  173.808   27.108   67.782   18.235   51.193   27.448   80.890   24.398  150.392   43.984  197.224   31.700 -46.83217 54.21680 
1 1 1  -10    4   33 o  365.889   28.375  303.278   37.525  242.687   61.531  339.159   47.350  327.299   48.174  404.479   29.998 -77.17996 56.75094 
1 1 1  -10    4   34 o  232.499   41.981  127.809   31.032  124.229   33.735  147.502   79.124  241.426   35.807  223.571   75.943 17.85500 83.96143 
1 1 1  -10    4   35 o  295.773   24.184  186.408   27.687  158.799   38.601  215.661   39.733  271.526   36.430  320.019   31.816 -48.49332 48.36734 
1 1 1  -10    5    1 o  462.040   24.238  417.058   43.235  485.134   67.408  369.479   56.353  493.241   35.020  430.839   33.518 62.40134 48.47530 
1 1 1  -10    5    2 o  343.626   43.728  328.500   33.607  350.944   35.729  156.210   98.991  422.309   21.680  264.944   84.725 157.3655 87.45515 
1 1 1  -10    5    3 o  317.657   20.007  198.723   23.730  196.203   29.468  203.371   40.022  315.458   23.937  319.856   32.064 -4.397797 40.01350 
1 1 1  -10    5    4 o  174.706   20.755   60.967   12.936   59.977   15.743   63.026   22.698  174.470   23.122  174.941   34.474 -0.4714050 41.51020 
1 1 1  -10    5    5 o  723.634   25.031  1047.88   67.965  1055.84   85.396  1034.14  112.254  729.666   29.990  717.602   40.086 12.06470 50.06266 
1 1 1  -10    5    6 o  947.575   24.763  1786.14   91.449  1856.99  133.590  1723.66  125.452  964.962   35.476  930.187   34.560 34.77466 49.52695 
1 1 1  -10    5    7 o  347.077   16.838  237.250   22.801  243.216   32.290  231.318   32.200  351.464   23.543  342.689   24.078 8.775116 33.67527 
1 1 1  -10    5    8 o  833.130   22.798  1373.66   74.067  1418.27  107.253  1332.98  102.409  845.949   32.489  820.311   31.991 25.63812 45.59532 
1 1 1  -10    5    9 o  746.708   21.630  1101.14   63.011  1130.98   90.373  1072.90   87.900  756.543   30.611  736.874   30.568 19.66882 43.25980 
1 1 1  -10    5   10 o  714.446   29.982  1013.99   83.412  1091.58  122.855  947.638  113.610  739.633   42.564  689.259   42.238 50.37390 59.96472 
1 1 1  -10    5   11 o  641.121   20.060  809.517   50.188  816.041   70.992  802.997   70.962  643.726   28.260  638.515   28.479 5.210999 40.12086 
1 1 1  -10    5   12 f  479.719   18.127  452.243   33.934  452.872   47.832  451.605   48.151  480.069   25.532  479.369   25.740 0.6997681 36.25471 
1 1 1  -10    5   13 o  409.615   17.558  329.197   28.035  351.619   40.216  308.002   39.101  423.222   24.350  396.008   25.302 27.21414 35.11575 
1 1 1  -10    5   14 o  810.721   22.499  1293.83   71.134  1340.62  102.912  1251.03   98.434  824.697   31.977  796.744   31.659 27.95319 44.99792 
1 1 1  -10    5   15 o  675.858   40.752  906.141  107.483   0.0000   0.0000  906.141  107.483  ?   ?   675.858   40.752      ?      ? 
1 1 1  -10    5   16 o  372.882   18.037  273.286   26.198  275.858   36.075  270.416   38.109  374.821   24.663  370.944   26.326 3.877960 36.07404 
1 1 1  -10    5   17 o  977.910   25.297  1886.76   96.362  1982.41  141.618  1804.30  131.498  1000.73   36.263  955.086   35.281 45.64771 50.59447 
1 1 1  -10    5   18 o  613.726   20.166  742.063   48.287  757.008   68.130  726.979   68.446  620.009   28.159  607.444   28.874 12.56494 40.33146 
1 1 1  -10    5   19 o  818.021   22.998  1319.10   73.283  1266.99  100.036  1379.45  107.658  800.795   32.011  835.246   33.029 -34.45148 45.99630 
1 1 1  -10    5   20 o  783.390   22.566  1212.65   68.953  1200.08   95.824  1226.16   99.298  779.305   31.509  787.474   32.313 -8.168274 45.13210 
1 1 1  -10    5   21 o  765.946   22.367  1160.61   66.834  1164.42   93.457  1156.63   95.615  767.369   31.209  764.523   32.048 2.846130 44.73350 
1 1 1  -10    5   22 o  545.088   47.046  599.715  100.074   0.0000   0.0000  599.715  100.074  ?   ?   545.088   47.046      ?      ? 
1 1 1  -10    5   23 o  482.095   27.087  418.868   41.889  387.067   46.595  552.856   95.643  442.424   26.988  521.767   46.973 -79.34277 54.17358 
1 1 1  -10    5   24 o  885.721   24.479  1570.53   84.525  1545.24  116.608  1598.53  122.699  878.615   34.009  892.826   35.216 -14.21069 48.95713 
1 1 1  -10    5   25 o  433.140   19.635  373.643   33.121  372.417   45.390  375.040   48.437  432.658   26.883  433.622   28.624 -0.9635010 39.26926 
1 1 1  -10    5   26 o  240.265   20.858  115.714   19.547  120.637   28.137  111.122   27.174  245.220   29.403  235.309   29.593 9.910736 41.71664 
1 1 1  -10    5   28 o  414.173   19.902  345.991   32.077  353.288   44.058  337.760   46.792  419.377   26.921  408.969   29.319 10.40759 39.80389 
1 1 1  -10    5   29 o  322.410   20.552  207.440   25.680  182.987   34.081  239.560   39.060  300.739   29.040  344.082   29.090 -43.34232 41.10369 
1 1 1  -10    5   30 o  553.320   21.232  619.566   45.529  586.742   60.343  662.948   69.373  537.404   28.773  569.236   31.229 -31.83148 42.46402 
1 1 1  -10    5   31 f  238.896   22.246  117.956   20.515  140.337   29.586   97.227   28.473  261.753   28.964  216.038   33.773 45.71515 44.49163 
1 1 1  -10    5   32 o  448.848   21.237  414.804   37.078  393.132   50.048  441.172   55.205  436.460   29.384  461.235   30.671 -24.77475 42.47452 
1 1 1  -10    5   33 o  160.783   32.126   46.916   18.046   90.102   40.054   35.917   20.214  193.781   51.919  127.784   37.850 65.99718 64.25121 
1 1 1  -10    5   34 o  156.277   40.538  -4.9145   23.814 -23.8073   25.092  166.599   75.601   71.802   33.946  240.751   73.627 -168.9486 81.07531 
1 1 1  -10    5   35 o  358.454   22.696  271.068   31.704  290.870   45.581  252.508   44.127  371.687   31.425  345.220   32.755 26.46759 45.39161 
1 1 1  -10    6    1 o  187.786   31.980   83.298   20.355   92.110   22.605   45.517   46.806  215.851   26.836  159.721   58.059 56.13051 63.96060 
1 1 1  -10    6    2 o  184.918   21.730   69.598   15.097   82.734   21.303   56.345   21.398  204.589   26.682  165.247   34.304 39.34256 43.45974 
1 1 1  -10    6    3 o  325.622   19.938  209.853   24.263  209.832   30.257  209.890   40.608  326.269   23.764  324.974   32.020 1.294159 39.87542 
1 1 1  -10    6    4 o  137.976   20.688   37.682   10.065   35.622   11.992   42.592   18.512  132.439   24.091  143.514   33.639 -11.07521 41.37583 
1 1 1  -10    6    5 o  662.325   24.030  883.722   60.200  922.383   77.288  824.086   95.991  682.701   29.010  641.948   38.318 40.75269 48.06082 
1 1 1  -10    6    6 o  441.397   20.049  392.963   33.144  416.876   42.173  354.335   53.600  460.201   23.483  422.592   32.502 37.60919 40.09778 
1 1 1  -10    6    7 o  312.178   18.002  191.859   20.717  191.657   25.430  192.258   35.725  312.416   20.858  311.940   29.348 0.4759216 36.00478 
1 1 1  -10    6    8 o  669.945   24.012  887.626   60.295  883.010   75.376  895.827  100.476  668.957   28.874  670.934   38.375 -1.977539 48.02444 
1 1 1  -10    6    9 o  458.531   25.226  403.132   44.393  334.765   57.077  507.813   70.627  410.954   35.591  506.107   35.760 -95.15317 50.45264 
1 1 1  -10    6   10 o  685.559   20.614  926.151   55.149  924.262   77.726  928.067   78.262  684.871   29.082  686.247   29.224 -1.375671 41.22876 
1 1 1  -10    6   11 o  471.390   18.139  436.416   33.355  425.637   46.421  447.922   47.959  465.388   25.561  477.391   25.743 -12.00339 36.27748 
1 1 1  -10    6   12 o  651.587   20.237  833.015   51.380  886.145   75.120  786.311   70.431  671.039   28.686  632.135   28.551 38.90399 40.47319 
1 1 1  -10    6   13 o  281.583   16.744  155.879   18.363  162.765   25.583  148.560   26.375  288.071   22.757  275.095   24.568 12.97574 33.48833 
1 1 1  -10    6   14 o  770.355   31.078  1176.47   93.271  1111.79  127.546  1250.82  136.743  747.748   43.710  792.962   44.190 -45.21387 62.15525 
1 1 1  -10    6   15 o  415.854   22.244  343.401   34.299  332.396   57.911  349.348   42.569  410.010   36.194  421.698   25.868 -11.68741 44.48728 
1 1 1  -10    6   16 o  199.298   18.143   78.131   14.084   79.601   19.449   76.510   20.423  201.320   24.756  197.277   26.528 4.042847 36.28523 
1 1 1  -10    6   17 o  620.521   20.385  758.649   49.343  782.044   69.676  735.112   69.887  630.221   28.331  610.822   29.319 19.39893 40.77062 
1 1 1  -10    6   18 o  623.075   20.298  765.065   49.348  773.654   69.516  756.341   70.066  626.659   28.426  619.490   28.983 7.168762 40.59630 
1 1 1  -10    6   19 o  720.458   21.725  1024.48   61.046  1016.76   84.795  1032.79   87.956  717.763   30.273  723.154   31.168 -5.391174 43.44970 
1 1 1  -10    6   20 o  269.220   19.332  142.904   20.266  144.272   27.833  141.360   29.566  270.685   26.349  267.754   28.296 2.930969 38.66436 
1 1 1  -10    6   21 o  327.497   22.680  212.000   28.246  214.064   45.426  210.699   36.065  328.263   35.461  326.732   28.286 1.531067 45.36054 
1 1 1  -10    6   22 o  745.769   29.323  1051.83   74.115  990.996   84.728  1250.08  152.945  707.167   30.702  784.371   49.967 -77.20374 58.64578 
1 1 1  -10    6   23 o  270.420   20.481  146.209   21.331  173.221   30.203  119.326   30.130  295.950   26.151  244.889   31.528 51.06097 40.96248 
1 1 1  -10    6   24 f  564.625   20.481  634.906   45.082  643.286   62.644  625.904   64.930  568.772   28.223  560.477   29.686 8.295715 40.96124 
1 1 1  -10    6   25 o  305.599   20.392  187.844   24.145  206.521   33.503  167.658   34.829  322.034   26.659  289.164   30.865 32.87000 40.78399 
1 1 1  -10    6   26 o  310.786   21.907  193.605   26.240  187.994   34.303  201.520   40.738  306.087   28.718  315.485   33.090 -9.397461 43.81379 
1 1 1  -10    6   27 o  324.594   24.861  206.224   29.968  245.984   52.653  187.172   36.447  344.976   39.111  304.211   30.702 40.76553 49.72187 
1 1 1  -10    6   28 o  275.793   21.082  153.931   22.657  155.132   31.301  152.608   32.839  277.208   28.934  274.377   30.670 2.831116 42.16445 
1 1 1  -10    6   29 o  763.060   23.777  1193.98   70.671  1190.92   97.042  1197.43  103.123  763.149   32.585  762.971   34.635 0.1782837 47.55390 
1 1 1  -10    6   30 o  170.485   24.562   59.343   16.007   82.147   24.817   43.097   20.947  199.970   31.802  141.000   37.441 58.97014 49.12407 
1 1 1  -10    6   31 o  218.888   23.187   98.879   19.723  111.305   29.407   88.719   26.590  231.378   32.568  206.398   33.013 24.98000 46.37395 
1 1 1  -10    6   32 o  171.029   25.262   58.468   16.483   91.968   27.123   38.850   20.756  209.395   33.192  132.663   38.090 76.73137 50.52330 
1 1 1  -10    6   33 o  240.852   29.575  123.708   25.429  142.832   45.397  114.964   30.697  248.092   48.629  233.611   33.673 14.48083 59.14944 
1 1 1  -10    6   34 o  178.685   40.167   77.128   28.161   76.507   31.444   79.645   63.295  181.805   44.646  175.565   66.786 6.239212 80.33493 
1 1 1  -10    7    1 o  158.346   22.590   50.914   13.703   59.386   19.472   42.602   19.288  173.223   28.806  143.470   34.805 29.75249 45.17969 
1 1 1  -10    7    2 o  492.642   23.108  478.134   44.236  538.937   65.966  428.446   59.632  520.930   32.450  464.355   32.908 56.57480 46.21575 
1 1 1  -10    7    3 o  428.538   23.883  364.776   39.916  383.109   57.263  347.450   55.669  439.086   33.419  417.990   34.128 21.09567 47.76591 
1 1 1  -10    7    4 o  358.201   22.530  253.924   31.423  278.764   45.410  231.102   43.527  375.127   31.020  341.274   32.683 33.85345 45.06044 
1 1 1  -10    7    5 o  595.752   22.753  707.996   50.894  721.560   64.178  685.013   83.541  604.788   27.193  586.717   36.487 18.07147 45.50537 
1 1 1  -10    7    6 o  299.832   19.410  184.913   21.381  204.958   27.040  151.474   34.925  323.062   21.448  276.602   32.356 46.46033 38.81901 
1 1 1  -10    7    7 o  687.978   25.513  956.502   65.260  1001.01   81.965  879.435  107.861  712.170   29.493  663.786   41.639 48.38440 51.02591 
1 1 1  -10    7    8 o  446.164   25.516  394.744   44.275  438.066   63.380  353.453   61.876  470.377   34.528  421.950   37.578 48.42627 51.03220 
1 1 1  -10    7    9 o  880.226   27.979  1545.90   92.453  1564.23  116.345  1514.48  152.291  889.564   33.515  870.887   44.811 18.67712 55.95748 
1 1 1  -10    7   10 o  532.906   22.476  572.593   44.971  612.286   57.559  510.397   72.051  558.039   26.431  507.773   36.361 50.26627 44.95301 
1 1 1  -10    7   11 o  451.238   21.420  399.321   35.657  395.647   43.713  406.625   61.639  448.840   24.957  453.635   34.819 -4.795258 42.83925 
1 1 1  -10    7   12 o  1073.47   33.014  2328.50  132.362  2412.20  166.661  2185.52  217.824  1103.56   38.700  1043.37   53.498 60.18640 66.02779 
1 1 1  -10    7   13 o  982.972   50.664  1933.64  194.346   0.0000   0.0000  1933.64  194.346  ?   ?   982.972   50.664      ?      ? 
1 1 1  -10    7   14 o  477.774   25.119  407.211   44.497  632.927   78.401  299.950   54.046  565.950   35.499  389.599   35.548 176.3508 50.23727 
1 1 1  -10    7   15 o  595.742   19.999  698.657   46.471  713.620   65.176  683.185   66.276  602.329   27.728  589.154   28.827 13.17505 39.99816 
1 1 1  -10    7   16 o  757.841   22.099  1132.14   65.298  1117.40   90.255  1148.33   94.590  752.805   30.722  762.877   31.773 -10.07190 44.19712 
1 1 1  -10    7   17 o  489.080   19.410  468.725   36.942  443.472   50.007  499.061   54.809  474.715   26.994  503.445   27.898 -28.72952 38.81950 
1 1 1  -10    7   18 o  214.528   21.401   90.883   17.869   91.891   24.484   89.734   26.140  215.895   29.060  213.161   31.424 2.734848 42.80141 
1 1 1  -10    7   19 f  455.910   19.702  410.441   34.906  419.888   47.574  399.424   51.375  461.835   26.397  449.986   29.257 11.84915 39.40476 
1 1 1  -10    7   20 o  363.454   20.199  260.354   28.436  258.332   37.911  262.954   42.998  362.080   26.830  364.829   30.201 -2.748596 40.39786 
1 1 1  -10    7   22 o  745.248   31.124  1102.58   90.517  1102.58   90.517   0.0000   0.0000  745.248   31.124  ?   ?       ?      ? 
1 1 1  -10    7   23 o  384.767   20.221  290.453   30.089  269.311   39.484  319.737   46.468  368.528   27.454  401.006   29.694 -32.47772 40.44120 
1 1 1  -10    7   24 o  351.292   20.586  242.885   27.939  224.676   36.532  268.542   43.364  335.957   27.865  366.628   30.309 -30.67084 41.17117 
1 1 1  -10    7   25 o  228.443   24.207  106.817   20.346   74.102   27.658  145.397   30.035  187.318   39.099  269.567   28.551 -82.24947 48.41419 
1 1 1  -10    7   26 o  361.111   34.208  265.245   48.207   0.0000   0.0000  265.245   48.207  ?   ?   361.111   34.208      ?      ? 
1 1 1  -10    7   27 o  289.235   29.515  179.652   30.068  166.067   51.827  186.545   36.916  275.109   50.121  303.362   31.184 -28.25305 59.02999 
1 1 1  -10    7   28 o  120.572   25.565   28.448   12.543   38.696   21.400   23.085   15.481  134.738   38.674  106.406   33.446 28.33183 51.13041 
1 1 1  -10    7   29 o  306.548   22.450  194.006   26.504  208.528   35.702  176.178   39.558  320.804   28.518  292.292   34.681 28.51166 44.90041 
1 1 1  -10    7   30 o  115.196   25.883   25.071   12.606   38.205   21.940   18.598   15.403  132.730   39.460   97.661   33.504 35.06973 51.76501 
1 1 1  -10    7   31 o  277.764   22.670  160.529   24.421  183.375   35.057  138.991   34.038  297.969   30.148  257.559   33.865 40.41095 45.34086 
1 1 1  -10    7   32 o  342.116   27.064  247.353   35.351  271.731   57.060  232.166   45.035  352.870   41.436  331.361   34.827 21.50897 54.12884 
1 1 1  -10    7   33 o  212.478   42.526  112.735   30.552  113.539   32.651  107.075   86.606  230.667   36.273  194.288   76.929 36.37862 85.05171 
1 1 1  -10    7   34 o  361.182   38.685  346.347   43.200  395.970   51.508  228.659   79.323  435.446   30.312  286.919   71.185 148.5273 77.37029 
1 1 1  -10    8    1 o  184.842   31.271   79.112   20.281   88.640   22.948   45.125   43.340  211.928   27.748  157.757   56.049 54.17175 62.54155 
1 1 1  -10    8    2 o  615.465   63.643  830.631   90.053  830.986   95.597  827.829  268.349  645.842   37.930  585.088  121.503 60.75421 127.2857 
1 1 1  -10    8    3 o  390.357   45.235  377.631   48.403  233.688  109.188  412.837   53.999  323.720   85.252  456.994   30.279 -133.2745 90.46980 
1 1 1  -10    8    4 o  672.758   27.353  900.387   71.777  931.100  103.439  871.866   99.682  683.784   38.765  661.732   38.601 22.05145 54.70605 
1 1 1  -10    8    5 o  268.353   19.854  141.649   20.705  160.540   30.034  124.541   28.582  285.473   26.960  251.234   29.153 34.23859 39.70861 
1 1 1  -10    8    6 o  349.038   22.514  240.927   30.562  243.189   41.657  238.291   44.976  351.005   30.412  347.070   33.207 3.935364 45.02899 
1 1 1  -10    8    7 o  804.807   44.781  1294.14  140.642  1294.14  140.642   0.0000   0.0000  804.807   44.781  ?   ?       ?      ? 
1 1 1  -10    8    8 o  318.597   21.462  203.969   25.207  212.715   31.319  187.883   42.473  329.066   24.389  308.128   35.323 20.93774 42.92457 
1 1 1  -10    8    9 o  529.629   21.993  561.204   43.527  583.404   54.857  523.472   71.517  544.838   25.801  514.421   35.625 30.41663 43.98680 
1 1 1  -10    8   10 o  735.176   25.378  1049.90   68.758  1013.22   83.722  1125.91  120.511  717.281   29.910  753.072   41.007 -35.79102 50.75628 
1 1 1  -10    8   11 o  223.488   21.754   89.119   16.793   79.826   19.231  118.960   34.460  201.658   24.437  245.317   35.996 -43.65904 43.50740 
1 1 1  -10    8   12 o  573.892  113.870  742.852  246.016   0.0000   0.0000  742.852  246.016  ?   ?   573.892  113.870      ?      ? 
1 1 1  -10    8   13 o  787.471  146.176  1490.74  432.665   0.0000   0.0000  1490.74  432.665  ?   ?   787.471  146.176      ?      ? 
1 1 1  -10    8   14 o  689.505   25.523  929.629   64.231  910.696   77.743  970.350  114.013  680.146   29.290  698.864   41.805 -18.71771 51.04518 
1 1 1  -10    8   15 o  671.213   25.818  891.989   63.156  892.080   76.723  891.798  111.230  673.011   29.213  669.415   42.579 3.596924 51.63681 
1 1 1  -10    8   16 o  740.565   28.021  1106.87   75.289  1139.22   91.846  1040.62  131.452  759.894   30.972  721.236   46.705 38.65796 56.04113 
1 1 1  -10    8   17 f  375.722   18.663  275.065   27.219  251.671   36.285  305.169   41.161  357.678   25.996  393.766   26.787 -36.08704 37.32682 
1 1 1  -10    8   18 o  691.311   21.539  942.870   58.036  932.775   79.933  954.124   84.401  687.574   29.790  695.048   31.117 -7.473389 43.07838 
1 1 1  -10    8   19 o  333.792   19.949  216.071   25.753  192.695   33.787  248.485   39.786  312.666   27.691  354.918   28.726 -42.25229 39.89889 
1 1 1  -10    8   20 o  634.302   31.182  796.149   77.186   0.0000   0.0000  796.149   77.186  ?   ?   634.302   31.182      ?      ? 
1 1 1  -10    8   21 o  445.466   31.221  315.927   38.261  286.937   40.727  533.790  111.649  381.105   27.385  509.827   56.118 -128.7224 62.44296 
1 1 1  -10    8   22 o  769.511   34.096  1182.06  102.388   0.0000   0.0000  1182.06  102.388  ?   ?   769.511   34.096      ?      ? 
1 1 1  -10    8   23 o  198.949   40.833   89.425   24.412   93.888   25.344   32.050   90.863  217.061   29.920  180.836   75.987 36.22523 81.66547 
1 1 1  -10    8   24 o  379.288   20.679  288.109   30.359  292.250   40.628  282.874   45.684  382.995   27.183  375.582   31.170 7.412933 41.35792 
1 1 1  -10    8   25 o  158.600   22.344   47.339   13.570   85.877   22.170   24.251   17.160  207.177   27.422  110.023   35.285 97.15470 44.68749 
1 1 1  -10    8   26 o  473.219   31.724  453.749   58.585   0.0000   0.0000  453.749   58.585  ?   ?   473.219   31.724      ?      ? 
1 1 1  -10    8   27 o  365.340   21.714  273.418   30.571  299.046   41.546  243.156   45.145  385.515   27.616  345.165   33.516 40.34967 43.42718 
1 1 1  -10    8   28 o  438.959   21.486  392.607   36.610  407.243   49.929  375.586   53.842  448.870   28.504  429.047   32.157 19.82214 42.97165 
1 1 1  -10    8   29 o  483.661   37.349  488.407   70.494   0.0000   0.0000  488.407   70.494  ?   ?   483.661   37.349      ?      ? 
1 1 1  -10    8   30 o  169.366   27.027   62.329   17.283   66.621   26.600   59.194   22.735  173.674   40.064  165.058   36.285 8.616623 54.05307 
1 1 1  -10    8   31 o  443.698   29.127  427.127   47.660  427.596   81.205  426.880   58.866  436.179   47.707  451.216   33.431 -15.03662 58.25459 
1 1 1  -10    8   32 o  371.493   25.788  296.676   36.205  281.981   57.787  306.172   46.453  359.515   41.189  383.471   31.042 -23.95563 51.57652 
1 1 1  -10    8   33 o  129.576   35.956   33.207   26.021   46.070   27.684 -64.3559   76.244  142.270   44.728  116.882   56.309 25.38762 71.91169 
1 1 1  -10    8   34 o  167.099   29.148   58.316   18.369   87.929   31.719   43.374   22.531  195.779   42.718  138.419   39.669 57.35982 58.29643 
1 1 1  -10    9    1 o  292.626   41.123  179.730   34.112  180.925   37.192  173.403   85.612  302.565   31.499  282.688   75.975 19.87720 82.24562 
1 1 1  -10    9    2 o  537.251   56.319  627.246   73.629  631.815   78.849  596.129  205.763  564.439   35.797  510.063  106.799 54.37582 112.6382 
1 1 1  -10    9    3 o  282.112   42.566  157.268   34.474  153.819   37.379  176.904   89.186  278.716   34.366  285.508   77.887 -6.792603 85.13177 
1 1 1  -10    9    4 o  796.969   42.311  1266.40  131.590  1266.40  131.590   0.0000   0.0000  796.969   42.311  ?   ?       ?      ? 
1 1 1  -10    9    5 o  498.357  104.992  562.319  197.743  562.319  197.743   0.0000   0.0000  498.357  104.992  ?   ?       ?      ? 
1 1 1  -10    9    6 o  548.943   58.909  665.476   77.511  606.786  218.632  673.914   82.896  514.590  112.049  583.297   36.417 -68.70740 117.8188 
1 1 1  -10    9    7 o  712.313   28.223  1007.03   78.441  1029.17  112.029  985.751  109.867  720.000   39.872  704.625   39.956 15.37518 56.44656 
1 1 1  -10    9    8 o  536.664   26.425  568.758   55.183  589.750   81.740  551.177   74.803  545.520   38.396  527.807   36.317 17.71271 52.85094 
1 1 1  -10    9    9 o  443.447   23.294  383.168   40.054  343.888   53.176  434.681   60.895  417.547   32.634  469.346   33.247 -51.79956 46.58728 
1 1 1  -10    9   10 o  551.633   22.791  604.000   46.866  614.134   58.513  585.866   78.275  559.007   26.823  544.260   36.854 14.74713 45.58155 
1 1 1  -10    9   11 o  748.859  138.882  1325.03  390.916   0.0000   0.0000  1325.03  390.916  ?   ?   748.859  138.882      ?      ? 
1 1 1  -10    9   12 o  566.701  112.872  724.003  240.846   0.0000   0.0000  724.003  240.846  ?   ?   566.701  112.872      ?      ? 
1 1 1  -10    9   13 o  903.168   28.823  1626.14   97.150  1643.75  121.312  1594.65  162.218  912.332   34.074  894.004   46.497 18.32843 57.64553 
1 1 1  -10    9   14 o  713.740   26.126  1014.27   68.723  1025.81   84.633  991.940  117.748  721.510   30.058  705.970   42.740 15.53979 52.25143 
1 1 1  -10    9   15 o  592.130   24.662  683.572   52.294  668.583   62.279  719.402   96.288  582.855   27.381  601.405   41.027 -18.55011 49.32487 
1 1 1  -10    9   16 o  594.997   26.552  721.748   56.639  755.099   68.763  651.379   99.883  619.075   28.463  570.919   44.832 48.15637 53.10397 
1 1 1  -10    9   17 o  163.818   35.734   52.472   18.544   54.006   19.543   38.620   58.731  162.600   31.939  165.036   63.934 -2.436188 71.46803 
1 1 1  -10    9   18 o  740.713   28.489  1072.19   73.966  1045.95   86.776  1141.90  141.445  727.731   30.556  753.695   48.091 -25.96368 56.97706 
1 1 1  -10    9   19 o  489.394   52.923  485.804  101.073   0.0000   0.0000  485.804  101.073  ?   ?   489.394   52.923      ?      ? 
1 1 1  -10    9   20 o  622.936   32.733  627.209   55.824  573.737   59.420  1029.24  162.929  538.859   28.257  707.013   59.053 -168.1540 65.46521 
1 1 1  -10    9   21 o  475.143   43.702  492.395   50.454  498.543   54.103  451.376  139.747  501.926   27.622  448.360   82.924 53.56622 87.40338 
1 1 1  -10    9   22 o  959.519   38.414  1855.17  143.839   0.0000   0.0000  1855.17  143.839  ?   ?   959.519   38.414      ?      ? 
1 1 1  -10    9   23 f  185.436   39.495   85.459   25.003   94.184   25.581 -101.0429  118.273  217.100   30.195  153.771   72.990 63.32986 78.98922 
1 1 1  -10    9   24 o  532.184   28.682  566.927   59.567  566.927   59.567   0.0000   0.0000  532.184   28.682  ?   ?       ?      ? 
1 1 1  -10    9   25 o  176.249   32.500   74.695   21.614   36.051   47.711   84.674   24.245  147.574   57.498  204.925   30.317 -57.35164 65.00072 
1 1 1  -10    9   26 o  208.084   30.658   87.651   24.895   0.0000   0.0000   87.651   24.895  ?   ?   208.084   30.658      ?      ? 
1 1 1  -10    9   27 o  560.367   34.372  643.284   75.163   0.0000   0.0000  643.284   75.163  ?   ?   560.367   34.372      ?      ? 
1 1 1  -10    9   28 o  645.160   35.147  858.946   88.488   0.0000   0.0000  858.946   88.488  ?   ?   645.160   35.147      ?      ? 
1 1 1  -10    9   29 o  573.904   40.032  698.585   89.655   0.0000   0.0000  698.585   89.655  ?   ?   573.904   40.032      ?      ? 
1 1 1  -10    9   30 o  246.138   23.960  126.619   22.991  130.490   33.442  123.150   31.659  249.469   34.352  242.807   33.412 6.662018 47.92082 
1 1 1  -10    9   31 o  277.286   26.618  163.646   27.922  168.497   45.485  160.712   35.371  277.565   41.992  277.008   32.721 0.5571289 53.23561 
1 1 1  -10    9   32 o  116.884   36.751   13.322   23.221   17.787   24.231 -36.9108   81.274  104.651   40.920  129.118   61.058 -24.46693 73.50212 
1 1 1  -10    9   33 o  297.973   33.160  187.516   38.559  187.516   38.559   0.0000   0.0000  297.973   33.160  ?   ?       ?      ? 
1 1 1  -10   10    1 o  582.459   36.795  672.338   83.635  672.338   83.635   0.0000   0.0000  582.459   36.795  ?   ?       ?      ? 
1 1 1  -10   10    2 o  566.726   36.175  636.099   80.004  636.099   80.004   0.0000   0.0000  566.726   36.175  ?   ?       ?      ? 
1 1 1  -10   10    3 o  606.041   36.625  727.500   86.620  727.500   86.620   0.0000   0.0000  606.041   36.625  ?   ?       ?      ? 
1 1 1  -10   10    4 o  749.657   99.443  1354.07  280.129  1426.32  402.438  1286.15  390.171  771.308  138.807  728.007  142.438 43.30060 198.8868 
1 1 1  -10   10    5 o  717.120   68.477  1156.82  116.055  1173.08  124.129  1043.93  327.138  768.285   41.402  665.956  130.546 102.3286 136.9538 
1 1 1  -10   10    6 o  194.571   34.310   80.955   24.038   86.837   27.583   62.384   49.015  209.707   33.705  179.436   59.773 30.27119 68.62067 
1 1 1  -10   10    7 o  958.833   90.550  2129.54  189.516  2143.54  200.584  2013.06  578.508  1035.12   49.656  882.543  174.158 152.5798 181.0990 
1 1 1  -10   10    8 o  913.129   32.645  1651.94  115.926  1784.10  172.944  1544.11  156.218  945.805   46.857  880.452   45.467 65.35297 65.28996 
1 1 1  -10   10    9 o  858.169   31.524  1465.48  105.566  1484.80  149.485  1446.27  149.102  863.901   44.341  852.437   44.822 11.46393 63.04829 
1 1 1  -10   10   10 o  824.156  152.229  1652.79  471.560   0.0000   0.0000  1652.79  471.560  ?   ?   824.156  152.229      ?      ? 
1 1 1  -10   10   11 o  809.959   27.302  1297.70   81.842  1293.87  100.856  1305.09  140.046  810.132   31.902  809.786   44.317 0.3457642 54.60496 
1 1 1  -10   10   12 o  384.522   23.841  294.076   32.248  296.963   38.223  286.946   60.069  388.825   25.190  380.220   40.484 8.605469 47.68136 
1 1 1  -10   10   13 o  282.633   23.532  132.962   21.556  116.308   23.894  205.794   49.968  243.300   25.166  321.966   39.770 -78.66585 47.06324 
1 1 1  -10   10   14 o  511.710   24.082  539.397   44.311  580.737   54.416  458.032   76.342  543.495   25.657  479.925   40.762 63.56982 48.16432 
1 1 1  -10   10   15 o  491.185   26.108  486.916   44.475  497.603   52.440  459.531   83.944  502.844   26.724  479.527   44.859 23.31662 52.21554 
1 1 1  -10   10   16 o  560.387   26.367  576.277   48.993  537.978   55.312  715.766  105.559  522.694   27.117  598.081   45.228 -75.38672 52.73386 
1 1 1  -10   10   17 o  401.517   30.543  330.390   37.834  336.024   42.389  308.322   83.894  413.138   26.292  389.895   55.138 23.24203 61.08604 
1 1 1  -10   10   18 o  432.221   51.694  378.041   87.193   0.0000   0.0000  378.041   87.193  ?   ?   432.221   51.694      ?      ? 
1 1 1  -10   10   19 o  158.221   37.973   53.700   21.579   61.006   22.112 -92.2320   98.823  172.403   34.075  144.039   67.873 28.36424 75.94606 
1 1 1  -10   10   20 o  254.708   40.984  110.809   25.188  104.879   26.346  173.847   85.901  230.085   29.342  279.332   76.537 -49.24762 81.96869 
1 1 1  -10   10   21 o  495.300   31.254  427.897   44.704  397.333   48.249  613.211  118.807  447.680   27.618  542.920   56.075 -95.24039 62.50767 
1 1 1  -10   10   22 o  171.480   44.183   33.685   18.071   30.868   18.442  101.590   90.554  122.638   36.106  220.322   80.653 -97.68398 88.36648 
1 1 1  -10   10   24 o  432.939   44.166  373.678   63.950  336.935   72.381  504.408  136.529  400.965   46.258  464.913   75.252 -63.94763 88.33297 
1 1 1  -10   10   25 o  408.435   49.414  349.394   63.753  317.811   71.549  471.091  140.449  387.147   47.359  429.723   86.742 -42.57663 98.82839 
1 1 1  -10   10   26 o  226.105   92.084  122.225  127.826   0.0000   0.0000  122.225  127.826  ?   ?   226.105   92.084      ?      ? 
1 1 1  -10   10   27 o  488.532   45.437  483.058   74.245  423.146   83.789  702.012  160.180  443.181   48.448  533.882   76.883 -90.70087 90.87493 
1 1 1  -10   10   28 o  470.283  107.788  690.289  193.585   0.0000   0.0000  690.289  193.585  ?   ?   470.283  107.788      ?      ? 
1 1 1  -10   10   29 o  282.542   30.301  164.242   33.410  164.242   33.410   0.0000   0.0000  282.542   30.301  ?   ?       ?      ? 
1 1 1  -10   10   30 o  117.773   24.818   30.793   14.788  -5.3344   25.836   48.397   18.035   85.465   38.126  150.081   31.783 -64.61641 49.63617 
1 1 1  -10   10   31 o  252.489   24.013  135.105   23.493  123.301   34.113  145.755   32.402  240.580   36.335  264.398   31.404 -23.81731 48.02526 
1 1 1  -10   10   32 o  298.996   43.876  174.195   34.606  156.192   36.784  312.859  102.084  271.358   34.736  326.633   80.585 -55.27469 87.75256 
1 1 1  -10   10   33 o  293.364   24.020  183.876   27.023  145.946   37.796  223.540   38.651  259.761   37.286  326.968   30.292 -67.20697 48.03970 
1 1 1  -10   11    1 o  390.967   46.480  332.593   49.959  340.563   54.766  293.083  121.935  415.279   33.794  366.655   86.600 48.62445 92.96069 
1 1 1  -10   11    2 o  547.516   77.518  674.569  159.848  663.138  225.326  686.149  226.799  542.342  110.223  552.691  109.027 -10.34918 155.0352 
1 1 1  -10   11    3 o  311.260   42.679  221.961   39.396  236.088   43.890  163.379   89.375  345.951   32.510  276.568   78.924 69.38245 85.35734 
1 1 1  -10   11    4 o  281.041   55.002  168.687   62.608  149.904   88.159  187.799   88.928  266.060   79.099  296.022   76.448 -29.96213 110.0042 
1 1 1  -10   11    5 o  518.093   56.208  611.740   73.505  631.569   79.634  497.589  191.070  565.208   36.104  470.978  106.461 94.22949 112.4162 
1 1 1  -10   11    6 o  277.992   36.891  201.108   33.102  245.715   38.704   79.600   63.878  353.472   28.058  202.511   68.239 150.9613 73.78208 
1 1 1  -10   11    7 o  593.602   57.795  765.518   85.414  775.268   91.943  704.096  230.771  625.928   37.641  561.276  109.290 64.65228 115.5907 
1 1 1  -10   11    8 o  517.546  105.938  596.643  206.755   0.0000   0.0000  596.643  206.755  ?   ?   517.546  105.938      ?      ? 
1 1 1  -10   11    9 o  813.887  150.537  1608.65  460.511   0.0000   0.0000  1608.65  460.511  ?   ?   813.887  150.537      ?      ? 
1 1 1  -10   11   10 o  379.127   25.730  284.569   37.701  286.283   50.070  282.325   57.291  380.812   33.693  377.442   38.896 3.370483 51.45962 
1 1 1  -10   11   11 f  243.110   31.929  128.440   28.706  184.372   39.585   66.399   41.691  305.592   33.194  180.628   54.553 124.9638 63.85813 
1 1 1  -10   11   12 o  577.489   24.696  624.436   49.510  586.071   57.273  737.884   98.488  545.850   26.887  609.128   41.433 -63.27838 49.39215 
1 1 1  -10   11   13 f  948.262   30.668  1725.31  103.248  1635.84  121.449  1958.51  196.080  909.445   34.220  987.079   50.904 -77.63373 61.33693 
1 1 1  -10   11   14 o  1200.12   36.162  2672.22  147.483  2459.40  168.174  3380.96  306.905  1112.65   38.732  1287.60   61.079 -174.9525 72.32435 
1 1 1  -10   11   15 o  739.946   27.811  1009.66   70.485  931.891   80.708  1259.64  144.699  687.201   30.095  792.693   46.777 -105.4919 55.62177 
1 1 1  -10   11   16 o  212.883   35.977   84.488   20.851   82.107   22.146  103.086   61.897  204.113   27.803  221.653   66.366 -17.54016 71.95404 
1 1 1  -10   11   17 o  447.233   33.088  414.396   53.052  436.538   64.613  368.584   92.939  468.970   35.306  425.497   55.972 43.47211 66.17649 
1 1 1  -10   11   18 o  557.921   32.736  573.911   52.924  549.346   57.455  711.504  135.977  527.487   27.911  588.356   59.223 -60.86902 65.47108 
1 1 1  -10   11   19 o  258.555   41.241  132.900   26.628  131.165   28.051  148.719   84.703  257.531   27.911  259.578   77.615 -2.047180 82.48129 
1 1 1  -10   11   20 o  258.374   43.441  137.395   26.830  136.781   28.007  144.249   93.542  262.767   27.313  253.980   82.477 8.786972 86.88158 
1 1 1  -10   11   21 f  375.191   44.794  319.054   39.943  323.847   42.607  284.278  114.760  403.860   27.035  346.523   85.411 57.33749 89.58780 
1 1 1  -10   11   22 o  230.320   49.261  119.530   28.726  122.539   29.263   39.758  150.672  247.391   30.311  213.249   93.744 34.14108 98.52295 
1 1 1  -10   11   23 o  201.156   50.375   95.300   51.376  122.425   54.612 -113.4729  151.507  232.748   59.805  169.565   81.080 63.18364 100.7500 
1 1 1  -10   11   24 o  206.739   49.943  103.897   48.364  122.150   53.579   23.584  112.388  231.248   59.138  182.230   80.499 49.01791 99.88688 
1 1 1  -10   11   25 o  444.606   38.636  356.436   42.903  335.056   45.249  546.714  134.989  407.772   28.435  481.440   71.850 -73.66727 77.27183 
1 1 1  -10   11   26 o  160.866   42.839   47.175   21.801   48.818   22.267   9.1712  107.086  150.766   37.891  170.965   76.843 -20.19858 85.67747 
1 1 1  -10   11   27 f  457.205   75.503  518.605  134.711   0.0000   0.0000  518.605  134.711  ?   ?   457.205   75.503      ?      ? 
1 1 1  -10   11   28 o  216.380   47.013   96.151   26.551   93.835   27.288  137.310  115.017  213.016   32.826  219.745   88.110 -6.728546 94.02629 
1 1 1  -10   11   29 f  234.887   47.948  159.393   39.297  165.938   40.571   60.007  158.094  279.551   37.190  190.223   88.391 89.32739 95.89610 
1 1 1  -10   11   30 o  345.663   46.792  321.273   62.575  495.574   89.090  151.558   87.910  467.121   48.873  224.205   79.808 242.9161 93.58351 
1 1 1  -10   11   31 o  152.419   43.405   39.442   23.940   37.796   24.714   64.466   96.376  130.875   42.385  173.962   75.759 -43.08682 86.80958 
1 1 1  -10   11   32 o  197.946   39.022  108.887   29.725  118.113   31.862   46.943   82.559  235.681   34.643  160.210   69.935 75.47139 78.04453 
1 1 1  -10   12    1 o  359.791   61.988  281.825   86.233  279.897  122.066  283.747  121.840  358.471   87.926  361.111   87.401 -2.640564 123.9753 
1 1 1  -10   12    2 o  172.038   41.007   54.280   33.612   32.372   47.440   76.365   47.631  150.654   57.697  193.422   58.286 -42.76749 82.01366 
1 1 1  -10   12    3 o  282.747   38.908  193.018   36.343  225.794   42.629  105.813   69.534  338.422   32.279  227.071   70.806 111.3507 77.81615 
1 1 1  -10   12    4 o  166.020   39.468   47.068   27.754   38.690   32.595   69.159   52.929  143.931   48.744  188.110   62.087 -44.17882 78.93514 
1 1 1  -10   12    5 o  324.008   41.282  260.659   44.255  324.778   53.495  121.612   78.777  405.676   33.791  242.341   75.331 163.3349 82.56300 
1 1 1  -10   12    6 o  456.583   52.740  457.119   66.435  468.397   73.010  402.826  160.190  486.352   38.468  426.815   98.216 59.53668 105.4802 
1 1 1  -10   12    7 o  831.439  153.962  1693.70  481.148   0.0000   0.0000  1693.70  481.148  ?   ?   831.439  153.962      ?      ? 
1 1 1  -10   12    8 o  688.823   66.454  968.451  103.181  955.808  108.792  1081.63  325.497  694.120   40.163  683.525  126.694 10.59503 132.9075 
1 1 1  -10   12    9 o  242.592   38.809  137.269   32.576  154.679   37.348   81.904   66.603  279.813   34.203  205.370   69.676 74.44305 77.61885 
1 1 1  -10   12   10 o  130.830   32.453   29.562   21.460   43.185   28.059   10.363   33.309  146.791   44.848  114.868   46.919 31.92282 64.90623 
1 1 1  -10   12   11 o  720.983   70.611  1128.13  116.501  1126.65  123.554  1139.99  349.812  752.285   42.087  689.680  134.806 62.60510 141.2226 
1 1 1  -10   12   12 o  899.962   87.261  1973.77  181.773  2018.73  194.898  1673.22  503.866  1002.52   49.817  797.406  167.260 205.1133 174.5216 
1 1 1  -10   12   13 o  507.614   26.669  490.476   45.386  471.436   51.784  553.557   94.258  489.343   27.118  525.885   45.930 -36.54224 53.33793 
1 1 1  -10   12   14 o  609.329   26.832  665.937   54.711  606.193   61.783  883.002  117.766  554.540   28.550  664.118   45.440 -109.5781 53.66484 
1 1 1  -10   12   15 o  493.109   28.383  487.202   46.029  489.677   52.622  479.141   94.977  498.576   27.046  487.643   49.909 10.93292 56.76658 
1 1 1  -10   12   17 o  695.085   30.837  956.439   83.646  956.439   83.646   0.0000   0.0000  695.085   30.837  ?   ?       ?      ? 
1 1 1  -10   12   18 o  413.686   36.073  329.608   40.366  322.224   43.378  377.311  110.249  403.721   27.533  423.651   66.686 -19.93060 72.14655 
1 1 1  -10   12   20 o  429.545   37.311  353.293   41.551  343.247   44.283  427.252  120.151  415.774   27.293  443.317   69.452 -27.54346 74.62192 
1 1 1  -10   12   21 o  377.090   58.403  297.280   39.911  292.831   40.933  383.089  179.760  383.432   27.356  370.747  113.557 12.68484 116.8052 
1 1 1  -10   12   22 o  155.210   46.384   27.963   43.151   43.284   47.247 -49.0791  105.946  154.389   57.933  156.030   72.455 -1.640976 92.76842 
1 1 1  -10   12   23 o  382.147   53.116  361.278   66.237  376.297   76.498  316.286  132.403  422.786   46.366  341.508   95.579 81.27863 106.2310 
1 1 1  -10   12   24 o  219.899   45.020  121.573   30.638  127.395   31.624   32.623  123.609  250.339   32.371  189.460   84.020 60.87819 90.04086 
1 1 1  -10   12   25 o  201.331   48.813   63.664   23.506   60.242   24.006  143.306  115.810  167.809   37.591  234.853   90.099 -67.04395 97.62651 
1 1 1  -10   12   26 o  160.278   45.613   36.831   21.566   35.973   21.983   58.795  111.242  130.195   39.679  190.361   82.144 -60.16580 91.22521 
1 1 1  -10   12   27 o  307.110   49.126  180.596   34.118  169.441   35.480  317.597  124.339  287.232   31.653  326.988   93.013 -39.75583 98.25179 
1 1 1  -10   12   28 o  256.431   88.830  206.921  108.399   0.0000   0.0000  206.921  108.399  ?   ?   256.431   88.830      ?      ? 
1 1 1  -10   12   29 o  214.907   38.743  133.442   31.767  149.361   34.599   47.967   80.171  266.937   33.214  162.877   70.007 104.0600 77.48653 
1 1 1  -10   12   30 o  286.575   44.217  264.565   41.407  290.851   44.937  116.682  106.587  373.929   30.795  199.220   82.900 174.7095 88.43475 
1 1 1  -10   12   31 o  268.389   51.980  208.181   38.721  208.235   39.732  207.164  172.784  314.941   32.328  221.838   98.805 93.10327 103.9597 
1 1 1  -10   12   32 o  210.315   46.722  119.643   32.015  121.555   32.618   69.347  167.290  238.328   35.071  182.302   86.613 56.02600 93.44400 
1 1 1  -10   13    1 o  522.745   74.472  606.633  146.611  544.634  202.868  674.416  212.120  492.250  108.528  553.241  102.009 -60.99026 148.9434 
1 1 1  -10   13    2 f  985.065  190.022  2600.11  703.997   0.0000   0.0000  2600.11  703.997  ?   ?   985.065  190.022      ?      ? 
1 1 1  -10   13    3 o  475.316  100.806  500.451  181.185   0.0000   0.0000  500.451  181.185  ?   ?   475.316  100.806      ?      ? 
1 1 1  -10   13    4 o  363.475   47.874  294.759   55.773  314.089   64.261  235.744  112.282  397.734   41.402  329.215   86.333 68.51895 95.74706 
1 1 1  -10   13    5 o  338.028   45.153  231.233   46.348  227.875   51.540  245.426  105.961  339.082   38.950  336.973   81.475 2.108490 90.30661 
1 1 1  -10   13    6 o  687.156   60.742  936.030  101.864  919.947  107.857  1068.81  309.906  680.732   40.601  693.579  114.499 -12.84735 121.4847 
1 1 1  -10   13    7 o  333.721   43.299  274.914   43.761  310.533   49.899  156.256   91.075  396.708   32.232  270.735   80.375 125.9730 86.59728 
1 1 1  -10   13    8 o  721.495   69.734  1134.38  116.531  1135.95  123.861  1122.24  343.842  755.619   42.005  687.370  132.993 68.24884 139.4688 
1 1 1  -10   13    9 f  575.491   60.141  723.272   86.022  729.882   92.501  680.984  233.977  606.326   39.094  544.656  113.753 61.66986 120.2828 
1 1 1  -10   13   10 o  413.753   50.696  357.254   58.661  356.112   64.161  363.066  144.804  423.465   38.826  404.041   93.664 19.42401 101.3924 
1 1 1  -10   13   11 o  130.364   37.047   16.673   29.122   26.490   39.546   5.0426   43.044  137.057   52.634  123.671   52.151 13.38648 74.09458 
1 1 1  -10   13   12 o  247.835   42.826  141.085   42.973  178.981   52.812   66.832   73.927  299.076   45.250  196.594   72.723 102.4815 85.65149 
1 1 1  -10   13   13 o  182.546   40.777   62.576   37.797  109.593   49.328  -4.2839   58.823  228.112   55.859  136.979   59.420 91.13295 81.55317 
1 1 1  -10   13   14 o  356.514   50.402  340.994   49.943  374.518   54.452  163.320  125.356  435.130   32.067  277.899   95.567 157.2312 100.8039 
1 1 1  -10   13   15 o  369.052   33.861  270.103   48.766  270.103   48.766   0.0000   0.0000  369.052   33.861  ?   ?       ?      ? 
1 1 1  -10   13   16 o  482.263   32.648  466.820   46.497  465.721   51.200  471.992  111.065  485.783   27.008  478.743   59.449 7.039185 65.29628 
1 1 1  -10   13   18 o  186.428   37.301   88.212   23.453   97.405   24.269 -41.6417   91.213  221.644   28.059  151.212   69.125 70.43205 74.60229 
1 1 1  -10   13   19 o  437.388   32.673  265.101   35.109  235.834   36.636  594.357  122.882  344.633   27.241  530.144   59.397 -185.5106 65.34576 
1 1 1  -10   13   20 o  381.585   58.695  350.494   44.171  351.873   45.590  329.371  178.477  420.190   27.803  342.980  114.050 77.21017 117.3897 
1 1 1  -10   13   21 o  362.011   51.506  302.352   62.635  302.006   72.691  303.349  123.418  379.005   49.148  345.017   90.530 33.98767 103.0112 
1 1 1  -10   13   22 o  161.839   41.893   49.576   20.313   52.032   20.656 -22.3758  111.812  157.087   34.629  166.592   76.295 -9.505096 83.78561 
1 1 1  -10   13   23 o  341.757   44.906  171.902   31.127  156.933   32.064  416.822  129.694  278.853   29.465  404.661   84.840 -125.8082 89.81136 
1 1 1  -10   13   24 o  189.479   38.199   98.280   27.661  110.498   28.548 -89.0431  111.782  233.249   31.364  145.708   69.664 87.54070 76.39898 
1 1 1  -10   13   25 o  264.388   54.254  178.143   57.444  176.576   70.030  181.365  100.432  270.413   66.763  258.364   85.537 12.04819 108.5074 
1 1 1  -10   13   26 o  187.315   43.776   76.538   25.990   77.705   26.880   59.786  101.820  190.132   37.561  184.499   79.086 5.632965 87.55247 
1 1 1  -10   13   27 o  150.892   44.396   28.105   21.006   25.699   21.484   80.384  100.150  113.368   39.531  188.416   79.506 -75.04826 88.79108 
1 1 1  -10   13   28 o  223.215   40.258  145.165   33.023  159.498   35.573   55.782   88.832  276.167   33.007  170.264   73.439 105.9026 80.51542 
1 1 1  -10   13   29 o  128.804   41.317   15.169   18.163   14.753   18.444   28.503  104.370   94.309   36.010  163.299   74.374 -68.99018 82.63308 
1 1 1  -10   13   30 o  213.863   47.029  120.917   31.164  123.068   31.725   61.665  166.508  241.578   33.652  186.148   87.833 55.42993 94.05889 
1 1 1  -10   13   31 o  256.889   45.429  205.515   40.162  217.257   42.714  115.957  117.966  319.724   34.234  194.054   84.162 125.6700 90.85836 
1 1 1  -10   14    1 o  756.961   96.401  1348.27  278.576  1246.26  385.338  1459.95  403.199  718.039  142.548  795.883  129.819 -77.84363 192.8025 
1 1 1  -10   14    2 o  297.454   57.072  191.070   67.936  189.010   96.287  193.111   95.866  295.876   81.016  299.032   80.408 -3.155792 114.1450 
1 1 1  -10   14    3 o  645.531   87.391  965.698  212.084  1010.02  303.870  923.602  296.142  661.409  122.232  629.653  124.932 31.75659 174.7823 
1 1 1  -10   14    4 o  436.480   68.737  423.296  114.128  399.274  160.400  447.928  162.422  422.763   98.971  450.197   95.415 -27.43381 137.4746 
1 1 1  -10   14    5 f  557.326   57.585  659.125   83.552  659.904   90.401  654.566  218.831  576.352   40.193  538.301  107.929 38.05109 115.1706 
1 1 1  -10   14    6 o  499.849   55.890  552.059   75.151  563.612   82.173  492.995  185.798  532.717   39.527  466.981  104.558 65.73663 111.7803 
1 1 1  -10   14    7 o  703.159   69.118  1039.19  112.706  1028.33  119.454  1127.28  340.159  718.401   42.609  687.916  131.505 30.48505 138.2353 
1 1 1  -10   14    8 f  286.777   38.673  199.839   40.584  280.205   51.941   73.871   65.029  376.160   35.384  197.394   68.778 178.7662 77.34604 
1 1 1  -10   14    9 o  548.529   57.891  606.405   82.584  592.838   88.833  692.783  224.154  545.456   41.733  551.602  107.998 -6.146118 115.7813 
1 1 1  -10   14   10 o  465.697   55.618  475.848   73.462  483.994   81.122  438.721  173.188  492.614   42.199  438.780  102.922 53.83383 111.2370 
1 1 1  -10   14   11 o  196.001   44.337   78.160   40.521  106.307   52.341   36.055   64.017  224.425   58.989  167.577   66.207 56.84769 88.67398 
1 1 1  -10   14   12 o  591.882   63.122  822.556   98.955  854.731  108.652  666.059  239.624  654.104   42.566  529.660  118.852 124.4432 126.2447 
1 1 1  -10   14   13 o  211.972   87.756   46.017  118.570   46.017  118.570   0.0000   0.0000  211.972   87.756  ?   ?       ?      ? 
1 1 1  -10   14   14 o  263.835   61.585  148.688   62.253  148.688   62.253   0.0000   0.0000  263.835   61.585  ?   ?       ?      ? 
1 1 1  -10   14   16 o  169.719   43.519   35.844   18.019   33.886   18.400   81.662   89.004  128.329   35.529  211.110   79.457 -82.78174 87.03842 
1 1 1  -10   14   19 o  191.489   47.223   57.101   20.351   56.147   20.668   87.480  116.633  164.321   33.370  218.658   88.355 -54.33769 94.44654 
1 1 1  -10   14   20 o  447.824   80.992  480.363  136.331   0.0000   0.0000  480.363  136.331  ?   ?   447.824   80.992      ?      ? 
1 1 1  -10   14   21 o  212.585   47.646   80.863   24.300   79.153   24.839  118.983  117.274  197.727   32.191  227.442   89.689 -29.71512 95.29155 
1 1 1  -10   14   22 o  609.249   88.304  946.990  209.946   0.0000   0.0000  946.990  209.946  ?   ?   609.249   88.304      ?      ? 
1 1 1  -10   14   23 o  254.813   45.088  178.930   32.797  187.667   34.250   82.443  113.820  304.944   28.781  204.681   85.461 100.2630 90.17696 
1 1 1  -10   14   24 o  245.806   42.737  114.016   26.413  107.768   27.667  178.292   88.737  230.217   30.795  261.394   79.733 -31.17706 85.47323 
1 1 1  -10   14   25 o  165.954   43.168   21.856   50.532  125.051   64.731 -139.1539   80.855  224.224   68.033  107.685   53.155 116.5388 86.33672 
1 1 1  -10   14   26 o  166.961   44.275   33.582   20.175   28.241   20.726  130.224   88.157  116.789   38.866  217.133   79.565 -100.3434 88.55003 
1 1 1  -10   14   27 f  239.316   45.087  133.247   33.312  128.919   35.676  162.705   93.072  246.303   37.117  232.328   82.180 13.97507 90.17337 
1 1 1  -10   14   28 o  195.262   42.566   98.860   28.522  102.974   29.376   31.186  119.140  221.076   34.050  169.448   78.026 51.62784 85.13235 
1 1 1  -10   14   29 o  215.451   45.255  109.937   29.324  108.382   30.513  128.733  106.069  226.355   34.543  204.546   83.659 21.80859 90.50954 
1 1 1  -10   14   30 o  121.843   43.112   5.9404   17.059   6.6433   17.145 -63.1912  170.036   81.566   33.529  162.120   79.438 -80.55395 86.22401 
1 1 1  -10   15    1 o  624.998  122.100  911.590  287.120  911.590  287.120   0.0000   0.0000  624.998  122.100  ?   ?       ?      ? 
1 1 1  -10   15    2 o  622.976   86.082  905.412  201.765  919.320  286.738  891.772  283.960  628.137  121.369  617.815  122.107 10.32172 172.1647 
1 1 1  -10   15    3 o  156.430   38.767   39.993   30.321   66.794   44.926   17.574   41.091  181.853   56.948  131.007   52.617 50.84560 77.53448 
1 1 1  -10   15    4 o  359.085   63.402  285.347   88.553  288.498  126.950  282.360  123.583  360.771   90.365  357.399   88.959 3.372040 126.8049 
1 1 1  -10   15    5 o  605.071   85.070  855.399  193.786  872.218  276.279  839.112  271.885  611.238  120.109  598.904  120.505 12.33417 170.1400 
1 1 1  -10   15    6 o  643.356   61.775  928.279  108.127  950.221  118.985  824.255  259.071  689.674   44.210  597.039  115.370 92.63446 123.5504 
1 1 1  -10   15    7 o  451.757   53.034  511.911   74.422  603.962   88.009  280.897  139.423  550.666   40.955  352.847   97.842 197.8188 106.0676 
1 1 1  -10   15    8 o  842.476   79.433  1446.99  148.168  1408.27  155.683  1819.20  482.716  837.681   47.625  847.271  151.559 -9.589600 158.8652 
1 1 1  -10   15    9 o  268.242   48.930  155.208   49.392  159.388   59.757  146.192   87.753  275.361   57.467  261.122   79.210 14.23935 97.86024 
1 1 1  -10   15   10 f  239.113   41.360  124.173   43.768  192.387   58.200   35.375   66.403  309.288   48.220  168.938   67.212 140.3498 82.72060 
1 1 1  -10   15   11 o  138.430   62.858 -35.9248   73.837 -35.9248   73.837   0.0000   0.0000  138.430   62.858  ?   ?       ?      ? 
1 1 1  -10   15   12 o  789.487   47.477  1256.23  146.273  1256.23  146.273   0.0000   0.0000  789.487   47.477  ?   ?       ?      ? 
1 1 1  -10   15   13 o  282.760   46.432  190.188   54.348  261.916   68.779   70.956   88.676  359.611   49.011  205.910   78.878 153.7015 92.86416 
1 1 1  -10   15   14 f  1310.83   62.232  3580.20  318.340  3580.20  318.340   0.0000   0.0000  1310.83   62.232  ?   ?       ?      ? 
1 1 1  -10   15   15 o  333.664   53.888  284.602   67.315  338.973   79.391  145.539  126.968  406.898   49.998  260.430   95.477 146.4683 107.7763 
1 1 1  -10   15   16 o  687.249  172.004  1564.35  460.208   0.0000   0.0000  1564.35  460.208  ?   ?   687.249  172.004      ?      ? 
1 1 1  -10   15   17 o  399.660   57.909  379.914   47.663  382.100   49.544  352.758  174.637  437.858   28.995  361.463  112.129 76.39536 115.8174 
1 1 1  -10   15   18 o  300.846   53.419  247.461   65.003  293.049   74.144   96.007  135.141  373.740   50.836  227.952   93.968 145.7881 106.8378 
1 1 1  -10   15   19 o  159.506   50.360   4.3284   53.187   3.2333   59.722   8.5269  116.936  137.033   59.658  181.979   81.151 -44.94682 100.7202 
1 1 1  -10   15   20 o  235.685   99.778  121.875  158.564   0.0000   0.0000  121.875  158.564  ?   ?   235.685   99.778      ?      ? 
1 1 1  -10   15   21 o  355.357   57.014  422.184   82.400  494.627   90.905   88.474  195.106  481.660   48.363  229.053  103.265 252.6065 114.0289 
1 1 1  -10   15   22 o  321.313   28.292  208.132   35.474  208.132   35.474   0.0000   0.0000  321.313   28.292  ?   ?       ?      ? 
1 1 1  -10   15   23 o  411.507   69.781  471.796   55.276  468.977   56.444  537.798  273.157  480.703   30.089  342.311  136.279 138.3919 139.5616 
1 1 1  -10   15   24 o  274.760   59.983  171.996   34.678  170.008   35.062  261.418  235.176  288.371   31.156  261.150  115.849 27.22125 119.9654 
1 1 1  -10   15   25 o  124.337   60.970 -129.3617  100.759   0.0000   0.0000 -129.3617  100.759  ?   ?   124.337   60.970      ?      ? 
1 1 1  -10   15   26 o  175.802   47.343   41.970   21.174   37.587   21.597  150.414  107.429  130.964   39.200  220.639   86.192 -89.67493 94.68698 
1 1 1  -10   15   27 o  326.464  101.211  384.154  142.309   0.0000   0.0000  384.154  142.309  ?   ?   326.464  101.211      ?      ? 
1 1 1  -10   15   28 o  151.008   42.113   45.645   23.310   48.229   23.742 -23.3743  122.704  146.503   40.277  155.513   73.971 -9.009552 84.22531 
1 1 1  -10   15   29 o  121.516   39.016   17.587   19.077   20.240   19.308 -91.1000  123.602  102.700   37.296  140.331   68.541 -37.63058 78.03150 
1 1 1  -10   15   30 o  228.517   49.466  146.497   34.202  147.187   34.706  123.255  201.411  262.980   33.818  194.053   92.973 68.92645 98.93260 
1 1 1  -10   16    1 o   47.199   16.211 -11.4354   6.7097 -22.5047   16.597  -9.2730   7.3359   56.250   26.880   38.148   18.128 18.10189 32.42151 
1 1 1  -10   16    2 o  282.943   56.261  172.798   64.846  194.894   94.287  152.967   89.326  299.098   79.440  266.788   79.690 32.30957 112.5218 
1 1 1  -10   16    3 o  179.971   45.278   59.056   40.122   50.402   59.376   66.328   54.429  174.657   65.062  185.285   62.987 -10.62778 90.55585 
1 1 1  -10   16    4 f  679.562   94.254  1120.18  241.012  1134.78  342.932  1105.93  338.791  684.089  133.250  675.035  133.340 9.054443 188.5074 
1 1 1  -10   16    5 o  735.366  100.399  1337.16  277.309  1485.28  405.758  1207.33  379.868  777.950  138.742  692.782  145.155 85.16779 200.7973 
1 1 1  -10   16    6 o  476.035   74.522  520.051  134.842  492.068  190.650  548.061  190.740  461.242  107.848  490.828  102.872 -29.58640 149.0434 
1 1 1  -10   16    7 o  351.462   52.093  256.806   64.681  248.233   76.686  277.938  120.404  349.468   56.231  353.456   87.708 -3.987396 104.1859 
1 1 1  -10   16    8 o  715.038   48.435  1029.37  135.151  1029.37  135.151   0.0000   0.0000  715.038   48.435  ?   ?       ?      ? 
1 1 1  -10   16    9 o  313.650   93.855  221.428  123.821  221.428  123.821   0.0000   0.0000  313.650   93.855  ?   ?       ?      ? 
1 1 1  -10   16   10 o  269.262   62.010  158.437   74.984  133.522  117.703  175.455   97.279  256.588   92.239  281.936   82.902 -25.34805 124.0196 
1 1 1  -10   16   11 o  177.519   41.211   23.274   38.859  133.808   65.345 -37.1979   48.333  248.880   66.148  106.157   49.170 142.7228 82.42101 
1 1 1  -10   16   12 f  624.419   68.421  881.060  116.513  879.146  127.615  890.648  285.607  657.275   49.754  591.563  127.478 65.71198 136.8429 
1 1 1  -10   16   13 o  445.782   59.465  465.643   84.769  485.140   97.364  404.571  172.320  486.501   51.284  405.064  107.303 81.43756 118.9290 
1 1 1  -10   16   14 o  536.939   64.659  766.181  101.982  851.590  116.585  487.883  210.449  646.018   46.245  427.860  120.766 218.1588 129.3172 
1 1 1  -10   16   15 o  201.631   53.192   79.001   55.146   85.065   68.719   68.032   92.424  202.320   70.691  200.943   79.501 1.376282 106.3837 
1 1 1  -10   16   17 o  439.942   63.278  548.409   92.913  621.308  107.536  333.714  184.548  543.234   50.727  336.650  115.945 206.5843 126.5561 
1 1 1  -10   16   18 o  393.391   64.001  437.071   87.373  471.627   98.785  312.900  187.257  468.709   54.008  318.074  116.050 150.6352 128.0020 
1 1 1  -10   16   19 f  462.803   71.361  602.307   99.941  611.006  109.822  560.383  241.090  532.315   52.867  393.290  132.569 139.0245 142.7220 
1 1 1  -10   16   20 o  342.539   59.970  221.746   36.841  213.560   37.586  422.089  185.934  325.168   29.620  359.911  116.224 -34.74286 119.9395 
1 1 1  -10   16   21 o  267.119   56.194  160.596   33.868  159.758   34.440  185.194  186.613  280.396   31.474  253.842  107.892 26.55414 112.3886 
1 1 1  -10   16   22 o  238.089   31.976  115.665   29.710  115.665   29.710   0.0000   0.0000  238.089   31.976  ?   ?       ?      ? 
1 1 1  -10   16   23 o  219.173   55.396   90.561   26.886   89.974   27.090  129.184  219.663  209.105   33.198  229.242  105.701 -20.13766 110.7915 
1 1 1  -10   16   24 o  197.920   55.068   69.496   26.143   68.819   26.317  120.094  227.431  177.324   39.084  218.516  102.967 -41.19197 110.1350 
1 1 1  -10   16   25 o  202.394   61.265   52.990   22.318   50.752   22.397  366.961  265.286  151.671   37.937  253.118  116.509 -101.4475 122.5296 
1 1 1  -10   16   26 o  406.836   30.560  343.542   48.519  343.542   48.519   0.0000   0.0000  406.836   30.560  ?   ?       ?      ? 
1 1 1  -10   16   27 o  254.525   51.854  206.180   44.216  210.691   44.714   7.0692  297.072  314.327   36.453  194.723   97.091 119.6041 103.7084 
1 1 1  -10   16   28 o  180.083   52.128   58.831   25.140   58.033   25.307  118.565  218.867  160.244   40.462  199.922   96.084 -39.67818 104.2560 
1 1 1  -10   16   29 o  192.045   46.289   99.282   31.670  102.967   32.087 -39.7259  197.082  214.476   39.802  169.614   83.585 44.86218 92.57735 
1 1 1  -10   17    1 o  432.213   67.982  418.349  111.989  504.528  164.810  344.425  152.642  476.515   91.960  387.910  100.147 88.60406 135.9638 
1 1 1  -10   17    2 o  207.143   48.598   83.849   47.490   50.041   67.815  116.384   66.526  180.121   68.983  234.165   68.472 -54.04320 97.19619 
1 1 1  -10   17    3 o  263.478   56.074  149.986   62.752  130.346   90.310  168.321   87.259  248.898   81.050  278.057   77.511 -29.15913 112.1476 
1 1 1  -10   17    4 o  502.678  109.633  589.190  209.005  589.190  209.005   0.0000   0.0000  502.678  109.633  ?   ?       ?      ? 
1 1 1  -10   17    5 o  673.633  136.384  1132.88  346.225  1132.88  346.225   0.0000   0.0000  673.633  136.384  ?   ?       ?      ? 
1 1 1  -10   17    6 o   93.138   43.362 -33.3778   38.343 -33.3778   38.343   0.0000   0.0000   93.138   43.362  ?   ?       ?      ? 
1 1 1  -10   17    7 o  286.630   58.816  176.395   69.558  225.472  107.389  140.923   91.299  317.455   84.995  255.805   81.321 61.65028 117.6314 
1 1 1  -10   17    8 o  446.821   70.265  424.547  113.759  343.786  137.456  600.112  202.666  388.109   92.134  505.533  106.112 -117.4248 140.5290 
1 1 1  -10   17    9 o  855.800   55.623  1502.76  185.763  1502.76  185.763   0.0000   0.0000  855.800   55.623  ?   ?       ?      ? 
1 1 1  -10   17   10 o  343.677   54.635  273.396   72.562  326.727   93.768  193.787  114.564  396.307   60.630  291.047   90.906 105.2605 109.2703 
1 1 1  -10   17   11 o  490.517   61.385  578.627   98.370  622.625  115.818  464.704  186.365  549.396   54.021  431.639  110.246 117.7572 122.7698 
1 1 1  -10   17   12 o  371.792   57.764  329.928   79.672  366.903   98.332  259.268  135.934  417.610   60.338  325.975   98.519 91.63528 115.5275 
1 1 1  -10   17   13 o  181.563   47.395   17.310   50.810  136.381   82.025 -56.8252   64.722  245.330   76.969  117.796   55.326 127.5339 94.78958 
1 1 1  -10   17   14 o  431.200  116.395  510.844  200.420   0.0000   0.0000  510.844  200.420  ?   ?   431.200  116.395      ?      ? 
1 1 1  -10   17   15 o  160.210   48.863   10.226   56.434   36.689   79.225 -17.0337   80.407  172.666   71.629  147.753   66.482 24.91371 97.72679 
1 1 1  -10   17   16 o  316.120   59.857  261.122   74.060  282.704   88.147  209.321  136.565  352.184   66.576  280.057   99.495 72.12692 119.7144 
1 1 1  -10   17   17 o  335.822   58.691  314.502   80.537  373.142   96.599  180.821  145.851  411.314   60.182  260.330  100.779 150.9843 117.3811 
1 1 1  -10   17   18 f  201.542   59.108   74.924   74.306   71.087   93.377   81.549  122.697  194.004   78.822  209.081   88.102 -15.07730 118.2153 
1 1 1  -10   17   19 o  260.570   49.660  184.933   35.127  190.928   36.052   72.597  156.054  307.220   30.071  213.921   94.659 93.29913 99.32086 
1 1 1  -10   17   20 o  168.058   49.714   36.693   18.013   36.644   18.124   40.649  162.983  131.348   34.802  204.769   93.138 -73.42087 99.42728 
1 1 1  -10   17   21 o  306.449   55.200  290.795   43.455  298.015   44.282  102.821  225.943  383.227   29.610  229.671  106.354 153.5561 110.3991 
1 1 1  -10   17   22 o  227.511   56.514  102.062   29.695  101.112   29.957  155.611  224.955  221.001   34.735  234.021  107.559 -13.02037 113.0285 
1 1 1  -10   17   23 o  165.248   52.402   34.803   20.353   34.720   20.439   44.728  222.612  126.876   38.169  203.620   97.606 -76.74432 104.8040 
1 1 1  -10   17   24 o  196.046   36.981   83.584   27.255   83.584   27.255   0.0000   0.0000  196.046   36.981  ?   ?       ?      ? 
1 1 1  -10   17   25 o  165.873   50.903   42.658   20.881   42.802   20.957   23.142  243.994  139.036   37.684  192.710   94.575 -53.67392 101.8061 
1 1 1  -10   17   26 o  219.221   51.151  119.309   29.827  119.844   30.049   83.565  245.543  239.324   32.175  199.117   97.111 40.20671 102.3020 
1 1 1  -10   17   27 o  232.360   54.358  132.370   35.701  129.804   36.224  219.184  210.709  245.490   37.812  219.230  101.928 26.25946 108.7158 
1 1 1  -10   17   28 o  119.292   46.270 -20.1359   14.713 -20.8401   14.763   84.084  179.587   51.391   24.763  187.193   89.165 -135.8024 92.53969 
1 1 1  -10   18    1 o  520.131  112.888  645.883  222.558  645.883  222.558   0.0000   0.0000  520.131  112.888  ?   ?       ?      ? 
1 1 1  -10   18    2 o  132.016   38.541   12.093   32.174   21.125   47.893   4.6649   43.434  140.708   56.702  123.325   52.216 17.38364 77.08214 
1 1 1  -10   18    3 o  461.151   73.810  496.907  129.813  566.227  190.148  436.396  177.656  493.673  102.072  428.629  106.643 65.04434 147.6193 
1 1 1  -10   18    4 o  290.614   58.256  183.006   69.659  241.050  105.962  138.828   92.443  327.799   82.807  253.428   81.963 74.37115 116.5116 
1 1 1  -10   18    5 o  326.820   64.796  245.483   85.814  248.127  126.100  243.202  117.115  327.601   93.835  326.039   89.381 1.561432 129.5916 
1 1 1  -10   18    6 o  172.372   47.563   34.165   44.893   77.399   76.878   11.795   55.301  203.180   74.324  141.564   59.372 61.61588 95.12654 
1 1 1  -10   18    7 o  396.830  107.082  385.240  169.665  385.240  169.665   0.0000   0.0000  396.830  107.082  ?   ?       ?      ? 
1 1 1  -10   18    8 o  253.755   59.536  140.412   69.889  106.015   97.852  176.232   99.855  229.443   83.863  278.066   84.528 -48.62271 119.0714 
1 1 1  -10   18    9 o  631.236   60.295  836.623  148.527  836.623  148.527   0.0000   0.0000  631.236   60.295  ?   ?       ?      ? 
1 1 1  -10   18   10 o  383.593   59.279  349.872   87.142  404.674  114.160  273.359  134.893  433.672   67.456  333.514   97.496 100.1574 118.5571 
1 1 1  -10   18   11 o  377.536   64.256  323.337   90.088  268.916  110.667  430.243  155.108  337.086   84.337  417.987   96.968 -80.90060 128.5126 
1 1 1  -10   18   12 o  287.028   60.410  180.449   76.307  307.231  120.857   96.404   98.401  355.909   87.606  218.147   83.203 137.7621 120.8207 
1 1 1  -10   18   13 f  345.018   63.292  306.819   88.514  368.868  117.471  225.317  134.632  395.938   78.799  294.099   99.067 101.8390 126.5839 
1 1 1  -10   18   14 o  481.640   68.539  618.884  105.230  641.790  119.906  542.112  219.517  546.222   56.252  417.057  125.005 129.1647 137.0783 
1 1 1  -10   18   15 o  229.432   59.156  125.909   70.600  153.618   91.574   85.307  110.852  249.072   81.640  209.792   85.632 39.28038 118.3127 
1 1 1  -10   18   16 o  229.041   53.697  114.862   70.159  220.481   91.479 -36.0033  109.331  298.155   77.799  159.927   74.031 138.2278 107.3935 
1 1 1  -10   18   17 o  177.687   55.025   25.164   70.380   6.4114   88.666   57.103  115.714  159.961   71.039  195.413   84.052 -35.45149 110.0510 
1 1 1  -10   18   18 o  390.817   65.411  466.593   98.706  524.536  115.083  305.347  191.980  482.529   61.116  299.105  115.670 183.4238 130.8228 
1 1 1  -10   18   19 o  261.410   63.500  201.838   88.736  258.704  105.397   63.403  164.448  312.338   84.448  210.481   94.856 101.8573 127.0005 
1 1 1  -10   18   20 o  184.637   46.948   70.536   23.468   72.775   23.684 -50.5466  174.143  185.675   33.937  183.599   87.549 2.076309 93.89682 
1 1 1  -10   18   21 o  198.874   55.370   55.017   22.424   52.788   22.604  193.588  178.248  155.931   37.587  241.818  104.166 -85.88634 110.7395 
1 1 1  -10   18   22 o  216.061   32.058   96.648   27.030   96.648   27.030   0.0000   0.0000  216.061   32.058  ?   ?       ?      ? 
1 1 1  -10   18   23 o  488.507   31.493  495.732   60.037  495.732   60.037   0.0000   0.0000  488.507   31.493  ?   ?       ?      ? 
1 1 1  -10   18   24 o  159.308   54.164  -0.5511   67.285  -0.4063   71.297  -1.7298  203.441  135.559   61.636  183.057   89.083 -47.49814 108.3272 
1 1 1  -10   18   25 o  327.123   53.772  394.597   51.451  403.203   52.515  188.545  256.966  440.401   30.556  213.845  103.111 226.5557 107.5432 
1 1 1  -10   18   26 o  345.322   54.859  443.964   53.670  453.619   55.078  262.315  238.901  466.869   30.231  223.775  105.471 243.0942 109.7180 
1 1 1  -10   18   27 o  212.403   44.082  136.137   33.569  142.549   34.154 -46.3991  182.236  259.031   33.787  165.776   81.433 93.25481 88.16415 
1 1 1  -10   19    1 o  395.280   60.860  360.813   94.551  487.799  133.706  233.792  133.725  476.863   71.850  313.698   98.253 163.1653 121.7210 
1 1 1  -10   19    2 o  443.050   73.307  469.797  124.940  580.615  186.882  380.235  168.005  493.911  100.381  392.189  106.862 101.7221 146.6147 
1 1 1  -10   19    3 o  155.040   44.727   23.416   41.773   40.492   67.572   12.853   53.144  170.724   67.840  139.355   58.309 31.36914 89.45463 
1 1 1  -10   19    4 o  380.709   68.577  341.672  102.931  438.729  155.477  265.940  137.338  430.113   95.151  331.306   98.779 98.80664 137.1531 
1 1 1  -10   19    5 o  588.040  137.117  961.028  308.860  961.028  308.860   0.0000   0.0000  588.040  137.117  ?   ?       ?      ? 
1 1 1  -10   19    6 o  302.645   65.658  218.541   84.362  225.851  129.131  213.098  111.429  305.309   96.676  299.982   88.869 5.327087 131.3165 
1 1 1  -10   19    7 o  327.146   68.665  258.707   93.282  308.581  144.350  222.945  122.233  351.197  100.330  303.095   93.774 48.10254 137.3302 
1 1 1  -10   19    8 o  412.021  108.322  441.976  176.472   0.0000   0.0000  441.976  176.472  ?   ?   412.021  108.322      ?      ? 
1 1 1  -10   19    9 o  380.596   70.461  313.933  100.328  559.198  188.802  217.423  118.434  464.723  106.401  296.469   92.401 168.2541 140.9221 
1 1 1  -10   19   10 o  231.872   61.977   31.784   54.845  298.928  163.837  -1.9305   58.203  329.936  109.251  133.808   58.556 196.1274 123.9541 
1 1 1  -10   19   11 o  643.390   72.575  938.370  182.218  938.370  182.218   0.0000   0.0000  643.390   72.575  ?   ?       ?      ? 
1 1 1  -10   19   12 o  264.977   63.373  178.826   79.365  210.194  108.211  142.309  116.754  287.049   88.136  242.906   91.086 44.14259 126.7459 
1 1 1  -10   19   13 o  426.671   63.965  523.731  102.734  637.052  126.612  305.333  175.770  537.615   60.349  315.728  112.801 221.8865 127.9298 
1 1 1  -10   19   14 o  244.035   59.931  143.068   76.544  227.379  106.998   54.695  109.546  294.760   87.022  193.310   82.425 101.4507 119.8612 
1 1 1  -10   19   15 o  243.054   63.279  154.908   81.040  183.669  104.544  111.604  128.279  263.380   87.274  222.729   91.652 40.65131 126.5576 
1 1 1  -10   19   16 o  503.191   74.667  728.313  115.787  731.276  129.085  716.113  261.927  574.377   57.590  432.005  137.783 142.3719 149.3340 
1 1 1  -10   19   17 o  378.117   65.035  441.765   95.819  490.196  110.164  291.278  194.191  466.034   60.575  290.201  115.103 175.8329 130.0692 
1 1 1  -10   19   18 o  216.593   62.694  113.392   82.930  132.984   95.507   53.353  167.191  226.547   82.845  206.639   94.121 19.90866 125.3878 
1 1 1  -10   19   19 o  223.365   75.040   26.558  143.412  355.314  296.805 -73.5749  163.803  273.401  124.869  173.329   83.256 100.0713 150.0791 
1 1 1  -10   19   20 f  287.551   66.447  298.915  102.288  355.254  117.403  121.399  208.398  356.046   85.560  219.056  101.687 136.9895 132.8938 
1 1 1  -10   19   21 o  442.091   30.469  403.195   52.566  403.195   52.566   0.0000   0.0000  442.091   30.469  ?   ?       ?      ? 
1 1 1  -10   19   22 o  192.212   47.157   84.444   25.681   86.227   25.885 -27.3397  204.968  203.138   32.653  181.285   88.482 21.85382 94.31474 
1 1 1  -10   19   23 o  213.121   44.622  132.231   29.908  137.360   30.192 -136.2996  218.459  257.412   30.056  168.831   84.031 88.58119 89.24484 
1 1 1  -10   19   24 o  204.217   60.169  126.444   74.255  134.100   79.572   74.835  206.602  214.262   75.965  194.173   93.329 20.08856 120.3373 
1 1 1  -10   19   25 o  126.634   45.719   0.0223   15.189  -0.5771   15.260   63.974  157.617   69.562   30.220  183.707   86.300 -114.1450 91.43779 
1 1 1  -10   19   26 o  191.959   44.566   94.040   27.157   96.394   27.501   1.6177  172.322  213.313   33.037  170.605   82.783 42.70868 89.13145 
1 1 1  -10   20    1 o  388.098   59.276  355.909   92.509  541.045  133.809  186.403  128.037  498.205   68.825  277.990   96.528 220.2150 118.5515 
1 1 1  -10   20    2 o  188.689   49.232   59.559   49.850  108.346   74.442   19.894   67.122  221.750   73.653  155.627   65.348 66.12280 98.46368 
1 1 1  -10   20    3 o  352.898   69.109  307.669   98.875  383.870  149.482  248.398  131.835  391.463   98.059  314.333   97.410 77.12991 138.2184 
1 1 1  -10   20    4 o  260.800   85.009  160.609   99.339   0.0000   0.0000  160.609   99.339  ?   ?   260.800   85.009      ?      ? 
1 1 1  -10   20    5 o  337.135   96.908  289.296  134.279   0.0000   0.0000  289.296  134.279  ?   ?   337.135   96.908      ?      ? 
1 1 1  -10   20    6 o   64.769   31.625 -47.1482   26.256   0.0000   0.0000 -47.1482   26.256  ?   ?    64.769   31.625      ?      ? 
1 1 1  -10   20    7 o  316.956   71.516  265.429   98.620  275.081  156.767  259.107  126.869  316.788  106.900  317.124   95.027 -0.3361206 143.0311 
1 1 1  -10   20    8 o  301.276   71.505  242.135   97.801  253.634  157.093  234.858  124.976  302.501  106.792  300.051   95.118 2.450439 143.0104 
1 1 1  -10   20    9 o  251.468   67.600  147.766   87.703  198.319  150.966  122.012  107.750  272.557  103.272  230.378   87.258 42.17891 135.2005 
1 1 1  -10   20   10 o  173.372   53.147   5.3862   58.839   92.306  116.201 -24.5846   68.234  215.083   87.719  131.662   60.031 83.42110 106.2938 
1 1 1  -10   20   11 o  541.706   72.438  683.232  153.131  683.232  153.131   0.0000   0.0000  541.706   72.438  ?   ?       ?      ? 
1 1 1  -10   20   12 o  242.547   65.886  151.158   87.662  152.344  123.852  149.966  124.094  243.174   93.203  241.919   93.152 1.254883 131.7728 
1 1 1  -10   20   13 o  198.049   59.391   50.848   82.359 -15.5414  112.499  127.523  120.900  167.268   76.577  228.831   90.802 -61.56288 118.7812 
1 1 1  -10   20   14 o  341.865   69.186  350.504   98.825  379.103  118.854  286.445  177.884  387.917   81.123  295.813  112.098 92.10367 138.3719 
1 1 1  -10   20   15 o  363.977   65.910  402.152   98.208  448.840  115.796  282.513  185.364  438.762   67.629  289.192  113.150 149.5699 131.8205 
1 1 1  -10   20   16 o  221.393   61.378  124.627   80.176  156.393   96.417   53.428  144.349  242.346   83.786  200.440   89.716 41.90590 122.7564 
1 1 1  -10   20   17 o  209.846   71.295   5.1382  129.818  191.877  301.103 -37.4988  143.877  246.673  116.906  173.020   81.641 73.65263 142.5908 
1 1 1  -10   20   18 o  255.678  120.884  312.207  318.291  312.207  318.291   0.0000   0.0000  255.678  120.884  ?   ?       ?      ? 
1 1 1  -10   20   19 o  295.243   81.171  245.829   96.426  245.829   96.426   0.0000   0.0000  295.243   81.171  ?   ?       ?      ? 
1 1 1  -10   20   20 o  160.266   52.420   18.662   65.705   32.114   71.488 -54.5455  166.771  152.074   65.736  168.459   81.672 -16.38519 104.8403 
1 1 1  -10   20   21 o  219.476   73.560  135.857   74.225  135.857   74.225   0.0000   0.0000  219.476   73.560  ?   ?       ?      ? 
1 1 1  -10   20   22 o  320.162   52.027  383.535   50.093  394.055   51.069  116.132  257.470  435.935   30.019  204.390   99.629 231.5451 104.0535 
1 1 1  -10   20   23 o  278.904   51.007  256.009   41.306  260.654   42.073  132.102  217.322  353.990   30.457  203.819   97.360 150.1709 102.0131 
1 1 1  -10   20   24 o  287.827   49.097  289.483   44.447  299.523   45.731  118.219  188.874  378.499   30.961  197.154   93.185 181.3447 98.19375 
1 1 1  -10   20   25 o  184.775   53.724   97.497   58.284  105.239   62.898   50.464  155.029  193.726   67.633  175.825   83.490 17.90042 107.4470 
1 1 1  -10   21    1 o  356.261   70.441  342.772  103.171  385.246  139.991  292.274  152.640  388.140   93.527  324.382  105.358 63.75781 140.8811 
1 1 1  -10   21    2 o  167.216   46.424   8.8238   49.696  110.652   77.910 -61.0281   64.528  219.869   75.355  114.563   54.244 105.3057 92.84870 
1 1 1  -10   21    3 o  155.124   44.908 -24.1551   44.425  103.818   82.137 -77.0718   52.818  215.057   77.080   95.190   46.104 119.8671 89.81648 
1 1 1  -10   21    4 o  336.344   72.179  302.551  102.711  386.735  159.820  243.316  134.062  372.804  105.246  299.883   98.804 72.92126 144.3572 
1 1 1  -10   21    5 o  160.906   49.469   8.2110   53.731   48.791   96.894  -9.8092   64.569  186.939   78.506  134.874   60.212 52.06526 98.93762 
1 1 1  -10   21    6 o  227.784   59.598   78.407   69.013  236.734  128.195   13.797   81.893  295.159   96.587  160.409   69.847 134.7499 119.1958 
1 1 1  -10   21    7 o  166.019   52.761   2.7345   56.262   40.997  130.332  -6.0288   62.373  198.037   87.119  134.001   59.542 64.03612 105.5228 
1 1 1  -10   21    8 o  194.209   58.265   15.682   60.183  177.201  144.610 -18.1532   66.187  256.654  100.073  131.765   59.706 124.8887 116.5304 
1 1 1  -10   21    9 o  155.974   51.913 -32.8391   56.429   21.081  144.359 -42.5638   61.306  195.551   88.432  116.396   54.404 79.15534 103.8267 
1 1 1  -10   21   10 o  178.419   57.706   8.9604   78.700 -59.5071  177.770   25.650   87.769  188.975   89.638  167.862   72.699 21.11243 115.4128 
1 1 1  -10   21   11 o  293.458   68.152  247.740   96.025  326.547  132.030  159.242  139.913  342.534   95.295  244.383   97.458 98.15089 136.3049 
1 1 1  -10   21   12 o  186.319   55.699   44.851   71.799  102.031  103.968  -7.2799   99.272  211.678   84.138  160.959   73.009 50.71986 111.3983 
1 1 1  -10   21   13 o  307.288   70.221  220.188   83.210  159.319   93.957  441.523  179.167  246.338   82.761  368.238  113.466 -121.9001 140.4417 
1 1 1  -10   21   14 o  152.627   50.074 -36.2039   65.707 -65.0507   79.773   24.662  115.876  125.701   59.747  179.552   80.373 -53.85015 100.1480 
1 1 1  -10   21   15 o  245.568   78.740  179.759  147.318  243.207  323.903  163.210  165.418  254.150  120.682  236.987  101.173 17.16344 157.4805 
1 1 1  -10   21   16 o  235.620  114.292  163.522  327.736  163.522  327.736   0.0000   0.0000  235.620  114.292  ?   ?       ?      ? 
1 1 1  -10   21   17 o  307.323   84.358  271.017  104.243  271.017  104.243   0.0000   0.0000  307.323   84.358  ?   ?       ?      ? 
1 1 1  -10   21   18 o  130.402   43.476 -32.1030   54.701 -14.2133   65.007 -75.4927  101.239  126.363   57.982  134.440   64.798 -8.077324 86.95220 
1 1 1  -10   21   19 o  187.688   54.675   83.828   57.993   73.355   66.530  116.962  118.336  174.193   67.889  201.183   85.722 -26.99071 109.3492 
1 1 1  -10   21   20 o  152.641   48.398   26.121   55.887   37.645   64.228  -9.8067  113.406  149.834   63.472  155.449   73.082 -5.614960 96.79693 
1 1 1  -10   21   21 o  165.793   53.489   40.587   61.559   46.733   65.701  -3.5977  176.167  155.505   64.929  176.082   85.021 -20.57666 106.9781 
1 1 1  -10   21   22 f  236.298   56.784  190.719   67.193  206.321   72.628   98.029  177.027  278.398   67.540  194.197   91.302 84.20091 113.5681 
1 1 1  -10   21   23 o  169.236   50.774   67.904   55.881   84.999   59.992 -44.1538  153.598  179.212   65.641  159.261   77.480 19.95015 101.5475 
1 1 1  -10   22    1 o  236.621   59.234  121.149   82.627  241.010  110.565 -30.4678  124.351  302.345   88.234  170.897   79.054 131.4482 118.4683 
1 1 1  -10   22    2 o  162.744   49.417   9.9403   60.255 -57.7948   88.959   67.360   81.905  137.814   64.771  187.674   74.653 -49.85982 98.83492 
1 1 1  -10   22    3 o   98.075   34.401 -107.3933   38.546 -58.0351   73.721 -125.9639   45.219  123.848   58.439   72.301   36.314 51.54701 68.80287 
1 1 1  -10   22    4 o  346.964   65.275  313.310   96.992  504.082  148.448  171.206  128.120  441.368   89.254  252.560   95.272 188.8082 130.5492 
1 1 1  -10   22    5 o  211.607   60.272   87.952   72.729  141.305  126.353   61.517   88.940  236.622   93.164  186.593   76.494 50.02904 120.5444 
1 1 1  -10   22    6 o  157.376   50.288   0.7012   60.168 -33.2330  119.835   12.139   69.573  166.277   77.159  148.474   64.514 17.80215 100.5760 
1 1 1  -10   22    7 o  148.335   49.567 -54.4028   56.130   30.528  128.195 -74.5469   62.432  190.246   84.893  106.425   51.191 83.82119 99.13313 
1 1 1  -10   22    8 o  176.375   56.706 -28.3179   61.423  141.140  153.992 -60.3787   66.982  237.026   99.223  115.725   54.930 121.3012 113.4128 
1 1 1  -10   22    9 o  184.053   59.561 -21.4804   60.779  177.819  175.895 -48.5029   64.768  250.807  105.574  117.299   55.173 133.5081 119.1217 
1 1 1  -10   22   10 o  221.674   68.179   99.496   94.221  126.598  217.410   93.229  104.549  237.273  107.786  206.075   83.519 31.19879 136.3572 
1 1 1  -10   22   11 o  154.888   50.047 -18.3481   68.203   16.264   96.960 -52.2476   95.956  166.954   74.209  142.821   67.171 24.13351 100.0942 
1 1 1  -10   22   12 o  198.932   60.352   61.554   75.535   31.200   88.550  142.654  144.741  167.546   72.792  230.317   96.286 -62.77077 120.7047 
1 1 1  -10   22   13 o  322.662  144.053  716.942  369.617  716.942  369.617   0.0000   0.0000  322.662  144.053  ?   ?       ?      ? 
1 1 1  -10   22   14 o  208.025   78.681  112.918   87.531  112.918   87.531   0.0000   0.0000  208.025   78.681  ?   ?       ?      ? 
1 1 1  -10   22   15 o  375.542   65.907  486.726   98.950  521.948  112.858  369.668  205.745  467.127   61.911  283.957  116.369 183.1701 131.8133 
1 1 1  -10   22   16 f  211.717   58.602  133.559   72.859  156.001   86.266   77.721  136.074  231.886   79.295  191.547   86.308 40.33879 117.2038 
1 1 1  -10   22   17 o  272.176   60.332  239.352   70.730  244.175   79.699  221.467  153.474  305.957   68.462  238.394   99.361 67.56355 120.6635 
1 1 1  -10   22   18 o  222.286   58.168  150.571   63.699  150.743   71.702  149.927  138.749  232.859   71.785  211.714   91.548 21.14514 116.3360 
1 1 1  -10   22   19 o  149.015   47.825   18.090   54.205   23.080   61.824   1.5034  112.708  140.080   60.841  157.950   73.806 -17.86983 95.65024 
1 1 1  -10   22   20 o  189.593   57.187   87.011   61.786   77.480   67.569  135.644  152.635  175.343   68.395  203.843   91.670 -28.50018 114.3735 
1 1 1  -10   22   21 o  188.059   52.245  102.972   59.635  126.267   63.869 -55.4422  166.556  213.854   68.020  162.265   79.320 51.58871 104.4908 
1 1 1  -10   22   22 o  166.339   54.558   36.029   56.666   24.820   59.988  128.919  172.684  137.500   59.826  195.179   91.253 -57.67891 109.1159 
1 1 1  -10   23    1 o  289.613   73.238  255.084  103.867  256.604  129.318  252.321  174.354  298.411   96.978  280.816  109.776 17.59467 146.4766 
1 1 1  -10   23    2 f  157.117   49.783 -36.9974   71.364   63.557   92.027 -188.6803  113.027  187.686   77.475  126.547   62.537 61.13919 99.56579 
1 1 1  -10   23    3 o  192.031   54.107   41.727   71.297  154.342   98.646 -81.4471  103.166  242.861   84.705  141.201   67.347 101.6599 108.2150 
1 1 1  -10   23    4 o  291.589   68.202  248.174   92.017  282.934  125.287  207.465  135.584  316.493   94.342  266.685   98.518 49.80795 136.4048 
1 1 1  -10   23    5 o  223.477   61.179  122.657   76.480  152.346  110.781   95.621  105.714  239.249   88.919  207.706   84.052 31.54230 122.3571 
1 1 1  -10   23    6 o  172.622   55.526 -23.2185   66.029  114.845  143.617 -60.2237   74.353  222.679   94.648  122.565   58.089 100.1132 111.0521 
1 1 1  -10   23    7 o  168.598   55.767 -20.3313   72.091   36.089  161.310 -34.4128   80.587  200.764   91.833  136.432   63.297 64.33217 111.5337 
1 1 1  -10   23    8 o  237.655   71.977  115.133   99.904  304.879  214.786   62.748  112.855  282.992  117.713  192.318   82.864 90.67419 143.9540 
1 1 1  -10   23    9 o  248.251  112.947  201.438  239.894  201.438  239.894   0.0000   0.0000  248.251  112.947  ?   ?       ?      ? 
1 1 1  -10   23   10 o  183.163   90.625 -183.5015  239.901 -183.5015  239.901   0.0000   0.0000  183.163   90.625  ?   ?       ?      ? 
1 1 1  -10   23   11 o  285.518  131.182  513.551  334.221  513.551  334.221   0.0000   0.0000  285.518  131.182  ?   ?       ?      ? 
1 1 1  -10   23   12 o  133.886   45.761 -89.6477   72.660 -92.2255  103.178 -87.1114  102.341  133.595   64.641  134.177   64.791 -0.5819397 91.52181 
1 1 1  -10   23   13 o  181.337   57.395   51.323   80.346   29.204  100.538   90.417  133.658  165.845   74.507  196.828   87.325 -30.98308 114.7906 
1 1 1  -10   23   14 o  232.731   65.872  180.161   86.690  172.240  100.758  202.734  170.095  235.150   85.229  230.312  100.463 4.837494 131.7449 
1 1 1  -10   23   15 o  226.831   62.656  165.664   76.960  159.416   90.045  182.600  148.244  229.588   80.873  224.074   95.722 5.514328 125.3123 
1 1 1  -10   23   16 o  217.221   60.246  151.407   74.028  159.433   85.290  126.893  149.058  230.971   78.845  203.471   91.113 27.50058 120.4914 
1 1 1  -10   23   17 o  163.330   49.990   38.020   66.272   94.473   75.909 -142.9511  135.911  187.738   72.697  138.922   68.638 48.81631 99.98049 
1 1 1  -10   23   18 o  198.247   58.973  113.562   72.073  115.467   80.371  105.740  162.864  200.406   75.490  196.089   90.624 4.317383 117.9467 
1 1 1  -10   23   19 o  219.973   65.778  163.488   85.181  145.391   93.521  251.593  206.348  214.282   81.261  225.664  103.458 -11.38200 131.5557 
1 1 1  -10   23   20 o  109.330   53.362 -84.8407   74.541 -84.8407   74.541   0.0000   0.0000  109.330   53.362  ?   ?       ?      ? 
1 1 1  -10   24    1 o  391.762   85.797  600.711  155.781  654.647  192.842  499.404  264.290  458.947  109.248  324.577  132.323 134.3699 171.5940 
1 1 1  -10   24    2 o  203.938   62.179   72.766   99.308  148.309  117.830 -112.4835  184.517  231.935   90.361  175.941   85.439 55.99355 124.3578 
1 1 1  -10   24    3 o  246.635   93.320  178.210  123.161  178.210  123.161   0.0000   0.0000  246.635   93.320  ?   ?       ?      ? 
1 1 1  -10   24    4 o  207.588   84.611  103.887  108.032  103.887  108.032   0.0000   0.0000  207.588   84.611  ?   ?       ?      ? 
1 1 1  -10   24    5 o  166.361   74.187   20.618   97.731   20.618   97.731   0.0000   0.0000  166.361   74.187  ?   ?       ?      ? 
1 1 1  -10   24    6 o  193.452   83.594   73.343  115.528   73.343  115.528   0.0000   0.0000  193.452   83.594  ?   ?       ?      ? 
1 1 1  -10   24    7 o  181.502   57.151   44.930   80.668   59.890  124.852   34.210  105.690  189.535   84.229  173.469   77.268 16.06544 114.3019 
1 1 1  -10   24    8 o  157.798   55.265 -87.7581   80.566   17.058  204.653 -106.9812   87.643  196.631   94.079  118.964   58.019 77.66765 110.5307 
1 1 1  -10   24    9 f  278.767   83.171  356.536  147.614  480.107  282.725  310.227  173.078  280.873  125.649  276.662  109.003 4.210541 166.3412 
1 1 1  -10   24   10 o  229.543   72.988  185.290  125.450  262.645  265.245  163.001  142.381  236.329  111.311  222.757   94.441 13.57224 145.9764 
1 1 1  -10   24   11 o  201.725   67.321   63.430  101.140  287.877  258.056   22.696  109.936  237.713  111.271  165.737   75.811 71.97655 134.6421 
1 1 1  -10   24   12 o  198.214   63.770  100.849  111.982 -133.6018  276.996  146.652  122.433  182.581   91.445  213.847   88.906 -31.26538 127.5397 
1 1 1  -10   24   13 o  137.803   46.923 -83.5200   77.832 -193.9872  120.130  -3.5996  102.179  123.279   61.512  152.326   70.875 -29.04687 93.84510 
1 1 1  -10   24   14 o  172.400   55.301   33.073   84.958  105.990  114.012 -57.9679  127.396  194.638   83.567  150.161   72.454 44.47650 110.6029 
1 1 1  -10   24   15 o  185.822   59.029   80.063   89.873  106.558  106.446   14.288  167.718  194.164   81.951  177.480   84.982 16.68457 118.0589 
1 1 1  -10   24   16 o  176.965   58.295   48.418   92.313   60.140  105.834   11.132  188.754  173.857   77.390  180.074   87.203 -6.217194 116.5910 
1 1 1  -10   24   17 o  166.610   55.343   16.398   93.689   67.937  107.339 -148.4677  191.978  175.802   78.114  157.418   78.420 18.38399 110.6863 
1 1 1  -10   24   18 o  189.585   61.987   98.305   96.148   97.039  105.114  104.792  237.917  185.242   79.892  193.928   94.798 -8.685852 123.9739 
1 1 1  -10   25    1 o  283.058   75.713  316.542  116.398  319.090  138.752  310.488  213.850  305.134  100.516  260.982  113.253 44.15231 151.4256 
1 1 1  -10   25    2 o  155.373   52.175 -33.0711   82.273   0.1085   96.003 -124.8211  159.645  153.919   70.566  156.828   76.871 -2.908920 104.3494 
1 1 1  -10   25    3 o  353.972   79.268  565.369  150.765  683.474  186.497  342.607  256.129  451.693  107.379  256.250  116.632 195.4424 158.5350 
1 1 1  -10   25    4 o  155.095   51.921 -42.2136   86.313   19.290  108.158 -150.0655  143.227  165.544   75.519  144.645   71.275 20.89944 103.8425 
1 1 1  -10   25    5 o  206.645   60.129   92.269   90.437  228.023  124.160 -61.1543  131.993  258.617   94.476  154.673   74.407 103.9445 120.2585 
1 1 1  -10   25    6 o  165.835   53.992   8.5590   81.224   64.436  118.682 -40.6716  111.399  183.062   81.685  148.609   70.627 34.45274 107.9844 
1 1 1  -10   25    7 o  162.790   53.693   0.7505   82.178   34.101  127.803 -22.7579  107.301  174.969   80.658  150.611   70.895 24.35748 107.3864 
1 1 1  -10   25    8 o  160.945   53.507 -15.2009   83.284   56.374  132.776 -61.6281  106.937  181.895   83.244  139.995   67.251 41.90077 107.0146 
1 1 1  -10   25    9 o  164.076   56.200 -26.5944   94.543 -28.2505  203.909 -26.1409  106.706  179.808   87.868  148.343   70.092 31.46538 112.3994 
1 1 1  -10   25   10 o  190.860   64.620   33.904  106.698  244.783  238.071 -19.1003  119.357  226.014  106.139  155.706   73.739 70.30788 129.2395 
1 1 1  -10   25   11 o  248.840   76.744  330.227  156.586  180.130  290.946  391.432  185.788  212.751  104.175  284.930  112.720 -72.17851 153.4874 
1 1 1  -10   25   12 o  137.886   66.217 -57.4014  103.495   0.0000   0.0000 -57.4014  103.495  ?   ?   137.886   66.217      ?      ? 
1 1 1  -10   25   13 o  178.691   58.108   34.069  101.307 -123.8314  161.400  136.719  130.135  152.022   75.052  205.359   88.731 -53.33699 116.2154 
1 1 1  -10   25   14 o  243.172   72.006  265.674  118.670  316.595  159.574  202.668  177.502  266.915  104.823  219.429   98.751 47.48663 144.0126 
1 1 1  -10   25   15 o  141.115   49.755 -143.8227   99.083 -149.9902  119.144 -129.9922  178.417  127.345   63.159  154.885   76.898 -27.53996 99.51058 
1 1 1  -10   25   16 o  181.870   63.163 -15.9915  105.675 -98.2097  117.029  347.129  245.943  133.920   65.678  229.820  107.911 -95.89972 126.3263 
1 1 1  -10   26    1 o  186.115   57.301   84.323   76.858  104.610   86.939   11.751  164.434  194.556   77.064  177.674   84.821 16.88200 114.6011 
1 1 1  -10   26    2 o  269.326   69.717  288.099  101.005  303.591  119.283  248.843  189.875  302.854   92.457  235.797  104.373 67.05702 139.4348 
1 1 1  -10   26    3 o  171.040   54.597   44.262   78.036   75.995   91.267 -42.0011  150.480  179.223   75.777  162.858   78.622 16.36516 109.1950 
1 1 1  -10   26    4 o  271.688   74.768  324.527  116.940  330.898  143.481  311.921  201.818  293.550  102.169  249.826  109.190 43.72415 149.5361 
1 1 1  -10   26    5 o  163.088   53.881 -11.2632   89.766   76.974  118.966 -127.9188  136.789  184.219   82.023  141.958   69.893 42.26068 107.7629 
1 1 1  -10   26    6 o  169.324   55.572 -10.8180   91.726  127.016  133.734 -133.2634  126.047  203.062   88.814  135.587   66.822 67.47441 111.1446 
1 1 1  -10   26    7 o  159.139   53.680 -28.1932   90.191   32.647  141.475 -69.8483  117.063  175.651   82.274  142.628   68.973 33.02275 107.3603 
1 1 1  -10   26    8 o  147.697   51.305 -85.0125   93.288 -241.2267  203.591 -43.4971  104.955  153.299   77.005  142.096   67.816 11.20357 102.6099 
1 1 1  -10   26    9 o  141.202   67.631 -49.2659  106.395   0.0000   0.0000 -49.2659  106.395  ?   ?   141.202   67.631      ?      ? 
1 1 1  -10   26   10 o  113.541   56.423 -154.7477   96.915   0.0000   0.0000 -154.7477   96.915  ?   ?   113.541   56.423      ?      ? 
1 1 1  -10   26   11 o  195.073   64.255  106.739  122.146   8.7858  227.010  146.654  144.911  184.238   90.580  205.908   91.160 -21.66931 128.5106 
1 1 1  -10   26   12 o  168.868   57.662  -8.1236  115.558 -102.3821  199.387   39.552  141.802  163.992   81.398  173.744   81.695 -9.751755 115.3242 
1 1 1  -10   26   13 o  223.042   73.183  273.086  154.666  214.318  229.245  322.187  209.542  209.921  100.198  236.164  106.693 -26.24304 146.3657 
1 1 1  -10   27    1 o  185.180   62.231   36.677  121.545 -51.8312  163.464  146.121  181.771  163.851   79.762  206.508   95.545 -42.65742 124.4626 
1 1 1  -10   27    2 o  217.980   70.087  191.669  130.794  149.002  183.048  236.177  186.955  207.013   95.815  228.946  102.315 -21.93240 140.1741 
1 1 1  -10   27    3 o  186.766   61.735   68.147  112.149  108.051  158.831   28.473  158.374  196.177   90.244  177.356   84.266 18.82076 123.4696 
1 1 1  -10   27    4 o  142.556   49.734 -129.3347   98.357 -84.3050  145.911 -166.8361  133.157  151.861   74.235  133.251   66.204 18.60912 99.46797 
1 1 1  -10   27    5 o  184.172   61.907  -5.6546  117.016  233.636  188.276 -156.2635  149.368  226.290  101.784  142.053   70.499 84.23636 123.8144 
1 1 1  -10   27    6 o  183.150   61.651   27.182  113.858  182.531  189.449 -60.6554  142.455  212.290   97.982  154.009   74.854 58.28069 123.3025 
1 1 1  -10   27    7 o  159.605   53.780 -23.2529   92.209   62.417  137.311 -93.6195  124.444  179.343   83.000  139.867   68.412 39.47575 107.5598 
1 1 1  -10   27    8 o  154.223   51.768 -92.2078   87.925  125.549  130.393 -273.7768  119.066  197.393   86.977  111.054   56.166 86.33896 103.5354 
1 1 1  -10   27    9 o  172.553   57.145   44.938   96.447   33.166  144.452   54.407  129.555  171.411   81.160  173.695   80.469 -2.283615 114.2902 
1 1 1  -10   27   10 o  153.028   52.302 -26.7741   88.742 -16.7069  158.513 -31.3697  107.098  163.421   79.320  142.635   68.193 20.78552 104.6039 
1 1 1  -10   28    1 o  209.103   65.329  115.877  119.075  352.953  169.290 -116.2623  167.518  266.640  106.902  151.566   75.123 115.0738 130.6577 
1 1 1  -10   28    2 o  191.305   89.431  112.645  165.767   0.0000   0.0000  112.645  165.767  ?   ?   191.305   89.431      ?      ? 
1 1 1  -10   28    3 o  184.412   59.706   91.323   99.087  129.495  127.672   33.502  157.132  196.070   86.240  172.753   82.595 23.31723 119.4124 
1 1 1   -9    0    1 o  1192.03   28.736  2805.11  188.547  2805.11  188.547  2805.11  188.547  1192.03   40.639  1192.03   40.639 -0.000000 0.000000 
1 1 1   -9    0    2 o  846.709   22.889  1412.55  106.603  1412.55  106.603  1412.55  106.603  846.709   32.370  846.709   32.370 0.000000 0.000000 
1 1 1   -9    0    3 o  552.430   18.777  601.845   56.944  601.845   56.944  601.845   56.944  552.430   26.554  552.430   26.554 0.000000 0.000000 
1 1 1   -9    0    4 f  640.443   19.901  808.592   70.031  808.592   70.031  808.592   70.031  640.443   28.144  640.443   28.144 -0.000000 0.000000 
1 1 1   -9    0    5 o  1309.42   44.535  3453.19  320.134  3453.19  320.134  3453.19  320.134  1309.42   62.982  1309.42   62.982 0.000000 0.000000 
1 1 1   -9    0    6 o  308.520   16.710  189.706   28.067  189.706   28.067  189.706   28.067  308.520   23.631  308.520   23.631 -0.000000 0.000000 
1 1 1   -9    0    7 o  1038.43   26.191  2135.41  149.665  2135.41  149.665  2135.41  149.665  1038.43   37.040  1038.43   37.040 -0.000000 0.000000 
1 1 1   -9    0    8 o  343.521   16.965  234.757   31.802  234.757   31.802  234.757   31.802  343.521   23.992  343.521   23.992 0.000000 0.000000 
1 1 1   -9    0    9 o  504.248   18.322  503.064   50.680  503.064   50.680  503.064   50.680  504.248   25.911  504.248   25.911 0.000000 0.000000 
1 1 1   -9    0   10 o  351.130   16.939  245.101   32.474  245.101   32.474  245.101   32.474  351.130   23.955  351.130   23.955 0.000000 0.000000 
1 1 1   -9    0   11 o  1042.69   26.276  2152.29  150.770  2152.29  150.770  2152.29  150.770  1042.69   37.160  1042.69   37.160 0.000000 0.000000 
1 1 1   -9    0   12 o  862.091   23.218  1467.06  110.099  1467.06  110.099  1467.06  110.099  862.091   32.835  862.091   32.835 0.000000 0.000000 
1 1 1   -9    0   13 o  315.981   25.008  203.433   42.210  203.433   42.210  203.433   42.210  315.981   35.367  315.981   35.367 -0.000000 0.000000 
1 1 1   -9    0   14 o  1042.22   26.243  2143.81  150.511  2143.81  150.511  2143.81  150.511  1042.22   37.113  1042.22   37.113 -0.000000 0.000000 
1 1 1   -9    0   15 o  726.844   21.209  1040.89   84.747  1040.89   84.747  1040.89   84.747  726.844   29.994  726.844   29.994 -0.000000 0.000000 
1 1 1   -9    0   16 o  230.663   17.970  107.860   22.168  107.860   22.168  107.860   22.168  230.663   25.414  230.663   25.414 -0.000000 0.000000 
1 1 1   -9    0   17 o  495.264   18.845  484.432   51.168  484.432   51.168  484.432   51.168  495.264   26.651  495.264   26.651 -0.000000 0.000000 
1 1 1   -9    0   18 o  620.595   28.261  766.942   95.872  766.942   95.872  766.942   95.872  620.595   39.967  620.595   39.967 -0.000000 0.000000 
1 1 1   -9    0   19 o  649.676   20.451  832.262   72.994  832.262   72.994  832.262   72.994  649.676   28.922  649.676   28.922 -0.000000 0.000000 
1 1 1   -9    0   20 o  923.763   24.458  1683.77  124.290  1683.77  124.290  1683.77  124.290  923.763   34.588  923.763   34.588 0.000000 0.000000 
1 1 1   -9    0   21 o  1338.12   31.903  3549.84  234.992  3549.84  234.992  3549.84  234.992  1338.12   45.118  1338.12   45.118 0.000000 0.000000 
1 1 1   -9    0   22 o  185.495   24.402   74.133   22.442   74.133   22.442   74.133   22.442  185.495   34.509  185.495   34.509 -0.000000 0.000000 
1 1 1   -9    0   23 o  167.383   26.191   62.469   21.156   62.469   21.156   62.469   21.156  167.383   37.039  167.383   37.039 0.000000 0.000000 
1 1 1   -9    0   24 o  780.600   32.705  1222.95  139.760  1222.95  139.760  1222.95  139.760  780.600   46.252  780.600   46.252 0.000000 0.000000 
1 1 1   -9    0   25 o  1387.70   32.995  3855.70  252.046  3855.70  252.046  3855.70  252.046  1387.70   46.663  1387.70   46.663 0.000000 0.000000 
1 1 1   -9    0   26 o   51.861   22.728   3.7997   12.954   3.7997   12.954   3.7997   12.954   51.861   32.142   51.861   32.142 0.000000 0.000000 
1 1 1   -9    0   27 o  243.625   20.673  122.162   26.736  122.162   26.736  122.162   26.736  243.625   29.236  243.625   29.236 0.000000 0.000000 
1 1 1   -9    0   28 o  282.362   20.594  162.783   31.310  162.783   31.310  162.783   31.310  282.362   29.125  282.362   29.125 0.000000 0.000000 
1 1 1   -9    0   29 o  216.610   29.475  103.651   31.468  103.651   31.468  103.651   31.468  216.610   41.685  216.610   41.685 -0.000000 0.000000 
1 1 1   -9    0   30 o  457.840   19.799  420.410   49.598  420.410   49.598  420.410   49.598  457.840   28.000  457.840   28.000 0.000000 0.000000 
1 1 1   -9    0   31 o  571.322   20.859  655.476   65.369  655.476   65.369  655.476   65.369  571.322   29.499  571.322   29.499 0.000000 0.000000 
1 1 1   -9    0   32 o  101.170   33.250   30.769   20.594   30.769   20.594   30.769   20.594  101.170   47.022  101.170   47.022 -0.000000 0.000000 
1 1 1   -9    0   33 o  131.170   35.435   48.092   24.188   48.092   24.188   48.092   24.188  131.170   50.113  131.170   50.113 0.000000 0.000000 
1 1 1   -9    0   34 o  210.667   27.590   98.710   28.841   98.710   28.841   98.710   28.841  210.667   39.018  210.667   39.018 -0.000000 0.000000 
1 1 1   -9    0   35 o  425.947   38.947  407.258   87.337  407.258   87.337  407.258   87.337  425.947   55.080  425.947   55.080 -0.000000 0.000000 
1 1 1   -9    1    1 o  986.246   25.160  1921.70   96.805  1957.88  139.003  1887.62  134.896  995.182   35.792  977.311   35.370 17.87085 50.32024 
1 1 1   -9    1    2 o  577.067   18.938  654.667   42.647  656.972   60.341  652.367   60.282  578.087   26.748  576.046   26.816 2.040771 37.87557 
1 1 1   -9    1    3 o  883.446   23.461  1541.09   80.870  1562.63  115.679  1520.50  113.099  889.435   33.328  877.458   33.029 11.97681 46.92221 
1 1 1   -9    1    4 o  721.026   20.948  1024.63   58.934  1040.85   84.183  1009.05   82.532  726.602   29.689  715.449   29.560 11.15320 41.89577 
1 1 1   -9    1    5 o  545.643   26.402  586.487   55.980  654.866   83.765  531.297   75.253  574.129   37.387  517.157   37.288 56.97180 52.80337 
1 1 1   -9    1    6 o  114.275   18.498   26.761   8.0974   22.816   11.371   30.821   11.534  105.598   27.369  122.952   24.892 -17.35353 36.99535 
1 1 1   -9    1    7 o  381.819   16.892  286.878   25.151  302.761   36.100  271.896   35.061  392.124   23.591  371.513   24.183 20.61075 33.78422 
1 1 1   -9    1    8 f  624.653   19.718  771.916   48.066  771.132   67.779  772.708   68.172  624.354   27.819  624.951   27.953 -0.5964966 39.43670 
1 1 1   -9    1    9 f  891.381   23.775  1582.49   82.703  1586.69  117.141  1578.32  116.779  892.556   33.631  890.207   33.616 2.349243 47.55083 
1 1 1   -9    1   10 o  511.368   18.275  516.136   36.466  524.150   51.872  508.306   51.274  515.304   25.795  507.433   25.893 7.870361 36.54945 
1 1 1   -9    1   11 o  560.447   18.849  619.482   41.220  608.023   57.754  631.380   58.848  555.166   26.658  565.729   26.656 -10.56317 37.69846 
1 1 1   -9    1   12 o  699.046   25.479  979.874   66.149  937.765  110.870  1003.15   82.427  685.308   41.457  712.784   29.633 -27.47516 50.95871 
1 1 1   -9    1   13 o  548.071   26.644  596.158   56.980  589.232   79.866  603.337   81.318  544.859   37.562  551.282   37.799 -6.423401 53.28859 
1 1 1   -9    1   14 o  629.513   19.753  779.946   48.525  786.307   68.934  773.698   68.319  632.055   27.948  626.971   27.923 5.083008 39.50658 
1 1 1   -9    1   15 o  523.650   18.492  538.782   37.785  546.258   53.761  531.484   53.117  527.242   26.129  520.058   26.173 7.184326 36.98328 
1 1 1   -9    1   16 o  455.580   17.860  407.563   31.753  407.954   44.895  407.172   44.915  455.800   25.240  455.359   25.276 0.4408875 35.72022 
1 1 1   -9    1   17 o  806.136   44.924  1293.71  141.326  1293.71  141.326   0.0000   0.0000  806.136   44.924  ?   ?       ?      ? 
1 1 1   -9    1   18 o  1027.84   32.060  2108.84  121.602  2095.54  208.533  2115.69  149.687  1021.80   52.297  1033.87   37.101 -12.07336 64.12067 
1 1 1   -9    1   19 o  801.303   22.380  1266.69   69.975  1282.85   99.790  1251.05   98.148  806.314   31.714  796.292   31.585 10.02209 44.75915 
1 1 1   -9    1   20 o  957.721   25.002  1816.32   93.442  1814.73  132.147  1817.90  132.147  957.297   35.374  958.144   35.342 -0.8473511 50.00372 
1 1 1   -9    1   21 o  653.661   20.538  842.430   52.388  853.157   74.427  831.897   73.753  657.797   28.994  649.525   29.097 8.271423 41.07666 
1 1 1   -9    1   22 o  348.087   18.495  238.677   25.082  256.097   35.666  221.634   35.279  360.755   25.335  335.419   26.952 25.33624 36.98995 
1 1 1   -9    1   23 o  383.490   18.457  289.221   27.586  270.175   38.118  310.167   39.973  370.220   26.384  396.760   25.817 -26.54065 36.91406 
1 1 1   -9    1   24 o  490.953   29.277  484.911   55.931  528.094   79.340  442.251   78.859  513.311   39.608  468.594   43.124 44.71738 58.55338 
1 1 1   -9    1   25 o  830.195   23.400  1374.92   75.769  1346.14  105.060  1406.12  109.378  821.325   32.778  839.066   33.404 -17.74072 46.80034 
1 1 1   -9    1   26 o  263.162   19.768  138.416   20.147  158.405   28.590  118.697   28.396  282.477   25.935  243.847   29.841 38.63040 39.53634 
1 1 1   -9    1   27 o  649.256   25.426  869.308   61.846  909.841   78.524  803.085  100.370  673.441   29.879  625.070   41.147 48.37073 50.85162 
1 1 1   -9    1   28 o  248.221   20.321  123.982   19.650  132.551   27.851  115.489   27.729  257.011   27.769  239.430   29.677 17.58098 40.64294 
1 1 1   -9    1   29 o  326.743   25.106  219.046   31.992  214.310   45.702  223.595   44.797  322.935   36.265  330.550   34.728 -7.614990 50.21192 
1 1 1   -9    1   30 o  286.838   20.028  165.902   22.337  147.529   30.981  185.793   32.235  269.944   29.409  303.733   27.196 -33.78891 40.05663 
1 1 1   -9    1   31 o  497.028   20.277  501.705   39.322  513.106   55.642  490.331   55.577  502.887   28.353  491.168   28.996 11.71887 40.55404 
1 1 1   -9    1   32 o  247.421   22.392  126.378   21.497  109.535   29.787  144.687   31.056  229.522   33.256  265.320   29.995 -35.79865 44.78479 
1 1 1   -9    1   33 o  331.565   21.341  227.477   27.576  212.250   38.561  243.415   39.451  319.752   30.903  343.378   29.441 -23.62582 42.68222 
1 1 1   -9    1   34 o  156.566   29.097   55.267   17.978   56.930   26.362   53.821   24.582  158.437   41.969  154.695   40.312 3.741928 58.19299 
1 1 1   -9    1   35 o  183.516   49.082   87.595   47.895   69.491   63.169  112.076   73.457  168.500   66.019  198.531   72.647 -30.03078 98.16328 
1 1 1   -9    2    1 o  721.596   20.939  1020.77   58.810  1093.76   87.088  959.578   79.737  745.122   29.950  698.070   29.270 47.05176 41.87791 
1 1 1   -9    2    2 o  430.127   17.280  363.368   29.004  367.123   41.153  359.661   40.885  432.341   24.392  427.914   24.484 4.427094 34.56034 
1 1 1   -9    2    3 o  1374.30   32.439  3773.27  173.925  3836.70  249.434  3713.25  242.641  1385.34   46.139  1363.25   45.610 22.09802 64.87707 
1 1 1   -9    2    4 o  372.747   16.767  273.003   24.388  269.667   34.405  276.371   34.575  370.450   23.799  375.046   23.624 -4.595917 33.53308 
1 1 1   -9    2    5 o  349.867   23.524  241.498   32.039  266.230   46.893  219.845   43.876  366.677   32.772  333.057   33.758 33.61945 47.04882 
1 1 1   -9    2    6 o  401.099   17.120  316.728   26.796  321.771   38.038  311.760   37.754  404.284   24.110  397.915   24.313 6.368652 34.24069 
1 1 1   -9    2    7 o  433.517   17.443  370.480   29.509  374.549   41.849  366.455   41.617  435.897   24.602  431.137   24.736 4.759521 34.88699 
1 1 1   -9    2    8 o  767.718   21.787  1169.49   65.263  1188.54   93.322  1151.25   91.302  773.796   30.905  761.639   30.719 12.15710 43.57445 
1 1 1   -9    2    9 o  704.122   20.841  982.086   57.245  1008.37   82.272  957.418   79.704  713.216   29.560  695.028   29.386 18.18829 41.68120 
1 1 1   -9    2   10 o  487.080   18.023  467.958   34.254  476.836   48.797  459.334   48.095  491.645   25.434  482.516   25.542 9.129822 36.04534 
1 1 1   -9    2   11 o  821.893   22.654  1338.31   72.659  1348.22  103.070  1328.51  102.443  824.926   32.017  818.859   32.058 6.067871 45.30832 
1 1 1   -9    2   12 o  320.733   23.541  201.384   29.249  171.230   39.278  238.921   43.823  293.950   34.241  347.517   32.314 -53.56693 47.08104 
1 1 1   -9    2   13 o  526.375   18.510  545.074   38.020  546.389   53.575  543.740   53.963  527.036   26.049  525.715   26.303 1.320435 37.01925 
1 1 1   -9    2   14 o  892.785   23.691  1574.42   82.537  1566.61  116.168  1582.38  117.290  890.575   33.426  894.995   33.582 -4.420837 47.38213 
1 1 1   -9    2   15 f  353.956   17.076  245.609   23.526  270.999   33.913  222.058   32.663  371.632   23.384  336.280   24.890 35.35193 34.15142 
1 1 1   -9    2   16 o  595.057   19.409  695.794   45.061  714.241   64.499  678.206   62.980  602.763   27.420  587.352   27.477 15.41107 38.81848 
1 1 1   -9    2   17 o  951.600   35.187  1807.95  130.512  1871.27  190.268  1751.69  179.358  967.000   50.420  936.200   49.093 30.80011 70.37306 
1 1 1   -9    2   18 o  633.910   20.045  790.455   49.579  810.451   70.832  771.247   69.419  641.779   28.282  626.040   28.415 15.73950 40.09088 
1 1 1   -9    2   19 o  439.863   18.247  379.817   31.297  366.957   43.215  394.000   45.384  432.067   25.630  447.660   25.979 -15.59244 36.49428 
1 1 1   -9    2   20 o  663.331   20.590  866.820   53.282  849.995   74.227  884.706   76.530  656.729   28.963  669.933   29.273 -13.20349 41.17993 
1 1 1   -9    2   21 o  467.908   18.782  429.677   34.229  469.004   49.834  394.555   47.095  488.177   26.159  447.639   26.960 40.53851 37.56489 
1 1 1   -9    2   22 o  448.006   18.723  394.379   32.666  431.796   47.347  360.388   45.127  468.327   25.907  427.684   27.039 40.64325 37.44646 
1 1 1   -9    2   23 o  292.524   28.522  181.077   27.121  189.858   31.713  157.172   52.326  310.352   26.185  274.697   50.680 35.65424 57.04438 
1 1 1   -9    2   24 o  551.576   29.198  589.089   61.645  494.619   78.512  740.942   99.541  496.328   40.535  606.825   42.034 -110.4979 58.39535 
1 1 1   -9    2   25 o  574.275   19.976  654.364   44.754  677.476   63.841  632.030   62.757  584.330   27.997  564.220   28.502 20.10968 39.95252 
1 1 1   -9    2   26 o  410.286   22.583  337.396   34.717  336.866   57.678  337.697   43.474  408.509   36.181  412.063   27.036 -3.553772 45.16619 
1 1 1   -9    2   27 o  323.684   21.535  206.894   26.437  195.842   33.283  225.788   43.517  313.109   27.239  334.259   33.362 -21.14996 43.06943 
1 1 1   -9    2   28 o  114.745   25.328   26.936   12.849   19.484   18.961   33.266   17.474  103.738   37.050  125.753   34.546 -22.01572 50.65656 
1 1 1   -9    2   29 o  290.064   25.361  173.531   28.554  158.288   41.112  187.736   39.688  276.793   38.061  303.336   33.528 -26.54376 50.72245 
1 1 1   -9    2   30 o  677.804   21.909  934.059   57.935  930.699   80.976  937.583   82.924  676.842   30.658  678.767   31.306 -1.924438 43.81746 
1 1 1   -9    2   31 o  511.303   20.715  532.137   41.299  533.968   57.336  530.162   59.538  512.671   28.659  509.935   29.919 2.736908 41.43036 
1 1 1   -9    2   32 o  169.144   25.268   60.428   16.507   78.353   24.527   45.586   22.318  194.383   32.333  143.905   38.839 50.47780 50.53618 
1 1 1   -9    2   33 o  151.887   28.560   51.903   17.195   49.100   25.826   54.135   23.046  147.518   42.528  156.256   38.131 -8.738235 57.11926 
1 1 1   -9    2   34 o  390.218   21.434  315.130   32.583  296.876   44.548  336.132   47.782  378.206   30.183  402.229   30.441 -24.02261 42.86808 
1 1 1   -9    2   35 o  210.684   50.568  122.142   47.588  112.443   57.889  142.356   83.574  205.069   64.708  216.300   77.728 -11.23090 101.1370 
1 1 1   -9    3    1 o  371.686   16.773  271.178   24.317  283.128   34.777  259.746   34.014  379.719   23.469  363.653   23.969 16.06631 33.54538 
1 1 1   -9    3    2 o  358.981   16.689  252.817   23.353  270.123   33.609  236.661   32.473  370.883   23.221  347.078   23.975 23.80450 33.37728 
1 1 1   -9    3    3 o  691.416   20.603  941.038   55.537  986.442   80.719  900.223   76.531  707.195   29.248  675.638   29.026 31.55719 41.20683 
1 1 1   -9    3    4 o  357.190   23.770  252.902   33.115  246.819   47.181  258.809   46.492  352.849   34.264  361.531   32.953 -8.682373 47.53913 
1 1 1   -9    3    5 o  596.937   23.635  702.142   51.774  692.988   63.103  720.997   90.563  592.662   27.284  601.213   38.600 -8.551270 47.26969 
1 1 1   -9    3    6 o  207.927   15.696   85.056   12.733   87.248   17.996   82.860   18.017  210.632   21.894  205.223   22.496 5.409271 31.39188 
1 1 1   -9    3    7 o  488.502   18.036  470.920   34.380  464.682   48.293  477.331   48.957  485.223   25.504  491.781   25.510 -6.558472 36.07222 
1 1 1   -9    3    8 o  467.267   17.715  430.279   32.264  460.891   46.545  401.966   44.763  483.320   24.678  451.215   25.422 32.10513 35.42951 
1 1 1   -9    3    9 o  341.307   16.514  229.540   21.993  232.424   31.012  226.622   31.194  343.494   23.136  339.119   23.571 4.375244 33.02826 
1 1 1   -9    3   10 o  450.769   17.658  400.475   31.061  395.947   43.689  405.103   44.169  448.191   24.979  453.346   24.966 -5.155151 35.31656 
1 1 1   -9    3   11 o  437.900   17.569  377.469   30.022  381.717   42.550  373.259   42.366  440.366   24.760  435.434   24.932 4.932739 35.13821 
1 1 1   -9    3   12 f  520.990   26.296  539.025   53.451  552.977   75.733  525.177   75.448  527.810   36.769  514.171   37.602 13.63879 52.59132 
1 1 1   -9    3   13 o  1058.01   26.517  2219.93  109.484  2223.83  154.976  2216.04  154.691  1058.94   37.503  1057.08   37.500 1.856201 53.03457 
1 1 1   -9    3   14 o  413.965   17.408  336.411   28.116  329.012   39.265  344.197   40.278  409.300   24.583  418.631   24.655 -9.330841 34.81643 
1 1 1   -9    3   15 o  999.078   25.461  1973.18   99.262  1962.47  139.572  1984.14  141.196  996.375   35.896  1001.78   36.118 -5.405701 50.92147 
1 1 1   -9    3   16 o  789.730   22.122  1228.54   68.169  1247.49   97.302  1210.27   95.533  795.697   31.336  783.763   31.235 11.93420 44.24434 
1 1 1   -9    3   17 o  739.011   30.314  1085.36   87.416  1068.59  122.826  1102.56  124.439  733.211   42.927  744.812   42.813 -11.60034 60.62759 
1 1 1   -9    3   18 o  327.103   17.778  210.674   22.586  235.605   32.091  186.203   31.795  346.444   23.737  307.763   26.473 38.68097 35.55638 
1 1 1   -9    3   19 o  559.972   19.371  617.076   42.322  616.302   59.290  617.879   60.432  559.657   27.147  560.287   27.639 -0.6300659 38.74126 
1 1 1   -9    3   20 o  704.463   21.221  978.754   58.335  996.423   82.975  961.486   82.030  710.773   29.915  698.153   30.108 12.62061 42.44286 
1 1 1   -9    3   21 o  408.654   18.635  328.888   29.700  335.316   41.561  322.179   42.457  412.811   25.799  404.497   26.897 8.314453 37.26991 
1 1 1   -9    3   22 o  1052.38   26.772  2203.02  109.946  2215.74  155.515  2190.31  155.459  1055.47   37.757  1049.28   37.966 6.183716 53.54423 
1 1 1   -9    3   23 o  426.396   25.039  337.897   36.093  316.220   41.142  410.316   75.198  400.455   26.327  452.337   42.600 -51.88232 50.07896 
1 1 1   -9    3   24 o  290.800   32.412  160.429   35.103  137.304   42.599  209.354   61.961  261.141   41.801  320.460   49.547 -59.31894 64.82446 
1 1 1   -9    3   25 o  213.175   22.047   92.700   17.588  111.063   24.828   74.204   24.918  236.683   26.881  189.668   34.953 47.01469 44.09459 
1 1 1   -9    3   26 o  482.069   28.171  463.247   52.995   0.0000   0.0000  463.247   52.995  ?   ?   482.069   28.171      ?      ? 
1 1 1   -9    3   27 o  621.565   24.928  777.142   57.128  761.797   69.927  807.938   99.064  616.331   29.074  626.798   40.500 -10.46741 49.85527 
1 1 1   -9    3   28 o  105.384   24.199   20.607   12.640   3.7854   18.836   34.391   17.050   83.031   34.725  127.737   33.712 -44.70672 48.39734 
1 1 1   -9    3   29 o  276.933   23.752  159.363   24.605  145.300   39.875  168.011   31.268  264.939   38.568  288.926   27.732 -23.98672 47.50330 
1 1 1   -9    3   30 o  265.705   20.801  142.605   21.516  129.563   29.613  157.188   31.314  252.669   30.033  278.741   28.787 -26.07269 41.60203 
1 1 1   -9    3   31 o  318.132   20.792  205.595   25.773  193.475   35.329  219.384   37.682  308.152   29.379  328.112   29.429 -19.96063 41.58360 
1 1 1   -9    3   32 o  549.355   21.381  621.594   45.786  617.911   63.219  625.658   66.401  548.302   29.546  550.408   30.914 -2.106384 42.76255 
1 1 1   -9    3   33 o  278.817   22.220  161.953   24.157  155.850   34.317  167.947   34.011  273.174   32.191  284.460   30.638 -11.28580 44.44075 
1 1 1   -9    3   34 f  207.682   26.663   93.104   21.085  106.879   31.032   81.292   28.737  224.358   35.444  191.006   39.843 33.35193 53.32671 
1 1 1   -9    3   35 o  287.396   47.263  234.309   54.107  279.959   69.184  162.415   86.823  346.457   51.171  228.336   79.476 118.1217 94.52515 
1 1 1   -9    4    1 o  272.182   18.678  150.299   18.842  162.232   23.813  130.321   30.813  287.504   21.225  256.860   30.740 30.64465 37.35574 
1 1 1   -9    4    2 o  387.643   19.007  302.630   27.569  322.246   35.073  270.915   44.597  405.044   22.189  370.243   30.866 34.80130 38.01424 
1 1 1   -9    4    3 o  650.896   27.705  826.403   69.308  951.288  110.274  744.859   89.107  690.007   40.953  611.784   37.324 78.22241 55.40953 
1 1 1   -9    4    4 o  515.199   22.267  518.106   42.102  503.715   51.139  548.381   74.173  505.498   25.924  524.900   36.211 -19.40146 44.53403 
1 1 1   -9    4    5 o  600.392   19.371  710.678   45.343  746.005   65.856  678.836   62.523  614.534   27.461  586.250   27.329 28.28351 38.74274 
1 1 1   -9    4    6 o  274.570   16.512  148.513   17.691  149.958   25.007  147.064   25.032  275.922   23.224  273.219   23.478 2.703613 33.02375 
1 1 1   -9    4    7 o  831.068   22.803  1372.31   73.923  1406.02  106.433  1340.90  102.751  840.829   32.437  821.307   32.059 19.52252 45.60592 
1 1 1   -9    4    8 o  601.084   19.437  714.361   45.583  731.002   65.265  698.513   63.691  607.909   27.511  594.259   27.465 13.64923 38.87389 
1 1 1   -9    4    9 o  876.739   23.563  1527.79   80.607  1551.67  115.174  1504.87  112.854  883.409   33.409  870.068   33.238 13.34143 47.12624 
1 1 1   -9    4   10 o  597.247   19.369  703.924   45.141  699.847   63.574  708.071   64.109  595.511   27.356  598.983   27.427 -3.471130 38.73733 
1 1 1   -9    4   11 o  660.182   28.858  865.751   74.186  935.720  109.205  805.792  101.092  684.825   40.863  635.539   40.761 49.28625 57.71693 
1 1 1   -9    4   12 o  381.142   24.460  286.497   36.301  271.288   49.363  304.407   53.568  370.237   34.166  392.047   35.013 -21.80978 48.92071 
1 1 1   -9    4   13 o  611.088   19.593  732.968   46.662  778.987   68.070  692.174   64.089  629.131   27.726  593.045   27.693 36.08569 39.18674 
1 1 1   -9    4   14 o  845.540   22.959  1410.15   75.744  1392.90  105.979  1428.16  108.296  840.298   32.319  850.781   32.618 -10.48297 45.91799 
1 1 1   -9    4   15 o  930.213   24.382  1705.81   88.415  1767.45  128.712  1650.75  121.661  945.974   34.867  914.452   34.092 31.52240 48.76441 
1 1 1   -9    4   16 o  1056.05   32.799  2187.13  124.885  2130.90  149.452  2317.25  227.346  1038.00   36.896  1074.10   54.239 -36.10022 65.59851 
1 1 1   -9    4   17 o  702.003   41.567  978.667  113.871   0.0000   0.0000  978.667  113.871  ?   ?   702.003   41.567      ?      ? 
1 1 1   -9    4   18 o  339.489   17.738  226.330   23.480  224.107   32.470  228.766   33.993  337.784   24.633  341.193   25.530 -3.409088 35.47647 
1 1 1   -9    4   19 o  392.356   18.179  301.454   27.772  284.087   37.778  321.878   40.968  380.138   25.467  404.575   25.948 -24.43716 36.35747 
1 1 1   -9    4   20 o  780.752   22.353  1203.94   68.104  1215.07   96.640  1192.95   95.991  784.349   31.573  777.154   31.651 7.195557 44.70639 
1 1 1   -9    4   21 o  325.599   18.518  209.063   23.465  226.563   33.163  191.517   33.206  339.391   25.039  311.806   27.290 27.58569 37.03633 
1 1 1   -9    4   22 o  780.028   22.471  1201.63   68.336  1261.30   99.236  1147.82   94.242  798.384   31.851  761.671   31.706 36.71362 44.94201 
1 1 1   -9    4   23 o  221.894   33.059   71.381   26.816   35.075   30.657  189.634   55.328  137.197   47.256  306.591   46.244 -169.3936 66.11861 
1 1 1   -9    4   24 o  616.369   30.833  758.257   73.165  710.842   94.824  828.020  115.018  594.167   40.896  638.572   46.156 -44.40497 61.66689 
1 1 1   -9    4   25 o  324.578   18.878  209.080   23.883  211.316   33.082  206.645   34.514  326.536   25.961  322.620   27.414 3.915649 37.75629 
1 1 1   -9    4   26 o  280.439   28.584  157.016   31.282   0.0000   0.0000  157.016   31.282  ?   ?   280.439   28.584      ?      ? 
1 1 1   -9    4   27 o  556.873   23.895  629.543   49.551  631.995   61.672  625.078   83.227  561.600   28.140  552.146   38.626 9.454041 47.78970 
1 1 1   -9    4   28 o  211.698   23.224   92.988   18.512   99.299   24.996   85.320   27.552  222.046   28.846  201.350   36.404 20.69554 46.44753 
1 1 1   -9    4   29 f  244.873   24.965  117.960   23.116  144.088   38.968  103.774   28.714  264.041   37.818  225.706   32.601 38.33514 49.93024 
1 1 1   -9    4   30 o  106.578   25.701   22.394   12.792   17.378   20.808   25.441   16.218  102.287   38.434  110.870   34.134 -8.583534 51.40299 
1 1 1   -9    4   31 f  371.615   20.272  280.566   29.338  272.028   40.010  290.496   43.148  365.858   28.024  377.373   29.299 -11.51450 40.54358 
1 1 1   -9    4   32 o  492.193   21.228  500.058   40.683  534.540   57.407  465.270   57.662  510.287   28.828  474.100   31.167 36.18723 42.45506 
1 1 1   -9    4   33 o  209.212   24.764   93.278   19.670   96.355   29.594   90.843   26.327  210.007   37.486  208.418   32.369 1.589401 49.52784 
1 1 1   -9    4   34 o  255.033   34.575  169.040   30.387  102.809   53.477  200.620   36.927  199.433   62.079  310.634   30.462 -111.2003 69.15038 
1 1 1   -9    4   35 o  183.803   44.066   78.886   30.409   75.477   32.708  100.611   82.574  179.331   46.388  188.274   74.937 -8.943069 88.13243 
1 1 1   -9    5    1 o  424.133   21.881  355.807   36.196  372.117   51.998  340.475   50.416  433.596   30.731  414.669   31.155 18.92654 43.76108 
1 1 1   -9    5    2 o  813.539   31.214  1328.78   98.749  1355.22  146.479  1306.76  133.698  820.039   45.773  807.039   42.452 13.00000 62.42865 
1 1 1   -9    5    3 o  419.874   46.955  521.425   45.770  582.054   49.880  198.334  115.146  543.730   23.508  296.017   90.921 247.7129 93.91048 
1 1 1   -9    5    4 o  223.117   19.968   95.656   16.634   89.382   20.430  107.998   28.653  212.934   24.586  233.300   31.472 -20.36670 39.93687 
1 1 1   -9    5    5 o  509.127   21.607  522.090   41.415  547.532   52.880  481.727   66.606  526.630   25.731  491.624   34.718 35.00616 43.21337 
1 1 1   -9    5    6 o  218.955   19.326   86.570   15.654   70.343   18.821  123.001   28.200  188.747   25.552  249.164   29.002 -60.41739 38.65233 
1 1 1   -9    5    7 o  257.407   16.606  130.597   16.678  131.712   23.452  129.456   23.724  258.544   23.244  256.269   23.723 2.275696 33.21218 
1 1 1   -9    5    8 o  741.632   21.455  1088.67   62.041  1130.92   90.020  1050.44   85.624  755.241   30.544  728.022   30.138 27.21869 42.90950 
1 1 1   -9    5    9 o  624.331   19.774  769.750   48.172  783.831   68.644  756.086   67.618  629.968   27.922  618.695   28.006 11.27252 39.54749 
1 1 1   -9    5   10 o  397.724   17.096  311.143   26.532  317.489   37.681  304.904   37.364  401.765   24.034  393.684   24.321 8.081238 34.19239 
1 1 1   -9    5   11 o  503.108   26.054  497.966   50.913  456.408   68.116  550.576   76.639  479.636   36.392  526.579   37.295 -46.94296 52.10855 
1 1 1   -9    5   12 o  492.740   18.258  476.863   35.083  502.935   50.507  452.557   48.767  505.772   25.590  479.707   26.051 26.06519 36.51699 
1 1 1   -9    5   13 f  970.660   25.043  1863.24   94.855  1881.22  135.004  1845.71  133.303  975.263   35.473  966.056   35.359 9.206604 50.08588 
1 1 1   -9    5   14 o  389.168   17.540  297.322   26.590  321.494   38.020  274.179   37.202  404.719   24.073  373.616   25.516 31.10275 35.07917 
1 1 1   -9    5   15 o  971.989   25.183  1864.36   95.450  1927.66  138.341  1806.85  131.865  987.619   35.895  956.359   35.333 31.26068 50.36687 
1 1 1   -9    5   16 o  817.447   45.098  1330.56  143.864   0.0000   0.0000  1330.56  143.864  ?   ?   817.447   45.098      ?      ? 
1 1 1   -9    5   17 o  510.912   18.811  512.217   37.461  495.182   51.486  531.381   54.608  501.946   26.285  519.877   26.917 -17.93170 37.62177 
1 1 1   -9    5   18 o  314.080   18.410  193.850   22.497  192.733   30.620  195.160   33.164  313.185   25.054  314.975   26.981 -1.789764 36.81968 
1 1 1   -9    5   19 o  787.052   22.558  1220.14   69.162  1173.08   94.437  1274.58  101.572  770.875   31.393  803.229   32.404 -32.35498 45.11675 
1 1 1   -9    5   20 o  840.574   23.365  1397.20   76.625  1387.83  107.021  1407.06  109.758  837.787   32.734  843.360   33.350 -5.573120 46.73055 
1 1 1   -9    5   21 o  673.761   21.111  886.997   55.168  816.549   73.230  979.447   83.890  643.320   29.170  704.203   30.527 -60.88324 42.22263 
1 1 1   -9    5   22 o  841.733   23.529  1399.53   77.067  1341.58  104.362  1469.02  114.292  822.947   32.497  860.519   34.035 -37.57202 47.05748 
1 1 1   -9    5   23 o  392.880   22.968  308.280   34.063  299.168   55.237  313.872   43.270  387.260   36.551  398.500   27.824 -11.23990 45.93641 
1 1 1   -9    5   24 o  342.273   31.316  229.998   32.059  225.751   35.297  250.015   76.634  337.695   26.784  346.851   56.617 -9.155914 62.63260 
1 1 1   -9    5   25 o  374.661   19.546  279.470   28.457  284.078   38.713  274.054   41.974  378.373   26.219  370.949   28.995 7.424042 39.09156 
1 1 1   -9    5   26 o  962.436   26.007  1880.49   97.641  1873.91  136.158  1887.46  140.097  961.189   36.300  963.683   37.253 -2.493713 52.01398 
1 1 1   -9    5   27 o  298.621   21.205  181.773   24.376  202.584   33.299  157.747   35.779  318.193   26.817  279.050   32.856 39.14276 42.41074 
1 1 1   -9    5   28 o  342.508   34.190  239.485   45.698   0.0000   0.0000  239.485   45.698  ?   ?   342.508   34.190      ?      ? 
1 1 1   -9    5   29 o  425.090   20.143  363.844   33.295  355.531   45.012  373.888   49.478  420.244   27.447  429.937   29.490 -9.692993 40.28641 
1 1 1   -9    5   30 o  356.209   20.780  259.459   28.650  283.743   39.518  232.551   41.597  374.987   27.005  337.432   31.590 37.55511 41.55952 
1 1 1   -9    5   31 o  440.245   21.084  395.637   36.025  385.964   48.267  407.804   54.131  435.129   28.425  445.361   31.146 -10.23212 42.16702 
1 1 1   -9    5   32 o  248.513   22.640  128.497   21.933  127.477   31.654  129.439   30.419  247.175   32.816  249.851   31.198 -2.675430 45.27947 
1 1 1   -9    5   33 o  238.258   26.017  122.778   23.276  100.433   32.644  145.887   33.197  212.378   40.871  264.138   32.206 -51.76007 52.03489 
1 1 1   -9    5   34 o  224.404   34.235  125.078   27.621   93.578   49.802  139.072   33.193  191.690   59.947  257.117   33.082 -65.42628 68.46935 
1 1 1   -9    5   35 o  217.049   42.265   68.389   29.739   39.785   32.056  245.032   79.661  134.416   48.156  299.682   69.471 -165.2667 84.52940 
1 1 1   -9    6    1 o  506.415   34.067  510.463   67.324   0.0000   0.0000  510.463   67.324  ?   ?   506.415   34.067      ?      ? 
1 1 1   -9    6    2 o  491.029   54.227  625.908   70.207  685.608   78.086  374.068  160.380  586.802   34.100  395.255  102.953 191.5471 108.4536 
1 1 1   -9    6    3 o  737.517   28.569  1091.81   82.190  1071.32  114.233  1113.79  118.344  730.520   40.071  744.513   40.732 -13.99329 57.13841 
1 1 1   -9    6    4 o  313.670   19.320  196.468   22.540  201.090   28.126  188.169   37.684  319.549   22.554  307.791   31.374 11.75781 38.63945 
1 1 1   -9    6    5 f  356.134   20.147  252.107   26.805  254.538   33.500  247.781   44.693  359.306   23.892  352.963   32.447 6.342194 40.29419 
1 1 1   -9    6    6 o  543.751   22.082  591.034   45.006  602.118   56.628  572.028   74.153  552.086   26.284  535.415   35.490 16.67120 44.16347 
1 1 1   -9    6    7 o  351.894   20.436  250.468   26.710  264.707   33.608  226.052   44.009  366.609   23.491  337.178   33.446 29.43015 40.87161 
1 1 1   -9    6    8 o  504.873   21.677  503.194   40.902  499.560   50.919  509.804   68.672  503.353   25.922  506.393   34.750 -3.039825 43.35376 
1 1 1   -9    6    9 o  304.535   20.261  188.286   22.712  200.743   28.379  166.096   37.877  319.589   22.755  289.480   33.529 30.10867 40.52178 
1 1 1   -9    6   10 o  734.050   30.429  1068.09   86.816  1176.79  129.966  980.507  116.662  767.367   43.401  700.733   42.662 66.63416 60.85780 
1 1 1   -9    6   11 o  775.742   22.033  1186.09   66.653  1233.22   96.489  1143.07   92.182  790.428   31.281  761.057   31.038 29.37134 44.06686 
1 1 1   -9    6   12 o  560.263   19.048  617.390   41.644  624.313   58.955  610.496   58.833  563.417   26.814  557.107   27.061 6.310242 38.09583 
1 1 1   -9    6   13 o  278.448   16.793  152.825   18.111  174.950   25.691  130.964   25.537  298.683   22.041  258.213   25.343 40.47052 33.58675 
1 1 1   -9    6   14 o  343.649   17.704  231.763   23.707  229.819   32.593  233.947   34.547  342.173   24.409  345.125   25.651 -2.952209 35.40856 
1 1 1   -9    6   15 o  645.387   24.464  813.285   57.868  796.196   70.295  849.215  101.928  636.247   28.312  654.527   39.906 -18.27997 48.92858 
1 1 1   -9    6   16 o  736.578   30.741  1068.90   88.363   0.0000   0.0000  1068.90   88.363  ?   ?   736.578   30.741      ?      ? 
1 1 1   -9    6   17 o  699.957   21.218  964.404   57.896  945.913   79.776  984.980   84.154  692.989   29.499  706.925   30.505 -13.93573 42.43518 
1 1 1   -9    6   18 o  137.866   22.280   38.646   11.871   51.285   17.361   27.545   16.270  158.928   29.063  116.804   33.778 42.12464 44.55992 
1 1 1   -9    6   19 o  653.429   20.913  840.786   53.246  821.714   72.990  862.481   77.846  645.659   28.969  661.198   30.170 -15.53979 41.82595 
1 1 1   -9    6   20 o  226.966   19.569  102.146   17.184  116.491   24.178   87.506   24.427  243.340   25.461  210.593   29.723 32.74683 39.13716 
1 1 1   -9    6   21 o  326.907   19.609  211.963   24.858  227.537   34.184  194.486   36.211  339.958   25.767  313.856   29.565 26.10272 39.21797 
1 1 1   -9    6   22 o  496.407   29.390  487.129   56.935   0.0000   0.0000  487.129   56.935  ?   ?   496.407   29.390      ?      ? 
1 1 1   -9    6   23 o  203.661   39.029   93.984   25.247   99.571   26.830   50.771   74.616  224.011   30.691  183.310   71.771 40.70056 78.05783 
1 1 1   -9    6   24 o  664.344   21.636  879.163   56.039  891.217   77.904  866.238   80.671  669.397   29.823  659.291   31.355 10.10620 43.27281 
1 1 1   -9    6   25 o  533.234   20.224  567.124   42.006  572.880   57.873  560.714   61.068  536.466   27.644  530.002   29.526 6.464478 40.44711 
1 1 1   -9    6   26 o  319.233   19.945  204.136   24.769  207.393   33.891  200.403   36.290  322.314   26.944  316.151   29.414 6.162689 39.88992 
1 1 1   -9    6   27 o  759.031   31.923  1166.47   94.556  1166.47   94.556   0.0000   0.0000  759.031   31.923  ?   ?       ?      ? 
1 1 1   -9    6   28 o  524.072   31.050  556.776   63.501   0.0000   0.0000  556.776   63.501  ?   ?   524.072   31.050      ?      ? 
1 1 1   -9    6   29 o  124.616   25.832   31.468   13.088   39.420   21.380   26.702   16.552  135.829   38.546  113.403   34.401 22.42671 51.66489 
1 1 1   -9    6   30 o  279.622   21.384  160.047   23.162  181.406   32.744  138.656   32.768  299.215   28.042  260.029   32.292 39.18604 42.76882 
1 1 1   -9    6   31 o  285.155   21.707  167.441   24.142  170.845   33.842  163.915   34.449  288.408   30.069  281.902   31.315 6.505463 43.41404 
1 1 1   -9    6   32 o  323.363   22.289  218.032   27.972  242.855   39.572  193.242   39.545  343.014   29.562  303.712   33.366 39.30206 44.57802 
1 1 1   -9    6   33 o  116.213   27.719   28.675   14.529   22.835   26.218   31.263   17.454  112.474   42.936  119.951   35.071 -7.477020 55.43898 
1 1 1   -9    6   34 o  191.713   34.312   88.257   24.048   80.657   46.267   91.071   28.149  179.416   57.981  204.009   36.707 -24.59277 68.62323 
1 1 1   -9    6   35 o  182.448   37.872   88.872   29.455  101.296   34.363   54.457   57.193  210.087   43.352  154.809   62.111 55.27856 75.74400 
1 1 1   -9    7    1 o  234.122   34.467  140.041   25.308  158.518   28.339   67.258   56.246  283.325   25.631  184.920   63.991 98.40552 68.93301 
1 1 1   -9    7    2 o  257.318   18.410  130.691   18.464  140.083   26.500  121.831   25.740  266.359   25.494  248.276   26.567 18.08316 36.82058 
1 1 1   -9    7    3 o  585.563   25.731  684.257   58.757  714.420   84.959  656.603   81.349  597.907   36.412  573.219   36.366 24.68719 51.46174 
1 1 1   -9    7    4 f  698.864   27.808  975.891   75.684  1036.10  111.457  924.371  103.099  718.593   39.746  679.135   38.901 39.45789 55.61531 
1 1 1   -9    7    5 o  306.252   22.534  186.141   26.878  202.249   38.519  170.854   37.523  319.316   30.912  293.187   32.796 26.12903 45.06829 
1 1 1   -9    7    6 o  1220.29   34.917  3043.46  161.609  3124.92  207.557  2918.04  257.546  1247.12   42.648  1193.46   55.299 53.66406 69.83415 
1 1 1   -9    7    7 o  418.576   20.521  349.969   32.095  360.087   40.325  332.483   53.012  427.721   24.159  409.430   33.179 18.29193 41.04276 
1 1 1   -9    7    8 o  526.315   21.941  548.432   43.339  550.518   54.387  544.805   71.731  528.646   26.363  523.984   35.080 4.661865 43.88199 
1 1 1   -9    7    9 f  354.756   24.355  247.967   33.571  236.029   45.035  262.897   50.363  345.352   33.416  364.159   35.440 -18.80740 48.70946 
1 1 1   -9    7   10 o  869.843   27.705  1521.77   91.367  1590.35  117.777  1418.13  144.791  896.800   33.654  842.885   44.019 53.91437 55.40996 
1 1 1   -9    7   11 o  579.500   22.768  660.847   48.925  656.522   60.354  669.137   83.555  577.763   26.768  581.237   36.837 -3.473877 45.53606 
1 1 1   -9    7   12 o  343.753   21.500  227.380   26.956  218.097   32.452  248.038   48.411  333.241   24.955  354.265   35.017 -21.02426 42.99917 
1 1 1   -9    7   13 o  648.625   25.462  835.042   59.957  841.115   72.718  822.148  105.959  653.889   28.498  643.360   42.204 10.52820 50.92414 
1 1 1   -9    7   14 o  555.687   23.072  617.942   47.839  642.062   60.178  576.528   78.856  571.563   26.980  539.810   37.433 31.75323 46.14312 
1 1 1   -9    7   15 o  496.931   35.956  488.156   69.726   0.0000   0.0000  488.156   69.726  ?   ?   496.931   35.956      ?      ? 
1 1 1   -9    7   16 o  788.896   22.377  1226.45   68.843  1205.82   95.315  1248.95   99.539  782.074   31.231  795.718   32.055 -13.64398 44.75375 
1 1 1   -9    7   17 o  744.866   21.950  1094.34   63.787  1126.90   90.556  1062.29   89.864  755.949   30.697  733.783   31.382 22.16559 43.89919 
1 1 1   -9    7   18 o  318.659   19.232  201.504   23.716  220.496   32.632  180.244   34.527  334.922   24.967  302.396   29.258 32.52512 38.46304 
1 1 1   -9    7   19 o  918.193   24.760  1669.97   88.674  1664.47  123.360  1675.86  127.553  916.837   34.479  919.548   35.545 -2.711182 49.52025 
1 1 1   -9    7   20 o  234.378   21.201  108.326   19.343  106.809   26.366  110.095   28.466  232.687   29.036  236.068   30.900 -3.381424 42.40180 
1 1 1   -9    7   21 o  799.771   23.137  1266.53   72.122  1255.73   99.372  1278.54  104.840  796.444   31.972  803.098   33.452 -6.654053 46.27414 
1 1 1   -9    7   22 o  613.839   53.120  769.097  127.246   0.0000   0.0000  769.097  127.246  ?   ?   613.839   53.120      ?      ? 
1 1 1   -9    7   23 o  600.206   30.693  659.037   56.298  620.045   61.823  848.406  136.244  559.345   28.323  641.067   54.461 -81.72260 61.38520 
1 1 1   -9    7   24 o  1005.37   26.745  2026.43  104.329  1928.74  139.020  2152.39  157.855  979.023   36.387  1031.71   39.208 -52.68732 53.49095 
1 1 1   -9    7   25 o  209.744   24.099   90.587   18.866   68.730   26.263  113.890   27.118  180.768   38.414  238.721   29.110 -57.95354 48.19773 
1 1 1   -9    7   26 o  311.235   20.827  194.681   25.221  195.886   34.448  193.288   37.029  312.636   28.235  309.835   30.625 2.801147 41.65468 
1 1 1   -9    7   27 o  465.096   22.925  438.988   40.270  438.537   50.989  439.735   65.653  467.092   27.973  463.099   36.329 3.992035 45.85061 
1 1 1   -9    7   28 o  492.030   31.904  492.188   61.258   0.0000   0.0000  492.188   61.258  ?   ?   492.030   31.904      ?      ? 
1 1 1   -9    7   29 o  212.029   23.301   91.972   19.266   96.667   27.472   87.429   27.027  217.527   32.363  206.531   33.533 10.99606 46.60295 
1 1 1   -9    7   30 o  301.255   21.741  186.191   25.434  191.393   34.647  180.113   37.455  306.623   28.956  295.888   32.438 10.73511 43.48166 
1 1 1   -9    7   31 o  401.512   27.579  350.868   41.442  311.815   66.114  376.143   53.188  377.121   44.924  425.903   32.002 -48.78152 55.15704 
1 1 1   -9    7   32 o  193.009   27.071   82.145   19.718   74.175   30.083   88.148   26.108  180.736   43.234  205.283   32.591 -24.54747 54.14148 
1 1 1   -9    7   33 o  298.265   27.025  185.490   30.373  214.688   51.231  169.664   37.717  312.969   41.947  283.561   34.085 29.40826 54.04908 
1 1 1   -9    7   34 o  156.730   38.417   60.800   28.427   69.949   31.755   23.891   63.781  172.926   46.185  140.533   61.404 32.39259 76.83376 
1 1 1   -9    8    1 o  762.800   77.543  1316.34  126.981  1305.67  133.713  1414.42  405.315  805.487   42.539  720.114  149.139 85.37390 155.0869 
1 1 1   -9    8    2 o  322.535   43.271  239.174   38.114  248.530   41.559  189.664   95.606  354.182   30.068  290.888   81.150 63.29385 86.54166 
1 1 1   -9    8    3 o  649.694   67.521  1012.32  103.698  1036.61  111.354  853.672  284.575  719.581   39.655  579.807  129.089 139.7736 135.0421 
1 1 1   -9    8    4 o  615.923   26.075  745.874   62.232  853.983   94.971  664.527   82.383  654.385   37.190  577.461   36.558 76.92334 52.14963 
1 1 1   -9    8    5 o  529.933   25.002  558.211   51.705  556.413   72.951  560.025   73.294  529.084   35.332  530.783   35.385 -1.699768 50.00464 
1 1 1   -9    8    6 o  402.328   65.497  363.886  100.913  415.931  146.465  316.852  139.235  431.666   89.868  372.991   95.305 58.67538 130.9939 
1 1 1   -9    8    7 o  381.258   23.611  289.146   34.831  333.500   49.432  245.411   49.086  410.842   30.832  351.674   35.767 59.16788 47.22204 
1 1 1   -9    8    8 f  404.296   24.627  320.211   38.628  290.992   51.373  358.218   58.593  383.390   34.337  425.201   35.312 -41.81104 49.25402 
1 1 1   -9    8    9 o  797.072   26.299  1281.54   79.979  1392.97  105.725  1132.47  122.287  839.851   32.258  754.292   41.544 85.55896 52.59777 
1 1 1   -9    8   10 f  797.545   26.544  1269.28   79.340  1293.74   99.810  1227.31  130.766  809.836   31.582  785.253   42.673 24.58307 53.08896 
1 1 1   -9    8   11 o  824.788   26.947  1357.09   83.535  1384.69  105.519  1310.74  136.726  837.852   32.273  811.724   43.163 26.12726 53.89396 
1 1 1   -9    8   12 o  845.667   27.477  1400.47   85.918  1366.85  105.243  1467.63  148.770  832.567   32.392  858.766   44.392 -26.19824 54.95393 
1 1 1   -9    8   13 o  309.335   33.121  122.149   22.853  110.551   23.610  294.443   90.997  237.260   25.500  381.409   61.137 -144.1496 66.24171 
1 1 1   -9    8   14 f  1174.46  277.057  4820.14  1249.26   0.0000   0.0000  4820.14  1249.26  ?   ?   1174.46  277.057      ?      ? 
1 1 1   -9    8   15 o  1282.85   37.163  3231.84  172.558  3114.69  206.747  3500.85  313.285  1251.72   42.325  1313.97   61.098 -62.24463 74.32582 
1 1 1   -9    8   16 o  746.766   27.090  1105.77   73.452  1105.65   88.944  1106.03  130.253  748.914   30.433  744.618   44.825 4.296265 54.18015 
1 1 1   -9    8   17 o  627.007   27.262  666.263   54.014  597.383   59.488  989.712  128.910  550.851   27.674  703.163   46.978 -152.3115 54.52339 
1 1 1   -9    8   18 o  156.931   21.436   49.810   12.751   67.758   18.534   33.678   17.571  185.605   25.589  128.256   34.397 57.34933 42.87118 
1 1 1   -9    8   19 o  935.765   25.143  1735.69   91.733  1723.93  126.905  1748.56  132.752  932.734   34.865  938.797   36.236 -6.063293 50.28522 
1 1 1   -9    8   20 o  282.120   20.250  156.183   22.185  148.880   29.679  165.430   33.397  274.790   27.677  289.449   29.567 -14.65906 40.49953 
1 1 1   -9    8   21 o  400.198   23.027  315.112   35.418  331.478   55.682  303.989   45.901  408.376   34.940  392.021   30.004 16.35522 46.05492 
1 1 1   -9    8   22 o  667.773   30.131  884.265   78.519  884.265   78.519   0.0000   0.0000  667.773   30.131  ?   ?       ?      ? 
1 1 1   -9    8   23 o  404.216   20.379  326.339   31.941  347.152   43.750  302.582   46.742  418.581   26.783  389.852   30.724 28.72897 40.75897 
1 1 1   -9    8   24 o  476.709   20.818  456.183   38.471  491.889   52.978  416.347   55.957  497.303   27.299  456.115   31.438 41.18790 41.63575 
1 1 1   -9    8   25 f  252.992   31.530  128.757   31.129   0.0000   0.0000  128.757   31.129  ?   ?   252.992   31.530      ?      ? 
1 1 1   -9    8   26 f  198.910   22.966   81.465   17.253   95.133   24.671   68.381   24.138  217.503   29.066  180.318   35.566 37.18492 45.93230 
1 1 1   -9    8   27 o  426.597   32.174  369.771   53.561   0.0000   0.0000  369.771   53.561  ?   ?   426.597   32.174      ?      ? 
1 1 1   -9    8   28 o  281.971   21.939  161.952   23.977  166.243   32.382  156.745   35.673  286.840   28.929  277.101   32.989 9.739014 43.87714 
1 1 1   -9    8   29 o  453.546   21.249  418.256   37.379  416.427   50.155  420.542   56.059  453.455   28.343  453.637   31.667 -0.1817017 42.49863 
1 1 1   -9    8   30 o  442.323   21.524  402.072   36.934  408.240   49.899  394.598   54.928  447.362   28.583  437.284   32.188 10.07895 43.04721 
1 1 1   -9    8   31 o  199.444   24.647   82.132   18.528  103.303   29.242   67.933   23.949  222.108   33.738  176.780   35.940 45.32748 49.29425 
1 1 1   -9    8   32 o  210.643   25.776   95.048   20.602   99.996   31.199   91.221   27.435  213.094   38.953  208.191   33.768 4.902573 51.55243 
1 1 1   -9    8   33 o  178.254   28.536   73.547   19.670   54.614   30.981   86.334   25.460  153.484   47.165  203.023   32.135 -49.53851 57.07146 
1 1 1   -9    8   34 o  152.632   37.444   57.400   27.788   68.114   31.697   21.821   57.761  170.135   46.441  135.128   58.749 35.00693 74.88794 
1 1 1   -9    9    1 o  635.097   63.316  955.809   99.241  986.946  107.501  776.230  258.166  703.338   39.167  566.855  120.423 136.4831 126.6318 
1 1 1   -9    9    2 o  385.452   46.378  345.280   47.519  360.984   51.963  265.063  117.439  427.133   31.175  343.771   87.360 83.36197 92.75588 
1 1 1   -9    9    3 o  616.111   63.009  917.608   95.967  956.993  104.232  698.391  245.908  693.139   38.535  539.083  119.981 154.0560 126.0176 
1 1 1   -9    9    4 o  382.293   46.087  366.429   48.265  401.429   53.688  218.951  110.207  450.741   30.522  313.846   86.975 136.8948 92.17485 
1 1 1   -9    9    5 o  210.265   67.318   90.548   62.480   90.548   62.480   0.0000   0.0000  210.265   67.318  ?   ?       ?      ? 
1 1 1   -9    9    6 o  754.136  145.770  1420.14  413.469  1420.14  413.469   0.0000   0.0000  754.136  145.770  ?   ?       ?      ? 
1 1 1   -9    9    7 o  496.512   53.659  510.706   65.214  532.158  186.258  507.709   69.620  486.637  101.371  506.387   35.231 -19.74982 107.3183 
1 1 1   -9    9    8 o  923.306   32.663  1699.75  117.533  1776.91  171.686  1631.70  161.238  942.757   46.666  903.856   45.713 38.90125 65.32540 
1 1 1   -9    9    9 o  687.427   28.790  931.898   76.770  997.532  116.438  881.426  102.106  708.260   42.128  666.594   39.252 41.66650 57.57989 
1 1 1   -9    9   10 o  966.763   29.710  1847.78  106.772  1826.88  131.970  1887.38  181.672  961.484   35.172  972.042   47.893 -10.55786 59.42083 
1 1 1   -9    9   11 o  471.547   22.641  449.421   39.358  475.679   49.133  402.395   65.752  492.129   25.584  450.964   37.362 41.16440 45.28215 
1 1 1   -9    9   12 o  850.455  157.577  1781.32  503.709   0.0000   0.0000  1781.32  503.709  ?   ?   850.455  157.577      ?      ? 
1 1 1   -9    9   13 o  524.060  107.815  614.511  213.135   0.0000   0.0000  614.511  213.135  ?   ?   524.060  107.815      ?      ? 
1 1 1   -9    9   14 o  337.842   24.960  223.057   31.749  216.190   39.689  235.258   52.908  331.233   30.705  344.451   39.361 -13.21732 49.92068 
1 1 1   -9    9   15 o  513.863   24.441  519.925   44.340  517.097   52.479  526.982   82.890  512.852   26.222  514.875   41.254 -2.023438 48.88252 
1 1 1   -9    9   16 o  1283.81   37.885  3109.35  167.207  2890.31  192.174  3791.84  339.222  1205.45   40.852  1362.17   63.815 -156.7183 75.77090 
1 1 1   -9    9   17 o  624.717   25.891  691.847   54.522  621.302   61.669  944.401  116.683  561.589   28.139  687.846   43.470 -126.2568 51.78247 
1 1 1   -9    9   18 o  505.824   27.544  502.834   45.929  497.662   52.351  520.121   95.708  502.770   26.682  508.877   48.195 -6.106812 55.08828 
1 1 1   -9    9   19 o  664.705   28.528  844.555   63.904  810.635   73.091  954.619  131.662  640.910   29.224  688.501   49.003 -47.59052 57.05544 
1 1 1   -9    9   20 o  323.500   41.729  239.718   41.583  257.292   47.343  180.387   86.987  360.147   33.685  286.853   76.357 73.29364 83.45725 
1 1 1   -9    9   21 o  412.107   43.961  360.557   42.134  361.643   44.732  352.013  125.445  427.940   26.786  396.273   83.742 31.66687 87.92127 
1 1 1   -9    9   22 o  363.726   47.430  271.994   37.656  269.040   39.420  302.796  127.293  368.558   27.408  358.894   90.814 9.664063 94.86021 
1 1 1   -9    9   23 o  540.656   32.879  585.173   69.370   0.0000   0.0000  585.173   69.370  ?   ?   540.656   32.879      ?      ? 
1 1 1   -9    9   24 o  197.845   23.825   80.056   17.845   67.368   24.778   93.728   25.721  179.394   36.633  216.297   30.472 -36.90276 47.65037 
1 1 1   -9    9   25 o  128.955   33.787   34.924   17.207   0.0000   0.0000   34.924   17.207  ?   ?   128.955   33.787      ?      ? 
1 1 1   -9    9   26 o  199.217   34.179   88.601   23.452   77.066   50.220   91.818   26.522  185.635   60.439  212.799   31.937 -27.16417 68.35866 
1 1 1   -9    9   27 o  118.185   23.142   24.566   11.174   47.168   19.336   13.234   13.691  149.235   33.965   87.134   31.442 62.10120 46.28398 
1 1 1   -9    9   28 o  258.657   22.866  136.784   23.035  140.483   31.908  132.757   33.290  262.738   31.121  254.577   33.509 8.161118 45.73123 
1 1 1   -9    9   29 o  517.551   34.545  554.187   69.771   0.0000   0.0000  554.187   69.771  ?   ?   517.551   34.545      ?      ? 
1 1 1   -9    9   30 o  236.783   23.790  117.004   21.912  106.879   30.994  127.121   30.981  225.827   35.170  247.740   32.046 -21.91304 47.57987 
1 1 1   -9    9   31 o  282.499   24.005  167.462   26.390  151.460   36.624  184.742   38.059  267.821   35.042  297.177   32.818 -29.35590 48.01019 
1 1 1   -9    9   32 o  397.124   31.389  328.842   48.644   0.0000   0.0000  328.842   48.644  ?   ?   397.124   31.389      ?      ? 
1 1 1   -9    9   33 o  139.881   40.695   31.882   26.244   29.912   27.987   46.235   75.544  121.663   44.792  158.100   67.955 -36.43716 81.38963 
1 1 1   -9    9   34 o  160.113   29.295   54.344   17.495   74.486   31.317   45.208   21.093  178.354   44.998  141.872   37.522 36.48193 58.58901 
1 1 1   -9   10    1 o  361.455   62.177  289.380   86.950  267.283  121.693  312.427  124.280  346.625   89.386  376.285   86.452 -29.66046 124.3542 
1 1 1   -9   10    2 o  544.399   56.902  634.553   74.932  635.889   80.064  625.124  212.706  566.242   36.233  522.557  107.882 43.68518 113.8043 
1 1 1   -9   10    3 o  543.065   35.386  584.287   74.992  584.287   74.992   0.0000   0.0000  543.065   35.386  ?   ?       ?      ? 
1 1 1   -9   10    4 o  566.397   36.212  635.774   80.039  635.774   80.039   0.0000   0.0000  566.397   36.212  ?   ?       ?      ? 
1 1 1   -9   10    5 o  726.041   97.660  1274.62  266.574  1303.94  379.631  1246.11  374.409  735.216  137.368  716.865  138.853 18.35071 195.3205 
1 1 1   -9   10    6 o  309.819   43.052  207.934   37.960  212.816   41.552  183.304   93.334  328.324   32.431  291.313   79.763 37.01065 86.10416 
1 1 1   -9   10    7 o  537.064   56.568  621.323   74.203  625.940   79.475  589.941  207.186  562.402   36.212  511.725  107.185 50.67676 113.1364 
1 1 1   -9   10    8 o  478.143   51.973  455.640   62.041  448.256   66.259  508.162  176.712  476.146   35.659  480.140   97.637 -3.994263 103.9452 
1 1 1   -9   10    9 o  328.668   22.152  214.305   27.926  264.205   40.031  166.999   38.977  366.520   27.988  290.816   34.345 75.70453 44.30432 
1 1 1   -9   10   10 o  471.757   25.906  439.886   47.575  437.454   64.960  442.699   69.869  470.562   35.375  472.951   37.856 -2.389130 51.81205 
1 1 1   -9   10   11 o  687.180  128.909  1093.60  332.992   0.0000   0.0000  1093.60  332.992  ?   ?   687.180  128.909      ?      ? 
1 1 1   -9   10   12 o  833.537   27.724  1337.34   83.683  1274.78  100.018  1483.33  152.791  804.151   31.872  862.924   45.373 -58.77362 55.44805 
1 1 1   -9   10   13 o  569.884   24.130  643.468   50.126  647.195   60.987  635.708   88.003  573.688   27.241  566.080   39.837 7.608215 48.26071 
1 1 1   -9   10   14 o  871.210   28.669  1498.06   91.690  1478.94  111.808  1537.31  160.223  865.373   33.108  877.046   46.814 -11.67261 57.33822 
1 1 1   -9   10   15 o  189.602   32.090   71.848   18.555   71.819   20.190   72.009   47.069  191.041   27.082  188.163   58.187 2.877930 64.18085 
1 1 1   -9   10   16 o  176.709   34.754   55.036   18.073   52.280   19.246   75.595   52.570  159.951   31.952  193.467   61.729 -33.51611 69.50851 
1 1 1   -9   10   17 o  803.571   29.096  1283.69   84.047  1278.82  100.876  1294.75  151.982  804.355   32.137  802.787   48.513 1.567871 58.19206 
1 1 1   -9   10   18 o  554.064   27.838  565.215   49.854  532.127   55.777  696.651  111.168  519.635   27.506  588.492   48.407 -68.85736 55.67574 
1 1 1   -9   10   19 o  377.016   59.774  291.537   87.944   0.0000   0.0000  291.537   87.944  ?   ?   377.016   59.774      ?      ? 
1 1 1   -9   10   20 o  432.519   34.469  251.507   34.700  226.686   36.005  575.352  130.053  338.822   27.231  526.216   63.332 -187.3936 68.93832 
1 1 1   -9   10   21 o  172.193   37.470   67.232   21.818   73.906   22.519 -34.9538   88.116  192.985   29.902  151.402   68.717 41.58376 74.94061 
1 1 1   -9   10   22 o  307.077   50.223  199.502   32.957  198.399   34.102  215.107  128.278  316.146   27.641  298.008   96.569 18.13846 100.4468 
1 1 1   -9   10   23 o  275.730   43.323  219.043   33.887  237.691   35.990   73.322  100.605  345.711   26.677  205.749   82.438 139.9624 86.64690 
1 1 1   -9   10   24 o  274.301   54.859  169.732   32.397  170.186   32.995  157.555  170.943  291.421   29.014  257.181  105.812 34.23944 109.7176 
1 1 1   -9   10   25 o  252.575   92.880  165.960  120.286   0.0000   0.0000  165.960  120.286  ?   ?   252.575   92.880      ?      ? 
1 1 1   -9   10   26 o  276.092   53.311  192.844   53.562  199.239   59.132  163.613  126.421  304.779   49.717  247.406   94.321 57.37318 106.6221 
1 1 1   -9   10   27 o  133.820   44.111   10.321   17.003   10.279   17.172   12.442  121.479   87.850   34.421  179.791   81.230 -91.94117 88.22163 
1 1 1   -9   10   28 f  302.693   57.633  265.133   40.812  267.993   41.396  165.956  243.766  363.358   29.194  242.028  111.507 121.3292 115.2658 
1 1 1   -9   10   29 o  189.823   46.153   77.794   25.269   78.884   25.724   47.787  134.953  191.920   35.660  187.726   85.141 4.193848 92.30687 
1 1 1   -9   10   30 o  305.173   48.758  258.534   39.416  263.618   41.730  216.458  120.040  357.488   29.913  252.857   92.816 104.6304 97.51679 
1 1 1   -9   10   31 o  200.276   45.635  100.958   33.572  101.803   35.628   94.266  100.262  211.516   44.570  189.036   79.647 22.48006 91.26965 
1 1 1   -9   10   32 f  193.827   27.706   82.831   20.009   86.976   31.039   79.884   26.174  196.519   41.761  191.135   36.420 5.384338 55.41172 
1 1 1   -9   10   33 o  201.212   35.991  124.413   33.594  153.372   36.887 -16.4233   81.346  268.068   35.261  134.356   62.755 133.7114 71.98280 
1 1 1   -9   11    1 o  596.773  116.938  818.595  262.591  818.595  262.591   0.0000   0.0000  596.773  116.938  ?   ?       ?      ? 
1 1 1   -9   11    2 o  291.020   55.725  182.546   64.950  167.522   91.155  198.039   92.569  279.181   79.719  302.860   77.885 -23.67868 111.4501 
1 1 1   -9   11    3 o  177.580   42.464   60.377   34.983   59.996   49.711   60.751   49.240  177.340   60.196  177.820   59.912 -0.4794769 84.92899 
1 1 1   -9   11    4 o  244.473   35.139  146.680   28.819  173.120   33.563   72.483   56.224  296.520   29.005  192.427   64.013 104.0933 70.27806 
1 1 1   -9   11    5 f  537.900   55.820  630.680   74.846  639.245   80.568  576.720  202.219  568.415   36.321  507.385  105.567 61.03049 111.6407 
1 1 1   -9   11    6 o  315.899   42.178  246.618   39.632  275.061   44.613  140.158   86.312  373.655   30.596  258.142   78.613 115.5132 84.35658 
1 1 1   -9   11    7 o  331.984   43.715  263.005   41.651  284.279   46.302  172.777   95.355  379.823   31.238  284.145   81.659 95.67795 87.43017 
1 1 1   -9   11    8 o  786.990   67.064  1197.92  119.587  1170.99  125.293  1473.51  400.854  768.001   41.805  805.978  127.447 -37.97705 134.1287 
1 1 1   -9   11    9 o  502.698  104.267  561.588  197.836   0.0000   0.0000  561.588  197.836  ?   ?   502.698  104.267      ?      ? 
1 1 1   -9   11   10 f  772.408  142.781  1422.91  414.523   0.0000   0.0000  1422.91  414.523  ?   ?   772.408  142.781      ?      ? 
1 1 1   -9   11   11 o  483.962   54.107  550.585   68.417  579.222   74.913  406.602  167.976  541.351   35.460  426.573  102.240 114.7784 108.2146 
1 1 1   -9   11   12 o  210.453   32.161   92.852   26.066  112.400   35.080   68.755   38.948  238.202   37.738  182.705   52.088 55.49762 64.32183 
1 1 1   -9   11   13 o  609.302   25.464  740.369   55.680  749.199   66.988  720.632  100.150  616.982   27.822  601.622   42.658 15.36023 50.92876 
1 1 1   -9   11   14 o  747.481   27.364  1072.64   72.588  1024.09   85.457  1198.40  137.545  720.586   30.390  774.375   45.516 -53.78925 54.72861 
1 1 1   -9   11   15 o  613.802   26.320  667.437   53.850  602.770   60.632  908.956  117.176  553.159   28.088  674.444   44.521 -121.2841 52.64060 
1 1 1   -9   11   16 o  557.735   27.063  566.390   49.702  526.125   55.897  718.424  108.618  516.775   27.718  598.694   46.491 -81.91888 54.12637 
1 1 1   -9   11   17 o  101.070   30.758   10.278   12.317   12.779   12.625 -39.2261   56.175   85.892   30.279  116.248   53.547 -30.35597 61.51518 
1 1 1   -9   11   18 o  285.586   67.271  175.471   73.737   0.0000   0.0000  175.471   73.737  ?   ?   285.586   67.271      ?      ? 
1 1 1   -9   11   19 o  638.536   29.418  806.481   73.304  806.481   73.304   0.0000   0.0000  638.536   29.418  ?   ?       ?      ? 
1 1 1   -9   11   20 o  306.317   42.792  196.635   31.479  196.159   33.283  200.666   96.921  314.943   27.081  297.691   81.187 17.25162 85.58431 
1 1 1   -9   11   21 o  456.064   37.141  432.820   45.840  434.145   49.613  425.090  119.836  467.949   27.168  444.179   69.135 23.77045 74.28140 
1 1 1   -9   11   22 o  699.101   32.596  896.939   69.070  837.891   75.625  1193.96  169.611  647.847   29.913  750.355   57.924 -102.5076 65.19156 
1 1 1   -9   11   23 o  324.892   56.376  285.420   40.116  291.040   41.145  177.282  180.489  381.772   27.618  268.012  109.317 113.7603 112.7512 
1 1 1   -9   11   24 o  306.297   47.756  175.737   32.026  168.084   33.244  274.476  119.417  289.086   29.468  323.507   90.852 -34.42093 95.51126 
1 1 1   -9   11   25 o  213.037   48.376  117.924   49.776  146.736   55.056 -11.0495  116.485  254.587   56.853  171.486   78.285 83.10117 96.75111 
1 1 1   -9   11   26 o  228.850   48.691   84.179   24.659   79.310   25.238  186.594  115.746  197.255   32.786  260.446   91.697 -63.19025 97.38203 
1 1 1   -9   11   27 o  396.301   50.797  378.694   68.860  378.245   81.914  379.773  127.138  417.088   50.327  375.514   88.252 41.57327 101.5934 
1 1 1   -9   11   28 o  204.794   48.639   95.405   27.292   97.835   27.561 -27.4600  195.948  218.109   32.380  191.479   91.730 26.63055 97.27753 
1 1 1   -9   11   29 o  287.836   44.078  155.695   33.078  140.418   35.026  281.703  100.594  259.005   34.654  316.666   81.060 -57.66049 88.15647 
1 1 1   -9   11   30 o  184.350   35.878   94.270   30.507  116.229   33.853  -0.6424   70.380  233.482   37.154  135.218   61.387 98.26460 71.75557 
1 1 1   -9   11   31 o  272.481   40.483  217.337   36.149  244.263   40.669  116.001   78.896  342.957   30.387  202.006   75.047 140.9505 80.96590 
1 1 1   -9   11   32 o  155.134   38.634   59.673   26.596   67.884   27.742 -33.5765   93.487  172.928   41.614  137.339   65.104 35.58986 77.26733 
1 1 1   -9   11   33 o  127.883   36.426   31.718   24.944   40.793   26.271 -51.4080   79.507  134.224   43.714  121.541   58.280 12.68304 72.85242 
1 1 1   -9   12    1 o  674.910   89.762  1054.74  227.731  1066.29  323.031  1043.33  321.099  678.969  126.573  670.851  127.311 8.117798 179.5238 
1 1 1   -9   12    2 o  263.587   53.188  147.318   57.464  138.489   81.050  156.242   81.484  256.272   75.761  270.902   74.674 -14.63000 106.3768 
1 1 1   -9   12    3 o  455.340   69.345  457.172  119.616  424.874  167.154  491.069  171.245  437.476  100.081  473.204   96.015 -35.72787 138.6907 
1 1 1   -9   12    4 o  174.262   34.358   64.574   23.807   72.260   28.843   48.145   42.169  187.384   40.616  161.140   55.428 26.24390 68.71593 
1 1 1   -9   12    5 o  790.260   72.548  1328.65  130.621  1322.35  138.279  1380.85  398.052  815.550   43.448  764.969  138.438 50.58093 145.0956 
1 1 1   -9   12    6 o  585.498   58.231  714.984   83.603  712.994   89.388  728.888  236.225  600.146   38.167  570.850  110.030 29.29645 116.4616 
1 1 1   -9   12    7 o  1004.23   91.365  2190.24  204.475  2164.89  215.894  2411.03  637.142  1038.72   53.261  969.734  174.795 68.98871 182.7294 
1 1 1   -9   12    8 o  890.508  166.050  1996.06  555.815   0.0000   0.0000  1996.06  555.815  ?   ?   890.508  166.050      ?      ? 
1 1 1   -9   12    9 o  513.485   54.489  553.494   70.549  554.016   75.814  550.122  192.687  529.214   36.710  497.755  102.609 31.45828 108.9782 
1 1 1   -9   12   10 o  487.982   53.780  496.285   66.578  495.201   71.539  503.297  181.950  500.243   36.646  475.721  101.124 24.52225 107.5598 
1 1 1   -9   12   11 o  1065.53  102.393  2934.17  256.751  3042.20  277.717  2298.64  673.585  1226.18   58.039  904.882  196.390 321.2934 204.7867 
1 1 1   -9   12   12 o  809.002   80.313  1568.80  149.491  1605.80  159.949  1313.26  420.326  896.542   45.717  721.462  153.982 175.0807 160.6257 
1 1 1   -9   12   13 o  876.608   84.258  1777.33  166.581  1788.79  177.044  1688.84  491.845  944.647   48.026  808.570  161.528 136.0771 168.5163 
1 1 1   -9   12   14 o  475.677   56.533  532.448   53.298  542.674   55.694  421.221  183.684  524.997   27.184  426.357  109.749 98.64011 113.0661 
1 1 1   -9   12   15 o  379.257   35.693  331.456   38.229  357.320   43.029  234.559   83.286  426.130   25.876  332.383   66.531 93.74747 71.38602 
1 1 1   -9   12   16 o  373.592   31.512  269.492   34.777  264.287   38.124  295.289   84.872  366.310   26.670  380.875   57.102 -14.56494 63.02322 
1 1 1   -9   12   17 o  1008.40   55.845  2072.34  219.761   0.0000   0.0000  2072.34  219.761  ?   ?   1008.40   55.845      ?      ? 
1 1 1   -9   12   18 o  549.746   37.054  545.814   53.122  523.532   56.477  716.828  156.460  514.774   28.114  584.718   68.569 -69.94379 74.10823 
1 1 1   -9   12   19 o  317.736   39.923  177.110   29.192  168.899   30.582  261.326   97.940  292.297   26.811  343.175   75.209 -50.87799 79.84519 
1 1 1   -9   12   20 o  893.936   61.932  1687.40  216.051   0.0000   0.0000  1687.40  216.051  ?   ?   893.936   61.932      ?      ? 
1 1 1   -9   12   22 o  142.443   41.568   31.011   17.687   33.777   17.849 -119.9728  131.862  127.222   34.900  157.663   75.456 -30.44073 83.13615 
1 1 1   -9   12   23 o  164.266   43.167   46.945   19.782   48.232   20.106   7.9180  110.731  151.264   34.787  177.268   79.016 -26.00380 86.33404 
1 1 1   -9   12   24 o  382.743   49.631  287.813   60.860  244.568   67.973  462.605  136.656  337.161   51.662  428.324   84.758 -91.16302 99.26126 
1 1 1   -9   12   25 o  208.938   44.473  101.164   26.136  104.022   26.794   45.170  118.593  226.678   30.290  191.199   83.630 35.47897 88.94672 
1 1 1   -9   12   26 o  173.828   42.896   62.847   23.345   65.375   23.877   7.9276  111.285  175.290   36.107  172.367   77.823 2.923248 85.79100 
1 1 1   -9   12   27 o  206.327   47.717   80.327   24.345   78.250   24.877  127.323  118.347  192.307   34.413  220.347   89.014 -28.03957 95.43449 
1 1 1   -9   12   28 o  255.152  113.089  287.727  223.629   0.0000   0.0000  287.727  223.629  ?   ?   255.152  113.089      ?      ? 
1 1 1   -9   12   29 o  259.743   79.012  195.489   87.226   0.0000   0.0000  195.489   87.226  ?   ?   259.743   79.012      ?      ? 
1 1 1   -9   12   30 o   89.464   31.871 -18.2929   15.025 -17.7176   15.372 -30.6062   71.113   55.085   26.196  123.843   58.110 -68.75800 63.74179 
1 1 1   -9   12   31 o  249.125   44.900  176.707   35.796  183.062   38.014  126.961  106.353  295.077   33.012  203.173   83.511 91.90367 89.79910 
1 1 1   -9   12   32 o  161.886   45.951   30.624   22.395   24.086   23.010  148.127   97.548  110.780   40.641  212.992   82.428 -102.2119 91.90269 
1 1 1   -9   13    1 o  631.613   84.962  908.353  201.741  877.603  282.964  940.142  287.705  619.578  121.373  643.648  118.924 -24.07031 169.9245 
1 1 1   -9   13    2 o  182.441   43.444   63.789   36.641   60.138   52.003   67.389   51.636  179.079   61.555  185.802   61.324 -6.722504 86.88868 
1 1 1   -9   13    3 o  143.098   36.710   33.746   26.431   41.087   39.138   27.591   35.837  151.591   53.327  134.605   50.466 16.98596 73.42035 
1 1 1   -9   13    4 f  514.466  105.325  589.051  204.337   0.0000   0.0000  589.051  204.337  ?   ?   514.466  105.325      ?      ? 
1 1 1   -9   13    5 o  447.426   97.666  441.387  165.741   0.0000   0.0000  441.387  165.741  ?   ?   447.426   97.666      ?      ? 
1 1 1   -9   13    6 o  763.147   70.527  1265.57  127.153  1268.84  135.552  1241.63  366.936  798.742   43.488  727.553  134.183 71.18933 141.0540 
1 1 1   -9   13    7 o  272.504   36.824  188.411   35.229  248.288   43.027   66.637   61.361  354.949   31.063  190.059   66.777 164.8896 73.64815 
1 1 1   -9   13    8 o  394.390   49.204  338.877   53.940  346.365   59.148  301.885  131.471  418.412   36.225  370.367   91.498 48.04471 98.40777 
1 1 1   -9   13    9 o  330.862   44.141  273.648   45.232  313.194   51.799  146.659   92.822  398.218   33.332  263.507   81.748 134.7115 88.28278 
1 1 1   -9   13   10 o  442.716   52.887  416.794   62.966  418.775   68.435  405.867  160.749  459.493   38.165  425.939   98.649 33.55328 105.7743 
1 1 1   -9   13   11 o  772.161   73.362  1249.79  126.991  1233.28  133.953  1396.39  399.111  786.287   43.656  758.035  140.079 28.25262 146.7238 
1 1 1   -9   13   12 o  183.645   43.784   66.431   37.096   77.750   45.723   44.630   63.455  193.840   56.790  173.449   66.657 20.39165 87.56849 
1 1 1   -9   13   13 o  574.719   60.988  777.607   93.594  813.879  103.116  607.969  222.999  639.072   41.347  510.367  114.754 128.7054 121.9753 
1 1 1   -9   13   14 o  255.617   50.427  139.502   49.181  141.965   58.112  133.283   92.327  259.253   58.792  251.981   81.945 7.272812 100.8538 
1 1 1   -9   13   15 o  171.816   39.486   51.311   20.162   50.890   21.033   56.079   70.808  157.180   35.169  186.452   70.708 -29.27176 78.97122 
1 1 1   -9   13   16 o  541.059   37.515  582.878   79.210  582.878   79.210   0.0000   0.0000  541.059   37.515  ?   ?       ?      ? 
1 1 1   -9   13   17 f  140.878   32.859   40.941   17.733   40.941   17.733   0.0000   0.0000  140.878   32.859  ?   ?       ?      ? 
1 1 1   -9   13   19 o  207.771   42.772   79.220   21.436   78.474   22.052   92.014   91.291  198.824   28.422  216.719   80.685 -17.89552 85.54449 
1 1 1   -9   13   20 o  266.525   46.193  179.503   32.977  187.066   34.549  101.997  110.607  306.431   28.891  226.619   87.753 79.81201 92.38663 
1 1 1   -9   13   21 o  173.057   34.351   62.395   22.380   62.395   22.380   0.0000   0.0000  173.057   34.351  ?   ?       ?      ? 
1 1 1   -9   13   22 o  438.170   48.761  424.288   71.351  408.854   83.181  467.264  138.807  440.559   48.383  435.782   84.673 4.777008 97.52161 
1 1 1   -9   13   23 o  201.578   54.758   78.170   50.430   70.510   55.839  112.060  117.450  180.660   63.681  222.496   89.099 -41.83542 109.5168 
1 1 1   -9   13   24 o  229.049   51.995  137.949   54.723  161.479   61.810   52.640  117.691  264.123   61.171  193.975   84.096 70.14870 103.9906 
1 1 1   -9   13   25 o  118.889   37.627   13.530   15.594   15.019   15.827 -35.7656   91.086   92.857   33.760  144.922   67.257 -52.06445 75.25428 
1 1 1   -9   13   26 o  225.120   39.980  144.212   31.433  159.084   33.552   37.469   89.885  279.317   30.781  170.923   73.797 108.3943 79.95972 
1 1 1   -9   13   27 o  198.424   38.210  112.105   27.494  122.925   28.625 -16.7802   98.792  245.027   29.937  151.820   70.311 93.20775 76.41925 
1 1 1   -9   13   28 o   94.773   32.392  -0.7293   14.965   2.6787   15.188 -114.2704   87.662   73.518   30.988  116.028   56.891 -42.51048 64.78323 
1 1 1   -9   13   29 o  179.584   43.998   58.156   23.653   52.945   24.589  122.770   86.585  153.535   40.467  205.633   78.140 -52.09816 87.99647 
1 1 1   -9   13   30 o  150.874   42.099   43.550   22.175   44.908   22.622   10.237  112.070  141.714   39.453  160.034   74.382 -18.31999 84.19778 
1 1 1   -9   13   31 o   91.475   32.499  -7.7389   15.513  -4.1751   15.693 -160.4055  102.711   66.785   29.759  116.166   57.786 -49.38045 64.99878 
1 1 1   -9   14    1 f  944.334  180.145  2338.42  639.641   0.0000   0.0000  2338.42  639.641  ?   ?   944.334  180.145      ?      ? 
1 1 1   -9   14    2 o  453.149   98.316  454.092  168.861   0.0000   0.0000  454.092  168.861  ?   ?   453.149   98.316      ?      ? 
1 1 1   -9   14    3 o  189.659   44.556   69.802   38.631   78.991   55.441   61.131   53.859  198.385   63.403  180.933   62.618 17.45140 89.11169 
1 1 1   -9   14    4 o  290.444   56.434  181.375   65.926  184.155   94.223  178.709   92.276  292.507   80.164  288.381   79.455 4.125641 112.8682 
1 1 1   -9   14    5 o  517.675   75.104  600.722  146.615  638.622  210.572  565.059  204.261  534.868  104.632  500.482  107.770 34.38562 150.2071 
1 1 1   -9   14    6 o  453.862   51.855  439.176   65.515  443.270   71.921  419.216  158.792  472.713   38.988  435.012   96.102 37.70154 103.7098 
1 1 1   -9   14    7 o  750.757   72.351  1228.30  126.567  1227.41  134.614  1235.01  371.651  784.679   43.961  716.834  137.864 67.84546 144.7029 
1 1 1   -9   14    8 f  291.685   39.121  208.426   41.280  287.914   52.365   77.947   67.091  381.431   35.180  201.940   69.888 179.4906 78.24283 
1 1 1   -9   14    9 o  372.641   46.655  316.017   54.577  340.654   62.841  240.398  110.095  414.164   38.881  331.118   84.824 83.04568 93.31046 
1 1 1   -9   14   10 o  381.036   51.969  272.812   60.471  251.847   66.731  369.095  143.007  354.312   48.262  407.759   92.053 -53.44678 103.9371 
1 1 1   -9   14   11 o  305.922   45.980  218.794   51.351  262.629   62.770  130.086   89.293  362.479   44.375  249.365   80.544 113.1133 91.95927 
1 1 1   -9   14   12 f  698.651   67.389  1083.44  119.169  1091.11  128.732  1037.45  315.079  738.494   44.669  658.807  127.161 79.68781 134.7781 
1 1 1   -9   14   13 o  361.019   50.428  315.442   60.378  359.590   70.631  195.623  116.360  424.238   42.663  297.800   91.387 126.4375 100.8555 
1 1 1   -9   14   14 o  238.623   95.390   85.092  134.360   85.092  134.360   0.0000   0.0000  238.623   95.390  ?   ?       ?      ? 
1 1 1   -9   14   15 o  482.791   45.711  469.100   86.122  469.100   86.122   0.0000   0.0000  482.791   45.711  ?   ?       ?      ? 
1 1 1   -9   14   16 o  360.581   46.898  231.540   35.676  223.079   37.058  338.689  131.876  335.884   28.272  385.278   89.434 -49.39453 93.79581 
1 1 1   -9   14   17 o  352.702   51.412  257.432   37.694  255.046   39.130  288.176  140.451  358.869   27.941  346.536   98.954 12.33319 102.8234 
1 1 1   -9   14   18 o  181.443   42.244   59.082   19.149   59.985   19.516   35.748   99.212  173.753   28.782  189.133   79.434 -15.37958 84.48762 
1 1 1   -9   14   19 o  217.902   45.949   97.702   24.487   98.898   25.055   72.244  115.625  222.781   28.820  213.023   87.261 9.757141 91.89709 
1 1 1   -9   14   20 o  421.400   62.170  487.438   52.766  497.073   54.663  355.870  201.997  498.931   28.075  343.868  121.129 155.0629 124.3397 
1 1 1   -9   14   21 o  249.779   64.988  144.077   63.952  144.077   63.952   0.0000   0.0000  249.779   64.988  ?   ?       ?      ? 
1 1 1   -9   14   22 o  782.714   68.731  1408.83  209.938   0.0000   0.0000  1408.83  209.938  ?   ?   782.714   68.731      ?      ? 
1 1 1   -9   14   23 o  319.848   50.982  222.202   35.235  218.073   36.549  276.527  132.572  328.963   28.471  310.734   97.909 18.22931 101.9645 
1 1 1   -9   14   24 o  502.447   63.154  576.340  123.830   0.0000   0.0000  576.340  123.830  ?   ?   502.447   63.154      ?      ? 
1 1 1   -9   14   25 o  321.996   41.828  248.939   37.143  255.205   40.723  217.927   90.592  354.559   29.432  289.433   78.308 65.12592 83.65594 
1 1 1   -9   14   26 o  141.156   41.669   19.332   17.315   17.022   17.679   73.612   85.692   97.617   35.652  184.696   75.328 -87.07934 83.33841 
1 1 1   -9   14   27 o  182.731   38.790   88.674   28.731   98.739   30.154 -10.4625   94.635  216.615   35.672  148.846   68.893 67.76874 77.58015 
1 1 1   -9   14   28 o  306.372   44.462  196.594   34.725  184.293   36.855  293.865  103.637  297.381   31.758  315.362   83.060 -17.98178 88.92426 
1 1 1   -9   14   29 o  223.748   35.869  106.439   31.319  106.439   31.319   0.0000   0.0000  223.748   35.869  ?   ?       ?      ? 
1 1 1   -9   14   30 o  120.700   36.189   24.027   19.577   29.463   19.882 -149.3250  112.268  117.105   38.023  124.295   61.587 -7.189514 72.37885 
1 1 1   -9   14   31 o  130.709   38.064   31.760   19.853   35.396   20.158 -85.7618  114.611  126.216   37.891  135.201   66.028 -8.984894 76.12803 
1 1 1   -9   15    1 o  438.935   68.784  428.420  114.736  444.181  163.427  413.102  161.121  447.511   96.425  430.358   98.117 17.15381 137.5674 
1 1 1   -9   15    2 o  825.981  106.144  1671.46  334.548  1838.00  487.837  1523.60  459.664  875.422  142.799  776.539  157.081 98.88239 212.2881 
1 1 1   -9   15    3 o  368.989   63.470  300.122   90.515  301.803  128.631  298.473  127.392  369.946   89.967  368.032   89.552 1.913879 126.9392 
1 1 1   -9   15    4 o  599.962   83.626  831.674  188.827  812.708  265.880  850.974  268.221  592.167  119.182  607.757  117.341 -15.58972 167.2518 
1 1 1   -9   15    5 o  330.268   60.712  239.127   78.947  246.434  113.517  232.281  109.868  334.993   86.302  325.542   85.414 9.451233 121.4238 
1 1 1   -9   15    6 o  173.682   43.266   52.471   36.388   72.424   56.138   38.014   47.786  191.964   63.970  155.400   58.273 36.56450 86.53245 
1 1 1   -9   15    7 o  613.616   62.313  777.902   99.452  765.340  107.206  855.441  266.346  619.006   44.381  608.226  116.456 10.78070 124.6260 
1 1 1   -9   15    8 o  709.814   70.864  1085.95  124.408  1078.32  133.357  1137.11  345.432  733.718   46.575  685.909  133.857 47.80975 141.7283 
1 1 1   -9   15    9 o  874.800   82.406  1664.65  165.871  1642.85  175.851  1840.56  499.480  903.664   49.866  845.935  157.087 57.72894 164.8114 
1 1 1   -9   15   10 o  382.929   50.829  336.254   65.130  370.166   77.114  251.864  121.646  429.810   45.975  336.049   90.667 93.76099 101.6576 
1 1 1   -9   15   11 o  201.005   46.853   81.255   43.312   98.141   57.783   59.604   65.431  216.319   63.975  185.691   68.470 30.62776 93.70665 
1 1 1   -9   15   12 o  282.567   95.624  171.719  125.444  171.719  125.444   0.0000   0.0000  282.567   95.624  ?   ?       ?      ? 
1 1 1   -9   15   13 o  271.403   63.460  157.708   66.010  157.708   66.010   0.0000   0.0000  271.403   63.460  ?   ?       ?      ? 
1 1 1   -9   15   14 o  656.353   71.036  1050.48  120.181  1087.54  131.357  860.081  297.750  734.374   45.836  578.333  134.475 156.0407 142.0719 
1 1 1   -9   15   15 o  551.667   45.870  616.111   98.751  616.111   98.751   0.0000   0.0000  551.667   45.870  ?   ?       ?      ? 
1 1 1   -9   15   16 o  148.910   45.728  -2.6502   48.530 -16.7859   62.605   18.634   76.820  132.906   59.315  164.915   69.613 -32.00902 91.45580 
1 1 1   -9   15   17 o  279.960   56.676  189.006   64.038  208.255   75.791  140.972  119.726  307.233   65.231  252.687   92.703 54.54660 113.3529 
1 1 1   -9   15   18 o  198.230   46.317   59.571   20.449   57.493   20.845  112.633  105.336  166.488   33.248  229.973   86.462 -63.48471 92.63428 
1 1 1   -9   15   19 o  348.613   58.480  335.451   72.426  370.423   81.241  200.027  159.868  420.277   49.534  276.950  105.952 143.3274 116.9591 
1 1 1   -9   15   20 o  364.714  123.167  432.201  208.110   0.0000   0.0000  432.201  208.110  ?   ?   364.714  123.167      ?      ? 
1 1 1   -9   15   21 o  135.262   35.254   38.742   18.798   38.742   18.798   0.0000   0.0000  135.262   35.254  ?   ?       ?      ? 
1 1 1   -9   15   22 o  287.990   58.429  165.630   32.360  161.915   32.879  280.563  182.874  283.034   29.768  292.946  113.003 -9.911804 116.8583 
1 1 1   -9   15   23 f  264.073   50.975  202.121   36.596  208.945   37.196  -4.4200  204.637  321.273   29.668  206.874   97.539 114.3990 101.9508 
1 1 1   -9   15   24 o  446.920   72.809  588.788   61.898  585.929   63.269  652.633  299.007  536.749   30.205  357.092  142.450 179.6572 145.6175 
1 1 1   -9   15   25 o  258.265   51.732  195.181   36.797  200.022   37.221 -13.4748  244.370  312.612   30.511  203.918   98.863 108.6947 103.4641 
1 1 1   -9   15   26 o  227.607   53.356  127.376   33.960  128.398   34.279   73.088  249.763  247.221   35.531  207.992  100.622 39.22823 106.7114 
1 1 1   -9   15   27 o  131.059   43.372   11.876   15.641   11.262   15.774   47.833  120.666   85.884   33.172  176.233   80.151 -90.34947 86.74425 
1 1 1   -9   15   28 o  246.552   49.401  167.484   34.031  168.492   34.846  146.687  158.288  284.272   31.412  208.832   93.676 75.44073 98.80240 
1 1 1   -9   15   29 o  198.593   46.610  101.818   30.021  105.133   30.304 -72.9861  220.070  222.621   34.883  174.565   86.447 48.05598 93.21954 
1 1 1   -9   15   30 o  156.860   45.187   41.278   21.012   40.340   21.312   73.897  125.688  134.191   38.617  179.528   81.708 -45.33658 90.37453 
1 1 1   -9   16    1 o  355.527   62.029  278.337   85.780  314.764  123.606  244.494  119.140  378.785   85.632  332.269   89.763 46.51633 124.0571 
1 1 1   -9   16    2 o  859.954  112.938  1883.12  370.219  2144.25  547.000  1662.39  502.912  928.028  151.041  791.880  167.949 136.1470 225.8766 
1 1 1   -9   16    3 o  969.877  141.623  2728.97  517.720  3031.94  760.398  2467.16  706.864  1027.65  196.778  912.106  203.732 115.5405 283.2461 
1 1 1   -9   16    4 o  283.732   57.545  174.722   67.033  172.625   96.272  176.695   93.391  282.154   82.331  285.310   80.421 -3.155731 115.0909 
1 1 1   -9   16    5 o  986.195  149.735  2956.91  558.829  3202.17  813.417  2737.68  769.055  1031.23  209.278  941.154  214.207 90.08124 299.4699 
1 1 1   -9   16    6 o  260.279   55.831  144.125   61.495  155.552   91.119  134.566   83.336  268.807   80.530  251.751   77.353 17.05589 111.6629 
1 1 1   -9   16    7 o  246.475   54.714  125.859   58.573  151.013   88.046  105.888   78.452  264.991   79.109  227.960   75.606 37.03069 109.4278 
1 1 1   -9   16    8 o  236.861   46.435  121.261   46.417  159.140   62.300   73.997   69.591  274.410   59.862  199.312   71.001 75.09811 92.86920 
1 1 1   -9   16    9 o  438.495   48.590  387.011   83.147  387.011   83.147   0.0000   0.0000  438.495   48.590  ?   ?       ?      ? 
1 1 1   -9   16   10 o  458.883  109.782  494.562  193.954  494.562  193.954   0.0000   0.0000  458.883  109.782  ?   ?       ?      ? 
1 1 1   -9   16   11 o  942.577   52.220  1803.02  192.080  1803.02  192.080   0.0000   0.0000  942.577   52.220  ?   ?       ?      ? 
1 1 1   -9   16   12 o  516.342   60.164  633.111   94.289  675.670  107.901  495.640  193.926  578.096   47.829  454.588  110.413 123.5077 120.3278 
1 1 1   -9   16   13 o  803.727   83.825  1549.55  163.659  1551.40  176.013  1537.74  444.673  871.641   51.746  735.812  159.465 135.8287 167.6503 
1 1 1   -9   16   14 o  171.531   49.116   33.934   51.400   52.514   74.400   16.970   71.093  183.657   71.733  159.406   67.110 24.25095 98.23153 
1 1 1   -9   16   15 o  552.174   66.024  781.303  104.913  835.041  118.248  582.537  227.417  638.711   47.441  465.637  123.232 173.0735 132.0485 
1 1 1   -9   16   16 o  171.429   49.355   38.245   50.946   39.971   64.879   35.468   82.278  166.579   66.386  176.279   73.051 -9.699860 98.70907 
1 1 1   -9   16   17 o  299.582   54.864  225.567   65.624  256.625   77.757  148.677  122.343  346.966   57.428  252.198   93.501 94.76732 109.7289 
1 1 1   -9   16   18 o  302.368   50.885  244.637   74.211  370.755   92.494   16.758  124.331  414.896   57.127  189.839   84.223 225.0567 101.7699 
1 1 1   -9   16   19 o  336.709   56.905  288.947   42.647  291.288   44.058  254.130  169.901  380.470   29.674  292.948  109.873 87.52246 113.8097 
1 1 1   -9   16   20 o  178.240   48.305   47.140   19.099   46.772   19.286   65.803  137.327  148.783   33.965  207.697   90.443 -58.91409 96.60971 
1 1 1   -9   16   21 o  172.249   47.790   46.464   18.693   46.997   18.830   10.221  155.369  149.179   33.200  195.319   89.629 -46.14009 95.58063 
1 1 1   -9   16   22 o  615.899   31.341  771.327   75.327  771.327   75.327   0.0000   0.0000  615.899   31.341  ?   ?       ?      ? 
1 1 1   -9   16   23 o  416.484   72.958  563.751  100.066  568.986  106.929  526.855  283.885  506.537   54.095  326.431  135.518 180.1059 145.9155 
1 1 1   -9   16   24 o  139.283   47.623   16.976   16.538   17.827   16.588 -124.3763  213.741   97.710   34.679  180.856   88.709 -83.14672 95.24687 
1 1 1   -9   16   25 o  275.212   59.778  191.290   40.710  187.913   41.285  309.916  244.712  299.216   35.357  251.208  114.208 48.00793 119.5559 
1 1 1   -9   16   26 o  199.057   53.930   81.691   28.349   81.433   28.520  102.998  259.350  191.894   39.405  206.220  100.405 -14.32584 107.8604 
1 1 1   -9   16   27 o  124.188   37.270   33.712   19.504   33.712   19.504   0.0000   0.0000  124.188   37.270  ?   ?       ?      ? 
1 1 1   -9   16   28 o  203.082   56.244   74.658   25.064   72.776   25.190  260.117  250.090  182.015   36.731  224.149  106.322 -42.13416 112.4876 
1 1 1   -9   16   29 o  199.977   51.594   87.288   28.121   85.914   28.413  153.123  196.686  196.673   38.398  203.281   95.778 -6.607651 103.1881 
1 1 1   -9   17    1 o  177.273   43.517   55.943   37.815   82.188   54.769   32.034   52.275  200.349   62.900  154.197   60.155 46.15202 87.03492 
1 1 1   -9   17    2 o  296.307   56.645  189.087   68.024  241.224   99.760  143.780   92.996  332.783   78.151  259.830   82.017 72.95297 113.2891 
1 1 1   -9   17    3 o  113.832   31.543  -3.2712   22.569   42.381   36.328 -31.9665   28.801  150.345   51.456   77.319   36.497 73.02652 63.08547 
1 1 1   -9   17    4 o  215.932   48.355   90.321   46.690  133.998   71.163   57.308   61.868  250.218   70.086  181.645   66.640 68.57278 96.71016 
1 1 1   -9   17    5 o  620.092   88.056  920.492  205.633  965.799  295.380  877.885  286.444  636.324  123.405  603.860  125.645 32.46442 176.1122 
1 1 1   -9   17    6 o  784.047  157.985  1621.72  466.678  1621.72  466.678   0.0000   0.0000  784.047  157.985  ?   ?       ?      ? 
1 1 1   -9   17    7 o  446.339  104.807  462.142  179.434  462.142  179.434   0.0000   0.0000  446.339  104.807  ?   ?       ?      ? 
1 1 1   -9   17    8 o  257.005   57.810  140.013   64.907  160.505   98.383  124.219   86.370  271.212   84.166  242.798   79.272 28.41422 115.6194 
1 1 1   -9   17    9 o  409.111   54.651  385.523   80.423  449.360  101.838  279.735  131.097  468.923   55.651  349.300   94.073 119.6229 109.3017 
1 1 1   -9   17   10 o  278.362   54.377  171.647   62.544  215.732   87.479  125.549   89.455  313.663   72.860  243.061   80.739 70.60146 108.7539 
1 1 1   -9   17   11 o  616.133   56.748  782.993  136.445  782.993  136.445   0.0000   0.0000  616.133   56.748  ?   ?       ?      ? 
1 1 1   -9   17   12 o  352.707   59.258  293.056   79.492  322.666  100.939  244.704  128.988  384.354   69.871  321.060   95.730 63.29321 118.5166 
1 1 1   -9   17   13 o  214.515   52.920   85.476   57.297  147.005   85.245   34.773   77.384  255.202   78.204  173.828   71.317 81.37416 105.8396 
1 1 1   -9   17   14 o  333.047   53.628  270.851   73.124  374.140   96.607  132.283  111.895  420.766   58.835  245.329   89.678 175.4370 107.2554 
1 1 1   -9   17   15 o  339.420   81.233  331.015  132.143  245.073  230.516  373.080  161.271  302.655  123.505  376.185  105.556 -73.52982 162.4666 
1 1 1   -9   17   16 o  138.672   44.742 -29.8227   53.177 -15.0713   80.882 -41.0543   70.575  148.713   66.818  128.632   59.522 20.08127 89.48419 
1 1 1   -9   17   17 o  175.524   52.852   32.489   62.281   26.138   79.998   42.260   99.235  165.734   70.546  185.315   78.719 -19.58066 105.7045 
1 1 1   -9   17   18 o  161.202   51.062  -5.3169   65.340 -24.9658   85.458   22.335  101.379  146.378   66.912  176.027   77.150 -29.64917 102.1242 
1 1 1   -9   17   19 o  162.236   51.669  -3.8225   69.122   15.550   91.768 -29.2272  105.087  166.039   73.071  158.433   73.072 7.605774 103.3388 
1 1 1   -9   17   20 o  235.408   48.978  134.789   30.360  137.642   30.990   66.728  151.362  260.662   30.466  210.154   93.097 50.50781 97.95543 
1 1 1   -9   17   21 o  246.758   53.170  141.625   30.375  142.486   30.787  110.100  186.369  265.167   29.752  228.348  102.093 36.81903 106.3401 
1 1 1   -9   17   22 o  239.623   55.043  123.554   28.948  123.257   29.231  138.666  208.313  245.977   30.452  233.268  105.790 12.70888 110.0855 
1 1 1   -9   17   23 o  251.972  114.495  260.284  245.527   0.0000   0.0000  260.284  245.527  ?   ?   251.972  114.495      ?      ? 
1 1 1   -9   17   24 o  244.925   50.674  169.142   33.602  171.927   33.984   47.313  224.757  288.935   30.140  200.914   96.763 88.02150 101.3488 
1 1 1   -9   17   25 o  252.228   31.594  132.390   31.098  132.390   31.098   0.0000   0.0000  252.228   31.594  ?   ?       ?      ? 
1 1 1   -9   17   27 o  173.970   58.162   33.566   70.307   24.964   74.194  109.272  220.106  147.763   65.333  200.178   96.244 -52.41493 116.3243 
1 1 1   -9   17   28 o  279.413   57.858  204.601   39.547  198.603   40.277  365.611  208.668  306.228   33.704  252.598  110.698 53.63017 115.7155 
1 1 1   -9   18    1 o  109.058   46.208   2.6729   34.050   2.6729   34.050   0.0000   0.0000  109.058   46.208  ?   ?       ?      ? 
1 1 1   -9   18    2 o  155.066   60.030   34.279   51.750   34.279   51.750   0.0000   0.0000  155.066   60.030  ?   ?       ?      ? 
1 1 1   -9   18    3 o  736.415  150.125  1421.40  416.796  1421.40  416.796   0.0000   0.0000  736.415  150.125  ?   ?       ?      ? 
1 1 1   -9   18    4 o  358.449   64.959  290.220   91.547  334.701  133.827  251.097  125.507  384.779   90.621  332.119   93.094 52.65964 129.9173 
1 1 1   -9   18    5 o  570.867   83.695  782.647  180.176  889.119  264.910  690.997  245.779  610.588  115.406  531.147  121.246 79.44128 167.3895 
1 1 1   -9   18    6 o  299.650   61.766  202.205   76.567  200.477  112.377  203.703  104.605  298.133   89.458  301.168   85.190 -3.035461 123.5317 
1 1 1   -9   18    7 o  206.542   53.403   80.033   55.783   71.738   87.129   85.795   72.616  205.060   78.274  208.024   72.668 -2.963745 106.8054 
1 1 1   -9   18    8 o  185.306   51.131   52.827   53.467   28.465   86.537   67.869   67.999  179.050   74.618  191.562   69.926 -12.51137 102.2618 
1 1 1   -9   18    9 o  773.890  188.225  1983.28  562.983  1983.28  562.983   0.0000   0.0000  773.890  188.225  ?   ?       ?      ? 
1 1 1   -9   18   10 o  759.206   62.110  1213.50  184.014  1213.50  184.014   0.0000   0.0000  759.206   62.110  ?   ?       ?      ? 
1 1 1   -9   18   11 o  228.685   57.131  100.465   63.718  162.082  101.998   61.029   81.600  265.324   86.122  192.046   75.092 73.27829 114.2625 
1 1 1   -9   18   12 o  399.586   61.426  399.176   93.078  472.390  118.316  280.285  150.772  468.730   64.683  330.442  104.445 138.2879 122.8522 
1 1 1   -9   18   13 o  520.719   68.873  596.459  139.954  596.459  139.954   0.0000   0.0000  520.719   68.873  ?   ?       ?      ? 
1 1 1   -9   18   14 o  261.055   56.352  137.099   69.191  280.767  109.916   42.805   89.048  340.100   83.445  182.010   75.758 158.0899 112.7050 
1 1 1   -9   18   15 o  266.548   61.151  180.755   74.994  215.471   98.821  133.609  115.160  294.931   82.583  238.166   90.208 56.76439 122.3011 
1 1 1   -9   18   16 o  252.465   55.369  152.191   71.048  254.372   96.265   29.939  105.296  323.002   77.387  181.928   79.209 141.0740 110.7375 
1 1 1   -9   18   17 o  253.065   57.343  162.576   75.676  253.992   98.554   31.232  118.132  318.757   79.497  187.372   82.663 131.3841 114.6861 
1 1 1   -9   18   18 o  156.913   50.987 -25.2894   70.994 -40.4398   95.577  -6.6414  106.037  147.744   68.677  166.082   75.380 -18.33739 101.9743 
1 1 1   -9   18   19 o  247.384   60.984  166.721   81.628  229.443  100.997   48.570  138.616  295.428   83.757  199.339   88.661 96.08873 121.9672 
1 1 1   -9   18   20 o  196.661   81.563   77.449  102.687   77.449  102.687   0.0000   0.0000  196.661   81.563  ?   ?       ?      ? 
1 1 1   -9   18   21 o  196.008   53.496   59.288   21.832   58.209   21.994  131.769  180.239  165.008   35.228  227.008  101.026 -62.00063 106.9918 
1 1 1   -9   18   22 o  208.804   48.916  103.172   29.776  105.687   30.144   1.9999  191.182  225.508   34.253  192.100   91.639 33.40845 97.83150 
1 1 1   -9   18   23 o  370.976   60.677  550.486  102.103  614.685  111.343  211.135  255.991  514.124   55.496  227.828  107.922 286.2962 121.3549 
1 1 1   -9   18   24 o  515.103   30.138  549.307   60.582  549.307   60.582   0.0000   0.0000  515.103   30.138  ?   ?       ?      ? 
1 1 1   -9   18   25 o  187.707   50.848   70.891   25.082   70.851   25.250   73.874  218.038  179.436   37.277  195.978   94.618 -16.54141 101.6963 
1 1 1   -9   18   26 o  271.438   53.741  221.564   40.138  221.956   40.779  209.386  227.350  325.532   32.100  217.343  102.577 108.1897 107.4820 
1 1 1   -9   18   27 o  179.562   46.038   73.834   25.454   75.212   25.734   11.427  173.176  184.523   37.025  174.600   84.303 9.922699 92.07539 
1 1 1   -9   19    1 o  143.323   41.226   16.074   37.316   40.852   52.720  -8.8029   52.825  160.353   60.963  126.293   55.513 34.06010 82.45138 
1 1 1   -9   19    2 o  180.080   48.048   54.778   46.132   51.234   65.602   58.245   64.884  177.700   67.898  182.459   68.003 -4.758804 96.09674 
1 1 1   -9   19    3 o  436.305   71.439  445.767  119.791  559.939  179.218  353.566  161.054  490.456   97.074  382.154  104.837 108.3022 142.8775 
1 1 1   -9   19    4 o  481.190   76.774  557.825  140.930  671.662  209.837  464.284  190.215  529.937  105.179  432.444  111.869 97.49240 153.5490 
1 1 1   -9   19    5 o  178.663   48.563   47.196   46.927   75.099   75.442   29.587   59.932  199.902   73.550  157.424   63.433 42.47786 97.12522 
1 1 1   -9   19    6 o  444.980  111.940  498.529  194.209  498.529  194.209   0.0000   0.0000  444.980  111.940  ?   ?       ?      ? 
1 1 1   -9   19    7 o  348.857   69.585  292.547   98.015  329.720  150.669  265.274  129.055  365.619  101.829  332.095   94.863 33.52457 139.1695 
1 1 1   -9   19    8 o  277.360   64.934  180.752   81.364  174.143  127.172  185.332  105.867  273.545   96.132  281.174   87.317 -7.628784 129.8676 
1 1 1   -9   19    9 o  169.003   51.168   19.753   55.179   18.830  104.452   20.110   64.988  183.781   79.450  154.225   64.501 29.55612 102.3362 
1 1 1   -9   19   10 o  174.368   68.229   49.538   67.402   0.0000   0.0000   49.538   67.402  ?   ?   174.368   68.229      ?      ? 
1 1 1   -9   19   11 o  218.124   60.210  -6.3117   47.393  295.582  164.838 -33.5158   49.482  328.546  109.622  107.702   49.838 220.8441 120.4195 
1 1 1   -9   19   12 o  194.061   55.002   44.122   71.665 -67.1880  109.898  126.477   94.530  154.529   72.423  233.592   82.800 -79.06261 110.0042 
1 1 1   -9   19   13 o  235.716   56.847  112.602   70.672  224.548  104.022   16.632   96.314  298.949   85.089  172.483   75.407 126.4661 113.6942 
1 1 1   -9   19   14 o  283.106   60.083  205.788   79.051  299.297  109.179  102.747  114.609  347.125   81.918  219.088   87.916 128.0369 120.1653 
1 1 1   -9   19   15 o  458.352   68.151  602.172  110.189  660.790  131.257  462.258  202.786  543.596   61.875  373.108  121.450 170.4889 136.3029 
1 1 1   -9   19   16 o  215.216   56.514   76.321   73.521  207.387  107.485 -38.9191  100.786  278.254   88.212  152.178   70.667 126.0759 113.0272 
1 1 1   -9   19   17 o  412.140   64.505  518.200  103.105  619.357  124.748  300.125  183.162  524.550   60.942  299.731  113.709 224.8184 129.0098 
1 1 1   -9   19   18 o  546.315   78.703  999.213  134.605  1059.82  150.350  754.477  302.129  691.892   55.685  400.738  147.227 291.1539 157.4053 
1 1 1   -9   19   19 o  449.317   72.607  644.112  114.532  673.751  130.111  542.096  241.385  541.719   61.547  356.915  131.525 184.8036 145.2137 
1 1 1   -9   19   20 o  232.629  111.916  133.098  298.728  133.098  298.728   0.0000   0.0000  232.629  111.916  ?   ?       ?      ? 
1 1 1   -9   19   21 o  209.450   60.131  118.481   89.022  181.772  101.493 -92.6364  185.363  246.500   85.921  172.399   84.145 74.10110 120.2617 
1 1 1   -9   19   22 o  359.764   30.022  267.117   42.148  267.117   42.148   0.0000   0.0000  359.764   30.022  ?   ?       ?      ? 
1 1 1   -9   19   23 f  259.177   65.678  229.323   77.886  223.464   82.137  281.570  245.281  285.134   73.386  233.220  108.945 51.91446 131.3569 
1 1 1   -9   19   24 o  157.939   47.337   42.008   20.810   42.911   20.915 -47.4961  208.242  139.106   37.621  176.772   86.878 -37.66560 94.67394 
1 1 1   -9   19   25 o  211.626   46.527  120.479   30.074  123.206   30.477   19.413  185.556  242.421   32.216  180.831   87.300 61.59027 93.05472 
1 1 1   -9   19   26 o  135.484   47.067   6.1726   15.995   4.9402   16.088  112.511  149.440   77.547   32.233  193.421   88.442 -115.8734 94.13306 
1 1 1   -9   20    1 o  585.341   89.126  787.646  203.584  787.646  203.584   0.0000   0.0000  585.341   89.126  ?   ?       ?      ? 
1 1 1   -9   20    2 o  280.363   55.691  177.329   68.010  264.208   97.577   95.251   94.842  341.486   75.251  219.240   82.118 122.2454 111.3825 
1 1 1   -9   20    3 o  860.667  109.647  1847.84  368.268  1847.84  368.268   0.0000   0.0000  860.667  109.647  ?   ?       ?      ? 
1 1 1   -9   20    4 o  544.064  131.987  835.226  277.365  835.226  277.365   0.0000   0.0000  544.064  131.987  ?   ?       ?      ? 
1 1 1   -9   20    5 o  161.926   47.185   24.451   45.958   51.832   79.179   10.539   56.438  183.714   73.299  140.137   59.439 43.57704 94.36970 
1 1 1   -9   20    6 o  610.187  150.616  1174.19  356.475   0.0000   0.0000  1174.19  356.475  ?   ?   610.187  150.616      ?      ? 
1 1 1   -9   20    7 o  362.953   99.392  337.872  144.911   0.0000   0.0000  337.872  144.911  ?   ?   362.953   99.392      ?      ? 
1 1 1   -9   20    8 o  329.837   95.626  278.623  130.248   0.0000   0.0000  278.623  130.248  ?   ?   329.837   95.626      ?      ? 
1 1 1   -9   20    9 o  148.823   48.433 -17.3284   48.180  -5.9301  118.788 -19.5728   52.711  179.650   80.822  117.996   53.391 61.65364 96.86534 
1 1 1   -9   20   10 o  197.440   59.340   55.129   76.655  -0.6818  148.857   75.270   89.424  196.256   89.167  198.624   78.321 -2.368317 118.6799 
1 1 1   -9   20   11 o  562.236   73.262  731.419  160.742  731.419  160.742   0.0000   0.0000  562.236   73.262  ?   ?       ?      ? 
1 1 1   -9   20   12 o  232.156   63.994  128.233   84.685   97.050  127.658  152.742  113.173  218.968   90.888  245.343   90.112 -26.37419 127.9873 
1 1 1   -9   20   13 o  196.368   56.437   31.134   70.457  167.784  117.288 -46.0184   88.130  252.011   91.860  140.724   65.592 111.2865 112.8741 
1 1 1   -9   20   14 o  197.478   58.916   65.533   77.951   43.871  107.811   89.264  112.841  186.425   80.655  208.531   85.903 -22.10608 117.8328 
1 1 1   -9   20   15 o  255.783   63.104  180.545   83.099  230.295  105.694  100.006  134.479  293.964   86.406  217.602   91.992 76.36145 126.2085 
1 1 1   -9   20   16 o  252.871   63.425  181.358   84.683  226.115  103.354   89.938  147.712  290.567   85.454  215.176   93.747 75.39131 126.8499 
1 1 1   -9   20   17 o  269.302   60.838  215.816   86.882  298.403  106.024   46.997  151.587  338.504   81.286  200.100   90.542 138.4041 121.6767 
1 1 1   -9   20   18 o  228.909   73.736  131.604  137.177  128.112  270.413  132.814  159.179  232.944  110.512  224.874   97.647 8.070145 147.4712 
1 1 1   -9   20   19 o  159.931   53.661 -54.4590   80.817 -102.5629   97.304   52.526  145.112  127.806   62.059  192.055   87.559 -64.24941 107.3217 
1 1 1   -9   20   20 o  130.694   61.137 -31.2313   77.689 -31.2313   77.689   0.0000   0.0000  130.694   61.137  ?   ?       ?      ? 
1 1 1   -9   20   21 o  169.363   53.766   45.994   63.842   55.162   69.483  -3.6875  161.757  163.429   67.376  175.296   83.808 -11.86722 107.5329 
1 1 1   -9   20   22 o  208.410   62.036  128.748   75.444  127.953   80.821  134.132  210.359  210.307   76.316  206.512   97.826 3.795731 124.0729 
1 1 1   -9   20   23 o  244.679   51.342  167.093   33.237  167.899   33.613  131.636  222.837  284.337   30.293  205.021   98.113 79.31587 102.6834 
1 1 1   -9   20   24 o  155.798   44.912   45.454   22.327   46.833   22.542 -25.9373  162.203  144.515   39.046  167.081   80.893 -22.56593 89.82355 
1 1 1   -9   20   25 o  213.057   48.477  109.885   28.726  108.990   29.202  136.693  159.739  227.034   32.960  199.079   91.180 27.95479 96.95448 
1 1 1   -9   21    1 o  167.539   56.338 -45.2691   70.982 -69.9902  185.643 -41.0361   76.819  199.875   93.819  135.203   62.399 64.67143 112.6752 
1 1 1   -9   21    2 o  273.862   76.667  149.762   93.421  295.391  244.121  124.775  101.118  313.448  127.410  234.276   85.309 79.17163 153.3331 
1 1 1   -9   21    3 o  151.968   45.911   14.322   46.830   23.035   76.628   9.1273   59.164  163.262   69.254  140.674   60.293 22.58806 91.82195 
1 1 1   -9   21    4 o  221.129   58.067  105.389   65.796  123.253  103.582   93.305   85.191  232.597   86.073  209.660   77.965 22.93712 116.1345 
1 1 1   -9   21    5 o  309.866   69.946  254.884   94.779  269.509  144.826  243.928  125.350  314.288  102.652  305.445   95.038 8.842834 139.8919 
1 1 1   -9   21    6 o  262.521   64.368  161.886   79.182  237.834  129.968  117.056   99.853  298.505   97.232  226.538   84.375 71.96767 128.7369 
1 1 1   -9   21    7 o  136.001   44.444 -44.5674   44.842   26.522   95.091 -64.8970   50.851  175.593   75.859   96.409   46.329 79.18385 88.88760 
1 1 1   -9   21    8 o  291.374   71.591  216.313   94.085  319.780  168.296  169.276  113.473  326.230  110.758  256.518   90.740 69.71170 143.1823 
1 1 1   -9   21    9 o  312.586   76.934  275.261  108.518  366.987  195.458  234.388  130.474  334.541  119.011  290.631   97.527 43.90988 153.8672 
1 1 1   -9   21   10 o  305.777   78.344  280.289  115.045  336.332  205.542  254.721  138.828  313.947  120.130  297.607  100.597 16.34073 156.6874 
1 1 1   -9   21   11 o  261.834   72.887  198.835  115.430   95.165  204.831  247.081  139.731  232.637  105.258  291.031  100.852 -58.39362 145.7748 
1 1 1   -9   21   12 o  256.545   67.522  177.551   93.617  243.569  132.988  112.700  131.808  290.160   98.457  222.930   92.428 67.23055 135.0434 
1 1 1   -9   21   13 o  180.070   54.875   33.295   71.268   80.991  103.614  -9.5308   98.182  200.692   82.453  159.447   72.433 41.24489 109.7494 
1 1 1   -9   21   14 o  198.870   57.310   78.659   66.859   66.305   81.862  103.409  115.870  184.377   74.191  213.363   87.371 -28.98555 114.6210 
1 1 1   -9   21   15 o  189.113   56.357   63.963   65.700   62.017   76.955   69.195  126.176  178.736   71.929  199.489   86.780 -20.75208 112.7145 
1 1 1   -9   21   16 o  198.201   66.657   13.773  123.316 -80.6314  290.622   34.503  136.183  207.985  102.301  188.417   85.482 19.56882 133.3141 
1 1 1   -9   21   17 o  274.568   92.698  232.651  117.880  232.651  117.880   0.0000   0.0000  274.568   92.698  ?   ?       ?      ? 
1 1 1   -9   21   18 o  165.880   72.494   39.848   88.943   39.848   88.943   0.0000   0.0000  165.880   72.494  ?   ?       ?      ? 
1 1 1   -9   21   19 o  150.814   47.414   21.303   55.697   44.499   65.631 -38.3996  105.292  156.003   64.995  145.626   69.050 10.37750 94.82721 
1 1 1   -9   21   20 o  160.828   47.645   48.462   53.375   79.775   62.327 -37.6605  103.365  178.152   66.601  143.505   68.152 34.64626 95.29060 
1 1 1   -9   21   21 o  190.943   55.888   95.508   62.940   91.456   72.482  107.930  126.908  185.935   71.292  195.950   86.090 -10.01479 111.7762 
1 1 1   -9   21   22 o  262.573   63.680  231.487   74.778  223.421   83.199  265.391  170.578  281.786   74.518  243.359  103.284 38.42767 127.3595 
1 1 1   -9   21   23 o  186.794   56.238   89.958   63.135   86.148   69.798  107.107  148.076  180.315   69.741  193.274   88.244 -12.95839 112.4758 
1 1 1   -9   21   24 o  223.442   45.520  145.746   31.847  149.021   32.496   66.189  160.162  266.273   31.273  180.610   85.500 85.66281 91.03971 
1 1 1   -9   22    1 o  166.221   52.790  -2.7097   71.097   7.7424   94.204 -16.5423  108.372  166.015   73.499  166.428   75.795 -0.4128265 105.5792 
1 1 1   -9   22    2 o  126.170   41.545 -66.8229   54.167   2.2267   67.962 -187.0750   89.688  143.306   62.979  109.034   54.199 34.27203 83.09004 
1 1 1   -9   22    3 o  176.243   51.837   31.580   60.635   90.692   91.187 -15.2739   81.184  205.796   79.681  146.690   66.328 59.10616 103.6749 
1 1 1   -9   22    4 o  188.335   52.978   43.928   60.157  132.241   97.018 -11.2349   76.677  232.290   83.718  144.380   64.947 87.90942 105.9561 
1 1 1   -9   22    5 o  441.843   70.451  536.886  125.951  764.723  184.786  339.189  172.130  553.954   85.480  329.733  112.012 224.2214 140.9024 
1 1 1   -9   22    6 o  172.054   53.021   25.745   60.329   40.696  116.792   20.304   70.456  190.199   83.098  153.910   65.876 36.28896 106.0419 
1 1 1   -9   22    7 o  194.306   58.097   61.237   70.752   67.384  132.084   58.764   83.786  205.806   89.157  182.806   74.513 22.99960 116.1947 
1 1 1   -9   22    8 o  169.746   53.869 -17.3073   60.308  102.436  131.388 -49.2701   67.882  218.876   91.640  120.616   56.653 98.26050 107.7383 
1 1 1   -9   22    9 o  225.246   65.654  119.019   90.523   65.356  181.955  136.669  104.353  218.378   98.970  232.115   86.294 -13.73706 131.3078 
1 1 1   -9   22   10 o  300.496   80.054  269.472  116.241  409.138  227.023  219.845  135.326  326.596  125.928  274.397   98.876 52.19949 160.1074 
1 1 1   -9   22   11 o  222.836   69.736   44.445   86.624  300.421  222.960  -1.0630   94.009  286.392  119.597  159.280   71.757 127.1122 139.4721 
1 1 1   -9   22   12 o  229.508   72.577  105.439  109.730  199.880  258.030   84.589  121.239  253.918  116.146  205.098   87.061 48.82040 145.1534 
1 1 1   -9   22   13 o  258.027   68.950  160.776   85.494  103.465   99.031  328.472  169.401  207.762   82.263  308.291  110.675 -100.5284 137.8990 
1 1 1   -9   22   14 o  212.292  104.894 -68.9516  317.554 -68.9516  317.554   0.0000   0.0000  212.292  104.894  ?   ?       ?      ? 
1 1 1   -9   22   15 o  248.862   81.277  173.917   90.791  173.917   90.791   0.0000   0.0000  248.862   81.277  ?   ?       ?      ? 
1 1 1   -9   22   16 f  189.350   55.894   83.128   72.384  118.795   86.872   2.1412  130.906  208.248   78.476  170.453   79.613 37.79530 111.7882 
1 1 1   -9   22   17 o  180.373   55.328   66.198   67.245   59.418   79.603   83.093  125.658  169.917   71.247  190.829   84.667 -20.91287 110.6551 
1 1 1   -9   22   18 o  191.454   56.631   88.876   63.237   75.163   72.504  132.467  129.273  176.046   70.172  206.863   88.904 -30.81697 113.2611 
1 1 1   -9   22   19 f  140.168   46.062  -5.8128   55.338  -0.4639   64.447 -20.8260  107.970  130.426   59.024  149.911   70.732 -19.48480 92.12443 
1 1 1   -9   22   20 o  156.291   49.273   33.929   56.131   43.828   63.604  -0.9262  119.349  152.851   63.858  159.732   75.056 -6.880875 98.54569 
1 1 1   -9   22   21 o  186.512   55.011   94.746   65.097  108.598   72.509   37.195  147.795  196.688   72.145  176.335   83.065 20.35312 110.0213 
1 1 1   -9   22   22 o  168.269   54.732   40.302   65.118   28.184   71.373  100.487  159.065  146.154   64.377  190.384   88.531 -44.22925 109.4631 
1 1 1   -9   23    1 o  162.908   52.407 -10.4728   71.165 -21.2518   91.143   6.3623  113.905  150.798   68.996  175.018   78.903 -24.22035 104.8150 
1 1 1   -9   23    2 o  313.310   73.654  304.837  108.671  339.578  138.113  248.370  176.079  346.311   97.863  280.308  110.102 66.00287 147.3081 
1 1 1   -9   23    3 o  428.065   82.760  594.365  143.458  622.429  184.166  551.060  228.777  468.178  103.548  387.951  129.130 80.22800 165.5200 
1 1 1   -9   23    4 o  139.738   45.895 -42.3329   59.574 -12.2748   90.549 -65.2740   79.106  153.415   69.642  126.062   59.796 27.35374 91.79042 
1 1 1   -9   23    5 o  174.370   52.512   17.202   62.471  103.609  103.395 -32.4754   78.398  212.525   84.085  136.216   62.926 76.30846 105.0242 
1 1 1   -9   23    6 o  208.100   59.066   91.313   72.042  128.806  113.980   66.369   92.968  226.889   88.740  189.311   77.977 37.57707 118.1324 
1 1 1   -9   23    7 o  199.773   61.031   61.956   77.388  104.590  154.471   47.669   89.419  221.733   96.237  177.814   75.084 43.91870 122.0622 
1 1 1   -9   23    8 o  170.754   56.426 -15.6518   70.755   41.007  167.328 -27.9885   78.079  204.646   93.579  136.862   63.075 67.78406 112.8519 
1 1 1   -9   23    9 o  271.530   79.222  203.657  115.638  416.802  249.639  145.427  130.482  310.363  127.801  232.696   93.655 77.66743 158.4437 
1 1 1   -9   23   10 f  197.281   65.326   25.568   99.135   63.164  243.573   18.104  108.530  222.056  105.212  172.505   77.461 49.55060 130.6517 
1 1 1   -9   23   11 o  214.616  103.697   17.535  263.188   17.535  263.188   0.0000   0.0000  214.616  103.697  ?   ?       ?      ? 
1 1 1   -9   23   12 o  264.019  123.267  363.717  313.352  363.717  313.352   0.0000   0.0000  264.019  123.267  ?   ?       ?      ? 
1 1 1   -9   23   13 o  254.145   66.188  213.658   90.933  255.821  118.067  152.182  142.566  285.210   92.662  223.080   94.536 62.13043 132.3753 
1 1 1   -9   23   14 o  162.749   52.880   9.6661   77.167   34.677   98.898 -29.2610  123.381  167.096   74.564  158.402   75.003 8.693497 105.7600 
1 1 1   -9   23   15 o  127.343   44.343 -126.3905   74.317 -139.1688   94.711 -105.9166  119.884  116.112   57.356  138.573   67.643 -22.46069 88.68600 
1 1 1   -9   23   16 o  166.881   53.598  -9.5088   71.674 -81.9909   86.818  145.621  127.012  121.638   58.962  212.124   89.524 -90.48544 107.1962 
1 1 1   -9   23   17 o  184.454   56.736   78.573   70.378   69.543   82.313  103.117  135.701  173.808   72.632  195.101   87.181 -21.29243 113.4720 
1 1 1   -9   23   18 o  196.151   53.430  109.922   69.549  163.994   79.368 -68.9523  144.354  237.494   75.855  154.808   75.267 82.68604 106.8606 
1 1 1   -9   23   19 o  182.676   73.632   88.052   80.784   88.052   80.784   0.0000   0.0000  182.676   73.632  ?   ?       ?      ? 
1 1 1   -9   23   20 o  202.985   59.270  137.451   85.875  180.167   96.386 -26.9728  189.105  234.167   83.545  171.804   84.096 62.36313 118.5402 
1 1 1   -9   23   21 o  260.835  132.715  2605.68  736.131   0.0000   0.0000  2605.68  736.131  ?   ?   260.835  132.715      ?      ? 
1 1 1   -9   24    1 o  184.956   59.194   21.444   92.048   59.945  111.728 -59.9042  162.404  191.518   82.484  178.393   84.923 13.12517 118.3876 
1 1 1   -9   24    2 o  159.796   53.337 -46.7255   83.936 -18.2120  100.907 -110.7613  151.219  156.660   72.016  162.932   78.695 -6.271240 106.6734 
1 1 1   -9   24    3 o  184.814   58.569   17.998   93.608   90.904  110.466 -167.6930  176.296  204.393   84.668  165.235   80.948 39.15811 117.1377 
1 1 1   -9   24    4 o  220.640   65.650  118.860   94.702  123.603  118.447  110.457  157.674  220.765   89.098  220.515   96.442 0.2498779 131.2996 
1 1 1   -9   24    5 o  165.626   74.832   6.8883  103.104   6.8883  103.104   0.0000   0.0000  165.626   74.832  ?   ?       ?      ? 
1 1 1   -9   24    6 o  275.404   97.670  235.276  131.548  235.276  131.548   0.0000   0.0000  275.404   97.670  ?   ?       ?      ? 
1 1 1   -9   24    7 o  281.388  100.820  257.529  140.511  257.529  140.511   0.0000   0.0000  281.388  100.820  ?   ?       ?      ? 
1 1 1   -9   24    8 o  188.379   83.886   53.762  124.477   53.762  124.477   0.0000   0.0000  188.379   83.886  ?   ?       ?      ? 
1 1 1   -9   24    9 o  216.217   69.513  100.816  107.346  225.493  238.063   68.997  120.267  241.743  110.938  190.691   83.792 51.05191 139.0264 
1 1 1   -9   24   10 o  246.240   75.940  238.597  134.876  241.372  274.733  237.716  154.817  237.641  112.341  254.839  102.209 -17.19791 151.8790 
1 1 1   -9   24   11 o  199.137   66.442   60.222  107.248  184.280  255.499   33.688  118.162  224.304  106.706  173.969   79.196 50.33495 132.8839 
1 1 1   -9   24   12 o  186.978   63.409   31.183   98.211  125.517  266.216   16.321  105.665  211.953  102.857  162.003   74.184 49.94951 126.8183 
1 1 1   -9   24   13 o  254.656  123.706  608.085  387.699  608.085  387.699   0.0000   0.0000  254.656  123.706  ?   ?       ?      ? 
1 1 1   -9   24   14 o  218.469   60.141  116.300   87.632  289.669  126.708 -42.6626  121.329  285.853   96.108  151.086   72.327 134.7668 120.2829 
1 1 1   -9   24   15 o  266.036   69.647  286.613  103.861  327.274  129.267  212.559  174.451  305.297   96.733  226.774  100.228 78.52296 139.2944 
1 1 1   -9   24   16 o  191.869   60.465   97.361   92.937  124.291  110.267   31.307  172.695  202.089   84.225  181.649   86.776 20.44011 120.9293 
1 1 1   -9   24   17 o  143.645   51.332 -191.0821   94.934 -258.6175  109.705   10.269  189.425  107.675   54.392  179.615   87.072 -71.93981 102.6648 
1 1 1   -9   24   18 o  164.111   55.149   1.2517   97.389   57.096  109.920 -202.6230  210.025  171.908   77.505  156.314   78.477 15.59352 110.2979 
1 1 1   -9   24   19 o  237.183   88.925  205.909  111.272  205.909  111.272   0.0000   0.0000  237.183   88.925  ?   ?       ?      ? 
1 1 1   -9   25    1 o  185.859   82.310   57.069  118.228   57.069  118.228   0.0000   0.0000  185.859   82.310  ?   ?       ?      ? 
1 1 1   -9   25    2 o  284.149   75.173  320.315  125.773  379.730  152.454  193.700  222.552  333.342  104.990  234.956  107.617 98.38583 150.3468 
1 1 1   -9   25    3 o  228.625   69.277  164.978  108.702  170.476  130.732  152.661  195.671  233.027   93.760  224.223  102.011 8.804153 138.5538 
1 1 1   -9   25    4 o  170.663   55.410 -26.2585   97.029   98.374  115.582 -323.7209  178.563  199.902   84.936  141.425   71.183 58.47714 110.8206 
1 1 1   -9   25    5 f  192.368   60.534   61.257   98.281  141.510  126.926 -58.9082  155.314  217.964   90.562  166.772   80.350 51.19258 121.0685 
1 1 1   -9   25    6 o  222.651   65.793  151.766   99.595  222.078  138.148   75.677  143.712  251.076   97.835  194.225   87.996 56.85034 131.5868 
1 1 1   -9   25    7 o  143.639   48.626 -58.7658   76.436 -40.8592  116.789 -72.1834  101.096  151.951   72.244  135.328   65.105 16.62300 97.25181 
1 1 1   -9   25    8 o  162.616   53.416   3.4535   82.162 -38.5794  129.306   31.914  106.402  157.559   75.218  167.673   75.864 -10.11458 106.8319 
1 1 1   -9   25    9 o  190.292   59.990   79.115   89.339  127.921  137.208   43.193  117.710  206.254   90.092  174.329   79.238 31.92436 119.9801 
1 1 1   -9   25   10 o  157.542   55.132 -74.5529   92.132 -14.3978  215.815 -87.9590  101.882  184.368   90.159  130.717   63.480 53.65099 110.2649 
1 1 1   -9   25   11 o  216.005   69.783  169.943  125.338  190.326  256.104  163.523  143.727  215.772  103.761  216.238   93.340 -0.4654083 139.5663 
1 1 1   -9   25   12 o  164.763   57.567 -48.1318  101.768 -57.9909  261.798 -46.3768  110.454  184.980   92.056  144.546   69.147 40.43433 115.1333 
1 1 1   -9   25   13 o  184.038   63.926   8.1211  118.206  153.766  300.425 -18.5568  128.578  209.082  103.066  158.994   75.654 50.08833 127.8518 
1 1 1   -9   25   14 o  185.908   60.835   56.609  108.848 -54.8687  159.726  153.267  148.730  162.076   78.887  209.739   92.630 -47.66289 121.6691 
1 1 1   -9   25   15 o  185.883   61.187   60.224  110.348  158.654  156.996 -35.8817  155.132  208.893   93.527  162.872   78.917 46.02092 122.3733 
1 1 1   -9   25   16 o  152.076   73.115 -34.4086  127.011 -34.4086  127.011   0.0000   0.0000  152.076   73.115  ?   ?       ?      ? 
1 1 1   -9   25   17 o  391.433   94.753  520.656  143.185  520.656  143.185   0.0000   0.0000  391.433   94.753  ?   ?       ?      ? 
1 1 1   -9   26    1 o  226.251   67.133  160.647   89.243  129.245  102.233  261.206  182.943  208.309   83.230  244.194  105.358 -35.88440 134.2666 
1 1 1   -9   26    2 o  183.499   58.361   59.962   75.225   42.059   85.367  122.169  159.126  162.465   71.011  204.532   92.637 -42.06699 116.7224 
1 1 1   -9   26    3 o  184.625   58.212   40.101   70.500  -3.6954   79.838  195.171  150.229  140.449   64.376  228.801   97.006 -88.35204 116.4239 
1 1 1   -9   26    4 o  155.906   49.994  -0.1977   73.430   73.011   85.911 -198.6934  141.463  177.243   74.147  134.569   67.082 42.67397 99.98848 
1 1 1   -9   26    5 o  193.682   59.297   89.980   92.278  167.997  114.199 -56.7933  156.637  224.810   88.552  162.553   78.887 62.25696 118.5948 
1 1 1   -9   26    6 o  138.848   48.078 -119.8027   88.808 -49.7350  121.740 -199.5019  129.837  149.688   71.867  128.008   63.884 21.67978 96.15577 
1 1 1   -9   26    7 o  167.323   55.652   5.9410   94.282 -40.7226  140.986   43.691  126.809  159.425   76.745  175.222   80.616 -15.79704 111.3048 
1 1 1   -9   26    8 o  182.193   59.511   58.684   98.963   45.585  151.713   68.385  130.565  181.203   84.978  183.182   83.336 -1.978897 119.0212 
1 1 1   -9   26    9 o  216.141   69.157  177.430  124.374  166.111  218.257  182.874  151.352  211.368   99.985  220.915   95.571 -9.547760 138.3145 
1 1 1   -9   26   10 f  197.861   87.294  114.993  131.756   0.0000   0.0000  114.993  131.756  ?   ?   197.861   87.294      ?      ? 
1 1 1   -9   26   11 o  179.069   81.156   64.795  122.356   0.0000   0.0000   64.795  122.356  ?   ?   179.069   81.156      ?      ? 
1 1 1   -9   26   12 o  243.935   76.107  324.960  154.558  178.093  250.502  415.236  196.397  208.595  100.880  279.275  113.985 -70.67911 152.2147 
1 1 1   -9   26   13 o  234.955   75.386  297.684  156.773  147.846  226.212  436.161  217.466  202.003   97.234  267.906  115.229 -65.90321 150.7725 
1 1 1   -9   26   14 o  189.915   64.545   76.740  141.041 -50.5203  197.107  210.268  201.903  168.083   82.974  211.748   98.891 -43.66516 129.0891 
1 1 1   -9   27    1 f  158.306   52.953  -4.0069   81.529   15.675   94.423 -61.6757  161.627  154.356   70.472  162.256   79.057 -7.899277 105.9069 
1 1 1   -9   27    2 o  178.802   59.910   30.291  112.001   52.738  155.962   6.3881  160.941  183.253   86.009  174.351   83.421 8.902832 119.8196 
1 1 1   -9   27    3 o  260.363   79.640  367.017  148.544  362.194  206.391  372.202  213.958  260.641  112.181  260.084  113.073 0.5567627 159.2798 
1 1 1   -9   27    4 o  205.510   66.011  135.691  115.736  186.372  166.680   88.507  160.827  218.869   97.290  192.151   89.242 26.71780 132.0210 
1 1 1   -9   27    5 o  170.405   57.727  -2.9329  108.997   9.5776  163.929 -12.8465  145.926  175.090   83.885  165.720   79.329 9.369843 115.4549 
1 1 1   -9   27    6 o  204.736   94.162  140.669  172.802   0.0000   0.0000  140.669  172.802  ?   ?   204.736   94.162      ?      ? 
1 1 1   -9   27    7 o  152.237   53.288 -108.7018  106.466 -72.9747  190.981 -124.8111  128.242  167.434   82.466  137.041   67.512 30.39343 106.5757 
1 1 1   -9   27    8 o  241.521   72.728  269.475  120.215  259.625  165.791  280.396  174.566  239.664  101.776  243.378  103.918 -3.713837 145.4556 
1 1 1   -9   27    9 o  134.057   46.545 -100.7424   80.839 -98.5989  131.620 -102.0408  102.437  142.082   69.675  126.031   61.734 16.05080 93.08948 
1 1 1   -9   27   10 o  151.915   51.776 -33.4370   88.793 -34.3722  145.989 -32.8880  111.862  158.269   76.655  145.560   69.620 12.70895 103.5515 
1 1 1   -9   27   11 o  191.500   62.179   89.317   99.955  234.517  170.446   13.208  123.401  222.768   98.733  160.232   75.607 62.53694 124.3572 
1 1 1   -9   28    1 o  246.199   75.211  266.019  131.406  529.674  216.141  111.427  165.506  298.815  120.442  193.582   90.114 105.2332 150.4222 
1 1 1   -9   28    2 o  179.151   59.870   9.0783  106.681  204.008  171.692 -113.5063  136.154  217.085   97.457  141.216   69.567 75.86978 119.7395 
1 1 1   -9   28    3 o  272.765  107.878 -132.8361  114.543  362.051  170.127 -543.1823  154.916  272.765  107.878  ?   ?       ?      ? 
1 1 1   -9   28    4 o  191.713   84.620 -157.9266   99.286  112.705  123.947 -642.5278  165.859  191.713   84.620  ?   ?       ?      ? 
1 1 1   -9   28    5 o  260.932   77.408  353.719  129.196  278.405  163.079  480.658  211.720  241.539  101.663  280.325  116.759 -38.78531 154.8162 
1 1 1   -9   28    6 o  356.827  100.148  805.484  183.820  540.267  211.680  1618.78  370.685  298.631  119.606  415.023  160.664 -116.3921 200.2962 
1 1 1   -8    0    1 o  1503.72   49.468  4530.31  408.501  4530.31  408.501  4530.31  408.501  1503.72   69.959  1503.72   69.959 0.000000 0.000000 
1 1 1   -8    0    2 o  223.100   16.518  100.492   19.827  100.492   19.827  100.492   19.827  223.100   23.360  223.100   23.360 0.000000 0.000000 
1 1 1   -8    0    3 o  605.330   19.401  721.753   64.510  721.753   64.510  721.753   64.510  605.330   27.437  605.330   27.437 0.000000 0.000000 
1 1 1   -8    0    4 o  1306.28   30.808  3370.28  221.536  3370.28  221.536  3370.28  221.536  1306.28   43.569  1306.28   43.569 0.000000 0.000000 
1 1 1   -8    0    5 o  750.525   21.453  1109.62   88.527  1109.62   88.527  1109.62   88.527  750.525   30.338  750.525   30.338 0.000000 0.000000 
1 1 1   -8    0    6 o  1469.99   48.866  4357.50  394.438  4357.50  394.438  4357.50  394.438  1469.99   69.107  1469.99   69.107 0.000000 0.000000 
1 1 1   -8    0    7 o  120.376   21.400   33.227   12.296   33.227   12.296   33.227   12.296  120.376   30.264  120.376   30.264 0.000000 0.000000 
1 1 1   -8    0    8 f  660.966   20.231  862.514   73.482  862.514   73.482  862.514   73.482  660.966   28.611  660.966   28.611 -0.000000 0.000000 
1 1 1   -8    0    9 o  178.893   18.122   66.492   16.827   66.492   16.827   66.492   16.827  178.893   25.628  178.893   25.628 -0.000000 0.000000 
1 1 1   -8    0   10 f  155.611   19.267   51.641   15.028   51.641   15.028   51.641   15.028  155.611   27.247  155.611   27.247 0.000000 0.000000 
1 1 1   -8    0   11 o  450.971   17.779  402.702   43.934  402.702   43.934  402.702   43.934  450.971   25.143  450.971   25.143 -0.000000 0.000000 
1 1 1   -8    0   12 o  882.018   23.585  1537.55  114.433  1537.55  114.433  1537.55  114.433  882.018   33.355  882.018   33.355 0.000000 0.000000 
1 1 1   -8    0   13 o  175.373   18.576   64.159   16.790   64.159   16.790   64.159   16.790  175.373   26.271  175.373   26.271 -0.000000 0.000000 
1 1 1   -8    0   14 o  472.921   25.973  447.693   66.848  447.693   66.848  447.693   66.848  472.921   36.731  472.921   36.731 -0.000000 0.000000 
1 1 1   -8    0   15 o  1607.46   36.653  5131.62  324.394  5131.62  324.394  5131.62  324.394  1607.46   51.835  1607.46   51.835 0.000000 0.000000 
1 1 1   -8    0   16 o  526.919   18.691  547.736   54.042  547.736   54.042  547.736   54.042  526.919   26.433  526.919   26.433 -0.000000 0.000000 
1 1 1   -8    0   17 o  491.585   18.379  477.031   49.542  477.031   49.542  477.031   49.542  491.585   25.991  491.585   25.991 0.000000 0.000000 
1 1 1   -8    0   18 o  161.640   22.349   56.658   17.756   56.658   17.756   56.658   17.756  161.640   31.606  161.640   31.606 -0.000000 0.000000 
1 1 1   -8    0   19 o  433.578   25.491  376.836   60.025  376.836   60.025  376.836   60.025  433.578   36.049  433.578   36.049 -0.000000 0.000000 
1 1 1   -8    0   20 o  237.511   19.803  115.047   25.010  115.047   25.010  115.047   25.010  237.511   28.006  237.511   28.006 -0.000000 0.000000 
1 1 1   -8    0   21 f  711.679   21.430  999.105   83.823  999.105   83.823  999.105   83.823  711.679   30.307  711.679   30.307 -0.000000 0.000000 
1 1 1   -8    0   22 o  170.252   23.967   63.163   19.995   63.163   19.995   63.163   19.995  170.252   33.894  170.252   33.894 0.000000 0.000000 
1 1 1   -8    0   23 o  528.102   19.147  551.185   55.470  551.185   55.470  551.185   55.470  528.102   27.078  528.102   27.078 0.000000 0.000000 
1 1 1   -8    0   24 o  141.805   28.359   47.924   19.221   47.924   19.221   47.924   19.221  141.805   40.106  141.805   40.106 -0.000000 0.000000 
1 1 1   -8    0   25 o  698.640   21.317  965.934   81.844  965.934   81.844  965.934   81.844  698.640   30.147  698.640   30.147 0.000000 0.000000 
1 1 1   -8    0   26 o  496.266   28.938  499.489   78.016  499.489   78.016  499.489   78.016  496.266   40.925  496.266   40.925 0.000000 0.000000 
1 1 1   -8    0   27 o  247.929   20.511  126.144   27.060  126.144   27.060  126.144   27.060  247.929   29.007  247.929   29.007 0.000000 0.000000 
1 1 1   -8    0   28 o  382.499   19.545  293.621   40.762  293.621   40.762  293.621   40.762  382.499   27.640  382.499   27.640 0.000000 0.000000 
1 1 1   -8    0   29 o  675.263   21.486  911.090   79.702  911.090   79.702  911.090   79.702  675.263   30.386  675.263   30.386 0.000000 0.000000 
1 1 1   -8    0   30 o  282.416   26.768  168.037   39.616  168.037   39.616  168.037   39.616  282.416   37.855  282.416   37.855 -0.000000 0.000000 
1 1 1   -8    0   31 o  130.359   32.950   45.198   21.645   45.198   21.645   45.198   21.645  130.359   46.598  130.359   46.598 0.000000 0.000000 
1 1 1   -8    0   32 o  455.337   20.537  418.773   51.128  418.773   51.128  418.773   51.128  455.337   29.044  455.337   29.044 0.000000 0.000000 
1 1 1   -8    0   33 o  484.752   21.287  477.002   56.444  477.002   56.444  477.002   56.444  484.752   30.104  484.752   30.104 -0.000000 0.000000 
1 1 1   -8    0   34 o   72.326   29.853   13.778   19.799   13.778   19.799   13.778   19.799   72.326   42.218   72.326   42.218 -0.000000 0.000000 
1 1 1   -8    0   35 o   75.787   30.650   16.128   20.225   16.128   20.225   16.128   20.225   75.787   43.345   75.787   43.345 0.000000 0.000000 
1 1 1   -8    0   36 o  150.067   58.265   85.050   69.498   85.050   69.498   85.050   69.498  150.067   82.400  150.067   82.400 -0.000000 0.000000 
1 1 1   -8    1    1 o  618.404   27.601  753.455   66.499  712.848   90.953  800.090   97.472  600.606   38.806  636.203   39.260 -35.59735 55.20193 
1 1 1   -8    1    2 f  1121.54   27.464  2486.63  120.201  2490.38  170.190  2482.90  169.790  1122.38   38.856  1120.71   38.823 1.674683 54.92766 
1 1 1   -8    1    3 o  1193.38   28.778  2820.49  134.019  2821.03  189.511  2819.95  189.553  1193.50   40.689  1193.26   40.706 0.2355957 57.55552 
1 1 1   -8    1    4 o  1191.09   28.765  2811.86  133.699  2829.71  190.162  2794.42  188.013  1194.78   40.785  1187.40   40.575 7.378418 57.53079 
1 1 1   -8    1    5 o  662.175   20.093  862.164   51.903  885.706   74.627  840.109   72.235  670.907   28.504  653.443   28.327 17.46393 40.18597 
1 1 1   -8    1    6 o  615.135   27.692  751.282   66.470  758.837   94.689  743.942   93.332  618.159   39.252  612.111   39.072 6.047974 55.38402 
1 1 1   -8    1    7 o  350.418   16.682  241.346   22.809  246.635   32.404  236.152   32.112  354.240   23.441  346.597   23.742 7.643036 33.36370 
1 1 1   -8    1    8 o  522.655   18.373  538.606   37.474  538.883   52.973  538.328   53.019  522.793   25.965  522.517   26.001 0.2766724 36.74598 
1 1 1   -8    1    9 o  312.925   16.535  192.863   20.186  199.853   28.727  186.046   28.370  318.559   23.108  307.290   23.658 11.26938 33.07091 
1 1 1   -8    1   10 o  209.001   16.409   86.110   13.365   91.840   18.994   80.492   18.809  215.948   22.539  202.055   23.854 13.89243 32.81797 
1 1 1   -8    1   11 o  555.872   18.801  610.371   40.782  606.093   57.432  614.723   57.920  553.912   26.569  557.832   26.607 -3.920105 37.60125 
1 1 1   -8    1   12 o  597.215   19.319  703.865   45.022  695.144   63.233  712.832   64.118  593.468   27.303  600.961   27.340 -7.493652 38.63879 
1 1 1   -8    1   13 o  805.979   22.311  1284.33   70.171  1276.37   98.791  1292.43   99.690  803.475   31.507  808.483   31.597 -5.007690 44.62167 
1 1 1   -8    1   14 o  442.962   25.035  388.583   43.274  386.373   60.811  390.850   61.594  441.710   35.279  444.215   35.531 -2.505035 50.07082 
1 1 1   -8    1   15 o  817.509   22.484  1317.94   71.711  1341.74  102.829  1295.40  100.056  824.648   31.953  810.371   31.639 14.27673 44.96727 
1 1 1   -8    1   16 o  270.291   16.871  143.352   17.780  151.699   25.367  135.292   24.928  278.055   23.378  262.528   24.332 15.52753 33.74279 
1 1 1   -8    1   17 f  1002.86   25.523  1987.88   99.884  1995.91  141.718  1979.94  140.802  1004.86   36.140  1000.86   36.050 3.994690 51.04579 
1 1 1   -8    1   18 o  358.521   17.389  252.382   24.325  255.157   34.205  249.542   34.600  360.540   24.311  356.501   24.870 4.038574 34.77850 
1 1 1   -8    1   19 o  843.685   32.655  1417.42  107.358  1359.84  147.076  1483.08  157.072  825.607   45.650  861.764   46.707 -36.15643 65.30998 
1 1 1   -8    1   20 o  604.571   19.846  719.496   46.815  710.444   65.566  728.910   66.867  600.711   27.969  608.430   28.162 -7.718933 39.69130 
1 1 1   -8    1   21 o  745.069   21.773  1095.32   63.289  1080.59   88.270  1110.91   90.791  739.977   30.568  750.161   31.014 -10.18384 43.54607 
1 1 1   -8    1   22 o  804.304   31.940  1278.73  100.252  1278.73  100.252   0.0000   0.0000  804.304   31.940  ?   ?       ?      ? 
1 1 1   -8    1   23 o  320.957   18.358  202.486   22.971  192.723   31.686  213.301   33.350  312.819   25.956  329.094   25.969 -16.27499 36.71618 
1 1 1   -8    1   24 o  439.561   18.620  380.973   31.931  370.447   44.602  392.040   45.734  433.328   26.376  445.795   26.289 -12.46661 37.23969 
1 1 1   -8    1   25 o  799.848   32.289  1273.47  100.783   0.0000   0.0000  1273.47  100.783  ?   ?   799.848   32.289      ?      ? 
1 1 1   -8    1   26 o  289.435   26.646  167.767   25.676  166.664   29.448  171.264   52.434  289.936   26.027  288.935   46.503 1.001251 53.29109 
1 1 1   -8    1   27 o  454.178   19.078  411.092   33.806  420.902   47.809  401.282   47.809  459.714   26.649  448.643   27.307 11.07007 38.15581 
1 1 1   -8    1   28 o  147.289   24.365   45.633   13.828   54.226   19.900   37.609   19.230  161.038   32.780  133.540   36.057 27.49884 48.73052 
1 1 1   -8    1   29 f  728.908   22.259  1076.96   63.306  1066.91   88.645  1087.43   90.438  725.585   31.307  732.230   31.650 -6.644714 44.51749 
1 1 1   -8    1   30 o  271.102   25.373  151.307   26.812  147.401   38.506  154.983   37.355  267.296   36.915  274.908   34.820 -7.611725 50.74582 
1 1 1   -8    1   31 o  166.625   26.410   59.709   16.799   69.139   24.031   50.696   23.494  180.321   35.414  152.928   39.189 27.39270 52.81960 
1 1 1   -8    1   32 o   82.534   23.799   6.7297   12.039   7.9191   17.979   5.7628   16.210   85.440   34.632   79.629   32.652 5.810402 47.59726 
1 1 1   -8    1   33 o  201.785   26.494   88.230   20.311   75.848   28.740  100.586   28.709  184.398   41.001  219.173   33.566 -34.77560 52.98811 
1 1 1   -8    1   34 o  460.571   21.624  440.999   38.814  465.639   54.899  416.373   54.883  474.272   29.662  446.870   31.472 27.40186 43.24725 
1 1 1   -8    1   35 o  104.299   27.297   19.672   14.677   25.488   22.346   15.259   19.465  112.544   40.218   96.054   36.917 16.49015 54.59307 
1 1 1   -8    1   36 o  294.152   51.779  249.134   59.570  270.260   80.384  223.399   88.722  318.461   66.813  269.844   79.123 48.61697 103.5585 
1 1 1   -8    2    1 o  586.448   23.266  663.304   49.661  716.801   89.365  639.403   59.733  602.263   38.023  570.633   26.824 31.62970 46.53265 
1 1 1   -8    2    2 o  532.290   18.368  555.153   38.117  586.115   55.280  527.090   52.629  546.418   25.925  518.162   26.027 28.25604 36.73568 
1 1 1   -8    2    3 o  1174.05   28.556  2719.57  130.444  2872.59  193.762  2592.74  176.407  1203.75   41.248  1144.36   39.502 59.39001 57.11242 
1 1 1   -8    2    4 o  279.635   15.728  153.329   17.159  157.638   24.348  149.078   24.187  283.552   22.004  275.717   22.480 7.835205 31.45613 
1 1 1   -8    2    5 o  1068.92   26.660  2261.60  111.125  2324.62  160.955  2204.20  153.612  1082.97   38.085  1054.87   37.316 28.09534 53.31935 
1 1 1   -8    2    6 o  529.401   26.167  555.733   54.048  539.657   75.701  572.447   77.190  521.550   37.194  537.251   36.818 -15.70062 52.33473 
1 1 1   -8    2    7 o  241.330   16.232  114.502   15.261  123.212   21.756  106.064   21.414  250.420   22.263  232.240   23.628 18.17975 32.46391 
1 1 1   -8    2    8 o  194.797   16.307   74.701   12.387   78.336   17.562   71.103   17.473  199.551   22.553  190.044   23.560 9.507233 32.61462 
1 1 1   -8    2    9 f  351.988   16.795  244.182   23.068  247.020   32.644  241.351   32.602  354.049   23.627  349.926   23.874 4.122528 33.58920 
1 1 1   -8    2   10 f  824.850   22.720  1351.99   73.113  1380.88  104.960  1324.77  101.902  833.335   32.275  816.365   31.986 16.97052 45.44037 
1 1 1   -8    2   11 o  249.150   16.442  122.243   15.986  121.325   22.521  123.174   22.696  248.208   23.251  250.092   23.255 -1.883347 32.88470 
1 1 1   -8    2   12 o  302.687   16.520  180.225   19.513  180.671   27.563  179.777   27.628  303.068   23.305  302.305   23.419 0.7628174 33.03915 
1 1 1   -8    2   13 o  509.664   26.048  515.756   51.796  509.840   72.361  521.972   74.175  506.727   36.593  512.602   37.080 -5.874634 52.09613 
1 1 1   -8    2   14 o  639.481   24.574  804.921   57.501  796.769   69.929  821.940  101.040  636.049   28.173  642.913   40.273 -6.863647 49.14874 
1 1 1   -8    2   15 o  885.123   23.561  1546.70   81.370  1527.17  113.855  1567.08  116.333  879.460   33.175  890.787   33.465 -11.32727 47.12207 
1 1 1   -8    2   16 o  949.464   24.623  1780.64   91.231  1777.33  128.751  1783.98  129.290  948.590   34.781  950.337   34.862 -1.746887 49.24504 
1 1 1   -8    2   17 o  900.129   23.830  1598.86   83.706  1598.61  118.245  1599.11  118.512  900.069   33.665  900.190   33.736 -0.1203613 47.65972 
1 1 1   -8    2   18 o  589.374   27.304  686.974   62.743  715.986   91.069  660.761   86.566  601.152   38.820  577.596   38.405 23.55603 54.60735 
1 1 1   -8    2   19 o  273.940   20.788  146.282   21.265  153.002   36.055  142.697   26.333  278.365   33.191  269.515   25.037 8.849792 41.57547 
1 1 1   -8    2   20 o  770.425   22.016  1170.99   66.183  1160.39   92.705  1182.01   94.516  766.914   30.976  773.937   31.295 -7.022644 44.03252 
1 1 1   -8    2   21 o  676.019   20.948  899.548   55.209  950.898   80.082  853.037   76.216  694.387   29.553  657.652   29.697 36.73511 41.89643 
1 1 1   -8    2   22 f  966.910   31.626  1833.67  109.317  1779.10  129.870  1966.34  202.486  947.379   35.128  986.441   52.601 -39.06213 63.25204 
1 1 1   -8    2   23 o  473.289   22.921  441.737   39.993  449.039   69.166  438.069   49.019  475.097   37.306  471.480   26.642 3.616913 45.84266 
1 1 1   -8    2   24 o  565.735   19.587  631.828   43.225  617.581   60.071  647.126   62.246  559.169   27.529  572.301   27.871 -13.13196 39.17476 
1 1 1   -8    2   25 o  193.499   56.125   79.544   44.859   0.0000   0.0000   79.544   44.859  ?   ?   193.499   56.125      ?      ? 
1 1 1   -8    2   26 o  161.584   32.389   53.980   19.712   53.980   19.712   0.0000   0.0000  161.584   32.389  ?   ?       ?      ? 
1 1 1   -8    2   27 o  389.631   18.914  302.843   28.705  323.745   40.608  281.967   40.583  403.367   25.798  375.896   27.666 27.47113 37.82744 
1 1 1   -8    2   28 o  328.569   19.551  214.631   24.940  187.405   33.765  247.319   36.997  305.610   28.312  351.528   26.970 -45.91821 39.10141 
1 1 1   -8    2   29 o  412.185   19.379  339.752   31.096  316.599   42.260  367.092   45.921  396.999   27.278  427.371   27.534 -30.37164 38.75838 
1 1 1   -8    2   30 o  309.364   25.280  197.012   30.456  193.947   44.286  199.762   41.951  306.503   37.026  312.225   34.430 -5.722046 50.56030 
1 1 1   -8    2   31 o  514.063   20.865  535.967   41.774  522.025   57.043  552.093   61.347  507.341   28.812  520.784   30.186 -13.44302 41.72906 
1 1 1   -8    2   32 f  649.923   22.421  869.716   56.752  849.147   77.491  893.513   83.348  642.526   30.905  657.321   32.493 -14.79462 44.84281 
1 1 1   -8    2   33 o  407.042   21.402  342.885   33.926  346.782   46.706  338.532   49.360  410.312   29.169  403.772   31.326 6.539581 42.80391 
1 1 1   -8    2   34 o  110.077   27.943   23.861   15.028   23.280   24.280   24.222   19.134  111.361   41.581  108.794   37.341 2.566345 55.88692 
1 1 1   -8    2   35 o  136.092   28.496   39.374   16.264   55.054   25.572   28.722   21.077  155.747   41.373  116.438   39.197 39.30878 56.99282 
1 1 1   -8    2   36 o  355.143   49.329  360.069   65.651  456.638   88.021  238.991   98.560  440.300   51.228  269.987   84.317 170.3127 98.65882 
1 1 1   -8    3    1 o  274.348   19.471  152.769   19.861  167.005   25.305  129.929   32.052  291.881   22.216  256.814   31.982 35.06696 38.94116 
1 1 1   -8    3    2 o  574.690   18.924  647.796   42.404  679.546   61.431  618.901   58.605  588.117   26.767  561.263   26.757 26.85437 37.84701 
1 1 1   -8    3    3 o  513.332   18.170  517.071   36.381  537.639   52.384  497.906   50.566  523.190   25.657  503.475   25.737 19.71417 36.34086 
1 1 1   -8    3    4 o  618.174   19.504  750.706   47.016  781.888   68.046  722.221   65.038  630.427   27.659  605.922   27.505 24.50446 39.00721 
1 1 1   -8    3    5 o  834.684   32.404  1390.75  105.454  1342.86  145.424  1443.86  153.144  819.712   45.461  849.655   46.188 -29.94342 64.80770 
1 1 1   -8    3    6 o  911.496   29.644  1646.48   98.550  1624.14  119.452  1694.10  174.391  905.515   33.804  917.477   48.708 -11.96130 59.28867 
1 1 1   -8    3    7 o  531.017   18.511  555.865   38.357  566.064   54.571  545.908   53.924  535.847   26.097  526.187   26.261 9.660583 37.02290 
1 1 1   -8    3    8 o  670.115   20.340  888.564   53.189  893.018   75.381  884.148   75.061  671.791   28.754  668.439   28.775 3.351624 40.67924 
1 1 1   -8    3    9 o  627.689   19.772  779.515   48.425  793.216   69.166  766.343   67.820  633.086   27.996  622.291   27.927 10.79492 39.54406 
1 1 1   -8    3   10 o  374.107   17.019  275.946   24.845  277.534   35.118  274.355   35.156  375.197   23.985  373.016   24.151 2.181396 34.03733 
1 1 1   -8    3   11 o  464.178   17.792  424.733   32.227  419.481   45.307  430.113   45.850  461.272   25.170  467.084   25.154 -5.811890 35.58447 
1 1 1   -8    3   12 o  213.082   16.639   89.304   13.834   90.186   19.482   88.407   19.647  214.159   23.312  212.005   23.747 2.153519 33.27728 
1 1 1   -8    3   13 o  650.547   28.620  842.341   72.634  871.352  104.176  814.897  101.323  661.479   40.357  639.615   40.593 21.86316 57.24086 
1 1 1   -8    3   14 o  318.050   16.814  198.533   20.862  191.743   29.112  205.699   29.910  312.456   23.875  323.644   23.682 -11.18848 33.62840 
1 1 1   -8    3   15 o  1008.57   25.646  2012.54  100.936  2011.55  142.634  2013.53  142.857  1008.32   36.249  1008.81   36.288 -0.4815063 51.29111 
1 1 1   -8    3   16 o  640.835   20.046  806.931   50.103  840.343   72.199  775.893   69.587  653.626   28.305  628.045   28.393 25.58032 40.09169 
1 1 1   -8    3   17 o  1233.90   29.650  3022.90  142.770  3016.55  201.331  3029.31  202.488  1232.64   41.855  1235.16   42.009 -2.526123 59.30067 
1 1 1   -8    3   18 o  462.625   25.332  423.045   45.717  426.216   65.632  420.056   63.718  464.240   36.228  461.010   35.418 3.230438 50.66435 
1 1 1   -8    3   19 o  361.628   17.913  257.317   25.242  271.239   35.502  243.085   35.895  371.617   24.481  351.638   26.158 19.97809 35.82694 
1 1 1   -8    3   20 o  578.852   19.737  659.044   44.544  699.307   64.070  621.376   61.972  596.014   27.547  561.691   28.273 34.32281 39.47351 
1 1 1   -8    3   21 o  876.791   23.862  1518.82   81.539  1477.75  111.954  1565.22  118.996  864.385   33.190  889.196   34.293 -24.81030 47.72355 
1 1 1   -8    3   22 o  578.929   25.324  617.760   50.361  570.708   57.760  766.940  102.847  538.177   27.502  619.681   42.530 -81.50409 50.64740 
1 1 1   -8    3   23 o  632.594   29.226  790.391   72.149   0.0000   0.0000  790.391   72.149  ?   ?   632.594   29.226      ?      ? 
1 1 1   -8    3   24 o  212.538   20.356   90.020   16.754   98.625   23.138   80.535   24.293  223.514   26.527  201.562   30.884 21.95181 40.71240 
1 1 1   -8    3   25 o  258.045   58.566  143.830   57.625   0.0000   0.0000  143.830   57.625  ?   ?   258.045   58.566      ?      ? 
1 1 1   -8    3   26 o  517.116   23.136  544.243   44.742  568.771   56.597  503.372   73.058  535.013   27.108  499.218   37.501 35.79575 46.27297 
1 1 1   -8    3   27 o  377.937   19.044  283.852   28.019  270.702   38.043  299.442   41.424  368.551   26.451  387.324   27.406 -18.77264 38.08858 
1 1 1   -8    3   28 o  539.450   20.173  584.368   42.431  581.532   58.772  587.455   61.323  538.379   27.974  540.520   29.072 -2.140869 40.34515 
1 1 1   -8    3   29 o  323.098   21.776  211.847   26.707  213.357   34.149  209.468   42.854  326.005   26.843  320.192   34.297 5.813354 43.55214 
1 1 1   -8    3   30 o  401.950   29.361  326.888   46.055   0.0000   0.0000  326.888   46.055  ?   ?   401.950   29.361      ?      ? 
1 1 1   -8    3   31 o  112.001   26.881   24.950   13.893   24.481   21.635   25.279   18.124  112.636   39.645  111.367   36.311 1.268730 53.76101 
1 1 1   -8    3   32 f  102.412   25.218   19.317   13.654  -0.0610   22.078   31.321   17.376   83.974   36.415  120.851   34.896 -36.87735 50.43564 
1 1 1   -8    3   33 o  278.447   23.608  162.180   25.631  154.012   35.482  171.094   37.066  271.034   33.547  285.859   33.227 -14.82431 47.21687 
1 1 1   -8    3   34 o  208.414   27.046   96.346   21.143   74.462   30.496  116.601   29.339  180.554   43.743  236.275   31.820 -55.72066 54.09200 
1 1 1   -8    3   35 o  326.089   22.748  223.269   28.868  242.672   41.042  204.270   40.613  341.049   30.837  311.128   33.449 29.92062 45.49509 
1 1 1   -8    3   36 o  277.157   51.959  197.694   54.711  143.738   65.743  319.231   98.669  225.498   68.595  328.816   78.062 -103.3184 103.9179 
1 1 1   -8    4    1 o  589.087   26.004  682.638   59.470  724.948   89.713  649.472   79.429  604.997   37.999  573.177   35.511 31.82007 52.00879 
1 1 1   -8    4    2 o  258.603   18.481  136.651   17.613  150.443   22.281  113.679   28.756  277.043   20.609  240.162   30.682 36.88098 36.96126 
1 1 1   -8    4    3 o  701.039   24.389  989.434   65.258  1082.81   86.551  866.422   99.343  741.214   29.922  660.863   38.521 80.35071 48.77713 
1 1 1   -8    4    4 o  362.106   24.273  258.990   34.209  286.490   49.460  233.770   47.366  380.649   33.297  343.562   35.328 37.08688 48.54645 
1 1 1   -8    4    5 o  239.152   23.611  114.286   21.822   99.605   31.560  127.734   30.206  224.005   36.104  254.298   30.438 -30.29260 47.22247 
1 1 1   -8    4    6 o  618.856   19.663  752.385   47.375  812.756   69.923  701.155   64.412  641.668   27.924  596.044   27.692 45.62335 39.32693 
1 1 1   -8    4    7 o  394.755   17.096  306.836   26.326  296.098   36.775  318.125   37.705  387.653   24.310  401.856   24.043 -14.20261 34.19117 
1 1 1   -8    4    8 o  432.990   17.364  369.754   29.339  375.163   41.683  364.443   41.302  436.140   24.491  429.839   24.622 6.300781 34.72829 
1 1 1   -8    4    9 o  377.838   16.945  281.152   24.959  299.904   35.921  263.650   34.704  390.064   23.598  365.612   24.324 24.45123 33.88965 
1 1 1   -8    4   10 o  550.968   18.834  599.528   40.491  610.662   57.622  588.667   56.911  556.041   26.555  545.895   26.715 10.14569 37.66789 
1 1 1   -8    4   11 o  471.516   17.883  438.048   32.905  442.300   46.707  433.858   46.365  473.793   25.262  469.239   25.320 4.554047 35.76682 
1 1 1   -8    4   12 o  826.554   27.889  1362.33   85.000  1356.23  146.067  1365.46  104.520  822.344   45.516  830.763   32.240 -8.418518 55.77748 
1 1 1   -8    4   13 o  712.511   29.914  1011.19   83.140  1047.60  119.548  977.080  115.702  724.940   42.258  700.082   42.351 24.85767 59.82719 
1 1 1   -8    4   14 o  661.686   20.309  860.978   52.399  834.318   72.345  890.398   75.997  650.976   28.478  672.395   28.963 -21.41925 40.61826 
1 1 1   -8    4   15 o  538.029   18.746  568.731   39.350  558.546   54.968  579.436   56.356  533.103   26.422  542.955   26.598 -9.851685 37.49102 
1 1 1   -8    4   16 o  556.059   19.018  607.332   41.255  628.883   59.084  586.829   57.629  565.699   26.764  546.419   27.026 19.28021 38.03610 
1 1 1   -8    4   17 o  446.108   21.606  395.209   35.793  402.924   44.520  381.109   60.188  452.981   25.185  439.236   35.114 13.74484 43.21236 
1 1 1   -8    4   18 o  841.159   45.911  1411.15  150.704   0.0000   0.0000  1411.15  150.704  ?   ?   841.159   45.911      ?      ? 
1 1 1   -8    4   19 o  794.019   22.411  1244.08   69.439  1246.22   97.799  1241.90   98.611  794.753   31.533  793.286   31.854 1.466492 44.82208 
1 1 1   -8    4   20 o  353.705   18.749  246.818   25.791  256.245   35.484  236.262   37.550  361.026   25.186  346.383   27.780 14.64380 37.49747 
1 1 1   -8    4   21 o  725.297   21.636  1036.17   61.137  1000.16   83.608  1077.55   89.628  711.922   30.094  738.671   31.093 -26.74908 43.27160 
1 1 1   -8    4   22 o  140.886   24.034   40.370   13.083   48.378   19.450   33.753   17.680  153.434   33.429  128.338   34.541 25.09662 48.06796 
1 1 1   -8    4   23 o  562.590   28.338  624.905   62.215   0.0000   0.0000  624.905   62.215  ?   ?   562.590   28.338      ?      ? 
1 1 1   -8    4   24 o  556.938   19.886  613.594   43.188  613.786   59.939  613.387   62.282  557.177   27.567  556.698   28.669 0.4787598 39.77227 
1 1 1   -8    4   25 o  156.758   61.488   35.583   54.844   0.0000   0.0000   35.583   54.844  ?   ?   156.758   61.488      ?      ? 
1 1 1   -8    4   26 o  778.118   27.461  1238.63   79.576  1266.73   99.572  1188.95  132.387  795.118   32.090  761.117   44.572 34.00006 54.92208 
1 1 1   -8    4   27 o  181.023   22.427   67.193   15.348   79.889   22.019   55.194   21.405  199.830   28.236  162.215   34.852 37.61444 44.85458 
1 1 1   -8    4   28 o  169.353   24.321   60.319   15.788   39.937   22.097   81.576   22.566  137.288   39.267  201.418   28.709 -64.12978 48.64246 
1 1 1   -8    4   29 o  270.451   21.808  147.994   22.639  146.963   29.460  149.481   35.382  270.203   27.939  270.699   33.493 -0.4963989 43.61631 
1 1 1   -8    4   30 o  403.984   29.941  330.897   47.202   0.0000   0.0000  330.897   47.202  ?   ?   403.984   29.941      ?      ? 
1 1 1   -8    4   31 o  376.328   20.597  288.180   30.135  290.076   40.999  285.952   44.444  378.372   27.767  374.284   30.428 4.087677 41.19317 
1 1 1   -8    4   32 o  465.150   20.956  443.935   37.960  438.822   51.922  449.805   55.636  462.966   28.739  467.334   30.507 -4.368591 41.91169 
1 1 1   -8    4   33 o  270.201   22.932  152.448   24.165  154.276   34.870  150.758   33.520  271.492   32.913  268.909   31.942 2.582825 45.86465 
1 1 1   -8    4   34 o  305.704   22.928  195.797   27.308  209.223   38.820  182.645   38.422  316.728   31.408  294.680   33.411 22.04752 45.85628 
1 1 1   -8    4   35 o  506.135   22.691  535.388   44.711  502.643   60.730  574.143   66.067  489.652   31.782  522.617   32.395 -32.96469 45.38200 
1 1 1   -8    5    1 o  361.850   19.508  254.792   27.365  298.701   41.131  219.920   36.655  389.556   27.056  334.144   28.110 55.41147 39.01596 
1 1 1   -8    5    2 o  703.395   27.552  979.599   75.455  1044.50  111.392  924.570  102.573  724.693   39.388  682.097   38.535 42.59521 55.10324 
1 1 1   -8    5    3 o  462.164   31.485  422.159   56.784   0.0000   0.0000  422.159   56.784  ?   ?   462.164   31.485      ?      ? 
1 1 1   -8    5    4 o  257.781   37.560  117.972   21.821  113.962   22.758  163.698   76.849  240.675   24.231  274.888   71.104 -34.21300 75.11951 
1 1 1   -8    5    5 f  214.886   20.301   92.012   16.164   93.777   20.058   88.743   27.299  218.293   23.545  211.479   33.078 6.814514 40.60254 
1 1 1   -8    5    6 o  616.797   23.153  760.905   53.670  776.108   67.791  735.375   87.850  626.654   27.721  606.941   37.091 19.71216 46.30523 
1 1 1   -8    5    7 o  540.462   23.287  590.635   46.357  612.211   57.475  550.468   78.419  556.653   26.458  524.271   38.329 32.38196 46.57458 
1 1 1   -8    5    8 o  475.879   17.994  446.815   33.401  465.966   47.880  428.663   46.616  485.847   25.254  465.911   25.639 19.93591 35.98764 
1 1 1   -8    5    9 o  865.581   23.372  1489.14   78.912  1524.11  113.662  1456.60  109.644  875.273   33.277  855.890   32.827 19.38312 46.74359 
1 1 1   -8    5   10 o  689.943   20.667  941.353   55.637  955.539   79.395  927.666   77.990  695.034   29.272  684.851   29.182 10.18347 41.33302 
1 1 1   -8    5   11 o  700.402   20.796  968.714   56.836  980.281   80.877  957.426   79.889  704.531   29.417  696.274   29.402 8.257263 41.59105 
1 1 1   -8    5   12 o  448.301   25.518  399.014   44.566  425.627   63.026  372.402   63.025  463.513   34.844  433.089   37.291 30.42355 51.03667 
1 1 1   -8    5   13 o  153.180   19.290   46.933   11.242   41.088   15.639   53.182   16.171  141.867   29.222  164.492   25.191 -22.62489 38.58097 
1 1 1   -8    5   14 o  468.426   18.040  431.118   32.976  431.080   46.416  431.157   46.856  468.420   25.392  468.432   25.632 -0.1141357E-01 36.08014 
1 1 1   -8    5   15 o  430.743   17.936  364.529   30.137  375.260   42.499  353.675   42.742  437.172   24.911  424.315   25.813 12.85736 35.87295 
1 1 1   -8    5   16 o  922.580   24.365  1675.99   87.580  1758.39  128.410  1604.33  119.757  943.593   34.873  901.567   34.038 42.02594 48.73099 
1 1 1   -8    5   17 f  373.264   33.485  274.961   48.775   0.0000   0.0000  274.961   48.775  ?   ?   373.264   33.485      ?      ? 
1 1 1   -8    5   18 o  694.414   25.808  951.312   65.992  963.879  114.308  945.030   80.821  696.224   42.072  692.605   29.903 3.619568 51.61626 
1 1 1   -8    5   19 o  332.255   18.568  216.771   23.989  213.267   32.457  220.988   35.613  329.400   25.250  335.111   27.232 -5.710846 37.13667 
1 1 1   -8    5   20 o  282.039   19.540  156.619   21.455  156.184   29.327  157.120   31.471  281.707   26.677  282.372   28.560 -0.6653442 39.08079 
1 1 1   -8    5   21 o  717.067   21.670  1014.77   60.617  1054.36   86.703  976.919   84.781  730.807   30.402  703.326   30.889 27.48145 43.34075 
1 1 1   -8    5   22 o  769.991   22.426  1172.69   67.363  1169.79   94.018  1175.75   96.566  769.140   31.324  770.843   32.102 -1.702454 44.85178 
1 1 1   -8    5   23 o  1070.67   38.983  2289.37  162.878   0.0000   0.0000  2289.37  162.878  ?   ?   1070.67   38.983      ?      ? 
1 1 1   -8    5   24 o  297.837   23.855  177.775   27.241  170.708   42.178  182.833   35.681  292.104   37.001  303.570   30.120 -11.46548 47.71024 
1 1 1   -8    5   25 o  230.848   35.717   92.632   22.074   86.151   23.467  142.414   65.042  208.171   28.888  253.525   65.333 -45.35434 71.43424 
1 1 1   -8    5   26 o  518.429   20.339  537.796   40.998  556.817   56.296  516.314   59.827  528.797   27.281  508.060   30.175 20.73685 40.67871 
1 1 1   -8    5   27 o  481.237   29.870  470.370   45.579  464.415   51.249  492.904   99.693  481.951   27.249  480.523   53.164 1.428711 59.74053 
1 1 1   -8    5   28 o  548.768   28.123  605.331   60.226  605.331   60.226   0.0000   0.0000  548.768   28.123  ?   ?       ?      ? 
1 1 1   -8    5   29 o  508.226   27.966  520.175   55.466  520.175   55.466   0.0000   0.0000  508.226   27.966  ?   ?       ?      ? 
1 1 1   -8    5   30 o  392.530   30.376  313.060   46.531   0.0000   0.0000  313.060   46.531  ?   ?   392.530   30.376      ?      ? 
1 1 1   -8    5   31 o  131.825   26.631   34.571   14.519   53.032   23.328   22.899   18.549  156.070   38.533  107.580   36.769 48.48967 53.26139 
1 1 1   -8    5   32 o  410.128   21.360  343.440   34.000  316.407   45.279  378.388   51.482  392.246   29.581  428.009   30.823 -35.76340 42.72092 
1 1 1   -8    5   33 o  113.391   27.820   23.052   14.400   38.327   25.437   15.847   17.469  132.018   43.016   94.764   35.292 37.25402 55.64090 
1 1 1   -8    5   34 o  300.736   22.456  189.102   26.333  184.218   37.635  193.786   36.858  296.438   32.533  305.034   30.964 -8.596283 44.91266 
1 1 1   -8    5   35 o  218.992   34.231   93.671   24.616  157.579   53.690   76.661   27.699  253.065   55.862  184.920   39.580 68.14557 68.46212 
1 1 1   -8    6    1 f  1123.26   39.028  2531.43  168.148  2787.61  268.084  2365.28  215.896  1166.04   58.915  1080.49   51.203 85.54785 78.05587 
1 1 1   -8    6    2 o  301.474   22.811  180.173   26.750  179.215   39.373  180.994   36.455  300.537   33.571  302.411   30.891 -1.873230 45.62121 
1 1 1   -8    6    3 o  600.969   62.419  802.466   87.213  805.342   92.814  780.775  254.908  635.487   37.426  566.451  119.095 69.03625 124.8370 
1 1 1   -8    6    4 o  547.684   24.360  595.990   52.031  623.940   75.095  570.185   72.157  560.045   34.360  535.323   34.541 24.72192 48.72062 
1 1 1   -8    6    5 o  886.948   28.120  1600.23   95.016  1704.21  124.377  1454.50  147.246  925.028   34.455  848.867   44.450 76.16101 56.24020 
1 1 1   -8    6    6 o  436.478   19.994  390.004   32.743  441.329   42.815  317.699   50.818  473.281   23.182  399.675   32.582 73.60675 39.98725 
1 1 1   -8    6    7 o  188.075   19.444   67.511   13.459   62.971   16.265   77.375   23.974  178.758   23.315  197.391   31.123 -18.63336 38.88763 
1 1 1   -8    6    8 f  863.464   27.792  1517.91   91.326  1623.22  119.496  1370.02  141.610  902.972   33.912  823.955   44.041 79.01678 55.58435 
1 1 1   -8    6    9 o  283.690   19.306  163.255   20.108  173.068   25.014  145.332   33.805  296.702   21.604  270.678   32.003 26.02356 38.61258 
1 1 1   -8    6   10 o  639.188   24.770  820.301   58.353  840.233   72.130  782.547   99.270  652.468   28.329  625.907   40.642 26.56018 49.54081 
1 1 1   -8    6   11 o  415.896   25.137  343.722   40.688  370.267   57.324  316.769   57.761  432.403   33.971  399.389   37.060 33.01416 50.27430 
1 1 1   -8    6   12 o  1412.02   33.155  3985.18  182.438  4107.97  266.512  3876.91  250.266  1431.83   47.697  1392.21   46.064 39.62256 66.30958 
1 1 1   -8    6   13 o  649.771   20.221  831.011   51.268  848.359   73.057  814.177   71.963  656.468   28.518  643.075   28.676 13.39258 40.44211 
1 1 1   -8    6   14 o  425.895   17.851  356.456   29.650  367.237   41.681  345.413   42.186  432.477   24.697  419.312   25.781 13.16492 35.70151 
1 1 1   -8    6   15 o  370.502   17.451  269.158   25.195  263.904   34.577  275.104   36.786  366.698   24.163  374.305   25.184 -7.607056 34.90105 
1 1 1   -8    6   16 o  1145.37   34.189  2655.86  147.600  2774.34  188.617  2468.70  237.067  1182.53   40.873  1108.21   54.817 74.32422 68.37805 
1 1 1   -8    6   17 o  408.197   22.812  334.017   34.644  309.974   57.382  347.807   43.458  395.731   37.157  420.662   26.473 -24.93094 45.62329 
1 1 1   -8    6   18 o  689.898   21.138  937.797   56.876  933.732   79.034  942.162   81.913  688.455   29.418  691.340   30.362 -2.885193 42.27585 
1 1 1   -8    6   19 o  824.851   23.189  1344.65   74.625  1357.99  104.768  1330.92  106.319  829.133   32.380  820.570   33.202 8.563293 46.37704 
1 1 1   -8    6   20 o  216.092   20.910   92.632   17.528   99.715   24.174   84.781   25.451  225.006   27.531  207.177   31.480 17.82938 41.82045 
1 1 1   -8    6   21 o  324.480   18.818  208.798   23.643  233.341   32.974  182.831   33.918  344.467   24.530  304.494   28.544 39.97290 37.63615 
1 1 1   -8    6   22 o  252.121   19.840  125.212   19.491  121.798   26.710  129.100   28.507  248.502   27.543  255.740   28.564 -7.237488 39.68008 
1 1 1   -8    6   23 o  767.008   27.547  1187.84   79.836  1128.23  128.269  1225.53  102.001  748.624   43.906  785.393   33.280 -36.76904 55.09380 
1 1 1   -8    6   24 o  910.826   55.094  1716.58  195.827   0.0000   0.0000  1716.58  195.827  ?   ?   910.826   55.094      ?      ? 
1 1 1   -8    6   25 o  460.589   20.011  424.468   35.727  469.662   49.840  376.697   51.241  486.572   26.248  434.606   30.212 51.96652 40.02179 
1 1 1   -8    6   26 o  393.806   19.654  309.750   30.046  312.183   40.583  306.799   44.697  395.989   26.262  391.624   29.246 4.365479 39.30709 
1 1 1   -8    6   27 o  274.058   20.750  149.189   22.057  134.124   29.323  168.822   33.475  258.383   29.081  289.732   29.607 -31.34915 41.49998 
1 1 1   -8    6   28 o  413.002   22.210  347.056   34.584  351.245   43.830  340.146   56.295  418.396   26.844  407.608   35.391 10.78735 44.42035 
1 1 1   -8    6   29 o  402.996   25.643  332.674   39.280  341.855   63.363  326.944   50.060  405.161   40.075  400.831   32.003 4.330048 51.28588 
1 1 1   -8    6   30 o  165.996   26.655   59.429   16.784   57.923   25.336   60.607   22.405  163.286   40.062  168.706   35.172 -5.420425 53.31080 
1 1 1   -8    6   31 o   98.573   24.973   18.289   12.370   6.2251   22.195   23.726   14.899   90.492   37.757  106.653   32.696 -16.16083 49.94660 
1 1 1   -8    6   32 o  239.907   23.476  119.915   21.947  125.943   32.095  114.621   30.079  245.406   33.514  234.408   32.882 10.99727 46.95102 
1 1 1   -8    6   33 o  384.299   44.097  446.102   49.406  531.851   57.708  210.712   95.612  507.452   29.141  261.147   83.241 246.3056 88.19437 
1 1 1   -8    6   34 o  131.236   29.302   35.793   15.748   45.923   28.724   31.438   18.831  142.267   45.654  120.206   36.743 22.06088 58.60326 
1 1 1   -8    7    1 f  315.391   42.344  244.351   37.015  262.307   40.669  157.696   89.341  364.094   28.624  266.687   79.705 97.40680 84.68897 
1 1 1   -8    7    2 o  603.212   63.126  820.846   88.625  824.570   94.403  793.193  257.273  642.167   37.671  564.256  120.501 77.91119 126.2524 
1 1 1   -8    7    3 o  429.946   23.351  367.709   39.179  366.555   55.346  368.869   55.468  429.265   33.039  430.626   33.007 -1.360626 46.70183 
1 1 1   -8    7    4 o  724.368   28.407  1052.61   80.245  1090.17  116.102  1018.25  111.035  736.615   40.389  712.122   39.955 24.49243 56.81304 
1 1 1   -8    7    5 o  614.778   26.177  749.778   62.539  832.741   93.654  683.011   84.016  645.144   37.199  584.413   36.839 60.73163 52.35375 
1 1 1   -8    7    6 o  279.900   18.612  153.588   20.169  183.350   29.853  128.599   27.355  304.811   25.098  254.988   27.491 49.82248 37.22421 
1 1 1   -8    7    7 o  429.868   20.717  376.588   33.339  412.401   42.890  321.912   52.994  457.474   24.025  402.261   33.759 55.21341 41.43464 
1 1 1   -8    7    8 o  738.802   25.276  1097.69   70.411  1133.47   89.680  1040.18  113.691  756.691   30.370  720.912   40.412 35.77814 50.55189 
1 1 1   -8    7    9 o  516.791   20.716  542.139   40.582  644.019   55.186  422.179   59.883  572.034   24.722  461.547   33.247 110.4878 41.43126 
1 1 1   -8    7   10 o  1065.87   38.363  2298.99  159.469  2363.24  230.534  2240.03  220.826  1079.80   54.709  1051.93   53.794 27.87317 76.72562 
1 1 1   -8    7   11 o  450.947   20.974  390.369   35.038  368.971   42.722  434.334   61.238  433.211   25.271  468.683   33.482 -35.47256 41.94816 
1 1 1   -8    7   12 o  1125.44   33.199  2487.42  136.681  2406.88  165.406  2660.80  242.693  1101.64   38.475  1149.24   54.114 -47.60706 66.39819 
1 1 1   -8    7   13 f  549.461   22.509  557.641   44.516  504.443   52.485  694.024   84.036  506.597   26.549  592.325   36.356 -85.72775 45.01747 
1 1 1   -8    7   14 o  478.718   18.320  449.898   34.200  443.277   47.318  457.139   49.487  475.081   25.522  482.356   26.290 -7.275452 36.64088 
1 1 1   -8    7   15 o  365.997   20.830  274.287   28.413  312.272   36.902  218.985   44.527  398.932   23.704  333.061   34.258 65.87109 41.65918 
1 1 1   -8    7   16 f  254.875   23.716  124.958   23.224  147.275   37.032  110.491   29.816  273.048   34.754  236.702   32.278 36.34592 47.43117 
1 1 1   -8    7   17 o  327.399   18.313  206.591   23.166  175.706   30.484  248.808   35.640  298.977   26.128  355.822   25.667 -56.84509 36.62622 
1 1 1   -8    7   18 o  519.342   19.764  532.318   39.938  573.585   56.144  490.045   56.823  539.980   26.643  498.704   29.198 41.27603 39.52707 
1 1 1   -8    7   19 o  207.550   21.168   84.695   17.024   71.644   23.386   99.409   24.831  190.477   31.462  224.624   28.327 -34.14713 42.33531 
1 1 1   -8    7   20 o  425.452   18.970  357.605   31.383  384.708   43.860  329.171   44.924  442.224   25.415  408.681   28.168 33.54282 37.93916 
1 1 1   -8    7   21 f  369.963   36.865  308.413   37.746  324.738   41.930  238.634   86.686  406.036   26.462  333.889   68.818 72.14752 73.73020 
1 1 1   -8    7   22 o  185.977   21.368   69.468   14.763   92.648   21.730   49.594   20.120  216.825   25.681  155.130   34.160 61.69481 42.73667 
1 1 1   -8    7   23 o  619.231   25.341  769.914   59.650  744.090   94.852  786.809   76.720  608.917   39.917  629.546   31.228 -20.62915 50.68101 
1 1 1   -8    7   24 o  397.475   38.210  313.895   53.201  296.975   62.110  360.511  103.093  383.043   41.551  411.908   64.136 -28.86496 76.41908 
1 1 1   -8    7   25 o  429.053   20.212  363.934   33.525  346.381   44.068  388.053   51.655  417.339   27.058  440.767   30.031 -23.42831 40.42316 
1 1 1   -8    7   26 o  127.669   24.686   33.521   12.513   38.193   19.513   30.259   16.307  134.791   36.291  120.547   33.474 14.24371 49.37129 
1 1 1   -8    7   27 o  120.553   23.923   27.720   11.690   43.176   19.289   18.748   14.697  142.857   34.899   98.248   32.730 44.60841 47.84609 
1 1 1   -8    7   28 o  379.733   21.937  290.401   31.615  284.244   40.126  300.479   51.337  376.044   27.344  383.422   34.310 -7.377258 43.87336 
1 1 1   -8    7   29 o  507.579   31.687  524.494   62.764   0.0000   0.0000  524.494   62.764  ?   ?   507.579   31.687      ?      ? 
1 1 1   -8    7   30 o  641.493   34.473  849.454   86.299   0.0000   0.0000  849.454   86.299  ?   ?   641.493   34.473      ?      ? 
1 1 1   -8    7   31 o  159.568   26.932   56.578   16.438   50.010   25.588   61.194   21.451  150.054   42.025  169.083   33.692 -19.02966 53.86340 
1 1 1   -8    7   32 o  399.616   27.443  333.980   40.803  372.388   70.291  314.459   50.111  411.593   43.762  387.640   33.126 23.95328 54.88613 
1 1 1   -8    7   33 o  265.735   24.702  150.497   25.100  117.393   35.211  184.700   35.790  233.459   38.648  298.011   30.775 -64.55191 49.40461 
1 1 1   -8    7   34 o  284.551   29.042  172.929   29.838  189.282   54.039  165.757   35.788  288.289   48.034  280.813   32.658 7.476349 58.08431 
1 1 1   -8    7   35 o  103.161   34.137 -11.5500   25.715 -11.5216   28.178 -11.6916   62.886   84.087   38.432  122.234   56.429 -38.14692 68.27332 
1 1 1   -8    8    1 o  324.933   41.945  230.324   36.976  233.827   40.214  211.161   94.056  343.348   30.013  306.518   78.337 36.82996 83.88980 
1 1 1   -8    8    2 o  358.423   46.566  288.223   43.705  293.924   47.231  254.254  115.283  384.648   31.465  332.198   87.655 52.44977 93.13112 
1 1 1   -8    8    3 o  761.975   79.485  1476.68  140.055  1515.41  150.396  1223.73  384.336  865.810   44.512  658.140  152.611 207.6695 158.9704 
1 1 1   -8    8    4 o  286.708   41.992  179.963   34.019  183.268   36.986  161.804   86.694  303.846   31.193  269.569   77.977 34.27695 83.98405 
1 1 1   -8    8    5 o  508.316   24.768  513.721   49.077  547.157   71.156  483.385   67.778  524.131   34.789  492.502   35.265 31.62851 49.53681 
1 1 1   -8    8    6 o  451.612   22.034  401.990   38.724  441.079   57.224  368.969   52.596  471.771   31.083  431.454   31.238 40.31744 44.06760 
1 1 1   -8    8    7 o  555.746   25.021  613.492   54.248  633.702   77.691  594.264   75.781  564.710   35.255  546.782   35.515 17.92780 50.04218 
1 1 1   -8    8    8 o  597.890   25.660  705.113   59.660  775.950   88.894  647.058   80.476  624.976   36.448  570.803   36.128 54.17377 51.31994 
1 1 1   -8    8    9 o  615.878   39.076  754.399   93.916  754.399   93.916   0.0000   0.0000  615.878   39.076  ?   ?       ?      ? 
1 1 1   -8    8   10 o  155.581   24.049   51.461   13.317   55.564   15.832   41.538   24.621  168.174   24.124  142.989   41.611 25.18555 48.09851 
1 1 1   -8    8   11 o  613.400   23.419  741.489   53.532  737.747   66.437  748.416   90.387  612.284   27.805  614.516   37.691 -2.231995 46.83767 
1 1 1   -8    8   12 o  453.341   21.394  395.613   35.473  379.333   42.812  431.268   63.359  439.489   24.962  467.192   34.752 -27.70313 42.78807 
1 1 1   -8    8   13 o  676.291   24.652  879.471   60.887  838.266   73.306  971.134  109.335  652.729   28.779  699.852   40.033 -47.12225 49.30406 
1 1 1   -8    8   14 o  963.395   77.231  1841.94  129.340  1820.34  132.839  2235.99  567.260  959.874   35.463  966.915  150.336 -7.040588 154.4618 
1 1 1   -8    8   15 o  549.187   55.646  574.920   75.914  556.485   80.753  715.072  222.658  529.946   39.048  568.427  104.217 -38.48102 111.2918 
1 1 1   -8    8   16 o  782.757   27.118  1201.32   77.374  1178.38   93.577  1250.91  137.575  773.165   31.015  792.349   44.493 -19.18408 54.23572 
1 1 1   -8    8   17 o  1048.73   32.323  2185.31  124.511  2162.77  152.048  2231.20  216.937  1044.62   37.298  1052.84   52.800 -8.224609 64.64571 
1 1 1   -8    8   18 o  1443.21   46.765  3550.03  196.587  3230.65  212.080  5499.59  523.973  1272.97   42.692  1613.46   83.218 -340.4885 93.53048 
1 1 1   -8    8   19 o  305.013   19.738  184.210   23.278  190.975   31.233  175.758   34.912  311.569   25.688  298.458   29.975 13.11130 39.47635 
1 1 1   -8    8   20 o  591.054   20.839  689.799   47.857  693.728   64.847  685.099   70.920  593.225   28.012  588.883   30.861 4.342163 41.67796 
1 1 1   -8    8   21 o  483.601   30.414  384.371   41.154  353.063   44.013  602.129  116.076  423.229   26.649  543.973   54.681 -120.7442 60.82880 
1 1 1   -8    8   22 o  369.370   23.725  271.718   33.950  266.010   50.859  276.305   45.595  365.428   35.665  373.312   31.298 -7.884247 47.45000 
1 1 1   -8    8   23 o  170.731   40.760   59.680   22.303   64.060   22.912 -19.4565   97.396  176.258   34.546  165.205   73.838 11.05215 81.51938 
1 1 1   -8    8   24 o  508.502   31.099  516.159   61.712   0.0000   0.0000  516.159   61.712  ?   ?   508.502   31.099      ?      ? 
1 1 1   -8    8   25 o  328.089   30.307  237.303   34.373  180.949   57.323  268.942   42.952  289.649   52.654  366.529   30.029 -76.88055 60.61468 
1 1 1   -8    8   26 o  110.603   23.918   22.789   11.026   34.102   18.659   16.718   13.668  127.550   35.944   93.656   31.565 33.89458 47.83654 
1 1 1   -8    8   27 o   91.677   23.077   15.230   10.363   9.3495   17.580   18.361   12.828   87.492   34.655   95.861   30.483 -8.369606 46.15370 
1 1 1   -8    8   28 o  196.857   32.716   90.200   23.625   65.160   44.520  100.015   27.873  172.014   56.950  221.700   32.217 -49.68623 65.43141 
1 1 1   -8    8   29 f  464.392   27.211  437.949   47.008  485.996   81.094  413.635   57.689  479.183   43.367  449.602   32.880 29.58032 54.42220 
1 1 1   -8    8   30 o  551.795   34.189  630.198   73.619   0.0000   0.0000  630.198   73.619  ?   ?   551.795   34.189      ?      ? 
1 1 1   -8    8   31 o  316.762   22.291  208.234   27.223  248.271   39.080  170.489   37.945  347.945   28.781  285.579   34.048 62.36584 44.58288 
1 1 1   -8    8   32 o  348.544   21.670  252.162   29.475  253.545   41.788  250.792   41.580  349.501   30.639  347.588   30.654 1.912689 43.34045 
1 1 1   -8    8   33 o  454.701   32.405  433.141   57.499   0.0000   0.0000  433.141   57.499  ?   ?   454.701   32.405      ?      ? 
1 1 1   -8    8   34 o  327.193   22.170  220.777   28.074  252.172   43.210  197.842   36.931  346.592   31.947  307.794   30.747 38.79767 44.33950 
1 1 1   -8    9    1 o  244.378   50.814  129.246   52.015  110.187   72.749  149.179   74.398  227.689   72.613  261.068   71.103 -33.37903 101.6280 
1 1 1   -8    9    2 o  347.856   45.407  278.205   42.406  288.307   46.156  223.511  107.400  381.373   31.013  314.339   85.354 67.03342 90.81348 
1 1 1   -8    9    3 o  504.166   55.901  623.077   71.572  656.667   78.135  447.953  178.410  574.505   34.851  433.827  106.232 140.6787 111.8030 
1 1 1   -8    9    4 o  496.893   56.288  565.675   68.276  577.498   73.351  488.986  186.811  538.993   34.873  454.794  107.039 84.19949 112.5761 
1 1 1   -8    9    5 o  374.596   47.672  275.819   45.882  268.590   49.035  326.660  130.045  367.909   34.154  381.284   89.018 -13.37531 95.34460 
1 1 1   -8    9    6 o  204.039   35.935   89.059   24.579   92.955   27.289   72.315   56.572  216.725   32.267  191.352   64.219 25.37308 71.86958 
1 1 1   -8    9    7 o  844.512  168.709  1918.31  536.547  1918.31  536.547   0.0000   0.0000  844.512  168.709  ?   ?       ?      ? 
1 1 1   -8    9    8 o  398.333   48.508  349.179   50.286  308.042  131.570  356.216   54.417  372.168   91.285  424.499   32.849 -52.33057 97.01519 
1 1 1   -8    9    9 o  1026.40   35.441  2105.19  141.516  2237.77  210.491  1995.83  191.170  1055.17   51.118  997.627   49.104 57.54645 70.88254 
1 1 1   -8    9   10 o  929.611   29.008  1731.89  101.702  1778.58  129.352  1656.31  164.590  948.455   34.948  910.766   46.309 37.68896 58.01623 
1 1 1   -8    9   11 o  622.503   23.694  758.941   54.628  746.184   67.135  783.940   93.979  615.916   27.932  629.091   38.281 -13.17523 47.38807 
1 1 1   -8    9   12 o  966.103   29.933  1810.19  105.403  1735.23  126.846  1977.40  189.458  937.376   34.676  994.830   48.801 -57.45380 59.86666 
1 1 1   -8    9   13 o  977.449   80.191  1980.46  136.662  1966.27  140.567  2225.21  583.895  997.380   36.115  957.517  156.263 39.86285 160.3821 
1 1 1   -8    9   14 o  806.637  149.752  1578.81  454.039   0.0000   0.0000  1578.81  454.039  ?   ?   806.637  149.752      ?      ? 
1 1 1   -8    9   15 o  656.722   25.155  815.660   58.815  766.301   69.179  944.372  111.713  624.020   28.408  689.424   41.522 -65.40424 50.31047 
1 1 1   -8    9   16 o  726.516   26.717  1006.21   68.782  954.150   80.782  1143.42  131.155  695.844   29.749  757.188   44.386 -61.34467 53.43351 
1 1 1   -8    9   17 o  669.170   26.251  853.672   61.820  811.501   72.302  968.304  119.207  641.750   28.870  696.590   43.852 -54.83984 52.50261 
1 1 1   -8    9   18 o  844.978   29.773  1374.92   88.006  1316.76  102.712  1535.54  170.682  816.263   32.245  873.692   50.061 -57.42914 59.54672 
1 1 1   -8    9   19 o  532.649   28.081  555.935   49.191  548.364   55.971  581.632  103.115  527.625   27.183  537.673   49.144 -10.04779 56.16135 
1 1 1   -8    9   20 o  254.951   38.828  140.162   26.001  142.439   27.741  123.697   74.602  268.887   26.437  241.014   73.017 27.87297 77.65520 
1 1 1   -8    9   21 o  584.405   61.693  705.868  140.697   0.0000   0.0000  705.868  140.697  ?   ?   584.405   61.693      ?      ? 
1 1 1   -8    9   23 o  567.845   35.048  608.252   55.271  585.945   59.552  746.894  148.463  543.299   28.088  592.391   64.221 -49.09259 70.09505 
1 1 1   -8    9   24 o  402.351   86.728  387.468  132.163   0.0000   0.0000  387.468  132.163  ?   ?   402.351   86.728      ?      ? 
1 1 1   -8    9   25 o   92.549   20.968   13.823   10.808 -13.0070   17.570   30.155   13.708   64.759   29.872  120.340   29.434 -55.58118 41.93615 
1 1 1   -8    9   26 o  232.674   22.704  108.782   20.507   94.710   27.789  125.606   30.387  216.052   32.960  249.296   31.235 -33.24373 45.40881 
1 1 1   -8    9   27 f  182.752   33.048   81.065   23.351   40.992   47.776   93.642   26.765  150.792   57.865  214.713   31.944 -63.92126 66.09657 
1 1 1   -8    9   28 f  570.527   35.744  669.835   79.582   0.0000   0.0000  669.835   79.582  ?   ?   570.527   35.744      ?      ? 
1 1 1   -8    9   29 o  143.804   24.790   40.315   13.633   63.371   22.988   27.807   16.932  172.400   35.355  115.209   34.759 57.19061 49.58022 
1 1 1   -8    9   30 o  207.583   25.685   91.875   20.247   84.376   29.177   98.841   28.118  196.712   39.382  218.454   32.984 -21.74176 51.37005 
1 1 1   -8    9   31 o  211.174   25.589   92.890   20.365  117.493   31.779   75.746   26.529  236.457   34.440  185.890   37.856 50.56664 51.17799 
1 1 1   -8    9   32 o  123.357   27.852   33.682   14.917   25.362   26.853   37.395   17.940  115.963   43.644  130.751   34.615 -14.78851 55.70448 
1 1 1   -8    9   33 o  266.203   29.202  154.676   28.184  162.030   47.656  150.720   34.951  264.983   47.847  267.423   33.491 -2.440002 58.40339 
1 1 1   -8    9   34 o  139.609   38.605   41.031   27.533   46.476   30.143   13.616   67.639  142.172   46.851  137.045   61.372 5.126953 77.21063 
1 1 1   -8   10    1 o  209.729   46.976   90.826   43.142   86.486   60.845   95.215   61.180  205.689   66.493  213.768   66.377 -8.078690 93.95288 
1 1 1   -8   10    2 o  605.854   85.562  875.452  195.158  817.307  271.401  937.707  280.829  582.403  123.258  629.305  118.706 -46.90192 171.1246 
1 1 1   -8   10    3 o  437.701   50.141  411.890   55.840  414.883   60.140  393.174  150.383  457.639   33.675  417.763   94.460 39.87634 100.2826 
1 1 1   -8   10    4 o  472.017   34.763  441.608   64.033  441.608   64.033   0.0000   0.0000  472.017   34.763  ?   ?       ?      ? 
1 1 1   -8   10    5 o  784.643   41.917  1227.80  128.348  1227.80  128.348   0.0000   0.0000  784.643   41.917  ?   ?       ?      ? 
1 1 1   -8   10    6 o  296.716   56.838  191.457   67.443  193.479   95.827  189.473   94.936  298.207   80.478  295.224   80.284 2.982178 113.6763 
1 1 1   -8   10    7 o  510.811   54.878  607.453   71.412  632.628   77.721  470.986  180.949  565.368   35.227  456.254  103.949 109.1140 109.7556 
1 1 1   -8   10    8 o  125.429   32.628   24.653   19.486   23.601   23.051   27.288   36.476  116.073   40.915  134.786   50.837 -18.71286 65.25679 
1 1 1   -8   10    9 o  740.728   71.571  1236.64  122.369  1251.48  130.389  1127.02  354.383  793.444   42.111  688.012  136.808 105.4321 143.1423 
1 1 1   -8   10   10 o  382.905   48.948  341.509   52.359  250.341  123.795  361.371   57.782  338.061   91.572  427.749   34.615 -89.68781 97.89580 
1 1 1   -8   10   11 o  427.622   26.589  363.901   43.943  422.174   62.254  306.035   62.037  462.410   34.499  392.834   40.468 69.57562 53.17723 
1 1 1   -8   10   12 o  491.506  103.467  536.569  192.178   0.0000   0.0000  536.569  192.178  ?   ?   491.506  103.467      ?      ? 
1 1 1   -8   10   13 o  603.690   39.286  722.289   92.552   0.0000   0.0000  722.289   92.552  ?   ?   603.690   39.286      ?      ? 
1 1 1   -8   10   14 o  153.177   29.712   40.289   14.256   36.719   15.458   60.595   36.867  133.915   30.289  172.439   51.125 -38.52473 59.42347 
1 1 1   -8   10   15 o  306.510   24.485  156.816   23.777  139.318   26.179  239.250   56.821  266.264   25.195  346.757   41.991 -80.49231 48.96910 
1 1 1   -8   10   16 o  398.237   26.776  319.823   35.442  324.791   40.810  304.577   71.488  406.411   25.732  390.062   46.964 16.34955 53.55176 
1 1 1   -8   10   17 o  521.649   26.128  491.112   44.900  453.441   50.454  634.527   98.443  479.934   26.939  563.363   44.778 -83.42889 52.25694 
1 1 1   -8   10   18 o  162.922   36.961   32.330   16.502   27.405   17.192   90.017   58.835  116.922   34.968  208.923   65.128 -92.00110 73.92202 
1 1 1   -8   10   19 o  474.206   29.176  418.302   42.888  399.810   47.418  501.457  100.552  450.442   26.976  497.971   51.743 -47.52905 58.35283 
1 1 1   -8   10   20 o  320.014   43.040  223.224   41.245  228.950   45.955  199.508   93.523  339.491   34.687  300.537   78.782 38.95465 86.07996 
1 1 1   -8   10   21 o  577.566   28.306  659.968   63.798  659.968   63.798   0.0000   0.0000  577.566   28.306  ?   ?       ?      ? 
1 1 1   -8   10   22 o  309.705   51.201  200.036   32.844  198.795   33.881  219.402  133.818  316.728   27.412  302.681   98.665 14.04691 102.4017 
1 1 1   -8   10   23 o  376.229   39.695  292.127   37.932  288.931   40.727  313.048  104.194  381.279   27.372  371.180   74.522 10.09888 79.38972 
1 1 1   -8   10   24 o  156.248   40.583   46.361   22.360   50.273   23.019 -19.1224   94.175  154.236   38.394  158.260   71.510 -4.024551 81.16506 
1 1 1   -8   10   25 o  288.076   56.533  185.553   33.446  184.766   34.059  206.831  177.086  303.379   28.769  272.774  109.345 30.60474 113.0660 
1 1 1   -8   10   26 o  175.975   47.845   37.851   19.412   35.579   19.699  114.253  114.219  129.802   37.057  222.148   88.224 -92.34601 95.69037 
1 1 1   -8   10   27 o  195.455   58.317   62.053   48.603   60.490   50.469   82.036  180.434  168.956   60.435  221.954   99.755 -52.99745 116.6343 
1 1 1   -8   10   28 o  293.216   48.213  240.080   37.785  249.587   39.729  149.977  122.306  351.055   29.000  235.376   91.961 115.6793 96.42557 
1 1 1   -8   10   29 o  292.101   56.234  210.207   56.993  194.468   63.852  271.881  126.401  287.687   58.859  296.514   95.836 -8.826721 112.4673 
1 1 1   -8   10   30 o  211.085   43.660  106.734   28.985  107.594   30.330   97.682   98.408  226.832   34.264  195.338   80.315 31.49426 87.31902 
1 1 1   -8   10   31 f  242.905   78.257  173.196   84.333   0.0000   0.0000  173.196   84.333  ?   ?   242.905   78.257      ?      ? 
1 1 1   -8   10   32 o  162.166   42.301   61.575   31.116   66.109   33.497   33.037   84.040  167.797   48.450  156.534   69.356 11.26248 84.60290 
1 1 1   -8   10   33 o  135.048   37.329   37.872   26.984   48.773   28.728 -43.8094   78.637  145.731   45.523  124.365   59.173 21.36583 74.65778 
1 1 1   -8   11    1 o  296.709   80.040  191.443   94.809  191.443   94.809   0.0000   0.0000  296.709   80.040  ?   ?       ?      ? 
1 1 1   -8   11    2 o  343.489   86.036  259.593  115.078  259.593  115.078   0.0000   0.0000  343.489   86.036  ?   ?       ?      ? 
1 1 1   -8   11    3 o  621.596   85.693  901.086  200.386  879.538  281.666  923.169  285.142  613.214  121.996  629.979  120.374 -16.76440 171.3857 
1 1 1   -8   11    4 o  466.023   70.957  486.502  125.235  473.981  176.339  499.244  177.888  459.391  101.105  472.655   99.586 -13.26373 141.9137 
1 1 1   -8   11    5 o  284.361   39.269  193.267   34.325  213.580   38.808  120.264   73.571  329.168   30.211  239.553   72.496 89.61578 78.53887 
1 1 1   -8   11    6 o  552.168   56.643  628.879   75.748  624.384   80.738  661.912  218.857  561.551   36.843  542.785  107.127 18.76624 113.2857 
1 1 1   -8   11    7 o  542.369   57.458  634.066   76.111  638.838   81.516  601.623  212.562  568.155   36.766  516.582  108.875 51.57239 114.9154 
1 1 1   -8   11    8 o  533.770   55.974  572.117   71.872  564.098   76.375  634.157  212.447  534.029   36.648  533.511  105.778 0.5179443 111.9470 
1 1 1   -8   11    9 o  744.962   68.995  1207.80  120.594  1213.09  128.466  1168.56  349.875  781.542   42.121  708.383  131.403 73.15912 137.9892 
1 1 1   -8   11   10 o  680.591   59.733  936.551   99.908  927.487  106.059  1007.96  297.699  684.080   39.729  677.102  112.666 6.977234 119.4653 
1 1 1   -8   11   11 o  653.995  124.044  982.217  304.996   0.0000   0.0000  982.217  304.996  ?   ?   653.995  124.044      ?      ? 
1 1 1   -8   11   12 o  339.252   46.328  236.163   44.853  235.005   49.005  242.145  111.348  344.697   36.431  333.806   85.193 10.89056 92.65565 
1 1 1   -8   11   13 o  692.458   26.303  973.440   67.243  1031.86   84.143  870.188  111.864  723.759   29.791  661.157   43.356 62.60242 52.60514 
1 1 1   -8   11   14 o  482.319   25.886  472.565   42.665  486.275   49.983  435.754   81.900  497.358   25.753  467.280   44.913 30.07849 51.77281 
1 1 1   -8   11   15 o  418.493   27.782  361.263   37.665  372.952   43.106  323.527   77.450  435.544   25.361  401.443   49.438 34.10114 55.56376 
1 1 1   -8   11   16 o  586.318   26.736  618.491   52.028  567.209   58.597  809.527  113.097  536.586   27.984  636.049   45.565 -99.46277 53.47181 
1 1 1   -8   11   17 o  766.220   29.097  1070.93   74.645  986.558   84.477  1371.45  159.428  706.853   30.625  825.588   49.485 -118.7346 58.19473 
1 1 1   -8   11   18 o  1227.61   38.733  2681.42  151.255  2437.88  167.404  3764.15  352.972  1106.61   38.765  1348.61   67.069 -241.9941 77.46602 
1 1 1   -8   11   19 o  543.799   55.109  602.904  116.948   0.0000   0.0000  602.904  116.948  ?   ?   543.799   55.109      ?      ? 
1 1 1   -8   11   20 o  177.604   45.705   53.831   20.282   55.730   20.534 -22.1651  129.893  164.672   33.102  190.536   85.207 -25.86375 91.41075 
1 1 1   -8   11   21 o  517.169   37.838  396.844   44.317  367.389   45.982  781.696  166.208  430.713   27.357  603.626   70.559 -172.9131 75.67688 
1 1 1   -8   11   22 o  368.508   44.139  306.404   38.602  310.839   41.153  273.930  111.365  395.812   26.643  341.204   84.162 54.60834 88.27808 
1 1 1   -8   11   23 o  286.375   43.002  132.996   27.339  123.907   28.380  250.193  101.908  249.012   29.205  323.737   80.894 -74.72441 86.00424 
1 1 1   -8   11   24 f  199.965   50.139   74.686   26.195   75.620   26.598   44.555  151.015  189.601   37.277  210.330   93.092 -20.72920 100.2781 
1 1 1   -8   11   25 o  500.569   46.060  603.259   58.199  621.770   63.422  504.561  146.449  555.600   29.251  445.539   87.353 110.0617 92.12004 
1 1 1   -8   11   26 o  135.973   43.621  -1.0692   42.147   14.890   45.743 -90.7905  108.458  128.673   53.984  143.273   68.533 -14.59979 87.24113 
1 1 1   -8   11   27 o  185.922   44.343   77.504   23.907   81.504   24.141 -126.0519  172.208  200.277   30.888  171.567   83.134 28.70964 88.68676 
1 1 1   -8   11   28 o  503.469   39.851  548.082   55.237  539.076   59.960  598.575  141.982  514.588   29.859  492.350   73.897 22.23804 79.70176 
1 1 1   -8   11   29 o  423.776   69.064  548.782   59.152  544.796   60.596  629.422  272.545  515.166   30.142  332.387  134.800 182.7793 138.1284 
1 1 1   -8   11   30 o  208.131   38.861  114.520   29.071  122.793   31.676   70.342   73.200  242.148   33.521  174.114   70.122 68.03471 77.72264 
1 1 1   -8   11   31 o  124.526   35.194   28.112   24.153   38.395   25.862 -42.0962   67.578  132.076   43.390  116.976   55.422 15.10027 70.38713 
1 1 1   -8   11   32 o  148.081   35.132   55.577   26.215   70.922   28.011 -52.6823   74.400  177.203   41.275  118.958   56.863 58.24563 70.26415 
1 1 1   -8   11   33 o  177.241   45.020   70.964   30.086   68.129   31.810   95.006   92.649  170.052   46.568  184.430   77.063 -14.37808 90.04028 
1 1 1   -8   12    1 o  281.303   54.990  169.808   62.386  169.365   88.249  170.250   88.205  280.951   77.819  281.655   77.715 -0.7045288 109.9793 
1 1 1   -8   12    2 o  244.111   51.127  125.243   52.161  125.459   73.818  125.027   73.715  244.301   72.323  243.920   72.287 0.3802185 102.2546 
1 1 1   -8   12    3 o  369.165   62.724  298.324   89.259  288.900  125.762  307.890  126.704  362.985   89.377  375.345   88.027 -12.35971 125.4472 
1 1 1   -8   12    4 o  759.736   99.805  1379.93  284.971  1421.34  406.632  1339.95  399.481  772.193  140.101  747.279  142.183 24.91473 199.6100 
1 1 1   -8   12    5 o  721.662   91.805  1200.57  253.158  1134.58  352.623  1270.77  363.672  693.557  135.143  749.766  124.295 -56.20892 183.6106 
1 1 1   -8   12    6 o  211.802   36.444   99.749   28.536  112.463   33.309   64.667   55.329  238.537   35.782  185.067   63.500 53.46951 72.88746 
1 1 1   -8   12    7 o  451.886   51.288  512.760   64.358  570.861   72.471  296.000  139.980  537.696   34.538  366.077   96.586 171.6193 102.5754 
1 1 1   -8   12    8 o  427.141   49.069  455.331   62.842  528.528   73.123  248.534  122.907  517.076   36.238  337.207   91.201 179.8691 98.13715 
1 1 1   -8   12    9 o  695.456  129.943  1122.93  339.692   0.0000   0.0000  1122.93  339.692  ?   ?   695.456  129.943      ?      ? 
1 1 1   -8   12   10 o  293.669   42.070  205.889   39.100  228.803   44.383  126.449   82.639  340.502   33.401  246.837   77.226 93.66534 84.13976 
1 1 1   -8   12   11 o  497.479   53.983  513.704   68.315  511.797   73.429  525.980  186.309  508.494   37.004  486.463  101.427 22.03113 107.9665 
1 1 1   -8   12   12 o  407.355   49.539  401.471   56.441  434.475   62.873  264.462  128.102  468.844   34.364  345.866   92.927 122.9784 99.07724 
1 1 1   -8   12   13 o  246.966   41.904  136.713   37.327  151.003   43.181   94.464   74.249  275.653   40.142  218.280   73.570 57.37288 83.80846 
1 1 1   -8   12   14 f  569.885  116.875  753.624  251.198   0.0000   0.0000  753.624  251.198  ?   ?   569.885  116.875      ?      ? 
1 1 1   -8   12   15 o  677.913   64.402  945.553   78.677  938.510   81.277  1050.38  313.566  689.653   30.200  666.173  125.214 23.47974 128.8047 
1 1 1   -8   12   16 o  505.025   30.811  558.681   49.849  606.058   57.760  420.380   98.686  554.798   26.678  455.252   55.548 99.54660 61.62271 
1 1 1   -8   12   17 o  242.336   36.192  103.549   23.379   97.698   24.893  147.331   68.089  222.529   28.665  262.142   66.466 -39.61243 72.38339 
1 1 1   -8   12   18 o  630.149   53.611  807.693  131.834   0.0000   0.0000  807.693  131.834  ?   ?   630.149   53.611      ?      ? 
1 1 1   -8   12   19 o  260.699   54.375  103.929   26.300  101.021   26.712  195.977  150.281  225.807   30.314  295.592  104.440 -69.78499 108.7503 
1 1 1   -8   12   20 o  374.904   44.767  315.091   38.480  319.606   40.811  278.927  115.504  402.061   26.011  347.747   85.672 54.31332 89.53392 
1 1 1   -8   12   21 o  257.205   42.110   78.778   21.670   70.377   22.210  245.434   98.920  187.930   30.284  326.480   78.588 -138.5505 84.22099 
1 1 1   -8   12   22 o  747.064   31.855  1119.28   92.867  1119.28   92.867   0.0000   0.0000  747.064   31.855  ?   ?       ?      ? 
1 1 1   -8   12   23 o  251.535   59.611  138.639   53.293  135.537   56.627  162.679  157.639  245.461   59.692  257.608  103.201 -12.14665 119.2212 
1 1 1   -8   12   24 o  137.149   44.130   10.947   14.224   10.400   14.341   44.209  111.921   83.642   31.797  190.657   82.333 -107.0147 88.25933 
1 1 1   -8   12   25 o  222.139   54.359  118.407   52.050  123.024   57.594   97.828  121.590  229.456   62.588  214.822   88.896 14.63431 108.7184 
1 1 1   -8   12   26 o  281.749   46.229  225.516   35.701  237.241   37.573  116.568  114.534  343.021   28.069  220.477   88.094 122.5436 92.45773 
1 1 1   -8   12   27 o  185.766   51.812   55.131   22.167   55.021   22.334   62.419  181.559  160.130   36.546  211.401   96.965 -51.27095 103.6237 
1 1 1   -8   12   28 o  154.114   41.805   46.329   22.930   49.314   23.434 -20.8187  111.142  150.062   39.483  158.167   73.700 -8.104462 83.61039 
1 1 1   -8   12   29 o  206.507   40.390  114.450   29.216  121.612   30.905   54.243   89.603  241.661   32.771  171.354   73.833 70.30630 80.77912 
1 1 1   -8   12   30 o  241.674   76.444  168.886   80.755   0.0000   0.0000  168.886   80.755  ?   ?   241.674   76.444      ?      ? 
1 1 1   -8   12   31 o  197.389   34.326  121.816   31.592  150.837   34.147 -50.6306   83.238  268.203   32.625  126.576   60.405 141.6269 68.65284 
1 1 1   -8   12   32 o  270.678   47.978  201.513   37.639  202.498   39.739  192.924  117.333  310.017   32.847  231.338   90.158 78.67973 95.95565 
1 1 1   -8   13    1 o  803.357  104.640  1556.94  315.918  1602.96  450.823  1512.55  442.835  816.354  146.915  790.360  149.043 25.99390 209.2795 
1 1 1   -8   13    2 o  417.800   66.407  382.833  105.671  361.884  148.223  404.486  150.692  405.334   95.309  430.267   92.498 -24.93329 132.8144 
1 1 1   -8   13    3 o  936.449  124.480  2258.45  438.101  2173.68  611.964  2347.56  627.464  916.004  177.608  956.894  174.460 -40.89063 248.9598 
1 1 1   -8   13    4 o  780.407  101.676  1453.81  298.241  1457.78  422.308  1449.86  421.246  781.509  143.770  779.304  143.813 2.204529 203.3520 
1 1 1   -8   13    5 o  819.796  151.026  1630.26  465.357   0.0000   0.0000  1630.26  465.357  ?   ?   819.796  151.026      ?      ? 
1 1 1   -8   13    6 o  250.839   73.776  132.228   77.033   0.0000   0.0000  132.228   77.033  ?   ?   250.839   73.776      ?      ? 
1 1 1   -8   13    7 o  858.071  159.094  1823.34  513.116   0.0000   0.0000  1823.34  513.116  ?   ?   858.071  159.094      ?      ? 
1 1 1   -8   13    8 o  149.612   35.045   43.020   24.360   53.948   31.660   27.165   38.135  162.665   47.143  136.560   51.866 26.10429 70.08923 
1 1 1   -8   13    9 o  571.471   58.968  674.822   82.722  669.520   88.357  712.461  235.415  581.144   38.960  561.797  111.315 19.34735 117.9364 
1 1 1   -8   13   10 o   92.167   27.970  -5.7915   19.212 -29.9699   29.737   11.530   25.169   80.253   37.631  104.081   41.389 -23.82773 55.93904 
1 1 1   -8   13   11 o  356.563   47.495  297.816   51.067  321.318   57.539  210.620  110.831  402.758   36.609  310.368   87.653 92.39001 94.99052 
1 1 1   -8   13   12 o  676.136   69.055  1069.09  113.908  1097.99  122.884  892.664  303.608  742.352   42.419  609.921  131.434 132.4303 138.1092 
1 1 1   -8   13   13 o  233.069   47.132  115.445   42.481  120.309   49.889  102.617   81.020  239.514   54.590  226.623   76.849 12.89082 94.26471 
1 1 1   -8   13   14 f  581.049   62.004  820.573   97.321  875.260  108.108  586.836  223.501  662.540   41.813  499.557  116.746 162.9821 124.0079 
1 1 1   -8   13   15 o  299.146   46.729  221.640   52.711  278.032   63.238   93.268   95.411  372.943   43.451  225.350   82.743 147.5933 93.45842 
1 1 1   -8   13   16 o  614.625  126.885  917.067  294.250   0.0000   0.0000  917.067  294.250  ?   ?   614.625  126.885      ?      ? 
1 1 1   -8   13   17 o  594.860   38.894  706.109   90.287  706.109   90.287   0.0000   0.0000  594.860   38.894  ?   ?       ?      ? 
1 1 1   -8   13   18 o  457.504   27.537  413.651   49.163  413.651   49.163   0.0000   0.0000  457.504   27.537  ?   ?       ?      ? 
1 1 1   -8   13   19 o  340.427   52.326  240.240   36.119  238.184   37.334  270.295  142.735  346.796   27.587  334.058  100.951 12.73813 104.6526 
1 1 1   -8   13   20 f  314.660   59.941   94.855   24.549   88.967   24.743  464.494  196.055  211.348   30.001  417.973  116.068 -206.6250 119.8822 
1 1 1   -8   13   21 o  333.264   43.651  205.108   31.529  197.445   32.853  294.486  112.199  315.073   26.719  351.456   83.112 -36.38281 87.30112 
1 1 1   -8   13   22 f  281.988   54.447  100.832   25.092   94.486   25.434  332.141  153.549  216.973   30.038  347.004  104.670 -130.0304 108.8950 
1 1 1   -8   13   23 o  290.743   55.039  213.960   59.271  222.187   67.778  187.216  122.200  316.037   57.056  265.449   94.136 50.58813 110.0773 
1 1 1   -8   13   24 f  257.738   58.189  148.503   56.523  129.756   63.309  222.158  125.487  233.927   66.311  281.550   95.639 -47.62369 116.3787 
1 1 1   -8   13   25 o  132.837   33.395   38.931   19.046   47.697   19.385 -205.3535  102.332  150.046   33.904  115.628   57.545 34.41758 66.78996 
1 1 1   -8   13   26 o  224.274   40.712  129.859   28.717  137.143   30.520   73.639   84.791  259.838   30.099  188.709   75.657 71.12837 81.42427 
1 1 1   -8   13   27 o  330.182   46.945  293.434   65.231  471.416   89.346   90.275   95.457  463.268   49.421  197.096   79.831 266.1721 93.89013 
1 1 1   -8   13   28 o  233.247   41.936  148.341   30.678  155.438   32.527   91.188   92.307  274.728   30.340  191.767   78.193 82.96036 83.87254 
1 1 1   -8   13   29 o  287.078   82.396  245.158   97.139   0.0000   0.0000  245.158   97.139  ?   ?   287.078   82.396      ?      ? 
1 1 1   -8   13   30 o  120.794   39.211   4.3463   16.294   2.4627   16.607   52.820   84.248   75.856   32.212  165.732   71.501 -89.87578 78.42250 
1 1 1   -8   13   31 o  114.907   58.006 -38.1990   8.3136 -37.1463   8.3325 -269.5113  123.519  ?   ?   114.907   58.006      ?      ? 
1 1 1   -8   13   32 o  185.168   36.144  107.812   33.003  128.706   34.035 -221.2149  135.062  245.019   35.596  125.317   62.917 119.7020 72.28847 
1 1 1   -8   14    1 o  200.072   64.941   79.637   57.996   0.0000   0.0000   79.637   57.996  ?   ?   200.072   64.941      ?      ? 
1 1 1   -8   14    2 o  600.163  116.077  815.550  262.029   0.0000   0.0000  815.550  262.029  ?   ?   600.163  116.077      ?      ? 
1 1 1   -8   14    3 o  558.375  110.735  700.188  232.771   0.0000   0.0000  700.188  232.771  ?   ?   558.375  110.735      ?      ? 
1 1 1   -8   14    4 o  264.951   53.486  148.629   58.136  162.209   83.404  135.795   81.079  275.796   75.354  254.106   75.927 21.68996 106.9728 
1 1 1   -8   14    5 o  237.258   50.313  116.689   50.386  132.364   73.179  102.560   69.478  250.446   71.397  224.071   70.909 26.37506 100.6268 
1 1 1   -8   14    6 o  277.890   55.462  165.050   62.753  170.514   90.147  159.914   87.409  282.078   78.837  273.703   78.032 8.374542 110.9248 
1 1 1   -8   14    7 o  826.375  109.757  1696.39  340.898  1638.12  477.438  1756.99  486.907  809.844  156.737  842.907  153.688 -33.06274 219.5141 
1 1 1   -8   14    8 o  557.752   58.674  677.120   85.392  684.849   92.674  633.657  219.770  587.151   40.446  528.352  110.158 58.79919 117.3485 
1 1 1   -8   14    9 f  817.784   78.446  1436.64  143.003  1423.19  150.953  1554.29  446.534  844.008   45.832  791.561  150.048 52.44629 156.8918 
1 1 1   -8   14   10 o  941.025   90.165  1985.50  182.684  1971.84  192.444  2109.99  581.010  990.990   49.763  891.061  173.327 99.92871 180.3293 
1 1 1   -8   14   11 f  435.907   53.413  426.986   68.354  443.717   76.459  360.386  152.552  471.987   41.512  399.828   98.431 72.15955 106.8263 
1 1 1   -8   14   12 o  550.884   60.190  647.542   89.478  645.791   97.454  656.947  225.820  568.533   43.925  533.235  112.080 35.29803 120.3797 
1 1 1   -8   14   13 f  497.996   57.229  524.171   80.451  520.929   88.390  539.826  194.231  510.331   44.383  485.660  105.502 24.67062 114.4574 
1 1 1   -8   14   14 o  617.217   65.875  852.683  103.867  860.940  112.379  804.291  272.066  655.910   43.904  578.523  124.220 77.38690 131.7507 
1 1 1   -8   14   15 f  850.174  179.990  2071.43  578.553   0.0000   0.0000  2071.43  578.553  ?   ?   850.174  179.990      ?      ? 
1 1 1   -8   14   16 o  549.195   44.577  606.638   95.536  606.638   95.536   0.0000   0.0000  549.195   44.577  ?   ?       ?      ? 
1 1 1   -8   14   17 o  670.440   30.726  891.551   80.388  891.551   80.388   0.0000   0.0000  670.440   30.726  ?   ?       ?      ? 
1 1 1   -8   14   18 o  366.898   54.378  314.733   42.054  318.108   43.746  273.606  152.715  400.609   27.982  333.188  105.095 67.42114 108.7567 
1 1 1   -8   14   19 o  519.038   59.256  546.069   56.304  535.887   58.124  701.044  226.756  519.073   28.695  519.003  114.985 0.6939697E-01 118.5112 
1 1 1   -8   14   20 o  255.131   27.965  129.723   27.843  129.723   27.843   0.0000   0.0000  255.131   27.965  ?   ?       ?      ? 
1 1 1   -8   14   21 o  367.938   59.100  355.562   44.618  359.932   45.987  285.417  184.235  424.336   27.771  311.541  114.890 112.7952 118.1991 
1 1 1   -8   14   22 o  243.739   61.684  135.669   60.083  133.564   64.316  150.097  168.400  238.862   66.531  248.615  103.890 -9.753601 123.3677 
1 1 1   -8   14   23 f  329.791  125.924  399.982  225.549   0.0000   0.0000  399.982  225.549  ?   ?   329.791  125.924      ?      ? 
1 1 1   -8   14   24 o  288.354   47.883  233.778   37.438  244.440   39.308  129.675  122.829  347.956   28.949  228.752   91.286 119.2037 95.76575 
1 1 1   -8   14   25 o  147.521   42.821  -2.1715   11.443  -4.5547   11.533  148.880   91.818   56.656   25.359  238.387   81.801 -181.7315 85.64163 
1 1 1   -8   14   26 o  181.079   35.676   91.896   26.457  105.847   27.577 -69.5120   93.800  227.471   31.066  134.688   64.234 92.78331 71.35183 
1 1 1   -8   14   27 o  232.967   45.598  110.509   27.422  105.558   28.509  171.758  100.276  225.782   32.357  240.151   85.263 -14.36873 91.19629 
1 1 1   -8   14   28 o  167.880   45.037   49.031   23.369   46.402   24.022   95.457  100.942  144.141   40.842  191.620   80.283 -47.47890 90.07413 
1 1 1   -8   14   29 o  221.035   44.937  119.840   30.004  119.349   31.308  125.380  105.087  238.149   33.687  203.921   83.321 34.22810 89.87374 
1 1 1   -8   14   30 o  286.099   56.891  288.420   81.483  370.813   99.321  118.808  142.503  373.249   70.778  198.949   89.088 174.2998 113.7818 
1 1 1   -8   14   31 o  308.120   49.242  336.597   49.391  355.553   51.915  155.741  160.355  410.859   32.379  205.381   93.010 205.4781 98.48480 
1 1 1   -8   15    1 f  492.801   72.511  540.817  134.907  591.714  194.476  493.607  187.301  517.121   99.987  468.481  105.044 48.63989 145.0229 
1 1 1   -8   15    2 o   62.678   21.807  -9.4979   3.9797   6.8722   6.5365 -19.1407   5.0167   62.678   21.807  ?   ?       ?      ? 
1 1 1   -8   15    3 o  368.099   62.789  297.040   89.303  269.761  125.086  325.400  127.538  349.973   90.807  386.225   86.740 -36.25214 125.5776 
1 1 1   -8   15    4 o  426.363   96.403  403.615  156.636  403.615  156.636   0.0000   0.0000  426.363   96.403  ?   ?       ?      ? 
1 1 1   -8   15    5 o  323.072   59.426  227.347   76.003  196.745  106.549  259.049  108.445  300.780   86.284  345.363   81.735 -44.58319 118.8513 
1 1 1   -8   15    6 o  693.026   89.393  1110.75  235.992  1266.00  347.259  977.523  321.692  747.276  119.080  638.777  133.357 108.4992 178.7856 
1 1 1   -8   15    7 o  274.196   55.986  160.570   63.258  179.869   92.835  143.843   86.429  288.318   79.799  260.074   78.547 28.24402 111.9711 
1 1 1   -8   15    8 o  257.039   54.323  136.306   59.081  178.310   89.537  103.913   78.629  287.109   77.922  226.968   75.711 60.14050 108.6459 
1 1 1   -8   15    9 o  481.447   57.767  511.645   83.253  523.493   93.514  466.371  182.807  511.178   46.878  451.716  105.597 59.46118 115.5348 
1 1 1   -8   15   10 o  505.830   55.846  587.122   86.430  626.272   99.259  464.359  175.768  559.388   45.470  452.272  102.017 107.1161 111.6918 
1 1 1   -8   15   11 o  696.695   67.162  1012.11  119.641  993.737  128.599  1130.40  326.275  703.900   46.816  689.491  125.901 14.40918 134.3233 
1 1 1   -8   15   12 o  199.781   44.786   74.846   43.727  128.871   60.512   15.809   63.257  246.082   62.803  153.481   63.865 92.60164 89.57120 
1 1 1   -8   15   13 f  170.042   74.645  -9.9126   95.235  -9.9126   95.235   0.0000   0.0000  170.042   74.645  ?   ?       ?      ? 
1 1 1   -8   15   14 o  681.695   45.893  935.068  122.086  935.068  122.086   0.0000   0.0000  681.695   45.893  ?   ?       ?      ? 
1 1 1   -8   15   15 o  379.791   55.051  346.587   70.516  383.729   82.373  244.712  136.424  435.174   48.506  324.408   98.842 110.7661 110.1022 
1 1 1   -8   15   16 o  451.409   48.854  415.143   86.059  415.143   86.059   0.0000   0.0000  451.409   48.854  ?   ?       ?      ? 
1 1 1   -8   15   17 o  695.976   46.727  988.769  126.910  988.769  126.910   0.0000   0.0000  695.976   46.727  ?   ?       ?      ? 
1 1 1   -8   15   18 o  717.063   79.492  1225.46   97.516  1217.41  100.693  1347.05  391.318  779.574   33.099  654.552  155.501 125.0222 158.9845 
1 1 1   -8   15   19 o  185.864   42.552   69.903   21.304   72.203   21.718   11.260  109.666  190.090   29.277  181.638   79.909 8.452606 85.10387 
1 1 1   -8   15   20 o  412.982   29.367  342.049   47.328  342.049   47.328   0.0000   0.0000  412.982   29.367  ?   ?       ?      ? 
1 1 1   -8   15   21 o  365.915   64.498  355.702   76.879  359.434   83.802  335.875  193.169  409.248   52.473  322.582  117.842 86.66525 128.9966 
1 1 1   -8   15   22 o  149.665   44.574   31.675   17.739   33.018   17.877 -54.1794  142.936  125.190   35.150  174.140   81.926 -48.94994 89.14818 
1 1 1   -8   15   23 o  188.269   45.679   76.367   23.951   79.803   24.174 -107.4547  176.821  198.269   31.243  178.268   85.849 20.00113 91.35767 
1 1 1   -8   15   24 o  351.745   66.564  273.978   40.706  267.906   41.303  479.473  240.275  363.772   29.095  339.718  129.909 24.05447 133.1276 
1 1 1   -8   15   25 o  258.601  116.910  260.296  252.099   0.0000   0.0000  260.296  252.099  ?   ?   258.601  116.910      ?      ? 
1 1 1   -8   15   26 o  315.270   72.202  306.863   82.503  288.923   86.322  496.286  280.494  340.371   67.373  290.169  127.724 50.20184 144.4040 
1 1 1   -8   15   27 o  211.343   52.380  102.724   30.923  103.426   31.158   56.721  252.193  221.095   36.112  201.591   98.339 19.50407 104.7601 
1 1 1   -8   15   28 o  211.292   51.836  104.790   29.597  105.319   29.782   62.682  265.715  223.535   34.142  199.049   97.889 24.48532 103.6717 
1 1 1   -8   15   29 o   94.087   35.395   15.327   17.658   15.327   17.658   0.0000   0.0000   94.087   35.395  ?   ?       ?      ? 
1 1 1   -8   15   30 o   71.762   30.570   1.7902   15.043   1.7902   15.043   0.0000   0.0000   71.762   30.570  ?   ?       ?      ? 
1 1 1   -8   16    1 o  188.472   44.120   69.964   37.887   76.548   52.009   62.518   55.305  194.364   61.334  182.580   63.438 11.78484 88.23921 
1 1 1   -8   16    2 f  341.678   61.451  256.799   82.177  243.867  115.635  269.994  116.806  332.727   87.785  350.628   86.016 -17.90063 122.9024 
1 1 1   -8   16    3 o  177.243   43.649   57.508   37.246   71.170   54.105   45.202   51.350  189.909   62.777  164.578   60.661 25.33165 87.29707 
1 1 1   -8   16    4 o  784.760  101.700  1499.20  304.294  1684.59  446.837  1338.87  415.540  840.786  136.186  728.734  151.081 112.0527 203.4008 
1 1 1   -8   16    5 o  647.357   89.262  991.019  217.315  1051.36  312.996  934.855  301.960  668.295  124.600  626.419  127.852 41.87573 178.5250 
1 1 1   -8   16    6 o  712.905   97.901  1242.09  262.546  1245.21  372.187  1238.99  370.410  713.619  138.644  712.191  138.262 1.428284 195.8027 
1 1 1   -8   16    7 o  659.464   91.275  1039.18  226.338  1119.93  327.955  965.744  312.766  686.323  127.131  632.605  131.005 53.71826 182.5499 
1 1 1   -8   16    8 o  677.642   94.326  1113.79  240.501  1157.26  345.185  1072.79  335.271  691.467  132.749  663.818  134.041 27.64893 188.6517 
1 1 1   -8   16    9 o  448.065   56.889  408.424   84.289  386.437   96.766  477.576  171.608  436.038   56.868  460.091   98.548 -24.05383 113.7789 
1 1 1   -8   16   10 o  381.084   53.221  340.846   72.257  403.835   89.338  221.700  122.870  447.218   51.190  314.949   93.324 132.2692 106.4413 
1 1 1   -8   16   11 o  513.035  116.519  626.619  227.961  626.619  227.961   0.0000   0.0000  513.035  116.519  ?   ?       ?      ? 
1 1 1   -8   16   12 o  529.924   50.328  568.385  104.076  568.385  104.076   0.0000   0.0000  529.924   50.328  ?   ?       ?      ? 
1 1 1   -8   16   13 o  375.248   57.016  303.143   75.599  296.054   89.424  320.905  141.538  378.603   60.525  371.892   96.643 6.710968 114.0319 
1 1 1   -8   16   14 o  336.606   52.783  266.669   68.801  334.322   88.390  162.669  109.591  402.795   56.232  270.416   89.344 132.3792 105.5668 
1 1 1   -8   16   15 o  749.588   78.544  1440.18  156.821  1496.56  173.590  1189.91  365.722  852.927   52.153  646.249  148.178 206.6781 157.0881 
1 1 1   -8   16   16 o  460.895   60.685  553.471   88.764  620.841  103.094  360.414  174.521  549.904   48.041  371.886  111.458 178.0182 121.3704 
1 1 1   -8   16   17 o  419.161   57.903  463.101   81.044  531.911   95.557  286.770  152.968  507.111   48.287  331.210  105.258 175.9015 115.8055 
1 1 1   -8   16   18 o  245.151   53.034  148.536   61.485  197.677   75.347   50.592  106.374  294.706   67.029  195.596   82.205 99.11008 106.0685 
1 1 1   -8   16   19 o  287.134   63.348  216.724   77.343  229.751   91.098  183.089  146.376  309.403   75.999  264.865  101.369 44.53854 126.6952 
1 1 1   -8   16   20 o  356.722   60.109  381.971   85.891  448.456   99.149  182.051  171.932  453.819   55.986  259.624  106.385 194.1946 120.2175 
1 1 1   -8   16   21 o  220.271   47.867  109.469   26.064  111.300   26.488   53.631  146.263  234.966   28.888  205.577   91.271 29.38933 95.73325 
1 1 1   -8   16   22 o  402.375   68.579  489.723   92.083  505.997  100.428  403.827  230.723  481.418   53.457  323.333  126.312 158.0851 137.1585 
1 1 1   -8   16   23 o  271.807   56.733  178.546   33.445  178.682   33.870  173.241  211.767  297.011   29.222  246.603  109.638 50.40833 113.4657 
1 1 1   -8   16   24 o  436.647   74.299  492.535   55.395  482.368   56.371  778.521  298.974  486.686   29.681  386.607  145.604 100.0790 148.5979 
1 1 1   -8   16   25 o  227.255  106.825  166.490  242.159   0.0000   0.0000  166.490  242.159  ?   ?   227.255  106.825      ?      ? 
1 1 1   -8   16   26 o  240.573   54.248  148.466   35.898  148.340   36.316  153.847  237.257  265.438   35.059  215.707  102.675 49.73041 108.4958 
1 1 1   -8   16   27 o  147.613   47.251   30.556   18.211   31.512   18.261 -145.1187  247.536  120.479   36.041  174.746   87.361 -54.26774 94.50300 
1 1 1   -8   16   28 o  109.035   37.627   24.286   19.441   24.286   19.441   0.0000   0.0000  109.035   37.627  ?   ?       ?      ? 
1 1 1   -8   16   29 o  216.428   46.591  132.734   31.726  136.243   32.105 -13.4434  207.233  254.639   32.308  178.216   87.401 76.42332 93.18111 
1 1 1   -8   16   30 o  114.904   41.840   2.5241   14.559   3.1586   14.608 -92.0386  178.334   72.346   30.437  157.462   77.949 -85.11591 83.68078 
1 1 1   -8   17    1 o  311.364   54.178  214.771   66.650  265.690   90.662  154.891   98.316  353.779   68.141  268.949   84.248 84.82986 108.3553 
1 1 1   -8   17    2 o  242.528   53.115  123.638   55.521  134.540   79.503  113.260   77.570  251.348   75.204  233.708   75.028 17.63985 106.2302 
1 1 1   -8   17    3 o  532.405   78.550  654.108  157.908  677.371  225.616  631.771  221.084  542.476  110.332  522.335  111.835 20.14093 157.0997 
1 1 1   -8   17    4 o  338.193   62.647  253.533   83.690  272.198  120.909  236.365  115.959  350.063   88.468  326.322   88.724 23.74149 125.2937 
1 1 1   -8   17    5 o  634.365   88.827  959.110  212.009  1028.40  306.643  895.656  293.445  658.435  123.887  610.295  127.331 48.14069 177.6548 
1 1 1   -8   17    6 o  481.328   74.881  532.291  136.812  539.559  195.492  525.315  191.532  484.332  106.344  478.324  105.448 6.008057 149.7611 
1 1 1   -8   17    7 o  840.523  171.481  1933.55  543.416  1933.55  543.416   0.0000   0.0000  840.523  171.481  ?   ?       ?      ? 
1 1 1   -8   17    8 o  833.503  172.240  1923.16  541.712  1923.16  541.712   0.0000   0.0000  833.503  172.240  ?   ?       ?      ? 
1 1 1   -8   17    9 o  263.622   87.223  148.518  104.436  148.518  104.436   0.0000   0.0000  263.622   87.223  ?   ?       ?      ? 
1 1 1   -8   17   10 o  556.077   63.698  736.815  112.323  799.255  131.580  569.094  215.651  626.437   53.825  485.716  115.467 140.7210 127.3963 
1 1 1   -8   17   11 o  401.043   58.541  363.994   85.912  387.728  106.757  320.377  144.725  431.910   63.339  370.175   98.469 61.73511 117.0811 
1 1 1   -8   17   12 o  1028.09   58.707  2188.82  235.533  2188.82  235.533   0.0000   0.0000  1028.09   58.707  ?   ?       ?      ? 
1 1 1   -8   17   13 o  567.069   67.640  786.511  118.055  828.295  135.536  655.141  240.324  633.054   54.863  501.084  123.656 131.9699 135.2805 
1 1 1   -8   17   14 o  409.478   57.521  415.328   84.886  496.718  106.065  270.309  141.579  488.211   55.671  330.744  100.674 157.4672 115.0418 
1 1 1   -8   17   15 o  476.285   63.184  570.688   97.280  611.785  113.156  454.278  190.444  541.135   53.585  411.435  114.446 129.7005 126.3689 
1 1 1   -8   17   16 o  244.055   58.414  140.031   68.028  169.178   88.364   97.618  106.593  267.397   79.121  220.714   85.956 46.68359 116.8275 
1 1 1   -8   17   17 o  190.096   51.314   40.848   60.196  139.237   88.152 -45.1152   82.398  241.884   80.139  138.307   64.110 103.5771 102.6275 
1 1 1   -8   17   18 o  255.199   62.729  167.347   76.970  184.196   96.579  138.016  127.428  270.591   83.294  239.807   93.819 30.78404 125.4589 
1 1 1   -8   17   19 f  167.631   51.641   18.079   64.424   45.666   86.341 -16.5713   96.765  177.688   74.332  157.574   71.708 20.11354 103.2825 
1 1 1   -8   17   20 f  283.966   67.561  231.546   89.351  248.465  110.247  199.160  152.529  305.218   87.831  262.714  102.682 42.50388 135.1215 
1 1 1   -8   17   21 o  227.090   49.709  119.620   29.624  121.780   30.132   57.230  161.928  244.747   31.549  209.433   94.279 35.31363 99.41789 
1 1 1   -8   17   22 o  262.672   66.076  203.437   83.212  215.852   91.383  143.174  201.333  288.412   78.907  236.933  106.009 51.47902 132.1524 
1 1 1   -8   17   23 o  198.323   52.112   74.726   24.291   75.191   24.457   40.865  208.557  188.238   34.568  208.407   98.325 -20.16824 104.2240 
1 1 1   -8   17   24 o  319.877   59.510  323.449   54.137  326.030   55.400  268.749  255.055  394.257   36.008  245.498  113.442 148.7583 119.0194 
1 1 1   -8   17   25 o  208.851   51.097   99.131   29.746   99.632   30.042   74.119  212.463  217.348   35.420  200.355   95.860 16.99280 102.1941 
1 1 1   -8   17   26 o  149.188   49.212   25.479   16.690   25.541   16.737   14.517  222.431  109.821   34.808  188.555   92.062 -78.73402 98.42306 
1 1 1   -8   17   27 o  366.884   30.139  279.372   43.151  279.372   43.151   0.0000   0.0000  366.884   30.139  ?   ?       ?      ? 
1 1 1   -8   17   28 o  157.125   52.842   16.369   16.962   14.593   17.038  215.744  180.488   92.118   34.744  222.132   99.809 -130.0144 105.6835 
1 1 1   -8   17   29 o  189.730   50.319   72.105   24.790   70.384   25.041  156.470  175.325  177.834   37.275  201.626   93.480 -23.79175 100.6377 
1 1 1   -8   18    1 o  412.014   59.242  383.486   92.590  480.581  125.177  266.191  137.583  482.032   66.545  341.997   98.031 140.0350 118.4833 
1 1 1   -8   18    2 o  365.681   76.503  290.278  105.665  290.278  105.665   0.0000   0.0000  365.681   76.503  ?   ?       ?      ? 
1 1 1   -8   18    3 o  111.219   47.441   1.0671   36.316   1.0671   36.316   0.0000   0.0000  111.219   47.441  ?   ?       ?      ? 
1 1 1   -8   18    4 o  195.640   69.604   71.736   66.859   71.736   66.859   0.0000   0.0000  195.640   69.604  ?   ?       ?      ? 
1 1 1   -8   18    5 o  308.994   88.261  213.546  111.718  213.546  111.718   0.0000   0.0000  308.994   88.261  ?   ?       ?      ? 
1 1 1   -8   18    6 o  131.629   38.550   13.062   31.325   5.7868   53.341   16.892   38.701  136.199   57.777  127.059   51.052 9.140160 77.10079 
1 1 1   -8   18    7 o  146.847   40.314   13.278   32.988   66.408   57.996 -12.1329   40.108  186.109   64.946  107.585   47.779 78.52419 80.62766 
1 1 1   -8   18    8 o  615.869   91.877  954.382  213.673  1042.97  312.671  876.763  292.677  644.754  128.776  586.984  131.083 57.76959 183.7549 
1 1 1   -8   18    9 o  174.992   50.363   32.060   49.700   53.816   92.637   23.267   58.894  197.218   79.076  152.767   62.393 44.45044 100.7265 
1 1 1   -8   18   10 o  213.587   56.582   62.713   56.750  148.841  115.564   35.343   65.145  261.323   91.651  165.852   66.378 95.47041 113.1633 
1 1 1   -8   18   11 o  217.817   57.100   87.837   62.820  118.260  103.331   70.000   79.120  238.094   86.308  197.540   74.784 40.55478 114.2001 
1 1 1   -8   18   12 o  198.941   52.575   43.797   54.062  147.754   98.838  -0.5835   64.579  255.206   84.872  142.676   62.075 112.5300 105.1505 
1 1 1   -8   18   13 o  309.584   51.865  203.515   73.619  391.621  109.208   46.829   99.671  425.927   65.704  193.241   80.268 232.6859 103.7298 
1 1 1   -8   18   14 o  450.846   63.569  522.048  106.950  654.634  140.500  339.376  164.916  547.711   65.734  353.981  108.825 193.7300 127.1370 
1 1 1   -8   18   15 o  259.243   63.050  163.424   77.900  197.800  112.362  131.607  108.096  280.192   90.336  238.294   87.979 41.89795 126.0991 
1 1 1   -8   18   16 o  383.242   54.999  388.043   86.924  604.641  118.138  132.365  128.355  528.134   57.321  238.349   93.882 289.7849 109.9979 
1 1 1   -8   18   17 o  284.573   54.852  204.081   77.847  347.550  104.808   27.529  116.266  382.971   72.790  186.174   82.077 196.7968 109.7040 
1 1 1   -8   18   18 o  184.046   56.200   41.194   73.617   51.929   97.234   26.777  112.687  185.591   78.328  182.501   80.613 3.089371 112.4000 
1 1 1   -8   18   19 o  334.984   81.332  285.937  105.255  285.937  105.255   0.0000   0.0000  334.984   81.332  ?   ?       ?      ? 
1 1 1   -8   18   20 o  148.571   49.705 -59.6679   74.518 -37.5068   92.485 -100.6785  125.812  145.401   67.578  151.741   72.907 -6.340408 99.40916 
1 1 1   -8   18   21 o  407.792   69.399  567.080  114.414  631.448  130.973  359.711  235.083  520.788   64.445  294.796  122.930 225.9919 138.7985 
1 1 1   -8   18   22 o  174.238   58.202 -137.1000   87.101 -249.1883  100.870  191.451  172.696  106.208   53.463  242.267  103.400 -136.0585 116.4037 
1 1 1   -8   18   23 o  216.017   44.650  136.985   34.336  146.035   34.863 -156.0019  198.363  264.800   33.737  167.234   82.682 97.56682 89.30043 
1 1 1   -8   18   24 o  203.125   50.547   87.408   26.204   87.290   26.435   94.091  198.913  204.312   33.155  201.938   95.502 2.373627 101.0937 
1 1 1   -8   18   25 o  270.667   35.133  155.085   37.109  155.085   37.109   0.0000   0.0000  270.667   35.133  ?   ?       ?      ? 
1 1 1   -8   18   26 o  178.118   52.828   49.910   21.388   48.995   21.488  147.196  221.598  148.688   37.142  207.548   98.912 -58.85953 105.6554 
1 1 1   -8   18   27 o  276.723   57.025  194.105   35.053  189.502   35.580  346.170  204.489  301.698   30.220  251.747  109.973 49.95020 114.0500 
1 1 1   -8   18   28 o  174.607   46.280   63.349   22.342   63.488   22.545   55.700  167.121  169.798   35.180  179.416   85.613 -9.618179 92.55963 
1 1 1   -8   19    1 o  781.316   95.853  1366.18  292.258  1366.18  292.258   0.0000   0.0000  781.316   95.853  ?   ?       ?      ? 
1 1 1   -8   19    2 o  702.561   86.034  1078.31  235.877  1078.31  235.877   0.0000   0.0000  702.561   86.034  ?   ?       ?      ? 
1 1 1   -8   19    3 o  715.396   88.889  1128.47  248.157  1128.47  248.157   0.0000   0.0000  715.396   88.889  ?   ?       ?      ? 
1 1 1   -8   19    4 o  140.975   38.824   4.8614   33.941   64.964   52.908 -37.1685   44.244  181.789   62.099  100.161   46.615 81.62783 77.64828 
1 1 1   -8   19    5 o  337.886   66.216  265.996   90.300  264.204  130.901  267.623  124.729  336.018   95.386  339.754   91.868 -3.736145 132.4320 
1 1 1   -8   19    6 o  383.524   70.917  351.345  107.227  357.355  155.826  345.939  147.777  385.541  101.995  381.507   98.560 4.034454 141.8342 
1 1 1   -8   19    7 o  388.322   71.954  365.595  110.278  358.062  161.266  372.210  151.140  382.125  104.937  394.520   98.478 -12.39584 143.9088 
1 1 1   -8   19    8 o  699.658  168.862  1541.37  455.782  1541.37  455.782   0.0000   0.0000  699.658  168.862  ?   ?       ?      ? 
1 1 1   -8   19    9 o  311.386   70.177  239.248   96.410  208.825  153.920  258.890  123.677  294.455  105.519  328.317   92.548 -33.86206 140.3544 
1 1 1   -8   19   10 o  535.521  139.504  843.562  294.451  843.562  294.451   0.0000   0.0000  535.521  139.504  ?   ?       ?      ? 
1 1 1   -8   19   11 o  146.086   60.857   18.728   57.532   0.0000   0.0000   18.728   57.532  ?   ?   146.086   60.857      ?      ? 
1 1 1   -8   19   12 o  343.298   66.960  245.826   89.215  482.136  168.122  153.197  105.258  432.772  101.333  253.823   87.556 178.9496 133.9195 
1 1 1   -8   19   13 o  173.218   54.792   8.2839   61.868   13.824  141.294   6.9699   68.816  198.323   88.766  148.114   64.259 50.20937 109.5837 
1 1 1   -8   19   14 o  298.381   66.240  235.591   85.589  240.676  111.244  228.214  133.985  306.551   88.231  290.211   98.823 16.34079 132.4790 
1 1 1   -8   19   15 o  265.716   64.853  187.633   82.710  209.392  109.273  158.445  126.560  282.683   88.862  248.749   94.483 33.93446 129.7057 
1 1 1   -8   19   16 o  282.043   62.648  211.848   84.484  306.573  116.942  108.437  122.186  343.143   87.161  220.943   90.011 122.1997 125.2961 
1 1 1   -8   19   17 o  186.907   57.207   38.680   78.559  -9.2536  113.104   83.360  109.197  169.415   77.262  204.399   84.386 -34.98450 114.4130 
1 1 1   -8   19   18 o  253.827   62.117  176.733   83.031  241.081  106.064   74.881  133.440  300.740   86.032  206.915   89.626 93.82494 124.2345 
1 1 1   -8   19   19 o  221.271   82.033  123.700   94.170  123.700   94.170   0.0000   0.0000  221.271   82.033  ?   ?       ?      ? 
1 1 1   -8   19   20 o  318.858   68.633  328.682   95.579  347.939  109.643  267.731  195.068  367.122   78.882  270.594  112.336 96.52829 137.2654 
1 1 1   -8   19   21 o  250.632   80.968  259.988  173.714  269.408  327.767  256.309  204.851  246.208  118.131  255.056  110.763 -8.848221 161.9362 
1 1 1   -8   19   22 o  317.183   61.677  371.338   95.743  418.120  106.549  175.154  218.194  410.689   66.482  223.677  103.905 187.0121 123.3533 
1 1 1   -8   19   23 o   55.405   24.440  -2.3691   10.324  -2.3691   10.324   0.0000   0.0000   55.405   24.440  ?   ?       ?      ? 
1 1 1   -8   19   24 o  264.940   31.783  146.525   32.861  146.525   32.861   0.0000   0.0000  264.940   31.783  ?   ?       ?      ? 
1 1 1   -8   19   25 o  246.840   45.530  205.089   37.025  213.629   37.522 -110.9297  228.259  320.879   29.965  172.800   85.989 148.0794 91.06043 
1 1 1   -8   19   26 o  178.490   44.664   74.112   24.239   75.919   24.505  -7.5997  164.787  186.702   34.918  170.279   82.221 16.42282 89.32849 
1 1 1   -8   19   27 o  255.976   47.900  206.897   35.412  210.315   36.146  125.321  176.577  317.776   29.148  194.176   91.258 123.5999 95.79997 
1 1 1   -8   20    1 o  280.268   60.562  185.184   74.855  224.450   96.511  125.900  118.588  313.990   78.869  246.546   91.926 67.44365 121.1231 
1 1 1   -8   20    2 o  723.236   97.288  1221.40  274.581  1221.40  274.581   0.0000   0.0000  723.236   97.288  ?   ?       ?      ? 
1 1 1   -8   20    3 o  132.174   39.475  -3.4014   36.579   36.287   54.359 -36.2434   49.449  156.949   61.311  107.399   49.741 49.54998 78.95078 
1 1 1   -8   20    4 o  207.303   50.545   77.075   52.653  142.071   79.494   26.273   70.280  251.402   75.195  163.204   67.564 88.19806 101.0904 
1 1 1   -8   20    5 o  269.351   59.370  158.939   70.088  228.718  108.640  109.190   91.731  311.280   86.387  227.422   81.463 83.85800 118.7391 
1 1 1   -8   20    6 o  178.509   50.111   48.573   51.399   42.515   82.174   52.466   65.877  180.655   73.732  176.364   67.882 4.290878 100.2215 
1 1 1   -8   20    7 o  455.677  113.026  548.385  200.012   0.0000   0.0000  548.385  200.012  ?   ?   455.677  113.026      ?      ? 
1 1 1   -8   20    8 o  220.641   76.641  106.594   80.719   0.0000   0.0000  106.594   80.719  ?   ?   220.641   76.641      ?      ? 
1 1 1   -8   20    9 o  394.426  105.295  412.165  165.105   0.0000   0.0000  412.165  165.105  ?   ?   394.426  105.295      ?      ? 
1 1 1   -8   20   10 o  456.093  139.630  691.261  271.822  691.261  271.822   0.0000   0.0000  456.093  139.630  ?   ?       ?      ? 
1 1 1   -8   20   11 o  424.851  137.728  622.138  260.909  622.138  260.909   0.0000   0.0000  424.851  137.728  ?   ?       ?      ? 
1 1 1   -8   20   12 f  481.353  161.661  993.263  358.499  993.263  358.499   0.0000   0.0000  481.353  161.661  ?   ?       ?      ? 
1 1 1   -8   20   13 o  206.517   60.094   81.476   78.280   54.064  123.969   99.653  100.952  199.765   86.458  213.268   83.487 -13.50301 120.1874 
1 1 1   -8   20   14 o  222.107   62.300  114.009   80.146  118.050  119.744  110.729  107.871  224.977   90.010  219.237   86.157 5.739700 124.5990 
1 1 1   -8   20   15 o  232.527   58.938  117.635   77.062  229.463  110.144   10.404  107.856  291.857   88.788  173.198   77.535 118.6594 117.8768 
1 1 1   -8   20   16 o  343.986   51.333  299.124   89.961  595.308  125.587 -13.0277  128.928  511.752   62.886  176.220   81.153 335.5319 102.6669 
1 1 1   -8   20   17 o  203.679   59.619   80.496   82.378  135.068  105.155  -6.2061  132.543  228.710   86.303  178.649   82.276 50.06111 119.2376 
1 1 1   -8   20   18 f  296.669   58.673  270.992   91.695  395.599  112.755   27.659  157.566  397.807   75.392  195.532   89.924 202.2750 117.3466 
1 1 1   -8   20   19 o  305.361  137.512  605.884  344.845  605.884  344.845   0.0000   0.0000  305.361  137.512  ?   ?       ?      ? 
1 1 1   -8   20   20 f  190.435   55.193   76.354   75.250  143.153   90.528 -72.9997  135.364  224.894   80.888  155.975   75.114 68.91910 110.3855 
1 1 1   -8   20   21 o  188.020   72.446   90.467   75.097   90.467   75.097   0.0000   0.0000  188.020   72.446  ?   ?       ?      ? 
1 1 1   -8   20   22 o  247.982   72.367  170.077   74.377  170.077   74.377   0.0000   0.0000  247.982   72.367  ?   ?       ?      ? 
1 1 1   -8   20   23 o  317.710   61.877  385.995   89.700  403.982   96.575  272.986  242.075  405.525   61.026  229.894  107.662 175.6302 123.7548 
1 1 1   -8   20   24 o  194.640   49.888   79.253   24.670   78.673   24.889  111.691  186.196  190.475   34.765  198.805   93.523 -8.330612 99.77518 
1 1 1   -8   20   25 o  220.551   46.928  129.764   29.027  130.909   29.501   95.006  162.521  250.627   30.164  190.474   88.878 60.15234 93.85684 
1 1 1   -8   20   26 f  115.387   40.510   7.1416   14.124   7.7405   14.188 -58.2773  148.282   77.652   31.013  153.122   74.848 -75.46922 81.01929 
1 1 1   -8   21    1 o  400.699   85.567  423.896  139.363  604.044  241.753  334.233  170.555  450.885  130.152  350.514  111.118 100.3708 171.1340 
1 1 1   -8   21    2 o  248.095   68.035   16.425   77.510  362.236  195.898 -47.7595   84.397  355.582  119.502  140.608   65.073 214.9735 136.0703 
1 1 1   -8   21    3 o  268.250   75.245  150.271   93.707  208.834  244.898  140.226  101.425  290.700  123.578  245.799   85.881 44.90077 150.4894 
1 1 1   -8   21    4 o  503.363  126.566  736.306  248.361   0.0000   0.0000  736.306  248.361  ?   ?   503.363  126.566      ?      ? 
1 1 1   -8   21    5 o  231.497   59.201  121.134   68.310  116.092  106.123  124.701   89.261  230.001   86.722  232.992   80.613 -2.990646 118.4025 
1 1 1   -8   21    6 o  312.168   69.499  254.700   93.793  273.845  143.494  240.419  123.932  319.148  102.002  305.188   94.423 13.95996 138.9971 
1 1 1   -8   21    7 o  281.008   67.478  204.011   87.440  211.742  137.156  198.718  113.495  282.777   99.790  279.239   90.856 3.537415 134.9552 
1 1 1   -8   21    8 o  244.623   98.260  139.867  143.319  139.867  143.319   0.0000   0.0000  244.623   98.260  ?   ?       ?      ? 
1 1 1   -8   21    9 f  161.617   51.661   5.0553   57.828 -50.4966  138.701   16.743   63.621  175.557   81.981  147.676   62.887 27.88152 103.3230 
1 1 1   -8   21   10 o  208.638   62.216   72.059   73.996  105.403  162.307   63.311   83.139  230.664   99.380  186.611   74.881 44.05363 124.4326 
1 1 1   -8   21   11 o  240.442   68.432  141.014   92.518  142.099  180.913  140.630  107.661  244.144  105.055  236.740   87.723 7.404129 136.8648 
1 1 1   -8   21   12 o  353.237  136.390  516.504  266.595  516.504  266.595   0.0000   0.0000  353.237  136.390  ?   ?       ?      ? 
1 1 1   -8   21   13 o  188.317   58.564   38.118   83.402   22.538  123.212   51.294  113.306  185.158   82.881  191.476   82.763 -6.317993 117.1280 
1 1 1   -8   21   14 o  206.585   59.605   89.124   75.336   72.011   99.899  111.688  114.713  194.828   80.596  218.342   87.836 -23.51411 119.2094 
1 1 1   -8   21   15 o  154.623   49.236 -16.4995   60.744 -54.9455   76.420   49.473  100.107  126.153   59.518  183.093   78.449 -56.94019 98.47171 
1 1 1   -8   21   16 f  201.042   55.669   94.237   65.707  121.823   79.253   33.586  117.516  219.457   75.959  182.628   81.403 36.82936 111.3377 
1 1 1   -8   21   17 f  191.306   64.090   9.0074  113.992 -85.9881  259.166   31.793  126.928  199.405   97.782  183.206   82.879 16.19861 128.1801 
1 1 1   -8   21   18 f  334.454   82.659   85.617   90.816  310.045  107.264 -482.5072  170.662  334.454   82.659  ?   ?       ?      ? 
1 1 1   -8   21   19 o  236.306   80.176  162.061   88.189  162.061   88.189   0.0000   0.0000  236.306   80.176  ?   ?       ?      ? 
1 1 1   -8   21   20 o  134.266   44.002 -12.2654   52.614   4.9915   62.322 -55.0807   98.166  132.051   59.039  136.481   65.261 -4.429657 88.00346 
1 1 1   -8   21   21 o  197.563   53.871  111.746   59.833  127.338   69.971   69.330  115.408  214.147   71.420  180.980   80.669 33.16731 107.7416 
1 1 1   -8   21   22 f  160.298   48.787   41.297   59.146   80.970   71.528 -44.4785  105.175  178.592   70.166  142.005   67.805 36.58698 97.57464 
1 1 1   -8   21   23 o  198.993   53.700  120.599   63.491  148.132   70.970   10.226  142.093  229.156   71.545  168.830   80.099 60.32619 107.3994 
1 1 1   -8   21   24 o  130.812   45.711 -93.6634   55.136 -127.9695   61.202   54.120  127.026   87.735   43.797  173.889   80.249 -86.15379 91.42234 
1 1 1   -8   22    1 o  248.070   61.811  139.384   84.691  245.195  116.332   20.062  123.535  307.012   90.767  189.128   83.928 117.8837 123.6225 
1 1 1   -8   22    2 f  239.553   61.915  137.054   81.319  195.388  105.713   52.510  127.266  276.442   87.465  202.663   87.656 73.77878 123.8297 
1 1 1   -8   22    3 o  131.840   41.861 -48.3200   51.478   32.515   65.849 -175.3598   82.551  158.905   65.560  104.776   52.068 54.12935 83.72108 
1 1 1   -8   22    4 o  317.475   66.844  270.951   92.697  352.578  131.700  190.809  130.496  367.611   92.019  267.340   96.979 100.2719 133.6873 
1 1 1   -8   22    5 o  150.564   46.685 -11.4584   49.686   56.979   88.510 -42.9480   60.038  185.812   76.257  115.316   53.879 70.49555 93.37083 
1 1 1   -8   22    6 o  340.346   72.535  329.695  104.489  364.642  151.654  298.112  144.169  358.008  103.009  322.683  102.147 35.32501 145.0690 
1 1 1   -8   22    7 o  326.061   76.781  325.578  115.039  305.036  179.672  339.850  149.762  309.454  113.558  342.669  103.373 -33.21414 153.5629 
1 1 1   -8   22    8 o  226.158   64.570  114.999   82.380  134.132  154.167  107.352   97.462  236.854   99.224  215.462   82.656 21.39214 129.1409 
1 1 1   -8   22    9 o  219.238   64.153  105.738   87.795   62.669  163.590  123.161  104.049  213.630   95.572  224.846   85.606 -11.21600 128.3056 
1 1 1   -8   22   10 o  190.135   60.557 -27.0575   66.988  199.560  173.893 -66.5479   72.591  260.740  106.934  119.531   56.867 141.2094 121.1141 
1 1 1   -8   22   11 o  174.397   58.267 -11.7520   68.802   17.334  198.271 -15.7339   73.360  210.491   98.201  138.303   62.744 72.18752 116.5342 
1 1 1   -8   22   12 o  246.585   70.766  173.350  116.838 -53.8777  257.074  232.506  131.167  211.878  102.401  281.293   97.699 -69.41513 141.5312 
1 1 1   -8   22   13 o  181.092   60.925  -9.9493   93.268 -268.4191  286.734   20.634   98.632  192.593   95.926  169.591   75.139 23.00169 121.8506 
1 1 1   -8   22   14 f  299.749   88.713  372.476  163.215  511.465  347.830  333.232  184.826  297.960  135.733  301.537  114.265 -3.576172 177.4254 
1 1 1   -8   22   15 o  279.034   83.615  338.970  162.330  297.987  321.915  352.945  187.980  256.681  121.423  301.387  114.988 -44.70630 167.2299 
1 1 1   -8   22   16 o  189.356   76.857   83.862   88.678   83.862   88.678   0.0000   0.0000  189.356   76.857  ?   ?       ?      ? 
1 1 1   -8   22   17 o  292.585   80.594  243.070   94.955  243.070   94.955   0.0000   0.0000  292.585   80.594  ?   ?       ?      ? 
1 1 1   -8   22   18 o  132.331   61.325 -18.2351   75.330 -18.2351   75.330   0.0000   0.0000  132.331   61.325  ?   ?       ?      ? 
1 1 1   -8   22   19 o  177.679   53.714   69.316   61.306   64.361   71.790   82.661  117.820  168.785   68.905  186.573   82.419 -17.78886 107.4282 
1 1 1   -8   22   20 o  166.085   51.452   50.378   60.815   57.724   71.480   31.123  115.728  164.255   68.080  167.915   77.165 -3.660263 102.9046 
1 1 1   -8   22   21 o  230.385   60.237  182.673   76.381  205.492   89.763  122.795  145.409  260.572   80.317  200.199   89.795 60.37309 120.4738 
1 1 1   -8   22   22 o  201.437   60.013  117.470   71.149  103.463   79.926  170.945  156.167  191.037   74.423  211.837   94.168 -20.79953 120.0264 
1 1 1   -8   22   23 o  157.726   52.712   11.043   62.129  -3.8201   67.533   92.922  158.509  128.937   59.139  186.516   87.275 -57.57970 105.4246 
1 1 1   -8   23    1 o  234.692   64.851  127.995   81.553  100.430   99.210  185.434  143.213  211.373   82.758  258.011   99.869 -46.63754 129.7022 
1 1 1   -8   23    2 o  176.367   54.707   25.060   72.728   48.951   94.207 -10.1834  114.421  182.465   77.059  170.269   77.675 12.19536 109.4139 
1 1 1   -8   23    3 o  138.620   46.196 -63.8122   65.590 -19.8153   81.398 -145.2711  110.757  143.966   65.613  133.273   65.047 10.69357 92.39120 
1 1 1   -8   23    4 o  437.215  101.287  647.656  183.243  1166.72  354.121  457.845  214.142  516.753  159.567  357.676  124.798 159.0768 202.5743 
1 1 1   -8   23    5 o  218.821   57.702   85.970   72.018  210.118  111.901  -1.8116   94.095  277.608   90.211  160.034   71.971 117.5743 115.4032 
1 1 1   -8   23    6 o  262.269   64.020  175.044   91.556   40.344  130.961  303.818  128.048  194.400   86.334  330.139   94.555 -135.7391 128.0401 
1 1 1   -8   23    7 o  159.670   50.515   7.2569   61.116 -10.5720  111.085   14.996   73.189  167.166   76.366  152.173   66.145 14.99275 101.0291 
1 1 1   -8   23    8 o  231.252   63.574  133.825   81.464  166.869  126.222  110.234  106.651  246.574   94.189  215.930   85.410 30.64383 127.1471 
1 1 1   -8   23    9 o  322.310   84.579  385.118  143.529  365.009  244.281  395.721  177.375  300.339  125.283  344.281  113.660 -43.94189 169.1576 
1 1 1   -8   23   10 o  222.854   68.726  113.475  106.793   36.222  235.982  133.370  119.757  218.889  103.668  226.819   90.256 -7.930573 137.4520 
1 1 1   -8   23   11 o  250.386   76.981  182.559  122.759  266.415  283.245  163.165  136.217  261.890  120.488  238.882   95.850 23.00859 153.9628 
1 1 1   -8   23   12 o  284.417  133.136  499.751  369.479  499.751  369.479   0.0000   0.0000  284.417  133.136  ?   ?       ?      ? 
1 1 1   -8   23   13 o  236.620  114.867  186.624  332.771  186.624  332.771   0.0000   0.0000  236.620  114.867  ?   ?       ?      ? 
1 1 1   -8   23   14 o  264.639  127.058  519.933  380.558  519.933  380.558   0.0000   0.0000  264.639  127.058  ?   ?       ?      ? 
1 1 1   -8   23   15 o  178.227   56.970   42.422   82.224   14.498  104.867   86.986  132.478  161.959   74.068  194.495   86.580 -32.53610 113.9397 
1 1 1   -8   23   16 o  163.343   53.436   12.501   80.277   38.791   99.511 -36.4938  135.847  166.780   74.581  159.907   76.545 6.872833 106.8715 
1 1 1   -8   23   17 o  180.303   53.932   69.040   73.060  128.790   89.504 -50.2688  126.475  208.779   79.419  151.827   72.987 56.95250 107.8634 
1 1 1   -8   23   18 o  217.991   78.858  142.409   86.198  142.409   86.198   0.0000   0.0000  217.991   78.858  ?   ?       ?      ? 
1 1 1   -8   23   19 o  198.857   61.164   92.409   73.891   59.674   83.033  216.999  161.987  168.193   71.739  229.521   99.083 -61.32820 122.3275 
1 1 1   -8   23   20 o  212.778   65.149  136.974   84.788  104.004   95.061  265.262  187.515  190.959   78.776  234.597  103.788 -43.63794 130.2979 
1 1 1   -8   23   21 o  152.427   52.739 -59.9383   95.485 -76.1294  114.820 -23.6354  171.929  137.570   66.942  167.285   81.514 -29.71469 105.4787 
1 1 1   -8   24    1 o  171.920   55.397   7.5915   76.497   37.769   85.858 -108.6151  168.482  170.910   72.925  172.931   83.410 -2.020752 110.7940 
1 1 1   -8   24    2 o  200.546   61.707   66.491   89.911   92.626  109.018   10.905  158.991  206.583   84.689  194.508   89.770 12.07535 123.4134 
1 1 1   -8   24    3 o  279.002   71.480  245.701  109.061  309.592  137.533  137.463  179.010  323.056   99.390  234.947  102.757 88.10870 142.9598 
1 1 1   -8   24    4 o  266.730   73.919  220.477  110.053  215.355  136.500  229.990  186.036  268.096   98.888  265.363  109.897 2.732391 147.8384 
1 1 1   -8   24    5 o  232.945   67.202  144.892   96.059  147.946  125.660  140.599  148.997  234.134   92.678  231.757   97.341 2.377258 134.4040 
1 1 1   -8   24    6 o  172.498   54.583   13.872   76.236   52.196  109.347 -22.3744  106.344  186.657   80.992  158.339   73.196 28.31853 109.1665 
1 1 1   -8   24    7 o  188.765   81.457   59.404  109.391   59.404  109.391   0.0000   0.0000  188.765   81.457  ?   ?       ?      ? 
1 1 1   -8   24    8 o  195.422   83.821   74.384  114.506   74.384  114.506   0.0000   0.0000  195.422   83.821  ?   ?       ?      ? 
1 1 1   -8   24    9 o  193.098   84.398   68.375  120.578   68.375  120.578   0.0000   0.0000  193.098   84.398  ?   ?       ?      ? 
1 1 1   -8   24   10 o  205.673   99.217   23.032  238.581   23.032  238.581   0.0000   0.0000  205.673   99.217  ?   ?       ?      ? 
1 1 1   -8   24   11 o  219.360   70.625  135.918  119.691  148.644  284.091  133.172  131.976  223.713  108.007  215.008   91.027 8.705170 141.2493 
1 1 1   -8   24   12 o  250.990   76.941  288.951  150.565  167.597  317.772  324.081  170.975  221.895  108.699  280.085  108.923 -58.18993 153.8822 
1 1 1   -8   24   13 o  306.232   92.322  609.055  191.789  817.910  367.255  530.739  224.891  295.503  136.400  316.960  124.452 -21.45670 184.6438 
1 1 1   -8   24   14 o  227.021   71.805  212.500  133.279  119.465  333.757  230.150  145.373  209.880  104.365  244.162   98.649 -34.28281 143.6093 
1 1 1   -8   24   15 o  246.458   67.612  228.348   97.767  287.724  132.662  157.766  144.640  278.972   98.175  213.943   92.991 65.02820 135.2238 
1 1 1   -8   24   16 o  226.497   68.036  140.049  102.824   22.420  125.719  377.722  178.704  168.559   78.490  284.435  111.151 -115.8764 136.0710 
1 1 1   -8   24   17 o  209.824   65.761   29.413   97.105 -102.2284  112.482  414.545  192.395  133.185   65.121  286.463  114.269 -153.2781 131.5229 
1 1 1   -8   24   18 o  186.076   79.843   92.985  103.968   92.985  103.968   0.0000   0.0000  186.076   79.843  ?   ?       ?      ? 
1 1 1   -8   24   19 o  217.248   71.778  118.398  110.916   24.935  122.029  562.560  266.020  164.437   76.824  270.059  121.270 -105.6216 143.5558 
1 1 1   -8   25    1 o  178.332   77.482   48.348  100.343   48.348  100.343   0.0000   0.0000  178.332   77.482  ?   ?       ?      ? 
1 1 1   -8   25    2 f  356.409  109.694  434.560  167.509  434.560  167.509   0.0000   0.0000  356.409  109.694  ?   ?       ?      ? 
1 1 1   -8   25    3 o  228.622   94.066  153.145  135.105  153.145  135.105   0.0000   0.0000  228.622   94.066  ?   ?       ?      ? 
1 1 1   -8   25    4 f  265.877   77.117  242.345  121.103  171.871  147.564  387.729  211.945  234.440   97.548  297.314  119.468 -62.87399 154.2338 
1 1 1   -8   25    5 o  189.312   61.931   34.796  108.739   73.601  134.750 -37.6519  184.119  195.752   87.216  182.871   87.949 12.88091 123.8619 
1 1 1   -8   25    6 o  234.143   69.482  181.021  112.024  238.015  147.607  103.601  172.036  259.092  101.082  209.193   95.358 49.89891 138.9634 
1 1 1   -8   25    7 o  170.512   55.688   10.170   86.531   42.463  127.475 -17.4265  117.840  181.109   82.374  159.914   74.962 21.19498 111.3762 
1 1 1   -8   25    8 f  185.614   57.982   57.185   85.531 -14.5487  121.728  127.136  120.205  161.426   75.835  209.802   87.731 -48.37631 115.9644 
1 1 1   -8   25    9 o  202.104   62.132  102.771   93.994   33.184  131.700  175.014  134.189  176.895   81.663  227.313   93.663 -50.41756 124.2638 
1 1 1   -8   25   10 o  235.904   69.286  208.352  105.805  175.603  150.453  240.395  148.821  222.748   95.826  249.061  100.098 -26.31256 138.5722 
1 1 1   -8   25   11 o  229.192   72.289  221.151  132.963  182.624  267.199  233.831  153.290  216.023  104.403  242.361  100.014 -26.33807 144.5778 
1 1 1   -8   25   12 o  212.069  103.950  166.344  291.969  166.344  291.969   0.0000   0.0000  212.069  103.950  ?   ?       ?      ? 
1 1 1   -8   25   13 o  240.122   75.000  293.428  161.915   14.221  319.492  389.921  187.821  197.454   98.794  282.789  112.872 -85.33449 150.0006 
1 1 1   -8   25   14 o  203.384   67.877  126.063  137.365   52.293  302.792  145.180  154.140  198.924   98.997  207.845   92.892 -8.920563 135.7547 
1 1 1   -8   25   15 o  287.648  120.789  502.011  229.347   0.0000   0.0000  502.011  229.347  ?   ?   287.648  120.789      ?      ? 
1 1 1   -8   25   16 o  310.185   83.194  526.076  146.248  530.682  180.589  517.301  249.290  346.284  114.702  274.086  120.533 72.19818 166.3873 
1 1 1   -8   25   17 o  202.791   68.106 -23.6396  133.518 -274.4435  162.015  507.246  235.716  132.056   66.635  273.526  118.799 -141.4701 136.2113 
1 1 1   -8   26    1 o  178.832   58.125   34.207   77.522   10.566   87.766  118.112  165.346  151.535   68.701  206.130   93.777 -54.59572 116.2498 
1 1 1   -8   26    2 o  186.659   57.302   72.462   85.686  131.388   98.256 -114.6471  175.087  211.468   82.479  161.850   79.568 49.61812 114.6036 
1 1 1   -8   26    3 o  168.738   55.196   22.657   74.751   14.674   85.447   48.694  154.309  151.561   68.332  185.916   86.701 -34.35535 110.3921 
1 1 1   -8   26    4 o  181.084   55.258   66.172   77.944  118.828   90.860 -80.5480  151.669  204.267   79.413  157.901   76.858 46.36618 110.5151 
1 1 1   -8   26    5 o  180.242   57.597   58.335   81.298   56.276   96.281   63.449  151.747  172.549   75.416  187.934   87.074 -15.38496 115.1932 
1 1 1   -8   26    6 o  185.718   59.992   51.113   91.137  -1.5874  111.986  154.471  156.830  157.946   73.726  213.491   94.660 -55.54472 119.9836 
1 1 1   -8   26    7 o  181.018   59.167   50.281   97.787   28.000  132.625   76.822  144.752  173.023   80.585  189.012   86.653 -15.98871 118.3331 
1 1 1   -8   26    8 o  215.081   66.803  162.833  108.187  143.190  152.507  182.732  153.497  208.579   92.869  221.582   96.052 -13.00278 133.6065 
1 1 1   -8   26    9 o  195.138   62.445  101.009  101.744  116.083  149.353   87.955  138.982  199.785   90.184  190.490   86.398 9.294846 124.8904 
1 1 1   -8   26   10 o  207.321   65.627  139.324  112.639   69.346  170.984  192.977  149.716  189.649   89.338  224.992   96.157 -35.34370 131.2538 
1 1 1   -8   26   11 o  194.217   86.335  104.410  131.264   0.0000   0.0000  104.410  131.264  ?   ?   194.217   86.335      ?      ? 
1 1 1   -8   26   12 f  271.697  113.691  396.882  202.064   0.0000   0.0000  396.882  202.064  ?   ?   271.697  113.691      ?      ? 
1 1 1   -8   26   14 o  150.738   75.443 -186.4590  186.992 -186.4590  186.992   0.0000   0.0000  150.738   75.443  ?   ?       ?      ? 
1 1 1   -8   26   15 o  225.506   74.917  297.853  174.811  100.956  250.833  483.801  243.758  192.296   94.672  258.715  116.136 -66.41914 149.8345 
1 1 1   -8   27    1 o  213.896   61.766  152.250   92.135  209.590  109.901   16.638  169.014  249.126   89.175  178.667   85.487 70.45891 123.5318 
1 1 1   -8   27    2 o  187.349   58.627   85.958   85.684  113.430   99.462   6.8926  168.733  197.975   80.996  176.723   84.783 21.25233 117.2536 
1 1 1   -8   27    3 f  193.231   58.970   93.730   93.005  168.401  109.194 -103.6006  177.508  225.286   87.203  161.177   79.407 64.10854 117.9403 
1 1 1   -8   27    4 o  197.020   64.555  103.187  118.132  114.782  164.307   90.780  169.964  199.743   91.848  194.296   90.738 5.447479 129.1102 
1 1 1   -8   27    5 o  207.949   67.064  142.371  120.614  199.997  176.266   91.631  165.399  222.088   99.291  193.809   90.175 28.27901 134.1279 
1 1 1   -8   27    6 o  220.660   98.573  195.110  173.349   0.0000   0.0000  195.110  173.349  ?   ?   220.660   98.573      ?      ? 
1 1 1   -8   27    7 o  153.202   74.472 -68.1960  141.146   0.0000   0.0000 -68.1960  141.146  ?   ?   153.202   74.472      ?      ? 
1 1 1   -8   27    8 o  219.796   97.484  194.439  166.444   0.0000   0.0000  194.439  166.444  ?   ?   219.796   97.484      ?      ? 
1 1 1   -8   27    9 o  202.820   64.526  129.061  106.666  203.446  161.050   70.932  142.368  222.347   97.351  183.293   84.718 39.05382 129.0513 
1 1 1   -8   27   10 o  173.148   56.952   43.986   93.597   12.060  146.731   65.888  121.534  168.991   80.523  177.306   80.562 -8.314880 113.9040 
1 1 1   -8   27   11 o  192.506   61.545   97.529  103.711 -10.5161  148.776  199.662  144.648  163.716   78.818  221.295   94.545 -57.57922 123.0893 
1 1 1   -8   27   12 o  222.084   69.582  231.046  121.174  183.329  174.880  275.110  168.055  207.542   95.184  236.627  101.522 -29.08568 139.1643 
1 1 1   -8   28    1 f  181.870   59.881   61.468  105.828  -7.6218  167.224  107.624  136.680  170.792   82.555  192.948   86.761 -22.15559 119.7613 
1 1 1   -8   28    2 o  249.124   73.768  199.865  121.553  588.713  214.161   15.067  147.638  327.972  123.289  170.276   81.035 157.6959 147.5356 
1 1 1   -8   28    3 o  199.848   65.610  110.806  117.649  245.829  193.269   31.319  148.288  225.948  102.236  173.748   82.257 52.19939 131.2191 
1 1 1   -8   28    4 o  250.648   73.143  295.052  117.117  297.262  149.131  291.495  189.180  262.327  101.808  238.969  105.047 23.35803 146.2861 
1 1 1   -8   28    5 o  146.012   49.851 -65.3747   88.404   11.510  116.980 -167.7522  134.988  159.355   74.696  132.670   66.037 26.68434 99.70107 
1 1 1   -8   28    6 o  184.523   59.928   61.815   98.191 -30.4437  128.389  191.817  152.405  152.868   73.500  216.178   94.675 -63.31021 119.8564 
1 1 1   -8   28    7 o  247.392   69.861  265.948  119.260  435.925  163.207   71.197  174.697  311.450  108.934  183.334   87.496 128.1165 139.7223 
1 1 1   -7    0    1 o  1356.33   31.656  3627.48  236.371  3627.48  236.371  3627.48  236.371  1356.33   44.768  1356.33   44.768 0.000000 0.000000 
1 1 1   -7    0    2 o  561.981   26.944  627.964   82.684  627.964   82.684  627.964   82.684  561.981   38.104  561.981   38.104 -0.000000 0.000000 
1 1 1   -7    0    3 o  703.053   20.706  972.625   80.024  972.625   80.024  972.625   80.024  703.053   29.283  703.053   29.283 0.000000 0.000000 
1 1 1   -7    0    4 o  495.747   18.086  484.612   49.181  484.612   49.181  484.612   49.181  495.747   25.577  495.747   25.577 -0.000000 0.000000 
1 1 1   -7    0    5 o  941.845   24.419  1746.75  126.539  1746.75  126.539  1746.75  126.539  941.845   34.533  941.845   34.533 0.000000 0.000000 
1 1 1   -7    0    6 o  926.258   24.165  1690.09  123.146  1690.09  123.146  1690.09  123.146  926.258   34.174  926.258   34.174 0.000000 0.000000 
1 1 1   -7    0    7 o  389.545   24.719  305.045   52.159  305.045   52.159  305.045   52.159  389.545   34.959  389.545   34.959 -0.000000 0.000000 
1 1 1   -7    0    8 o  865.483   33.267  1494.39  157.825  1494.39  157.825  1494.39  157.825  865.483   47.046  865.483   47.046 0.000000 0.000000 
1 1 1   -7    0    9 o  531.512   18.607  558.086   54.274  558.086   54.274  558.086   54.274  531.512   26.314  531.512   26.314 0.000000 0.000000 
1 1 1   -7    0   10 o  397.942   17.328  314.065   37.726  314.065   37.726  314.065   37.726  397.942   24.506  397.942   24.506 0.000000 0.000000 
1 1 1   -7    0   11 o  291.847   16.789  170.304   26.629  170.304   26.629  170.304   26.629  291.847   23.743  291.847   23.743 0.000000 0.000000 
1 1 1   -7    0   12 o  1244.02   29.885  3076.91  204.637  3076.91  204.637  3076.91  204.637  1244.02   42.263  1244.02   42.263 0.000000 0.000000 
1 1 1   -7    0   13 f  555.131   18.903  608.663   57.607  608.663   57.607  608.663   57.607  555.131   26.733  555.131   26.733 0.000000 0.000000 
1 1 1   -7    0   14 o  292.751   16.871  171.137   26.840  171.137   26.840  171.137   26.840  292.751   23.859  292.751   23.859 -0.000000 0.000000 
1 1 1   -7    0   15 o  149.354   31.899   54.306   22.932   54.306   22.932   54.306   22.932  149.354   45.111  149.354   45.111 -0.000000 0.000000 
1 1 1   -7    0   16 o  723.741   21.148  1032.11   84.142  1032.11   84.142  1032.11   84.142  723.741   29.908  723.741   29.908 -0.000000 0.000000 
1 1 1   -7    0   17 o  861.858   23.249  1463.52  110.216  1463.52  110.216  1463.52  110.216  861.858   32.879  861.858   32.879 0.000000 0.000000 
1 1 1   -7    0   18 o  267.183   17.289  143.158   25.002  143.158   25.002  143.158   25.002  267.183   24.450  267.183   24.450 -0.000000 0.000000 
1 1 1   -7    0   19 o  344.259   17.642  235.597   33.114  235.597   33.114  235.597   33.114  344.259   24.950  344.259   24.950 0.000000 0.000000 
1 1 1   -7    0   20 o  800.593   31.831  1276.34  139.621  1276.34  139.621  1276.34  139.621  800.593   45.015  800.593   45.015 -0.000000 0.000000 
1 1 1   -7    0   21 o  837.218   23.040  1382.42  106.088  1382.42  106.088  1382.42  106.088  837.218   32.583  837.218   32.583 -0.000000 0.000000 
1 1 1   -7    0   22 f  281.638   18.239  159.249   27.802  159.249   27.802  159.249   27.802  281.638   25.794  281.638   25.794 0.000000 0.000000 
1 1 1   -7    0   23 o  480.585   18.624  456.751   49.056  456.751   49.056  456.751   49.056  480.585   26.338  480.585   26.338 -0.000000 0.000000 
1 1 1   -7    0   24 o  597.598   19.904  705.513   65.312  705.513   65.312  705.513   65.312  597.598   28.148  597.598   28.148 -0.000000 0.000000 
1 1 1   -7    0   25 o  714.340   21.525  1009.21   84.506  1009.21   84.506  1009.21   84.506  714.340   30.440  714.340   30.440 0.000000 0.000000 
1 1 1   -7    0   26 o  399.071   18.729  317.165   40.832  317.165   40.832  317.165   40.832  399.071   26.487  399.071   26.487 0.000000 0.000000 
1 1 1   -7    0   27 o  398.192   29.229  326.043   62.648  326.043   62.648  326.043   62.648  398.192   41.337  398.192   41.337 0.000000 0.000000 
1 1 1   -7    0   28 f  131.420   30.236   43.673   19.406   43.673   19.406   43.673   19.406  131.420   42.760  131.420   42.760 0.000000 0.000000 
1 1 1   -7    0   29 o  371.798   19.942  278.319   40.378  278.319   40.378  278.319   40.378  371.798   28.203  371.798   28.203 -0.000000 0.000000 
1 1 1   -7    0   30 o  704.700   21.937  993.577   84.941  993.577   84.941  993.577   84.941  704.700   31.024  704.700   31.024 0.000000 0.000000 
1 1 1   -7    0   31 f  131.335   36.067   47.805   24.892   47.805   24.892   47.805   24.892  131.335   51.006  131.335   51.006 -0.000000 0.000000 
1 1 1   -7    0   32 o  170.586   29.323   67.820   23.922   67.820   23.922   67.820   23.922  170.586   41.469  170.586   41.469 -0.000000 0.000000 
1 1 1   -7    0   33 o   34.812   17.333 -14.5121   13.083 -14.5121   13.083 -14.5121   13.083   34.812   24.512   34.812   24.512 -0.000000 0.000000 
1 1 1   -7    0   34 f  144.150   34.233   54.826   24.320   54.826   24.320   54.826   24.320  144.150   48.412  144.150   48.412 0.000000 0.000000 
1 1 1   -7    0   35 o   85.355   32.178   22.270   20.596   22.270   20.596   22.270   20.596   85.355   45.507   85.355   45.507 -0.000000 0.000000 
1 1 1   -7    0   36 o  471.573   22.037  455.288   56.778  455.288   56.778  455.288   56.778  471.573   31.165  471.573   31.165 0.000000 0.000000 
1 1 1   -7    1    1 o  409.927   16.933  328.958   27.069  346.283   38.895  312.685   37.696  420.401   23.708  399.453   24.182 20.94846 33.86544 
1 1 1   -7    1    2 o  2548.60   84.276 14023.66  837.886 14205.85  1203.45 13852.27  1167.28  2562.22  120.360  2534.98  117.996 27.23804 168.5513 
1 1 1   -7    1    3 o  1280.88   30.321  3246.85  151.543  3274.37  216.139  3220.23  212.534  1286.14   43.064  1275.62   42.695 10.52246 60.64104 
1 1 1   -7    1    4 o  1091.93   26.933  2353.64  114.749  2379.22  163.818  2328.99  160.785  1097.70   38.243  1086.15   37.933 11.54639 53.86504 
1 1 1   -7    1    5 o  598.682   19.200  703.886   44.858  705.905   63.532  701.880   63.345  599.537   27.155  597.826   27.152 1.711060 38.40077 
1 1 1   -7    1    6 o  654.317   19.971  841.485   50.986  857.528   72.939  826.157   71.298  660.403   28.302  648.231   28.185 12.17200 39.94239 
1 1 1   -7    1    7 o  368.786   23.772  268.445   34.175  251.641   47.711  286.152   48.976  356.855   34.261  380.717   32.964 -23.86188 47.54407 
1 1 1   -7    1    8 o  389.581   17.002  298.157   25.838  310.211   36.986  286.667   36.112  397.290   23.856  381.872   24.232 15.41791 34.00477 
1 1 1   -7    1    9 o  828.907   22.713  1360.83   73.445  1392.44  105.575  1331.19  102.238  838.165   32.277  819.649   31.963 18.51587 45.42571 
1 1 1   -7    1   10 o  669.044   20.307  885.935   53.018  888.019   75.061  883.860   74.898  669.830   28.715  668.258   28.721 1.572205 40.61358 
1 1 1   -7    1   11 o  221.351   16.302   96.532   14.082   95.625   19.867   97.448   19.962  220.301   23.109  222.401   23.001 -2.100082 32.60436 
1 1 1   -7    1   12 o  1106.19   27.631  2450.02  119.250  2419.36  166.493  2482.32  170.883  1099.28   38.811  1113.10   39.340 -13.82446 55.26231 
1 1 1   -7    1   13 o  611.929   19.538  738.734   46.650  752.293   66.621  725.690   65.343  617.432   27.650  606.426   27.612 11.00568 39.07558 
1 1 1   -7    1   14 o  226.935   16.481  101.187   14.594   99.413   20.559  102.990   20.722  224.922   23.422  228.948   23.193 -4.025543 32.96246 
1 1 1   -7    1   15 o  284.675   23.712  159.971   26.318  150.925   36.527  169.739   37.953  276.279   33.879  293.072   33.185 -16.79297 47.42424 
1 1 1   -7    1   16 o  405.909   17.306  323.518   27.412  319.799   38.621  327.295   38.915  403.553   24.524  408.266   24.426 -4.713043 34.61240 
1 1 1   -7    1   17 o  887.302   23.657  1552.52   81.885  1591.33  117.771  1516.20  113.929  897.984   33.608  876.619   33.304 21.36560 47.31398 
1 1 1   -7    1   18 o  644.914   20.023  817.768   50.384  834.345   72.044  801.899   70.489  651.304   28.346  638.525   28.289 12.77905 40.04646 
1 1 1   -7    1   19 o  407.365   17.638  325.882   28.030  336.620   39.814  315.330   39.470  414.050   24.640  400.680   25.243 13.36969 35.27528 
1 1 1   -7    1   20 o  489.718   25.629  474.798   48.978  475.776   69.513  473.834   69.021  490.201   36.338  489.235   36.152 0.9653931 51.25824 
1 1 1   -7    1   21 o  186.353   29.562   82.536   19.176   95.287   22.016   42.457   39.034  220.128   25.629  152.578   53.280 67.55017 59.12330 
1 1 1   -7    1   22 o  286.745   17.508  161.797   19.552  174.525   27.773  149.291   27.529  298.010   23.881  275.479   25.608 22.53110 35.01546 
1 1 1   -7    1   23 o  779.116   22.171  1199.87   67.407  1211.91   95.762  1188.05   94.900  782.993   31.340  775.240   31.369 7.753174 44.34213 
1 1 1   -7    1   24 o  888.933   33.873  1568.31  117.505   0.0000   0.0000  1568.31  117.505  ?   ?   888.933   33.873      ?      ? 
1 1 1   -7    1   25 o  461.261   18.822  420.447   33.877  426.099   47.805  414.746   48.013  464.427   26.377  458.095   26.858 6.332703 37.64438 
1 1 1   -7    1   26 o  580.340   24.825  669.194   52.560  691.471   93.017  658.744   63.706  584.706   40.765  575.974   28.343 8.732239 49.65018 
1 1 1   -7    1   27 o  548.575   25.029  590.255   48.833  566.950   57.696  649.116   91.694  533.509   27.712  563.641   41.687 -30.13147 50.05822 
1 1 1   -7    1   28 o  320.983   19.201  206.045   24.036  212.471   33.801  199.472   34.186  326.216   26.552  315.750   27.744 10.46628 38.40217 
1 1 1   -7    1   29 o  522.866   19.914  549.114   40.609  536.979   56.274  562.301   58.662  516.990   27.893  528.743   28.430 -11.75317 39.82810 
1 1 1   -7    1   30 o  315.320   19.386  199.743   23.830  187.583   33.115  212.803   34.318  305.246   27.800  325.394   27.026 -20.14804 38.77141 
1 1 1   -7    1   32 o  219.880   22.903   99.677   19.582  109.522   27.806   89.991   27.580  231.212   30.818  208.548   33.889 22.66370 45.80637 
1 1 1   -7    1   33 o  227.516   23.672  108.116   21.009  104.939   29.721  111.288   29.702  223.935   34.010  231.096   32.936 -7.161392 47.34378 
1 1 1   -7    1   34 o  280.815   22.891  164.941   25.083  162.409   35.491  167.468   35.454  278.496   32.656  283.134   32.088 -4.637665 45.78244 
1 1 1   -7    1   35 o   93.151   25.785   13.173   13.642   9.8423   20.603   15.773   18.203   90.963   36.999   95.339   35.924 -4.376060 51.56960 
1 1 1   -7    1   36 o  252.457   24.191  135.662   23.785  128.699   33.994  142.341   33.291  245.299   35.512  259.616   32.860 -14.31673 48.38214 
1 1 1   -7    2    1 o  425.866   21.095  356.956   33.001  358.311   40.411  354.242   57.181  427.572   24.219  424.160   34.546 3.411499 42.18951 
1 1 1   -7    2    2 o  475.356   24.884  430.261   45.364  348.158   58.506  554.041   71.836  420.331   35.668  530.381   34.708 -110.0500 49.76758 
1 1 1   -7    2    3 o  472.065   17.650  436.920   32.511  445.246   46.322  428.837   45.641  476.501   24.911  467.629   25.010 8.872192 35.29974 
1 1 1   -7    2    4 o  896.075   23.616  1579.50   82.511  1630.31  119.740  1533.57  113.860  909.694   33.730  882.457   33.063 27.23712 47.23195 
1 1 1   -7    2    5 o  1462.70   33.947  4242.95  193.016  4480.85  288.627  4050.48  259.607  1498.76   49.348  1426.64   46.630 72.12219 67.89437 
1 1 1   -7    2    6 o  969.764   24.940  1848.02   94.056  1973.48  140.353  1745.74  126.719  999.236   35.993  940.293   34.534 58.94305 49.88099 
1 1 1   -7    2    7 o  676.404   28.922  909.618   76.339  899.794  107.499  919.612  108.427  672.705   40.949  680.103   40.854 -7.397522 57.84345 
1 1 1   -7    2    8 o  380.064   16.917  283.814   25.079  296.356   35.933  271.901   35.019  388.271   23.715  371.857   24.132 16.41379 33.83429 
1 1 1   -7    2    9 o  458.870   17.699  414.921   31.692  419.108   44.944  410.780   44.696  461.183   24.973  456.558   25.087 4.625244 35.39742 
1 1 1   -7    2   10 o  710.667   20.931  999.948   58.019  1028.71   83.662  973.296   80.529  720.447   29.757  700.888   29.442 19.55963 41.86115 
1 1 1   -7    2   11 o  891.333   23.805  1582.16   82.796  1594.54  117.923  1570.12  116.276  894.714   33.774  887.952   33.556 6.762634 47.60978 
1 1 1   -7    2   12 o  796.479   22.240  1258.38   69.127  1263.15   97.921  1253.64   97.600  797.988   31.445  794.971   31.461 3.017212 44.48076 
1 1 1   -7    2   13 o  455.815   17.678  408.996   31.443  402.080   44.161  416.107   44.781  451.901   25.041  459.729   24.961 -7.828461 35.35694 
1 1 1   -7    2   14 o  442.227   21.593  389.449   35.273  375.407   59.948  396.885   43.624  435.208   35.298  449.245   24.884 -14.03696 43.18697 
1 1 1   -7    2   15 o  827.032   32.352  1362.40  104.230  1437.32  153.053  1297.61  142.338  847.959   46.253  806.106   45.248 41.85284 64.70438 
1 1 1   -7    2   16 o  457.976   17.841  411.732   31.875  400.379   44.422  423.781   45.764  451.474   25.214  464.477   25.248 -13.00262 35.68200 
1 1 1   -7    2   17 o  536.294   18.692  565.127   39.118  568.381   55.352  561.881   55.290  537.844   26.372  534.742   26.495 3.102112 37.38311 
1 1 1   -7    2   18 o  1049.71   26.331  2179.94  107.861  2183.38  152.678  2176.52  152.398  1050.54   37.242  1048.89   37.232 1.648438 52.66121 
1 1 1   -7    2   19 o  169.006   21.498   54.480   13.604   42.791   17.260   73.652   22.104  144.593   31.481  193.419   29.285 -48.82578 42.99588 
1 1 1   -7    2   20 o  447.290   22.101  397.536   36.802  384.817   61.605  404.594   45.890  440.927   35.803  453.653   25.921 -12.72589 44.20137 
1 1 1   -7    2   21 o  322.022   25.386  210.507   27.663  216.007   32.218  195.076   53.965  331.494   24.905  312.550   44.244 18.94379 50.77219 
1 1 1   -7    2   22 f  390.454   17.959  299.479   27.345  287.022   37.882  313.033   39.514  381.986   25.413  398.923   25.382 -16.93695 35.91730 
1 1 1   -7    2   23 o  1117.95   27.788  2488.78  121.215  2521.45  173.194  2457.41  169.706  1125.05   39.448  1110.85   39.148 14.20728 55.57645 
1 1 1   -7    2   24 o  789.860   31.849  1236.06   98.171   0.0000   0.0000  1236.06   98.171  ?   ?   789.860   31.849      ?      ? 
1 1 1   -7    2   25 f  229.539   22.672  109.903   18.969  126.767   25.021   87.113   29.087  253.415   25.301  205.663   37.629 47.75206 45.34394 
1 1 1   -7    2   26 o  119.044   27.860   22.423   13.404   41.080   27.530   16.627   15.345  142.130   44.591   95.958   33.412 46.17158 55.71975 
1 1 1   -7    2   27 o  588.195   25.893  667.863   53.075  630.740   61.672  773.877  104.219  562.457   28.097  613.933   43.501 -51.47552 51.78569 
1 1 1   -7    2   28 o  441.309   19.390  389.763   33.370  396.182   46.608  383.011   47.799  445.273   26.823  437.345   28.007 7.928070 38.77952 
1 1 1   -7    2   29 o  222.067   21.977   99.893   19.022  102.529   26.506   97.094   27.316  225.327   30.144  218.808   31.991 6.518661 43.95494 
1 1 1   -7    2   30 o  408.397   19.724  335.023   31.370  322.898   42.738  349.186   46.190  400.660   27.334  416.134   28.444 -15.47452 39.44893 
1 1 1   -7    2   31 o  302.133   25.621  188.683   30.121  189.718   44.315  187.795   41.066  302.262   37.570  302.004   34.845 0.2587585 51.24118 
1 1 1   -7    2   32 o  534.395   21.069  583.377   43.876  579.008   60.387  588.262   63.857  532.883   29.039  535.907   30.534 -3.023926 42.13798 
1 1 1   -7    2   33 o  635.112   22.326  836.357   55.269  829.823   76.236  843.595   80.241  633.359   30.845  636.866   32.286 -3.506958 44.65185 
1 1 1   -7    2   34 o  516.713   21.813  555.333   43.901  595.951   62.379  515.472   61.795  536.510   29.794  496.915   31.867 39.59491 43.62532 
1 1 1   -7    2   35 o  340.033   22.798  240.618   30.044  205.021   40.890  282.383   44.291  311.878   33.597  368.189   30.826 -56.31128 45.59584 
1 1 1   -7    2   36 o  210.669   27.417   99.262   21.729   80.926   31.549  115.811   29.971  187.188   43.942  234.149   32.800 -46.96124 54.83398 
1 1 1   -7    3    1 o  210.477   22.640   87.270   18.548   88.936   25.481   85.392   27.050  212.687   30.701  208.268   33.282 4.419434 45.27937 
1 1 1   -7    3    2 o  694.417   25.210  971.729   65.560  1035.59   83.526  869.245  105.807  725.931   29.484  662.903   40.901 63.02783 50.42028 
1 1 1   -7    3    3 o  600.359   19.334  705.199   45.214  760.302   66.240  657.129   61.869  622.246   27.279  578.471   27.407 43.77509 38.66884 
1 1 1   -7    3    4 o  260.212   15.564  132.683   15.803  130.476   22.232  134.938   22.467  258.021   22.079  262.403   21.941 -4.382477 31.12704 
1 1 1   -7    3    5 o  935.656   24.517  1722.56   89.345  1817.63  131.462  1640.96  121.798  959.431   35.112  911.882   34.227 47.54962 49.03395 
1 1 1   -7    3    6 o  570.724   23.176  612.849   47.337  719.008   89.340  571.412   55.816  602.343   38.008  539.106   26.531 63.23737 46.35168 
1 1 1   -7    3    7 o  1027.03   37.213  2124.05  148.925  2048.70  203.979  2210.06  217.938  1008.06   51.852  1045.99   53.392 -37.93280 74.42645 
1 1 1   -7    3    8 o  735.278   21.262  1068.29   60.990  1090.34   87.592  1047.53   84.974  742.590   30.226  727.966   29.912 14.62360 42.52460 
1 1 1   -7    3    9 o  458.727   17.737  414.926   31.750  416.289   44.833  413.554   44.971  459.498   25.003  457.955   25.164 1.542633 35.47319 
1 1 1   -7    3   10 o  720.849   21.147  1030.39   59.487  1039.63   84.339  1021.24   83.916  724.088   29.847  717.611   29.966 6.477356 42.29429 
1 1 1   -7    3   11 o  284.962   16.383  159.955   18.217  157.528   25.616  162.438   25.913  282.770   23.214  287.154   23.124 -4.384033 32.76637 
1 1 1   -7    3   12 o  240.635   16.656  114.089   15.611  122.861   22.170  105.464   21.985  249.889   22.735  231.381   24.348 18.50793 33.31202 
1 1 1   -7    3   13 o  863.294   23.294  1475.94   78.474  1465.17  110.536  1486.87  111.426  860.125   32.931  866.463   32.954 -6.338440 46.58794 
1 1 1   -7    3   14 o  239.023   23.704  111.786   21.987  100.849   29.303  125.876   33.260  225.817   33.252  252.230   33.791 -26.41292 47.40799 
1 1 1   -7    3   15 o  557.110   18.895  610.394   41.076  606.098   57.783  614.783   58.404  555.137   26.673  559.084   26.769 -3.947327 37.78910 
1 1 1   -7    3   16 o  511.720   18.423  514.220   36.778  501.574   51.242  527.656   52.819  505.245   25.989  518.196   26.119 -12.95151 36.84628 
1 1 1   -7    3   17 o  492.962   18.287  476.819   35.160  461.799   48.735  493.124   50.775  484.888   25.755  501.036   25.969 -16.14850 36.57449 
1 1 1   -7    3   18 o  536.745   18.828  566.186   39.434  572.505   55.697  559.834   55.839  539.775   26.442  533.716   26.810 6.058777 37.65547 
1 1 1   -7    3   19 o  685.770   29.212  931.622   78.040  979.030  114.557  890.571  106.602  701.850   41.826  669.691   40.790 32.15863 58.42300 
1 1 1   -7    3   20 o  737.420   21.546  1071.88   61.984  1056.97   86.418  1087.69   88.956  732.196   30.244  742.644   30.695 -10.44836 43.09140 
1 1 1   -7    3   21 o  549.462   25.444  598.813   49.288  599.521   58.388  597.060   91.938  551.859   27.112  547.065   43.065 4.794250 50.88866 
1 1 1   -7    3   22 o  548.006   23.606  583.681   47.621  626.161   83.651  563.313   57.924  561.315   38.188  534.698   27.760 26.61633 47.21186 
1 1 1   -7    3   23 o  391.039   18.234  300.871   27.792  297.059   38.270  305.126   40.425  388.494   25.243  393.585   26.320 -5.091614 36.46840 
1 1 1   -7    3   24 o  363.291   26.800  260.405   37.994   0.0000   0.0000  260.405   37.994  ?   ?   363.291   26.800      ?      ? 
1 1 1   -7    3   25 o  323.417   21.306  211.354   25.954  224.032   33.281  191.674   41.463  336.820   25.320  310.013   34.273 26.80688 42.61130 
1 1 1   -7    3   26 o  151.734   36.837   42.241   23.997   38.930   27.937   51.556   46.866  139.314   45.058  164.153   58.289 -24.83911 73.67365 
1 1 1   -7    3   27 o  271.404   19.106  146.922   20.202  151.543   28.072  141.958   29.095  276.030   26.061  266.779   27.947 9.250702 38.21238 
1 1 1   -7    3   28 o  457.382   19.566  419.026   34.883  421.413   48.284  416.419   50.452  459.045   26.954  455.719   28.369 3.325714 39.13224 
1 1 1   -7    3   29 o  157.662   24.943   53.188   15.075   40.835   21.512   65.106   21.131  138.508   38.442  176.816   31.794 -38.30737 49.88585 
1 1 1   -7    3   30 o  309.810   20.723  195.188   24.866  207.788   33.943  180.595   36.529  321.459   27.058  298.160   31.395 23.29861 41.44617 
1 1 1   -7    3   32 o  384.969   21.123  304.459   31.428  353.899   44.730  256.253   44.168  417.351   27.464  352.587   32.100 64.76416 42.24586 
1 1 1   -7    3   33 o  109.447   27.005   24.216   14.114   18.187   23.611   27.568   17.606  104.994   40.576  113.901   35.646 -8.907364 54.00978 
1 1 1   -7    3   34 o  618.181   22.604  798.505   54.487  804.792   75.818  791.790   78.358  621.595   31.256  614.768   32.662 6.826599 45.20747 
1 1 1   -7    3   35 o  369.877   22.333  285.613   32.215  273.218   44.669  299.047   46.503  361.461   31.668  378.294   31.501 -16.83289 44.66698 
1 1 1   -7    3   36 o  177.799   28.441   70.727   19.093   77.619   29.487   65.751   25.053  184.344   41.935  171.254   38.432 13.08932 56.88215 
1 1 1   -7    4    1 o  122.460   21.164   30.640   10.215   39.767   14.555   21.782   14.339  139.886   27.643  105.033   32.054 34.85237 42.32714 
1 1 1   -7    4    2 f  931.539   33.925  1717.09  122.528  1823.57  186.144  1635.68  162.762  956.086   49.891  906.991   45.985 49.09534 67.85088 
1 1 1   -7    4    3 o  693.927   24.138  965.934   63.669  1034.00   83.075  869.047   99.117  725.032   29.362  662.821   38.320 62.21100 48.27536 
1 1 1   -7    4    4 o  319.936   19.383  212.142   22.847  249.474   29.699  158.018   35.760  356.765   21.332  283.108   32.368 73.65656 38.76512 
1 1 1   -7    4    5 o  766.204   26.736  1150.09   74.567  1200.10  133.007  1127.16   90.049  776.171   43.912  756.237   30.513 19.93372 53.47280 
1 1 1   -7    4    6 o  439.448   24.789  380.463   42.337  335.587   57.849  432.222   62.128  411.504   36.024  467.391   34.062 -55.88708 49.57780 
1 1 1   -7    4    7 o  320.667   16.366  201.643   20.420  224.547   29.621  180.901   28.188  338.047   22.454  303.287   23.816 34.75992 32.73211 
1 1 1   -7    4    8 o  127.443   17.895   33.119   8.5856   34.649   12.201   31.618   12.084  130.495   24.866  124.391   25.742 6.104034 35.79069 
1 1 1   -7    4    9 o  383.024   17.119  289.149   25.581  299.446   36.508  279.217   35.855  389.755   24.003  376.293   24.417 13.46155 34.23896 
1 1 1   -7    4   10 o  603.646   19.488  719.698   45.868  751.828   66.545  690.615   63.311  616.430   27.663  590.863   27.458 25.56665 38.97640 
1 1 1   -7    4   11 o  327.103   16.751  210.734   21.371  220.355   30.481  201.431   29.973  334.489   23.352  319.717   24.023 14.77173 33.50249 
1 1 1   -7    4   12 o  205.751   16.775   83.421   13.433   90.675   19.035   76.224   18.959  214.747   22.714  196.755   24.692 17.99161 33.54974 
1 1 1   -7    4   13 o  450.641   21.765  408.517   36.405  376.113   60.452  426.956   45.602  435.429   35.577  465.852   25.084 -30.42310 43.53063 
1 1 1   -7    4   14 o  557.146   26.958  614.196   58.502  586.644   79.783  646.239   86.039  543.802   37.596  570.490   38.647 -26.68793 53.91673 
1 1 1   -7    4   15 o  477.578   18.107  447.526   33.721  429.834   46.614  466.948   48.840  467.700   25.540  487.456   25.675 -19.75571 36.21443 
1 1 1   -7    4   16 o  881.040   23.542  1531.44   80.933  1517.43  113.455  1545.95  115.486  876.982   33.151  885.099   33.435 -8.117188 47.08437 
1 1 1   -7    4   17 o  275.928   17.126  149.708   18.404  158.551   25.816  140.571   26.243  284.291   23.270  267.566   25.133 16.72424 34.25198 
1 1 1   -7    4   18 o  251.515   17.288  125.257   16.611  157.717   23.838   94.620   23.159  283.636   21.537  219.394   27.050 64.24240 34.57677 
1 1 1   -7    4   19 o  595.042   38.512  702.002   89.428   0.0000   0.0000  702.002   89.428  ?   ?   595.042   38.512      ?      ? 
1 1 1   -7    4   20 o  764.850   22.078  1154.42   65.893  1160.41   92.773  1148.31   93.607  766.915   30.999  762.786   31.447 4.129395 44.15671 
1 1 1   -7    4   21 o  701.873   21.461  968.370   58.587  929.235   79.110  1015.90   87.187  686.437   29.532  717.309   31.147 -30.87164 42.92189 
1 1 1   -7    4   22 o  1018.18   37.228  2058.89  147.920   0.0000   0.0000  2058.89  147.920  ?   ?   1018.18   37.228      ?      ? 
1 1 1   -7    4   23 o  800.245   22.693  1266.94   70.824  1249.08   98.202  1286.30  102.241  794.518   31.673  805.971   32.507 -11.45209 45.38558 
1 1 1   -7    4   24 o  161.416   23.853   53.697   14.549   47.083   20.465   60.455   20.689  150.874   35.373  171.957   32.008 -21.08293 47.70539 
1 1 1   -7    4   25 o  498.769   22.808  504.384   42.699  532.647   54.435  459.180   68.843  518.794   26.887  478.743   36.849 40.05081 45.61570 
1 1 1   -7    4   26 o  226.437   36.474   83.707   27.108   62.109   30.238  172.138   61.186  171.179   44.760  281.694   57.603 -110.5154 72.94865 
1 1 1   -7    4   27 o  297.522   19.629  175.862   22.704  167.891   30.558  185.683   33.920  290.215   26.982  304.829   28.515 -14.61343 39.25720 
1 1 1   -7    4   28 o  529.537   20.291  561.406   41.794  543.499   56.513  583.023   62.091  520.699   27.812  538.375   29.554 -17.67566 40.58223 
1 1 1   -7    4   29 o  180.064   24.684   67.677   16.903   51.543   23.463   85.088   24.373  155.040   38.856  205.089   30.453 -50.04901 49.36780 
1 1 1   -7    4   30 o  571.306   28.697  659.065   63.980  659.065   63.980   0.0000   0.0000  571.306   28.697  ?   ?       ?      ? 
1 1 1   -7    4   31 o  555.747   32.640  633.114   70.788   0.0000   0.0000  633.114   70.788  ?   ?   555.747   32.640      ?      ? 
1 1 1   -7    4   32 f  340.140   20.935  237.225   27.712  241.153   38.037  232.782   40.457  343.813   28.350  336.468   30.812 7.345123 41.86958 
1 1 1   -7    4   33 o  600.431   22.283  749.820   52.143  767.830   72.566  730.594   74.974  609.012   30.534  591.850   32.461 17.16235 44.56503 
1 1 1   -7    4   34 o  438.804   21.889  401.283   37.412  415.466   52.056  386.132   53.804  447.850   29.786  429.758   32.082 18.09235 43.77712 
1 1 1   -7    4   35 o  369.300   22.970  286.510   33.089  292.034   46.448  280.819   47.149  373.402   31.875  365.198   33.083 8.203674 45.94086 
1 1 1   -7    4   36 o  425.575   22.753  382.555   37.749  397.742   53.107  367.046   53.668  435.000   31.284  416.151   33.047 18.84833 45.50610 
1 1 1   -7    5    1 o  739.124   28.209  1081.85   81.329  1112.90  117.195  1053.00  112.956  749.294   40.080  728.954   39.708 20.34009 56.41882 
1 1 1   -7    5    2 o  396.022   22.325  309.110   34.501  311.967   49.023  306.306   48.564  397.835   31.577  394.210   31.569 3.624756 44.65054 
1 1 1   -7    5    3 o  299.696   20.611  176.853   24.104  177.391   33.971  176.307   34.207  300.169   29.001  299.223   29.295 0.9461060 41.22153 
1 1 1   -7    5    4 o  626.509   26.999  771.474   65.516  835.641  100.270  723.669   86.546  648.642   39.613  604.377   36.695 44.26520 53.99705 
1 1 1   -7    5    5 o  344.749   86.507  262.923  116.193   0.0000   0.0000  262.923  116.193  ?   ?   344.749   86.507      ?      ? 
1 1 1   -7    5    6 o  425.902   20.672  363.422   32.992  378.357   41.751  338.594   53.833  438.497   24.399  413.306   33.377 25.19156 41.34377 
1 1 1   -7    5    7 o  603.888   22.805  739.517   52.323  817.301   69.093  634.929   80.118  643.300   27.523  564.476   36.371 78.82410 45.61052 
1 1 1   -7    5    8 o  413.360   17.365  336.630   27.989  356.260   40.192  318.149   38.999  425.107   24.228  401.613   24.884 23.49387 34.73018 
1 1 1   -7    5    9 o  457.136   17.729  411.033   31.567  446.788   46.108  379.487   43.309  475.834   24.830  438.438   25.313 37.39661 35.45822 
1 1 1   -7    5   10 o  142.529   16.800   40.586   9.1456   38.293   12.789   42.987   13.084  137.302   24.781  147.756   22.691 -10.45338 33.60005 
1 1 1   -7    5   11 o  192.403   17.276   73.520   12.745   90.323   18.197   57.340   17.857  214.350   21.754  170.455   26.845 43.89485 34.55267 
1 1 1   -7    5   12 o  603.888   19.483  718.701   45.904  736.466   65.705  701.764   64.158  611.176   27.548  596.601   27.557 14.57471 38.96558 
1 1 1   -7    5   13 o  287.890   23.601  157.736   26.007  128.057   33.287  204.244   41.669  254.425   33.526  321.356   33.227 -66.93094 47.20174 
1 1 1   -7    5   14 f  407.032   17.521  325.537   27.823  334.179   39.397  316.939   39.300  412.455   24.477  401.608   25.076 10.84702 35.04144 
1 1 1   -7    5   15 o  542.963   18.846  579.443   39.928  575.102   55.975  583.941   56.971  540.913   26.517  545.013   26.787 -4.099976 37.69215 
1 1 1   -7    5   16 o  978.860   25.173  1892.15   96.121  1935.64  138.349  1851.57  133.645  989.649   35.823  968.071   35.377 21.57788 50.34663 
1 1 1   -7    5   17 o  1077.19   26.870  2296.62  112.945  2315.46  160.695  2278.22  158.778  1081.52   38.075  1072.85   37.924 8.671997 53.73954 
1 1 1   -7    5   18 o  1106.35   33.537  2464.23  138.382  2515.96  173.205  2372.94  230.099  1126.46   39.402  1086.24   54.282 40.21960 67.07476 
1 1 1   -7    5   19 o  309.925   22.765  183.388   26.605  213.397   44.967  167.226   33.001  328.461   35.082  291.388   29.022 37.07376 45.53011 
1 1 1   -7    5   20 o  450.423   19.258  396.041   33.594  374.234   44.387  425.278   51.396  436.193   26.076  464.652   28.345 -28.45975 38.51504 
1 1 1   -7    5   21 o  575.600   19.962  652.998   44.813  680.240   63.570  626.086   63.183  587.637   27.721  563.563   28.730 24.07379 39.92304 
1 1 1   -7    5   22 o  416.779   27.642  342.345   44.958   0.0000   0.0000  342.345   44.958  ?   ?   416.779   27.642      ?      ? 
1 1 1   -7    5   23 o  438.891   19.105  380.601   32.575  424.966   46.329  337.225   45.810  464.480   25.560  413.303   28.403 51.17639 38.21032 
1 1 1   -7    5   24 o  857.098   23.850  1460.99   79.730  1451.90  110.811  1470.75  114.808  854.576   33.228  859.620   34.224 -5.044800 47.70072 
1 1 1   -7    5   25 o  451.150   35.559  407.647   62.604   0.0000   0.0000  407.647   62.604  ?   ?   451.150   35.559      ?      ? 
1 1 1   -7    5   26 o  348.787   30.064  232.452   31.192  224.096   34.164  274.308   76.463  335.985   26.057  361.589   54.188 -25.60303 60.12733 
1 1 1   -7    5   27 o  150.464   23.908   47.633   13.671   44.755   20.162   50.082   18.599  145.781   35.721  155.148   31.788 -9.366913 47.81676 
1 1 1   -7    5   28 o  304.117   20.137  184.803   23.817  173.916   32.100  198.138   35.525  294.371   27.943  313.864   29.004 -19.49341 40.27478 
1 1 1   -7    5   29 o  250.382   21.388  127.635   20.752  139.184   28.710  115.000   30.029  262.963   27.978  237.802   32.359 25.16095 42.77689 
1 1 1   -7    5   30 o  422.141   22.589  364.330   36.039  368.561   45.843  357.483   58.311  427.688   27.467  416.593   35.868 11.09537 45.17707 
1 1 1   -7    5   31 o  250.262   28.553  132.855   25.862  135.554   43.698  131.400   32.084  247.508   46.960  253.018   32.494 -5.509872 57.10640 
1 1 1   -7    5   32 o  189.269   26.363   77.940   18.709   74.411   27.608   80.938   25.442  184.052   39.611  194.486   34.800 -10.43367 52.72658 
1 1 1   -7    5   33 o  153.798   28.759   53.910   17.431   47.031   27.967   58.280   22.291  144.379   44.886  163.217   35.967 -18.83751 57.51804 
1 1 1   -7    5   34 f  332.333   22.034  229.975   28.563  220.895   39.974  239.445   40.827  325.419   31.478  339.248   30.839 -13.82889 44.06720 
1 1 1   -7    5   35 o  284.125   22.989  167.947   25.354  189.376   38.253  151.156   33.861  300.019   32.673  268.232   32.348 31.78720 45.97733 
1 1 1   -7    6    1 o  218.111   33.805  113.993   23.047  125.142   25.540   65.121   53.475  252.257   25.945  183.965   62.433 68.29227 67.60942 
1 1 1   -7    6    2 o  695.916   28.495  947.986   76.412  1060.40  120.070  871.467   99.062  729.387   42.183  662.445   38.320 66.94208 56.99015 
1 1 1   -7    6    3 o  163.477   30.960   59.564   19.350   67.782   22.387   35.288   38.478  182.488   32.634  144.467   52.622 38.02055 61.91922 
1 1 1   -7    6    4 o  477.910   53.155  558.402   65.181  593.004   71.372  384.488  160.008  547.065   33.432  408.756  100.916 138.3085 106.3095 
1 1 1   -7    6    5 o  278.320   19.244  152.055   20.732  181.161   30.451  126.906   28.306  303.184   25.737  253.457   28.618 49.72723 38.48855 
1 1 1   -7    6    6 o  925.760   28.678  1741.21  101.535  1863.92  134.174  1576.76  155.322  967.303   35.545  884.218   45.013 83.08521 57.35521 
1 1 1   -7    6    7 o  568.899   22.055  657.225   47.480  718.819   62.016  569.988   73.805  603.241   26.344  534.556   35.380 68.68500 44.11081 
1 1 1   -7    6    8 o  1524.40   42.825  4882.51  248.749  5077.11  323.789  4602.25  388.577  1573.43   52.733  1475.36   67.491 98.06970 85.64949 
1 1 1   -7    6    9 o  317.674   20.218  203.029   23.770  210.777   29.621  189.017   39.835  327.104   23.205  308.245   33.116 18.85953 40.43682 
1 1 1   -7    6   10 o  496.867   21.377  485.657   39.526  478.331   48.861  499.529   67.233  492.545   25.420  501.188   34.376 -8.643219 42.75378 
1 1 1   -7    6   11 f  367.530   22.186  278.016   29.411  299.169   36.203  236.959   50.437  390.001   23.787  345.058   37.456 44.94281 44.37136 
1 1 1   -7    6   12 o  916.972   34.580  1689.95  123.718  1724.47  177.035  1657.00  172.964  926.074   48.987  907.869   48.820 18.20471 69.16045 
1 1 1   -7    6   13 o  260.616   26.085  151.394   22.126  172.267   26.629  104.853   39.763  296.219   23.037  225.013   46.808 71.20633 52.16938 
1 1 1   -7    6   14 o  457.021   17.981  410.416   32.065  416.572   45.279  404.224   45.414  460.488   25.197  453.555   25.658 6.933044 35.96152 
1 1 1   -7    6   15 o  689.680   20.756  935.237   55.834  972.831   80.467  900.333   77.536  703.036   29.330  676.324   29.377 26.71252 41.51239 
1 1 1   -7    6   16 o  537.671   19.000  568.297   39.853  584.207   56.280  552.295   56.442  545.281   26.448  530.061   27.286 15.22040 38.00083 
1 1 1   -7    6   17 o  855.738   28.284  1462.25   89.903  1486.52  111.815  1417.86  151.204  868.042   33.009  843.435   45.939 24.60687 56.56797 
1 1 1   -7    6   18 o  793.795   32.654  1243.58  101.152   0.0000   0.0000  1243.58  101.152  ?   ?   793.795   32.654      ?      ? 
1 1 1   -7    6   19 o  559.726   19.772  614.346   43.035  589.604   58.029  644.588   64.154  547.391   27.165  572.060   28.738 -24.66882 39.54482 
1 1 1   -7    6   20 o  630.496   28.780  760.895   59.710  735.877   67.651  849.083  127.014  611.142   28.366  649.851   50.085 -38.70880 57.55969 
1 1 1   -7    6   21 o  1244.02   30.341  3080.99  146.865  2975.43  198.923  3207.47  217.750  1221.44   41.733  1266.61   44.054 -45.16711 60.68285 
1 1 1   -7    6   22 o  263.654   19.563  136.407   20.037  130.704   26.869  143.551   30.074  257.566   26.732  269.742   28.570 -12.17651 39.12617 
1 1 1   -7    6   23 o  243.204   20.812  114.686   19.398   87.861   25.711  150.129   29.553  210.620   31.281  275.788   27.460 -65.16737 41.62422 
1 1 1   -7    6   24 o  173.163   25.012   59.052   15.953   75.851   26.374   49.359   20.033  191.831   36.565  154.495   34.137 37.33653 50.02378 
1 1 1   -7    6   25 o  400.255   33.235  316.700   37.953  311.410   41.319  345.252   96.000  396.336   26.715  404.175   60.865 -7.838196 66.46998 
1 1 1   -7    6   26 o  796.811   32.275  1274.24  100.360  1274.24  100.360   0.0000   0.0000  796.811   32.275  ?   ?       ?      ? 
1 1 1   -7    6   27 o  286.325   21.548  165.888   23.774  172.269   31.633  157.605   36.040  293.453   27.623  279.197   33.078 14.25601 43.09513 
1 1 1   -7    6   28 o  472.573   20.582  449.457   37.718  446.778   50.546  452.823   56.657  471.800   27.453  473.346   30.672 -1.546539 41.16393 
1 1 1   -7    6   29 o  197.888   25.005   80.931   18.650   61.813   25.287  103.735   27.617  169.698   39.002  226.077   31.303 -56.37921 50.01006 
1 1 1   -7    6   30 o  364.583   26.531  280.671   36.412  252.537   57.783  299.201   46.895  345.893   42.808  383.272   31.354 -37.37912 53.06210 
1 1 1   -7    6   31 o  138.929   26.098   37.537   14.417   61.470   24.105   24.208   17.988  168.547   37.603  109.310   36.201 59.23721 52.19690 
1 1 1   -7    6   32 o  213.742   27.730  100.711   22.072   57.630   30.422  148.591   32.072  159.147   46.237  268.336   30.628 -109.1890 55.46067 
1 1 1   -7    6   33 o  221.796   25.602  105.726   21.501  104.493   32.210  106.717   28.877  217.830   39.340  225.762   32.777 -7.931915 51.20466 
1 1 1   -7    6   34 o  397.110   22.445  330.267   34.679  348.896   48.318  310.477   49.801  409.928   30.205  384.292   33.208 25.63626 44.88987 
1 1 1   -7    6   35 o  184.359   29.570   81.959   21.817   45.740   33.677  108.155   28.640  142.002   49.494  226.717   32.371 -84.71567 59.14011 
1 1 1   -7    7    1 o  355.647   46.905  275.908   46.302  280.302   50.558  253.054  115.306  375.733   34.481  335.561   87.242 40.17163 93.80908 
1 1 1   -7    7    2 o  117.232   23.419   30.139   11.887   39.483   14.343   9.6503   21.238  139.106   27.397   95.359   37.989 43.74756 46.83754 
1 1 1   -7    7    3 o  656.188   65.641  918.174   96.592  907.941  101.976  1007.47  301.256  674.144   38.763  638.232  125.428 35.91217 131.2813 
1 1 1   -7    7    4 o  299.086   21.939  177.287   25.564  163.884   35.748  191.314   36.571  287.389   31.875  310.782   30.154 -23.39246 43.87847 
1 1 1   -7    7    5 o  629.120   26.437  790.392   64.869  818.068   93.661  764.877   89.930  639.639   37.523  618.602   37.253 21.03741 52.87476 
1 1 1   -7    7    6 o  965.670   34.046  1890.61  128.047  1987.27  188.477  1807.76  174.501  987.915   48.889  943.424   47.398 44.49078 68.09292 
1 1 1   -7    7    7 o  355.408   22.917  251.055   31.769  262.354   45.475  240.282   44.401  363.283   32.077  347.532   32.739 15.75073 45.83437 
1 1 1   -7    7    8 o  739.661   25.264  1103.90   70.785  1148.90   91.017  1035.04  112.604  761.097   30.644  718.225   40.176 42.87164 50.52872 
1 1 1   -7    7    9 o  654.006   23.895  842.485   58.367  824.732   72.373  875.513   98.713  645.875   28.714  662.138   38.203 -16.26288 47.79074 
1 1 1   -7    7   10 o  1149.64   33.532  2695.46  147.573  2879.63  195.302  2450.38  225.296  1200.05   41.704  1099.23   52.521 100.8164 67.06448 
1 1 1   -7    7   11 o  132.682   26.885   34.041   13.595   31.631   16.066   40.118   25.513  124.241   32.694  141.124   42.687 -16.88366 53.76923 
1 1 1   -7    7   12 o  351.829   21.300  243.190   26.894  241.775   32.202  246.454   48.900  350.869   23.518  352.789   35.519 -1.920105 42.59975 
1 1 1   -7    7   13 o  279.233   22.413  163.733   22.199  182.263   27.308  127.631   38.117  304.755   22.962  253.711   38.499 51.04410 44.82682 
1 1 1   -7    7   14 o  229.112   25.951  113.761   19.029  122.290   22.187   90.036   37.005  249.684   22.771  208.539   46.640 41.14545 51.90181 
1 1 1   -7    7   15 o  719.069   21.297  1018.14   59.754  1025.97   84.040  1010.13   84.977  721.929   29.831  716.210   30.404 5.718384 42.59416 
1 1 1   -7    7   16 o  568.915   23.258  648.860   49.411  677.502   62.309  600.333   81.105  587.077   27.197  550.753   37.736 36.32355 46.51559 
1 1 1   -7    7   17 o  345.466   23.589  221.521   30.829  312.037   51.138  169.842   38.640  397.645   32.955  293.287   33.761 104.3577 47.17830 
1 1 1   -7    7   18 o  168.215   18.942   57.061   11.836   73.504   17.047   41.755   16.447  193.541   22.570  142.890   30.428 50.65118 37.88496 
1 1 1   -7    7   19 o  310.846   19.063  193.181   22.738  223.727   31.346  159.259   33.033  337.487   23.801  284.206   29.784 53.28076 38.12576 
1 1 1   -7    7   20 o  375.076   35.653  314.732   37.363  331.673   41.615  244.305   84.849  410.572   25.973  339.579   66.408 70.99301 71.30672 
1 1 1   -7    7   21 o  392.580   19.507  303.781   29.716  304.404   39.988  303.012   44.409  393.238   26.058  391.922   29.036 1.316498 39.01420 
1 1 1   -7    7   22 o  153.726   21.486   47.383   12.602   69.643   18.708   28.894   17.050  188.051   25.493  119.402   34.592 68.64939 42.97144 
1 1 1   -7    7   23 o  244.204   30.095  122.213   25.432  120.964   46.668  122.740   30.331  239.601   51.448  248.807   31.239 -9.206314 60.18944 
1 1 1   -7    7   24 o  316.154   23.034  199.904   28.061  194.247   42.862  204.147   37.123  311.664   35.242  320.643   29.668 -8.979645 46.06703 
1 1 1   -7    7   25 o  910.343   33.930  1613.22  102.104  1533.23  115.700  1894.83  217.084  874.279   33.912  946.407   58.779 -72.12805 67.85963 
1 1 1   -7    7   26 o  723.570   22.766  1054.44   64.182  1093.70   89.507  1012.89   92.082  738.194   31.071  708.946   33.283 29.24780 45.53222 
1 1 1   -7    7   27 o  634.686   32.357  814.933   80.142   0.0000   0.0000  814.933   80.142  ?   ?   634.686   32.357      ?      ? 
1 1 1   -7    7   28 o  167.736   23.773   57.446   15.241   77.519   22.897   41.478   20.423  195.888   29.953  139.585   36.923 56.30260 47.54511 
1 1 1   -7    7   29 o  218.393   22.748   97.561   19.276  107.015   26.927   87.626   27.605  229.884   30.016  206.901   34.190 22.98370 45.49607 
1 1 1   -7    7   30 o  216.123   29.766   86.895   21.433  135.581   44.729   72.384   24.419  247.501   48.043  184.745   35.156 62.75591 59.53196 
1 1 1   -7    7   31 o  346.032   29.477  265.089   37.678  215.656   59.760  297.705   48.542  312.487   49.006  379.577   32.771 -67.09048 58.95327 
1 1 1   -7    7   32 o  284.945   23.551  169.306   26.129  154.501   36.136  185.529   37.826  271.455   34.113  298.435   32.480 -26.97992 47.10210 
1 1 1   -7    7   33 o  268.911   23.184  150.712   24.261  165.526   35.849  138.195   32.953  281.095   32.681  256.727   32.892 24.36740 46.36745 
1 1 1   -7    7   34 o  356.030   23.094  266.216   32.017  287.326   45.569  245.634   44.995  370.863   31.487  341.197   33.793 29.66599 46.18856 
1 1 1   -7    7   35 o  107.094   27.376   22.799   16.378 -33.4616   38.741   35.042   18.072   88.178   41.832  126.011   35.327 -37.83356 54.75301 
1 1 1   -7    8    1 o  140.857   36.153   34.487   25.654   33.841   36.333   35.130   36.227  140.226   51.125  141.488   51.132 -1.262009 72.30628 
1 1 1   -7    8    2 o  106.504   27.185   18.580   13.258   17.811   15.489   20.689   25.644   98.391   33.599  114.617   42.746 -16.22596 54.37012 
1 1 1   -7    8    3 o  121.359   24.966   32.028   13.171   41.181   15.812   11.286   23.803  141.608   29.568  101.109   40.236 40.49923 49.93258 
1 1 1   -7    8    4 o  148.805   36.008   33.996   20.548   27.821   22.689   62.164   48.456  120.984   40.669  176.625   59.433 -55.64097 72.01611 
1 1 1   -7    8    5 o  467.103   53.674  490.533   61.883  496.477   66.458  451.762  169.732  499.143   34.118  435.063  101.782 64.08038 107.3482 
1 1 1   -7    8    6 o  777.557   79.564  1394.20  133.152  1385.55  140.386  1471.72  420.212  828.867   43.402  726.246  153.094 102.6212 159.1277 
1 1 1   -7    8    7 o  123.827   23.688   31.461   11.738   33.873   16.732   29.123   16.471  128.204   33.185  119.449   33.810 8.755074 47.37511 
1 1 1   -7    8    8 o  935.912   33.045  1753.96  120.157  1898.17  180.600  1639.43  160.947  969.528   47.734  902.297   45.709 67.23047 66.08959 
1 1 1   -7    8    9 o  534.348   24.741  564.887   51.516  603.998   75.201  530.304   70.714  551.741   34.927  516.956   35.053 34.78491 49.48283 
1 1 1   -7    8   10 o  943.869   49.545  1792.41  182.492  1792.41  182.492   0.0000   0.0000  943.869   49.545  ?   ?       ?      ? 
1 1 1   -7    8   11 o  725.987   25.054  1061.75   69.205  1143.40   90.676  947.842  107.103  761.361   30.519  690.612   39.741 70.74982 50.10718 
1 1 1   -7    8   12 o  1398.19   39.286  3990.35  210.053  4228.72  276.590  3665.52  322.869  1453.36   48.768  1343.01   61.605 110.3516 78.57131 
1 1 1   -7    8   13 o  809.127   26.882  1254.66   78.874  1188.04   94.259  1410.24  144.049  776.431   31.109  841.824   43.849 -65.39294 53.76350 
1 1 1   -7    8   14 o  232.733   22.804   91.994   18.216   78.122   20.680  140.038   38.485  199.391   26.577  266.075   37.064 -66.68425 45.60794 
1 1 1   -7    8   15 f  1005.01   81.300  2039.33  139.211  2017.92  142.879  2440.52  618.378  1010.33   36.239  999.688  158.510 10.64453 162.6001 
1 1 1   -7    8   16 o  455.567   51.399  397.187   60.427  384.303   64.665  485.909  169.692  440.592   37.610  470.541   95.672 -29.94897 102.7987 
1 1 1   -7    8   17 o  184.635   30.740   89.275   20.368  105.561   22.503   15.463   47.906  231.810   24.876  137.460   56.222 94.34990 61.47935 
1 1 1   -7    8   18 o  493.727   25.235  433.156   41.241  394.496   46.341  580.368   90.429  447.821   26.518  539.634   42.941 -91.81332 50.46924 
1 1 1   -7    8   19 o  702.611   29.991  973.820   82.232  973.820   82.232   0.0000   0.0000  702.611   29.991  ?   ?       ?      ? 
1 1 1   -7    8   20 o  586.541   31.108  615.640   53.952  580.786   58.696  805.492  136.990  542.927   27.703  630.156   55.707 -87.22913 62.21520 
1 1 1   -7    8   21 o  379.762   19.818  283.158   29.076  275.797   38.278  293.198   44.707  374.206   26.212  385.317   29.732 -11.11084 39.63693 
1 1 1   -7    8   22 o  203.805   21.460   85.604   15.879  115.610   22.598   56.337   22.317  242.353   23.894  165.256   35.653 77.09634 42.91913 
1 1 1   -7    8   23 o  425.464   29.877  358.950   49.606   0.0000   0.0000  358.950   49.606  ?   ?   425.464   29.877      ?      ? 
1 1 1   -7    8   24 o  302.923   43.874  118.986   26.122  108.445   26.798  319.878  116.989  233.534   29.405  372.312   82.674 -138.7785 87.74731 
1 1 1   -7    8   25 o  241.282   20.876  117.157   19.492  128.705   26.890  104.371   28.295  254.344   27.091  228.219   31.770 26.12532 41.75270 
1 1 1   -7    8   27 o  675.185   34.869  929.786   91.874   0.0000   0.0000  929.786   91.874  ?   ?   675.185   34.869      ?      ? 
1 1 1   -7    8   28 o  259.862   22.634  141.665   21.108  195.945   30.303   90.507   29.419  313.014   24.808  206.710   37.865 106.3040 45.26781 
1 1 1   -7    8   29 o  243.501   27.510  104.720   22.893  166.197   48.836   87.407   25.916  279.934   44.705  207.069   32.072 72.86501 55.01927 
1 1 1   -7    8   30 o  134.215   27.079   37.802   14.472   42.925   23.999   34.874   18.141  140.700   41.121  127.729   35.245 12.97076 54.15834 
1 1 1   -7    8   31 o  523.928   33.737  571.455   68.979   0.0000   0.0000  571.455   68.979  ?   ?   523.928   33.737      ?      ? 
1 1 1   -7    8   32 o  155.893   28.342   56.555   17.552   41.113   28.241   66.274   22.405  136.523   45.366  175.262   33.985 -38.73869 56.68355 
1 1 1   -7    8   33 o  249.084   24.513  131.628   23.663  126.298   35.055  136.089   32.073  243.129   36.947  255.038   32.226 -11.90860 49.02605 
1 1 1   -7    8   35 o  218.779   25.202   89.146   19.552  168.614   35.418   54.315   23.448  282.586   32.118  154.973   38.847 127.6132 50.40469 
1 1 1   -7    9    1 o  605.716   90.913  945.605  208.247  946.842  294.590  944.370  294.422  606.183  128.520  605.248  128.619 0.9356689 181.8252 
1 1 1   -7    9    2 o  519.519   79.871  661.830  157.308  649.664  221.601  674.188  223.342  514.001  113.510  525.037  112.398 -11.03516 159.7428 
1 1 1   -7    9    3 o  504.280   77.699  615.909  148.607  578.911  207.487  654.879  212.942  486.617  111.635  521.943  108.102 -35.32620 155.3977 
1 1 1   -7    9    4 o  448.696   52.538  455.549   59.010  463.608   63.550  405.119  158.981  482.713   33.736  414.678   99.512 68.03473 105.0752 
1 1 1   -7    9    5 o  364.867   46.629  265.311   44.173  259.014   47.321  307.964  123.162  361.011   33.589  368.722   86.999 -7.710815 93.25848 
1 1 1   -7    9    6 o  512.564   55.851  587.539   69.964  595.279   75.096  536.633  192.579  547.155   35.170  477.973  106.022 69.18234 111.7029 
1 1 1   -7    9    7 o  790.731   79.049  1443.90  137.134  1448.79  145.111  1403.12  419.391  850.197   43.737  731.263  151.928 118.9340 158.0980 
1 1 1   -7    9    8 o  411.519   95.268  381.915  149.971  381.915  149.971   0.0000   0.0000  411.519   95.268  ?   ?       ?      ? 
1 1 1   -7    9    9 o  738.650  142.388  1347.04  395.555  1347.04  395.555   0.0000   0.0000  738.650  142.388  ?   ?       ?      ? 
1 1 1   -7    9   10 o  751.775   29.075  1110.52   84.717  1246.32  129.354  1008.53  112.104  791.254   41.892  712.296   40.330 78.95782 58.15034 
1 1 1   -7    9   11 o  486.403   21.643  456.617   38.693  438.463   46.935  495.130   68.363  472.382   25.461  500.425   35.007 -28.04355 43.28631 
1 1 1   -7    9   12 o  378.719   20.054  278.518   27.316  272.908   32.645  291.616   49.883  373.024   22.426  384.414   33.252 -11.38989 40.10773 
1 1 1   -7    9   13 o  509.040   22.326  478.890   40.891  434.153   48.210  593.593   77.196  470.082   26.280  547.997   36.098 -77.91522 44.65115 
1 1 1   -7    9   14 o  332.418   43.250  222.151   30.479  221.068   31.805  234.326  106.644  335.610   24.285  329.225   83.022 6.384735 86.50076 
1 1 1   -7    9   15 o  850.614   45.566  1441.89  151.255   0.0000   0.0000  1441.89  151.255  ?   ?   850.614   45.566      ?      ? 
1 1 1   -7    9   16 o  560.253   24.197  625.481   48.390  633.578   57.991  606.917   87.806  567.731   26.175  552.775   40.705 14.95593 48.39421 
1 1 1   -7    9   17 o  806.772   28.365  1240.17   80.494  1175.03   94.062  1418.36  155.581  771.714   31.234  841.829   47.359 -70.11487 56.73094 
1 1 1   -7    9   18 o  736.195   27.980  1073.21   73.272  1067.06   87.201  1087.98  135.147  735.424   30.384  736.967   46.992 -1.542480 55.95973 
1 1 1   -7    9   19 f  427.433   27.975  332.748   37.351  313.983   41.293  417.185   87.591  399.384   26.495  455.482   49.279 -56.09851 55.94942 
1 1 1   -7    9   20 o  1125.28   39.536  2522.09  173.612  2522.09  173.612   0.0000   0.0000  1125.28   39.536  ?   ?       ?      ? 
1 1 1   -7    9   21 o  458.282   27.646  327.700   37.396  287.832   40.281  576.493  100.626  382.040   27.019  534.525   48.240 -152.4851 55.29141 
1 1 1   -7    9   22 f  597.945   55.261  733.712  128.947   0.0000   0.0000  733.712  128.947  ?   ?   597.945   55.261      ?      ? 
1 1 1   -7    9   23 o  733.310   62.255  1132.20  178.152   0.0000   0.0000  1132.20  178.152  ?   ?   733.310   62.255      ?      ? 
1 1 1   -7    9   24 o  383.330   43.789  258.521   35.611  247.072   37.028  399.577  129.971  352.724   26.901  413.936   83.343 -61.21301 87.57742 
1 1 1   -7    9   25 o  397.159   52.185  348.866   62.216  341.117   69.185  381.623  142.245  406.819   43.579  387.499   94.836 19.32013 104.3700 
1 1 1   -7    9   26 o  339.262   21.723  220.670   28.007  182.559   35.101  287.451   46.464  301.218   29.861  377.307   31.557 -76.08917 43.44525 
1 1 1   -7    9   27 o  312.368   22.176  196.742   26.771  190.877   35.274  204.710   41.112  307.612   29.384  317.123   33.221 -9.511688 44.35162 
1 1 1   -7    9   28 o  161.829   25.354   55.952   15.545   52.909   23.087   58.476   21.025  157.049   38.067  166.609   33.499 -9.560669 50.70746 
1 1 1   -7    9   29 o  194.954   34.601   86.498   23.782   73.889   50.866   90.025   26.904  180.236   60.892  209.671   32.881 -29.43481 69.20287 
1 1 1   -7    9   30 f  290.556   22.055  173.803   24.857  194.813   35.165  152.821   35.141  309.069   29.156  272.044   33.101 37.02420 44.11068 
1 1 1   -7    9   31 o  198.678   26.541   85.855   19.904   78.143   29.857   92.024   26.704  187.048   41.939  210.308   32.538 -23.25993 53.08138 
1 1 1   -7    9   33 o  161.048   28.653   56.606   17.160   64.123   30.143   53.002   20.871  166.599   45.211  155.497   35.213 11.10152 57.30607 
1 1 1   -7    9   34 o  149.851   29.710   56.935   19.544   19.386   36.877   71.600   23.047  118.013   48.906  181.689   33.747 -63.67538 59.41940 
1 1 1   -7   10    1 o  547.250   81.270  721.012  168.037  715.140  237.199  726.929  238.083  544.713  115.187  549.788  114.680 -5.074463 162.5409 
1 1 1   -7   10    2 o  694.339   99.780  1246.06  261.121  1197.85  365.242  1296.46  373.456  678.464  142.484  710.215  139.724 -31.75128 199.5608 
1 1 1   -7   10    3 f  483.209   74.167  544.172  135.839  551.183  192.632  537.238  191.583  486.648  104.550  479.769  105.223 6.879517 148.3331 
1 1 1   -7   10    4 o  835.311  122.600  1963.25  386.513  1886.37  539.760  2044.16  553.730  815.646  174.831  854.975  171.923 -39.32886 245.2009 
1 1 1   -7   10    5 o  322.259   44.593  225.884   39.627  229.894   43.054  203.663  101.351  340.814   32.371  303.704   83.103 37.11017 89.18516 
1 1 1   -7   10    6 o  381.552   91.248  325.627  134.033  325.627  134.033   0.0000   0.0000  381.552   91.248  ?   ?       ?      ? 
1 1 1   -7   10    7 o  234.289   71.389  115.299   71.164  115.299   71.164   0.0000   0.0000  234.289   71.389  ?   ?       ?      ? 
1 1 1   -7   10    8 o  440.866   51.528  433.686   57.988  443.946   62.679  372.743  152.755  473.823   33.898  407.908   97.321 65.91486 103.0558 
1 1 1   -7   10    9 o  842.850   80.128  1622.21  151.529  1635.02  160.862  1521.37  451.424  905.016   45.548  780.683  153.647 124.3328 160.2562 
1 1 1   -7   10   10 o  484.883   54.033  516.216   66.111  525.149   71.294  461.397  176.610  515.363   35.450  454.403  102.087 60.96011 108.0669 
1 1 1   -7   10   11 o  460.724   50.236  449.854   59.495  453.305   64.221  428.966  158.015  479.130   34.347  442.318   94.418 36.81247 100.4713 
1 1 1   -7   10   12 o  825.998   76.372  1558.51  150.131  1388.31  416.272  1583.95  160.964  760.486  145.569  891.509   46.267 -131.0234 152.7447 
1 1 1   -7   10   13 f  359.694   45.950  284.834   34.826  288.550   36.454  245.994  117.849  383.417   24.363  335.971   88.613 47.44635 91.90095 
1 1 1   -7   10   14 o  340.982   27.657  222.541   36.165  184.639   46.384  281.307   57.756  305.245   38.939  376.719   39.287 -71.47430 55.31482 
1 1 1   -7   10   15 o  188.229   31.361   80.655   19.083   87.124   21.072   51.171   44.988  210.561   25.645  165.898   57.240 44.66298 62.72223 
1 1 1   -7   10   16 o  783.472   28.049  1205.20   78.858  1183.84   94.179  1255.31  144.242  774.642   31.155  792.301   46.652 -17.65833 56.09810 
1 1 1   -7   10   17 o  966.189   32.012  1659.81  102.017  1501.66  114.386  2274.68  225.547  871.380   33.638  1061.00   54.474 -189.6188 64.02328 
1 1 1   -7   10   18 o  420.496   27.645  315.672   36.010  294.915   39.633  413.872   86.204  387.111   26.236  453.880   48.669 -66.76917 55.29029 
1 1 1   -7   10   19 o  670.562   28.258  821.925   62.487  763.891   70.334  1039.35  136.137  622.287   28.963  718.836   48.530 -96.54877 56.51607 
1 1 1   -7   10   20 o  320.097   35.815  196.912   29.951  191.843   32.153  230.176   82.358  312.017   26.406  328.177   66.584 -16.16052 71.62944 
1 1 1   -7   10   21 o  233.975   42.277   90.885   26.172   84.584   27.527  150.200   84.454  206.266   34.198  261.683   77.329 -55.41782 84.55307 
1 1 1   -7   10   22 o  880.184   36.706  1400.65   95.134  1310.07  103.343  1903.76  243.564  811.156   32.647  949.212   65.753 -138.0562 73.41219 
1 1 1   -7   10   23 o  499.482   41.760  419.447   57.642  380.603   61.487  701.206  165.601  435.137   36.210  563.828   75.263 -128.6910 83.52077 
1 1 1   -7   10   24 o  272.493   45.019  133.402   27.681  127.676   28.736  207.136  103.118  252.854   29.122  292.133   85.198 -39.27946 90.03801 
1 1 1   -7   10   25 o  402.319   44.541  354.031   41.960  352.645   44.596  364.725  123.893  420.042   27.206  384.597   84.827 35.44498 89.08297 
1 1 1   -7   10   26 o  175.493   47.402   53.146   20.570   54.495   20.744 -26.2760  159.158  160.865   34.103  190.122   88.459 -29.25772 94.80464 
1 1 1   -7   10   27 o  214.074   47.830   84.677   26.002   81.840   26.734  134.354  111.874  196.996   36.106  231.152   88.584 -34.15588 95.66003 
1 1 1   -7   10   28 o  225.563   52.251  128.089   50.877  135.968   58.082  102.105  105.472  240.476   61.614  210.650   84.406 29.82645 104.5021 
1 1 1   -7   10   29 f  250.823   47.168  127.034   28.952  122.192   30.039  190.304  108.592  244.358   31.501  257.288   88.921 -12.92928 94.33610 
1 1 1   -7   10   30 o  355.859   41.491  248.025   37.399  231.110   39.786  376.446  109.625  335.246   30.411  376.471   77.209 -41.22482 82.98261 
1 1 1   -7   10   31 o  378.025   43.427  357.335   59.115  474.930   82.836  235.294   84.388  462.233   45.923  293.817   73.720 168.4156 86.85397 
1 1 1   -7   10   32 o  286.383   46.262  221.154   53.304  284.925   72.221  144.848   79.001  349.610   52.936  223.157   75.884 126.4529 92.52339 
1 1 1   -7   10   33 o  115.087   32.117   10.765   27.786   46.544   29.900 -215.6779   75.221  142.962   46.640   87.211   44.168 55.75115 64.23489 
1 1 1   -7   10   34 o  147.747   33.706   55.519   29.364   84.256   31.532 -132.1352   80.576  191.329   43.248  104.166   51.710 87.16280 67.41169 
1 1 1   -7   11    1 o  868.131  124.753  2085.97  408.227  2082.02  576.957  2089.92  577.683  867.182  176.493  869.080  176.360 -1.898438 249.5051 
1 1 1   -7   11    2 o  275.053   77.173  163.946   86.207  163.946   86.207   0.0000   0.0000  275.053   77.173  ?   ?       ?      ? 
1 1 1   -7   11    3 o  444.056   98.353  444.641  165.943  444.641  165.943   0.0000   0.0000  444.056   98.353  ?   ?       ?      ? 
1 1 1   -7   11    4 o  299.333   80.579  195.319   96.210  195.319   96.210   0.0000   0.0000  299.333   80.579  ?   ?       ?      ? 
1 1 1   -7   11    5 o  747.647  100.765  1371.51  283.193  1311.90  395.418  1434.28  405.774  728.821  144.135  766.472  140.852 -37.65033 201.5292 
1 1 1   -7   11    6 o  529.660   55.947  601.720   72.838  604.880   78.056  580.433  202.611  552.625   36.195  506.695  105.879 45.92972 111.8947 
1 1 1   -7   11    7 o  184.454   39.169   63.407   26.491   58.593   29.922   80.859   56.973  168.461   44.756  200.446   64.295 -31.98526 78.33848 
1 1 1   -7   11    8 f  302.230   42.134  207.083   37.819  218.800   42.029  157.236   86.686  333.017   32.341  271.443   77.815 61.57413 84.26851 
1 1 1   -7   11    9 o  302.563   42.602  197.460   37.538  202.438   41.290  173.749   90.118  320.314   33.032  284.812   78.540 35.50153 85.20338 
1 1 1   -7   11   10 f  297.500   41.308  212.766   37.622  235.318   42.433  129.881   81.348  345.559   31.467  249.441   76.389 96.11777 82.61575 
1 1 1   -7   11   11 o  634.891   60.445  837.445   92.424  833.255   98.503  868.281  267.224  648.602   38.917  621.179  114.454 27.42303 120.8894 
1 1 1   -7   11   12 o  241.806   35.115  146.573   32.198  199.935   39.516   41.167   55.538  318.488   31.794  165.124   62.621 153.3639 70.23023 
1 1 1   -7   11   13 o  456.081   99.832  461.553  172.751   0.0000   0.0000  461.553  172.751  ?   ?   456.081   99.832      ?      ? 
1 1 1   -7   11   14 f  740.274   70.690  1254.00   95.492  1265.52   99.193  1108.20  352.871  800.955   31.735  679.593  137.772 121.3621 141.3799 
1 1 1   -7   11   15 f  511.872   24.888  498.963   43.444  479.420   49.981  559.355   87.862  493.785   25.938  529.959   42.484 -36.17401 49.77642 
1 1 1   -7   11   16 o  707.277   27.687  921.405   66.256  855.243   75.448  1144.38  138.506  658.657   29.353  755.896   46.954 -97.23895 55.37431 
1 1 1   -7   11   17 o  566.921   28.042  596.749   51.790  564.578   58.175  719.651  113.704  535.326   27.847  598.516   48.682 -63.19055 56.08384 
1 1 1   -7   11   18 o  494.923   29.368  475.140   45.279  466.352   50.426  511.722  102.881  486.654   26.552  503.193   52.393 -16.53928 58.73667 
1 1 1   -7   11   19 o  457.195   28.713  341.832   38.477  308.894   41.499  543.567  102.702  395.880   26.862  518.509   50.757 -122.6286 57.42660 
1 1 1   -7   11   20 o  253.203   42.640  126.510   30.570  124.084   32.721  143.171   85.743  249.973   33.542  256.433   78.408 -6.459503 85.28093 
1 1 1   -7   11   21 o  327.579   52.490  145.725   27.507  138.656   27.945  365.865  155.934  264.794   27.043  390.364  101.437 -125.5702 104.9798 
1 1 1   -7   11   22 o  462.714   43.920  351.428   41.953  335.161   43.330  595.219  167.744  411.173   27.004  514.256   83.586 -103.0829 87.84023 
1 1 1   -7   11   23 o  137.340   41.039   16.806   14.503   16.246   14.703   36.995   88.276   94.342   32.713  180.339   75.277 -85.99641 82.07780 
1 1 1   -7   11   24 o  365.442   42.508  248.090   34.788  237.651   36.422  356.617  117.436  345.072   27.047  385.812   80.598 -40.74054 85.01568 
1 1 1   -7   11   25 o  352.849   60.741  328.894   42.952  330.813   43.935  287.435  204.202  406.155   27.720  299.543  118.278 106.6118 121.4827 
1 1 1   -7   11   26 o  287.493   60.214  135.768   28.097  131.136   28.408  344.108  190.515  255.146   28.531  319.839  117.001 -64.69261 120.4289 
1 1 1   -7   11   27 o  143.977   46.511  -5.0091   45.280  -5.3549   49.809  -3.3630  108.687  120.033   53.278  167.920   76.254 -47.88628 93.02267 
1 1 1   -7   11   28 o  262.326   44.741  200.739   35.900  214.284   37.874   80.879  112.663  324.724   29.888  199.929   84.343 124.7953 89.48208 
1 1 1   -7   11   29 o  313.750   53.024  255.169   60.494  254.816   71.116  256.092  115.064  335.650   54.294  291.849   91.096 43.80090 106.0484 
1 1 1   -7   11   30 o  183.848   35.246   96.925   29.765  118.111   32.023 -37.5791   80.689  237.256   34.588  130.440   61.424 106.8161 70.49236 
1 1 1   -7   11   31 o  238.197   38.521  164.883   32.837  187.437   36.783   76.356   72.873  299.967   31.423  176.428   70.342 123.5398 77.04140 
1 1 1   -7   11   32 o  278.406   42.272  224.286   43.302  266.394   51.329  120.347   80.644  352.634   37.300  204.178   75.870 148.4558 84.54308 
1 1 1   -7   11   33 o  259.366   42.789  183.820   34.827  190.700   37.987  147.548   87.224  301.081   32.331  217.650   79.235 83.43091 85.57713 
1 1 1   -7   12    1 o  388.700   64.373  333.607   95.951  320.165  134.868  347.384  136.536  380.268   91.904  397.131   90.161 -16.86249 128.7459 
1 1 1   -7   12    2 o  690.058   92.710  1127.85  240.516  1100.89  337.945  1155.52  342.382  680.703  131.984  699.414  130.235 -18.71143 185.4210 
1 1 1   -7   12    3 o  542.313   77.316  665.837  157.965  694.231  225.516  638.487  221.334  554.811  108.046  529.815  110.623 24.99634 154.6326 
1 1 1   -7   12    4 o  451.587   69.437  452.974  118.892  434.312  166.941  472.182  169.361  441.333   99.330  461.842   97.053 -20.50906 138.8731 
1 1 1   -7   12    5 o  614.232   83.696  862.849  193.279  812.020  269.382  916.777  277.474  593.605  120.407  634.858  116.284 -41.25360 167.3912 
1 1 1   -7   12    6 o  826.750  108.861  1683.42  338.294  1679.67  478.268  1687.17  478.574  825.633  154.109  827.868  153.796 -2.234253 217.7215 
1 1 1   -7   12    7 o  776.994   73.640  1348.52  132.046  1360.36  140.587  1259.85  384.697  827.021   43.561  726.967  140.690 100.0541 147.2792 
1 1 1   -7   12    8 f  766.904   70.880  1331.80  131.509  1355.71  141.337  1177.55  358.943  825.597   43.869  708.210  134.801 117.3870 141.7597 
1 1 1   -7   12    9 o  556.252   56.921  635.914   78.482  631.208   83.947  668.564  221.133  564.690   38.095  547.814  107.279 16.87646 113.8419 
1 1 1   -7   12   10 o  938.896  177.345  2280.84  625.968   0.0000   0.0000  2280.84  625.968  ?   ?   938.896  177.345      ?      ? 
1 1 1   -7   12   11 o  378.907   49.038  283.030   54.770  274.061   60.282  325.455  131.109  371.506   41.581  386.309   88.825 -14.80313 98.07549 
1 1 1   -7   12   12 o  104.619   29.844 -10.2393   21.805 -46.0571   29.458   33.174   32.431   72.019   34.772  137.219   48.513 -65.20009 59.68809 
1 1 1   -7   12   13 o  470.497   53.764  469.236   65.019  470.654   70.083  460.474  174.205  487.471   36.841  453.523  101.020 33.94849 107.5282 
1 1 1   -7   12   14 f  274.300   41.535  191.070   40.515  232.959   47.258   74.894   78.701  343.059   35.300  205.541   75.198 137.5183 83.07086 
1 1 1   -7   12   15 o  420.477   53.976  403.522   67.492  423.310   75.686  326.694  149.135  460.867   42.083  380.087   99.412 80.77966 107.9528 
1 1 1   -7   12   16 o  877.914   71.362  1472.27  109.743  1445.92  112.632  1966.23  487.622  854.749   33.767  901.079  138.672 -46.33051 142.7239 
1 1 1   -7   12   17 o  467.784   57.806  565.766   55.393  587.623   58.212  356.398  180.164  546.125   27.314  389.443  112.340 156.6822 115.6127 
1 1 1   -7   12   18 o  265.674   40.380  161.225   29.508  167.565   31.787  121.702   79.360  291.456   27.948  239.891   75.770 51.56465 80.76018 
1 1 1   -7   12   20 o  236.805   48.372  138.759   29.005  144.887   29.476 -48.1916  162.810  270.594   27.914  203.016   92.629 67.57765 96.74383 
1 1 1   -7   12   21 o  173.474   52.823   28.167   16.086   28.026   16.160   43.453  168.555  117.034   33.611  229.914  100.156 -112.8802 105.6452 
1 1 1   -7   12   22 o  228.841   52.187  111.579   46.683  109.465   52.384  119.737  102.901  223.066   59.196  234.615   85.962 -11.54890 104.3730 
1 1 1   -7   12   23 o  356.032   90.881  318.962  126.697   0.0000   0.0000  318.962  126.697  ?   ?   356.032   90.881      ?      ? 
1 1 1   -7   12   24 f  707.147   31.390  1009.40   86.623  1009.40   86.623   0.0000   0.0000  707.147   31.390  ?   ?       ?      ? 
1 1 1   -7   12   25 o  212.293   46.807   86.830   23.043   86.205   23.481  103.096  119.836  206.809   29.095  217.777   88.979 -10.96799 93.61494 
1 1 1   -7   12   26 o  255.294   55.946  186.702   60.793  206.371   64.212   16.657  188.807  302.653   56.444  207.935   96.613 94.71779 111.8930 
1 1 1   -7   12   27 o  238.232   42.440  152.254   31.693  161.662   33.641   78.002   94.508  282.005   30.569  194.459   79.185 87.54642 84.88091 
1 1 1   -7   12   28 o  281.222   45.225  180.565   32.651  178.099   34.526  201.452  100.464  295.451   29.945  266.992   85.350 28.45905 90.45099 
1 1 1   -7   12   29 f  128.552   37.865   25.855   19.839   28.558   20.385 -22.5728   86.285  116.910   38.529  140.194   65.196 -23.28396 75.72986 
1 1 1   -7   12   30 o  140.114   34.280   47.135   24.006   60.411   25.357 -67.5764   74.537  164.470   39.913  115.758   55.744 48.71191 68.55958 
1 1 1   -7   12   31 o  230.068   80.092  161.048   88.174   0.0000   0.0000  161.048   88.174  ?   ?   230.068   80.092      ?      ? 
1 1 1   -7   12   32 o  197.799   40.024  107.420   30.751  116.053   32.843   46.056   87.561  233.115   36.103  162.484   71.445 70.63029 80.04883 
1 1 1   -7   12   33 o  217.181   40.961  149.095   35.693  163.379   37.483   10.161  116.901  276.548   34.732  157.813   74.196 118.7343 81.92265 
1 1 1   -7   13    1 o  563.011   78.692  713.756  166.753  689.880  234.041  738.375  237.650  552.485  112.378  573.536  110.185 -21.05164 157.3832 
1 1 1   -7   13    2 o  116.120   31.370   18.761   19.801   19.458   28.242   18.087   27.769  117.191   44.604  115.049   44.123 2.142250 62.74062 
1 1 1   -7   13    3 o  147.378   37.535   37.003   27.659   31.925   39.232   42.021   39.000  142.315   52.911  152.441   53.255 -10.12653 75.07092 
1 1 1   -7   13    4 o  803.984  104.900  1562.22  316.974  1594.03  451.135  1531.21  445.457  812.970  147.638  794.998  149.061 17.97156 209.8002 
1 1 1   -7   13    5 o  609.388   83.035  842.544  190.303  837.594  268.995  847.503  269.262  607.317  117.751  611.460  117.107 -4.143066 166.0704 
1 1 1   -7   13    6 o  374.321   62.943  305.103   90.817  270.476  126.831  341.539  130.100  351.432   91.562  397.210   86.392 -45.77737 125.8851 
1 1 1   -7   13    7 f  632.049  120.479  910.539  286.314   0.0000   0.0000  910.539  286.314  ?   ?   632.049  120.479      ?      ? 
1 1 1   -7   13    8 o  385.851   90.845  325.577  134.525   0.0000   0.0000  325.577  134.525  ?   ?   385.851   90.845      ?      ? 
1 1 1   -7   13    9 o  778.168   70.973  1356.51  134.717  1375.19  144.808  1236.33  367.306  831.087   44.649  725.249  134.740 105.8375 141.9456 
1 1 1   -7   13   10 o  725.611   70.133  1204.17  123.062  1229.02  132.349  1045.46  334.429  785.981   43.150  665.241  133.465 120.7403 140.2666 
1 1 1   -7   13   11 o  583.527   61.145  827.035   92.396  878.697  101.596  579.904  222.205  665.516   39.119  501.538  115.864 163.9787 122.2896 
1 1 1   -7   13   12 o  579.936   57.793  787.119   90.546  829.705  100.276  599.086  210.708  646.300   39.759  513.573  108.533 132.7271 115.5858 
1 1 1   -7   13   13 f  296.322   47.828  181.808   47.708  180.755   54.221  185.420  100.393  300.588   46.224  292.057   83.747 8.531372 95.65640 
1 1 1   -7   13   14 o  382.115   50.846  354.662   60.633  395.623   69.541  224.802  123.820  445.943   39.960  318.288   93.513 127.6556 101.6929 
1 1 1   -7   13   15 o  992.653   98.352  2535.53  228.357  2611.50  246.278  2069.79  609.784  1134.91   55.607  850.398  188.681 284.5090 196.7044 
1 1 1   -7   13   16 o  606.356  124.387  880.965  284.457   0.0000   0.0000  880.965  284.457  ?   ?   606.356  124.387      ?      ? 
1 1 1   -7   13   17 o  360.519   44.380  204.242   39.440  185.943   41.472  377.372  127.567  306.092   34.719  414.946   81.688 -108.8535 88.76009 
1 1 1   -7   13   18 o  228.319   42.323  129.399   26.659  136.597   27.674   36.688   99.323  263.083   26.956  193.555   80.240 69.52875 84.64691 
1 1 1   -7   13   19 o  153.770   33.601   48.843   19.599   48.843   19.599   0.0000   0.0000  153.770   33.601  ?   ?       ?      ? 
1 1 1   -7   13   20 o  451.740   59.811  477.643   51.859  480.315   53.796  442.541  195.013  492.051   28.016  411.429  116.296 80.62241 119.6228 
1 1 1   -7   13   21 o  405.400   54.114  308.690   40.565  299.925   41.747  456.868  171.651  388.378   27.545  422.422  104.664 -34.04471 108.2278 
1 1 1   -7   13   22 o  584.361   67.822  757.028  154.662   0.0000   0.0000  757.028  154.662  ?   ?   584.361   67.822      ?      ? 
1 1 1   -7   13   23 o  310.510   57.430  216.970   36.072  215.383   36.864  252.744  174.979  327.593   28.836  293.426  111.182 34.16687 114.8607 
1 1 1   -7   13   24 o  285.651   50.227  159.398   30.704  154.275   31.644  241.784  126.902  276.667   29.309  294.634   96.083 -17.96698 100.4541 
1 1 1   -7   13   25 o  225.426   52.293  132.280   56.242  159.430   64.778   49.151  113.351  260.274   64.181  190.578   82.577 69.69586 104.5856 
1 1 1   -7   13   26 o  115.244   36.397   12.337   15.033   13.773   15.285 -30.1003   83.101   90.111   33.114  140.376   64.826 -50.26504 72.79398 
1 1 1   -7   13   27 o  140.756   40.177   27.070   19.070   26.081   19.641   43.321   79.622  113.533   37.839  167.979   70.887 -54.44567 80.35362 
1 1 1   -7   13   28 o  236.770   43.347  125.018   29.867  121.640   31.768  150.733   87.653  241.949   33.646  231.591   79.898 10.35780 86.69342 
1 1 1   -7   13   29 o  150.742   42.212   25.436   19.354   20.602   19.930  105.423   81.075  104.368   37.894  197.115   75.442 -92.74673 84.42406 
1 1 1   -7   13   30 o  272.418   84.741  231.492   99.666   0.0000   0.0000  231.492   99.666  ?   ?   272.418   84.741      ?      ? 
1 1 1   -7   13   31 o  145.240   35.750   52.129   24.162   62.520   25.065 -84.4234   90.866  167.265   39.101  123.215   59.863 44.05023 71.50101 
1 1 1   -7   13   32 o  198.872   42.200  104.932   30.929  109.095   32.591   67.209   98.096  224.988   37.120  172.756   75.799 52.23224 84.40002 
1 1 1   -7   14    1 o  455.605   69.331  456.978  119.647  425.292  167.153  490.271  171.337  438.090   99.978  473.120   96.080 -35.03006 138.6614 
1 1 1   -7   14    2 o  736.276   96.306  1273.41  266.509  1292.72  378.731  1254.47  375.095  742.337  135.739  730.215  136.654 12.12207 192.6121 
1 1 1   -7   14    3 o  432.238   95.730  410.620  157.218   0.0000   0.0000  410.620  157.218  ?   ?   432.238   95.730      ?      ? 
1 1 1   -7   14    4 o  337.370   85.086  246.875  112.002   0.0000   0.0000  246.875  112.002  ?   ?   337.370   85.086      ?      ? 
1 1 1   -7   14    5 o  382.602   90.438  320.020  132.898   0.0000   0.0000  320.020  132.898  ?   ?   382.602   90.438      ?      ? 
1 1 1   -7   14    6 o  195.912   45.631   75.110   40.410   82.909   59.126   68.274   55.358  203.458   65.523  188.367   63.525 15.09137 91.26154 
1 1 1   -7   14    7 o  632.901   85.859  919.235  204.339  900.079  287.932  938.672  290.038  625.375  122.365  640.427  120.474 -15.05273 171.7179 
1 1 1   -7   14    8 o  694.595   92.836  1133.18  242.404  1154.56  345.212  1112.39  340.461  701.529  130.913  687.661  131.666 13.86786 185.6721 
1 1 1   -7   14    9 o  153.967   40.108   37.724   31.331   30.891   40.655   47.717   49.165  142.524   53.689  165.410   59.598 -22.88510 80.21503 
1 1 1   -7   14   10 o  844.555   77.425  1506.10  148.289  1485.51  156.684  1682.92  459.196  861.966   46.580  827.144  147.679 34.82153 154.8508 
1 1 1   -7   14   11 o  885.828   84.299  1669.27  160.378  1642.72  168.379  1928.81  526.513  905.551   47.648  866.106  161.726 39.44458 168.5986 
1 1 1   -7   14   12 o  388.596   50.901  310.686   62.011  304.973   69.828  332.001  134.883  390.406   45.834  386.787   90.900 3.618652 101.8011 
1 1 1   -7   14   13 o  210.047   49.100   88.263   45.810   89.376   57.531   86.333   75.728  208.117   64.325  211.976   74.200 -3.858994 98.20008 
1 1 1   -7   14   14 o  505.066   57.522  616.407   85.163  672.158   96.924  427.595  178.369  580.122   42.813  430.011  106.782 150.1115 115.0450 
1 1 1   -7   14   15 o  698.855  140.001  1222.68  368.506   0.0000   0.0000  1222.68  368.506  ?   ?   698.855  140.001      ?      ? 
1 1 1   -7   14   16 o  184.677   54.833   33.837   60.046 -73.8170  143.022   56.873   66.160  185.869   85.551  183.484   68.613 2.384521 109.6667 
1 1 1   -7   14   17 o  956.170   52.089  1862.55  194.363  1862.55  194.363   0.0000   0.0000  956.170   52.089  ?   ?       ?      ? 
1 1 1   -7   14   18 o  687.216   31.041  938.064   83.247  938.064   83.247   0.0000   0.0000  687.216   31.041  ?   ?       ?      ? 
1 1 1   -7   14   19 f  565.500   29.147  635.463   64.323  635.463   64.323   0.0000   0.0000  565.500   29.147  ?   ?       ?      ? 
1 1 1   -7   14   20 o  104.788   36.823   0.0646   8.8625   0.3297   8.9054 -27.2569   90.412   55.659   23.609  153.918   69.760 -98.25926 73.64642 
1 1 1   -7   14   21 o  251.701   47.475  164.273   30.497  170.050   31.304   56.596  135.154  291.968   27.475  211.433   90.887 80.53545 94.94938 
1 1 1   -7   14   22 o  515.347   28.884  532.985   58.088  532.985   58.088   0.0000   0.0000  515.347   28.884  ?   ?       ?      ? 
1 1 1   -7   14   23 o  194.314   53.404   81.028   55.726  103.386   59.558 -76.1485  157.913  210.852   65.494  177.775   84.372 33.07632 106.8082 
1 1 1   -7   14   24 o  299.194   66.213  228.667   69.066  221.450   73.508  283.033  201.749  309.132   63.070  289.256  116.443 19.87589 132.4262 
1 1 1   -7   14   25 o  324.210   63.921  312.868   76.864  323.594   81.808  232.086  224.506  383.254   54.699  265.165  115.549 118.0889 127.8416 
1 1 1   -7   14   26 o  175.219   48.512   57.972   24.158   60.424   24.327 -117.3360  205.697  167.292   38.114  183.147   89.225 -15.85464 97.02459 
1 1 1   -7   14   27 o  311.660   55.313  231.896   63.727  173.809   76.122  367.983  116.514  257.463   72.618  365.857   83.455 -108.3940 110.6260 
1 1 1   -7   14   28 o  228.266   41.319  155.238   31.548  165.998   33.061   45.726  105.474  283.761   29.856  172.771   77.056 110.9894 82.63820 
1 1 1   -7   14   29 o  201.580   45.607   96.365   30.188   95.248   31.553  108.441  103.761  206.996   40.511  196.163   81.724 10.83319 91.21438 
1 1 1   -7   14   30 f  153.539   40.161   53.517   24.409   58.287   25.026 -39.7232  110.634  161.103   39.993  145.976   69.657 15.12675 80.32113 
1 1 1   -7   14   31 o  172.128   46.455   57.600   25.832   55.504   26.491   98.106  116.459  155.745   42.433  188.511   82.654 -32.76643 92.90973 
1 1 1   -7   15    1 o  349.459   61.168  265.863   83.037  283.617  118.587  248.784  116.311  361.241   85.458  337.677   87.538 23.56354 122.3357 
1 1 1   -7   15    2 o  454.743   69.827  457.922  120.364  460.680  170.529  455.185  169.912  456.186   98.662  453.300   98.838 2.885864 139.6537 
1 1 1   -7   15    3 o  369.101   63.024  298.172   89.762  307.165  127.693  289.387  126.206  374.813   88.685  363.389   89.570 11.42377 126.0471 
1 1 1   -7   15    4 o   91.796   26.454   5.0140   14.657   13.121   23.739   0.0192   18.633  103.723   40.517   79.869   34.023 23.85368 52.90780 
1 1 1   -7   15    5 o  415.449   67.064  381.712  106.338  375.298  150.471  388.110  150.299  411.581   95.525  419.317   94.155 -7.735931 134.1277 
1 1 1   -7   15    6 o  629.434   82.861  896.627  199.147  990.384  289.472  812.378  274.403  668.425  110.974  590.444  123.080 77.98083 165.7228 
1 1 1   -7   15    7 f  362.362   62.895  288.152   88.322  315.248  128.034  263.551  121.998  378.947   88.228  345.778   89.660 33.16931 125.7900 
1 1 1   -7   15    8 o  304.644   58.717  200.723   71.720  225.945  105.529  179.074   97.769  321.663   83.380  287.626   82.694 34.03711 117.4334 
1 1 1   -7   15    9 o  448.029   72.162  453.507  123.291  457.893  177.405  449.409  171.467  449.467  103.307  446.590  100.781 2.876984 144.3233 
1 1 1   -7   15   10 f  239.561   56.544  117.269   61.615  111.013   95.955  121.658   80.374  237.859   83.509  241.263   76.258 -3.403946 113.0886 
1 1 1   -7   15   11 o  438.985   54.596  433.444   77.127  458.308   89.516  361.800  151.952  477.834   48.005  400.135   98.074 77.69861 109.1927 
1 1 1   -7   15   12 o  901.369   86.369  1850.17  180.873  1843.55  192.661  1899.38  525.157  955.866   51.649  846.873  164.836 108.9931 172.7387 
1 1 1   -7   15   13 o  229.249   53.143  100.706   54.000   74.678   68.187  144.490   88.436  198.984   70.345  259.514   79.676 -60.53018 106.2864 
1 1 1   -7   15   14 o  250.410   62.031  128.170   73.224  109.862  126.157  137.471   89.921  247.107   94.219  253.713   80.710 -6.605774 124.0621 
1 1 1   -7   15   15 o  847.127   49.392  1452.46  163.281  1452.46  163.281   0.0000   0.0000  847.127   49.392  ?   ?       ?      ? 
1 1 1   -7   15   16 o  560.437   47.766  636.747  104.467  636.747  104.467   0.0000   0.0000  560.437   47.766  ?   ?       ?      ? 
1 1 1   -7   15   17 o  226.516   53.068  111.297   55.086  128.638   69.151   81.184   91.127  241.914   69.545  211.119   80.178 30.79488 106.1362 
1 1 1   -7   15   18 o  412.418   59.012  452.768   77.407  504.900   87.968  273.921  162.934  497.305   45.328  327.530  108.973 169.7750 118.0247 
1 1 1   -7   15   19 o  527.093   29.078  554.042   59.812  554.042   59.812   0.0000   0.0000  527.093   29.078  ?   ?       ?      ? 
1 1 1   -7   15   20 o  162.271   42.942   43.159   18.208   44.102   18.470   10.656  108.439  145.176   33.309  179.366   79.161 -34.19028 85.88340 
1 1 1   -7   15   21 o  334.779   56.743  294.966   42.472  299.111   43.818  230.603  172.662  385.933   29.094  283.625  109.692 102.3085 113.4851 
1 1 1   -7   15   22 o  154.476   50.091  -4.8096   54.870   2.0284   60.317 -37.6164  132.117  135.698   59.491  173.255   80.605 -37.55708 100.1816 
1 1 1   -7   15   23 o  347.809   59.788  322.679   43.586  324.181   44.700  293.661  196.460  401.016   28.564  294.601  116.113 106.4152 119.5751 
1 1 1   -7   15   24 o  282.282   65.895  226.616   77.021  231.280   82.871  197.031  208.709  308.750   70.349  255.814  111.443 52.93619 131.7899 
1 1 1   -7   15   25 o  414.670  169.280  1251.49  433.268   0.0000   0.0000  1251.49  433.268  ?   ?   414.670  169.280      ?      ? 
1 1 1   -7   15   26 o  291.201  128.700  477.830  287.627   0.0000   0.0000  477.830  287.627  ?   ?   291.201  128.700      ?      ? 
1 1 1   -7   15   27 o  176.501   51.145   55.012   23.014   55.614   23.118 -11.6979  243.439  159.029   37.805  193.973   95.047 -34.94464 102.2895 
1 1 1   -7   15   28 o  248.520   57.226  156.163   37.626  153.975   38.004  264.339  267.243  269.225   36.173  227.814  108.585 41.41124 114.4513 
1 1 1   -7   15   29 o  194.111   59.111   53.823   22.878   51.838   22.957  339.679  275.443  152.465   38.559  235.757  111.756 -83.29137 118.2210 
1 1 1   -7   15   30 o   71.758   31.632  -2.5768   17.264  -2.5768   17.264   0.0000   0.0000   71.758   31.632  ?   ?       ?      ? 
1 1 1   -7   15   31 o  215.549   39.737  104.011   32.193  104.011   32.193   0.0000   0.0000  215.549   39.737  ?   ?       ?      ? 
1 1 1   -7   16    1 o  921.226  101.376  2116.58  330.986  2408.48  427.075  1677.59  523.750  1048.17  104.410  794.286  173.801 253.8793 202.7522 
1 1 1   -7   16    2 o  476.241   62.214  500.894  108.819  544.584  139.779  433.675  173.379  514.291   69.647  438.192  103.110 76.09851 124.4284 
1 1 1   -7   16    3 o  683.538   92.102  1105.39  236.585  1182.46  341.055  1033.91  328.464  709.100  127.958  657.977  132.505 51.12311 184.2031 
1 1 1   -7   16    4 o  393.879   65.922  344.561   99.786  330.515  140.836  358.721  141.402  385.150   94.429  402.608   92.010 -17.45822 131.8433 
1 1 1   -7   16    5 o  327.064   59.759  232.896   77.016  267.375  112.478  202.462  105.674  349.744   83.555  304.383   85.458 45.36118 119.5181 
1 1 1   -7   16    6 o  400.984   67.158  358.805  103.454  375.156  148.754  343.488  143.975  410.045   94.849  391.924   95.102 18.12097 134.3157 
1 1 1   -7   16    7 o  385.612   67.089  333.057  100.254  330.622  143.406  335.385  140.209  383.723   96.004  387.500   93.740 -3.777588 134.1790 
1 1 1   -7   16    8 o  346.997   64.850  269.046   89.229  253.451  129.309  283.221  123.284  336.576   94.546  357.419   88.787 -20.84329 129.6998 
1 1 1   -7   16    9 o  427.856   71.068  414.114  116.515  444.547  170.535  387.470  159.565  442.613  100.966  413.099  100.044 29.51425 142.1367 
1 1 1   -7   16   10 o  841.010  119.967  1906.86  380.137  1895.43  538.322  1918.23  536.870  837.093  170.581  844.928  168.730 -7.835266 239.9334 
1 1 1   -7   16   11 o  141.948   42.781  -2.0733   36.752   34.026   73.381 -14.1599   42.461  173.827   70.138  110.069   49.006 63.75721 85.56197 
1 1 1   -7   16   12 o  843.015  179.029  2024.28  570.775  2024.28  570.775   0.0000   0.0000  843.015  179.029  ?   ?       ?      ? 
1 1 1   -7   16   13 o  792.591   50.198  1272.02  155.264  1272.02  155.264   0.0000   0.0000  792.591   50.198  ?   ?       ?      ? 
1 1 1   -7   16   14 o  431.031   57.896  427.645   83.856  452.999   98.828  362.460  158.461  470.781   53.793  391.281  102.538 79.49963 115.7920 
1 1 1   -7   16   15 o  419.372   59.455  400.101   84.501  408.663   98.791  376.761  163.115  444.561   56.945  394.184  104.387 50.37683 118.9093 
1 1 1   -7   16   16 o  352.597   55.348  299.746   74.755  362.519   94.700  195.951  121.773  416.498   58.264  288.697   94.120 127.8008 110.6950 
1 1 1   -7   16   17 o  325.928   60.108  237.418   71.638  217.004   84.554  289.350  134.862  310.052   71.362  341.805   96.745 -31.75269 120.2166 
1 1 1   -7   16   18 o  211.785   49.545   94.526   55.657  156.849   70.952  -5.1672   89.738  262.303   68.553  161.266   71.550 101.0375 99.09001 
1 1 1   -7   16   19 o  515.436   68.272  739.948  104.957  794.317  118.519  542.341  225.951  614.975   49.385  415.897  127.301 199.0782 136.5448 
1 1 1   -7   16   20 o  363.559   62.499  376.701   89.241  430.156  104.960  237.243  169.532  441.490   60.922  285.629  109.146 155.8609 124.9977 
1 1 1   -7   16   21 o  278.703   48.465  216.444   76.113  345.799   89.648 -117.5597  144.053  396.030   58.007  161.377   77.657 234.6530 96.93030 
1 1 1   -7   16   22 o  239.139   53.485  110.186   28.650  108.322   29.127  165.693  158.958  230.742   32.348  247.535  101.962 -16.79214 106.9699 
1 1 1   -7   16   23 o  327.018   59.100  301.752   43.469  304.679   44.385  233.007  215.120  388.033   29.311  266.003  114.509 122.0301 118.2010 
1 1 1   -7   16   24 o  253.561   58.705  135.351   33.510  133.604   33.895  211.085  223.158  254.768   34.092  252.354  112.351 2.414078 117.4097 
1 1 1   -7   16   25 o  346.004   70.249  383.395   88.398  375.314   93.290  454.447  276.621  401.907   59.481  290.100  127.286 111.8071 140.4979 
1 1 1   -7   16   26 o  215.664   52.778  103.827   30.091  103.887   30.363  100.490  225.371  222.476   34.972  208.853   99.594 13.62238 105.5555 
1 1 1   -7   16   27 o  254.870  117.428  416.252  270.374   0.0000   0.0000  416.252  270.374  ?   ?   254.870  117.428      ?      ? 
1 1 1   -7   16   28 f  228.938   52.349  134.760   32.054  135.095   32.304  113.395  257.923  253.898   32.604  203.978   99.492 49.92058 104.6976 
1 1 1   -7   16   29 o  112.076   38.378   26.100   20.209   26.100   20.209   0.0000   0.0000  112.076   38.378  ?   ?       ?      ? 
1 1 1   -7   16   30 o  178.160   46.271   75.722   27.437   78.064   27.698 -46.5332  200.083  186.506   39.297  169.814   83.785 16.69171 92.54290 
1 1 1   -7   17    1 o  799.222   88.754  1550.67  252.456  1789.53  327.771  1202.31  395.837  911.557   92.142  686.888  151.721 224.6690 177.5086 
1 1 1   -7   17    2 o  156.835   41.234   39.833   33.756   44.565   46.721   34.665   48.824  160.350   58.049  153.319   58.577 7.030853 82.46772 
1 1 1   -7   17    3 o  106.656   31.240   1.2061   22.702 -23.7729   33.760   21.827   30.673   90.808   41.711  122.504   46.518 -31.69588 62.48007 
1 1 1   -7   17    4 o  445.854   70.670  448.087  119.965  491.659  173.542  408.210  166.021  468.082   98.142  423.625  101.711 44.45682 141.3401 
1 1 1   -7   17    5 o  819.310  108.319  1693.21  338.525  1915.45  499.030  1503.76  460.752  881.156  145.125  757.466  160.843 123.6898 216.6373 
1 1 1   -7   17    6 o  861.292  119.530  1973.00  386.622  2242.90  571.746  1745.61  524.797  922.536  164.864  800.048  173.118 122.4878 239.0606 
1 1 1   -7   17    7 o  825.829  116.100  1806.82  360.854  1902.46  519.835  1717.88  501.317  849.475  162.738  802.183  165.630 47.29242 232.2003 
1 1 1   -7   17    8 o  616.092   87.481  903.762  202.849  996.063  295.748  821.767  278.749  648.696  121.288  583.489  126.098 65.20691 174.9613 
1 1 1   -7   17    9 o  156.432   64.536   19.997   63.802   19.997   63.802   0.0000   0.0000  156.432   64.536  ?   ?       ?      ? 
1 1 1   -7   17   10 o  253.950   86.090  135.026  101.677  135.026  101.677   0.0000   0.0000  253.950   86.090  ?   ?       ?      ? 
1 1 1   -7   17   11 o  275.954   62.341  159.900   73.943  204.623  121.748  133.762   93.075  301.321   93.647  250.587   82.315 50.73357 124.6817 
1 1 1   -7   17   12 o  603.386   58.581  750.516  137.937  750.516  137.937   0.0000   0.0000  603.386   58.581  ?   ?       ?      ? 
1 1 1   -7   17   13 f  359.735   58.171  298.596   81.526  349.812  107.131  228.125  125.666  406.912   67.466  312.557   94.783 94.35498 116.3422 
1 1 1   -7   17   14 f  304.895   45.723  171.927   62.301  406.315   99.308   19.811   80.003  441.659   57.619  168.131   71.009 273.5284 91.44553 
1 1 1   -7   17   15 o  445.227   61.876  485.846   94.616  524.988  112.922  393.620  173.336  499.938   57.880  390.515  109.382 109.4233 123.7523 
1 1 1   -7   17   16 o  450.601   61.032  533.590   93.623  619.926  112.696  341.288  168.192  544.247   53.062  356.955  109.927 187.2924 122.0636 
1 1 1   -7   17   17 o  228.439   57.406  117.493   65.688  145.676   89.152   84.022   97.157  248.153   80.515  208.726   81.849 39.42770 114.8123 
1 1 1   -7   17   18 o  454.496   63.641  456.918  112.875  456.918  112.875   0.0000   0.0000  454.496   63.641  ?   ?       ?      ? 
1 1 1   -7   17   19 o  356.367   64.426  348.584   89.976  375.053  106.953  284.487  166.434  405.935   67.515  306.798  109.748 99.13727 128.8522 
1 1 1   -7   17   20 o  292.589   56.679  243.590   78.786  333.022   97.224   72.533  134.461  376.539   68.697  208.638   90.170 167.9014 113.3575 
1 1 1   -7   17   21 o  176.055   55.251   18.805   76.491   47.994   98.189 -26.2524  121.994  183.128   78.058  168.982   78.215 14.14581 110.5020 
1 1 1   -7   17   22 o  169.947   50.037   37.269   18.060   37.005   18.174   58.063  161.322  131.885   34.805  208.010   93.827 -76.12450 100.0747 
1 1 1   -7   17   23 o  289.384   58.620  208.821   36.310  207.981   36.819  238.647  219.312  319.880   29.495  258.889  113.470 60.99081 117.2408 
1 1 1   -7   17   24 o  203.273   97.329   25.507  219.954   0.0000   0.0000   25.507  219.954  ?   ?   203.273   97.329      ?      ? 
1 1 1   -7   17   25 o  338.018  159.310  1747.43  544.940   0.0000   0.0000  1747.43  544.940  ?   ?   338.018  159.310      ?      ? 
1 1 1   -7   17   26 o  164.647   47.217   48.970   20.949   49.870   21.067 -30.9799  198.514  150.597   36.278  178.697   87.188 -28.10036 94.43407 
1 1 1   -7   17   27 o  192.676   51.802   72.230   23.796   71.646   23.937  121.517  219.828  181.586   35.049  203.766   97.496 -22.18033 103.6044 
1 1 1   -7   17   28 o  226.890   31.175  107.467   27.603  107.467   27.603   0.0000   0.0000  226.890   31.175  ?   ?       ?      ? 
1 1 1   -7   17   29 o  250.399   49.805  185.440   35.551  186.682   36.220  152.732  185.846  298.434   31.100  202.364   94.630 96.07065 99.60955 
1 1 1   -7   18    1 o  175.332   44.586   47.877   38.181   28.589   47.613   82.625   63.905  146.909   57.383  203.754   68.255 -56.84444 89.17153 
1 1 1   -7   18    2 o  284.873   54.645  178.492   63.915  222.607   87.503  128.033   93.583  321.528   71.579  248.219   82.587 73.30896 109.2892 
1 1 1   -7   18    3 o  240.768   50.785  123.731   51.755  140.316   70.518  104.369   76.195  255.747   69.045  225.790   74.492 29.95798 101.5693 
1 1 1   -7   18    4 f  153.627   59.616   32.850   51.132   32.850   51.132   0.0000   0.0000  153.627   59.616  ?   ?       ?      ? 
1 1 1   -7   18    5 o  128.635   53.906   7.9948   45.526   7.9948   45.526   0.0000   0.0000  128.635   53.906  ?   ?       ?      ? 
1 1 1   -7   18    6 o  310.443   89.013  215.369  113.419  215.369  113.419   0.0000   0.0000  310.443   89.013  ?   ?       ?      ? 
1 1 1   -7   18    7 f  163.035   65.283   31.575   63.048   31.575   63.048   0.0000   0.0000  163.035   65.283  ?   ?       ?      ? 
1 1 1   -7   18    8 o  395.078   67.730  352.400  103.349  429.143  156.170  292.603  137.854  433.908   94.874  356.247   96.687 77.66141 135.4602 
1 1 1   -7   18    9 o  738.939  159.305  1515.43  445.853  1515.43  445.853   0.0000   0.0000  738.939  159.305  ?   ?       ?      ? 
1 1 1   -7   18   10 o  220.784   57.554   93.609   64.649   72.471  108.174  105.353   80.634  216.230   85.862  225.338   76.664 -9.108032 115.1073 
1 1 1   -7   18   11 o  205.207   56.176   63.044   56.765  102.860  114.656   50.115   65.334  234.181   89.695  176.232   67.658 57.94905 112.3511 
1 1 1   -7   18   12 o  645.928   62.092  878.982  156.515  878.982  156.515   0.0000   0.0000  645.928   62.092  ?   ?       ?      ? 
1 1 1   -7   18   13 o  932.887   62.066  1847.43  225.950  1847.43  225.950   0.0000   0.0000  932.887   62.066  ?   ?       ?      ? 
1 1 1   -7   18   14 o  134.209   44.276 -47.4295   53.039 -64.6890   95.340 -39.6940   63.827  145.447   67.936  122.972   56.798 22.47472 88.55106 
1 1 1   -7   18   15 o  168.971   51.412   17.395   59.995   32.550   95.575   7.5408   77.072  181.650   77.210  156.292   67.906 25.35771 102.8234 
1 1 1   -7   18   16 o  442.140   65.186  524.175  107.999  627.188  138.016  361.474  173.452  530.781   66.632  353.499  112.057 177.2823 130.3711 
1 1 1   -7   18   17 o  245.641   55.832  106.464   71.972  283.491  112.992 -14.3972   93.362  334.133   86.115  157.149   71.087 176.9834 111.6647 
1 1 1   -7   18   18 o  245.656   86.567  154.288  103.179  154.288  103.179   0.0000   0.0000  245.656   86.567  ?   ?       ?      ? 
1 1 1   -7   18   19 o  123.996   42.444 -110.7581   63.521 -145.3720   92.717 -80.1399   87.202  118.724   58.272  129.267   61.727 -10.54257 84.88785 
1 1 1   -7   18   20 o  210.205   58.138   97.098   75.907  152.162   94.040  -5.8603  128.590  242.358   82.790  178.052   81.645 64.30542 116.2761 
1 1 1   -7   18   21 o  259.379   69.668  188.325   89.823  174.314  103.654  230.569  179.982  252.694   86.902  266.063  108.915 -13.36940 139.3360 
1 1 1   -7   18   22 o  208.369   48.017  101.515   27.611  104.333   27.933 -18.3279  182.151  225.716   31.713  191.022   90.646 34.69400 96.03304 
1 1 1   -7   18   23 o  143.585   50.602   9.1196   13.212   8.7032   13.245   90.413  185.052   78.342   30.358  208.829   96.543 -130.4867 101.2039 
1 1 1   -7   18   24 o  143.836   45.722   27.707   17.223   28.670   17.290 -95.5493  195.643  115.814   35.166  171.858   84.411 -56.04400 91.44375 
1 1 1   -7   18   25 o  298.314   60.658  321.108   80.654  332.667   85.777  232.910  236.937  371.170   59.220  225.458  105.880 145.7124 121.3157 
1 1 1   -7   18   26 o  213.174   32.435   95.167   26.982   95.167   26.982   0.0000   0.0000  213.174   32.435  ?   ?       ?      ? 
1 1 1   -7   18   27 o  285.080   30.321  169.068   33.732  169.068   33.732   0.0000   0.0000  285.080   30.321  ?   ?       ?      ? 
1 1 1   -7   18   28 o  278.577   54.460  211.561   34.948  208.402   35.575  298.863  187.027  316.919   28.765  240.236  105.053 76.68268 108.9198 
1 1 1   -7   19    1 o  468.599   66.757  514.885  115.429  584.363  147.247  404.124  185.916  527.393   71.545  409.806  112.727 117.5864 133.5145 
1 1 1   -7   19    2 o  176.906   45.178   52.225   42.975   86.758   56.620   5.2968   66.004  204.347   63.921  149.466   63.862 54.88084 90.35623 
1 1 1   -7   19    3 o  292.037   56.740  190.540   67.674  225.114   92.854  151.366   98.837  320.181   75.536  263.893   84.688 56.28754 113.4800 
1 1 1   -7   19    4 o  465.737   83.691  479.519  146.517  479.519  146.517   0.0000   0.0000  465.737   83.691  ?   ?       ?      ? 
1 1 1   -7   19    5 o  439.297  105.085  457.509  177.727  457.509  177.727   0.0000   0.0000  439.297  105.085  ?   ?       ?      ? 
1 1 1   -7   19    6 o  334.211   65.721  258.516   88.789  254.720  128.950  261.939  122.436  331.099   94.905  337.322   90.941 -6.222443 131.4425 
1 1 1   -7   19    7 o  352.794   68.762  291.303   97.197  320.051  146.934  268.936  129.607  366.642   99.951  338.946   94.459 27.69571 137.5234 
1 1 1   -7   19    8 o  365.854   71.500  322.454  104.897  325.953  160.042  319.819  138.890  364.384  106.104  367.324   95.871 -2.940063 143.0005 
1 1 1   -7   19    9 o  457.081  121.218  548.050  219.750  548.050  219.750   0.0000   0.0000  457.081  121.218  ?   ?       ?      ? 
1 1 1   -7   19   10 o  171.817   51.542   24.770   51.684   25.379  110.335   24.599   58.500  191.710   82.256  151.923   62.132 39.78673 103.0844 
1 1 1   -7   19   11 o  222.567   60.762   96.640   74.418   53.911  130.613  117.178   90.553  213.443   90.471  231.691   81.136 -18.24768 121.5238 
1 1 1   -7   19   12 o  175.884   54.375   15.286   52.255   51.642  135.270   8.9088   56.653  212.768   91.179  139.001   59.272 73.76680 108.7506 
1 1 1   -7   19   13 o  407.277   72.561  429.194  115.766  521.511  172.875  354.138  155.877  450.332  100.876  364.222  104.328 86.11014 145.1217 
1 1 1   -7   19   14 o  279.294   67.988  182.475   86.355  286.276  150.129  131.150  105.567  321.860  104.485  236.729   87.019 85.13019 135.9755 
1 1 1   -7   19   15 o  164.693   51.770   2.8470   66.653 -28.8378  106.799   23.062   85.305  161.982   74.324  167.405   72.086 -5.422775 103.5396 
1 1 1   -7   19   16 o  472.552   70.837  646.047  118.039  701.648  140.145  510.309  218.973  558.035   64.355  387.069  126.214 170.9660 141.6739 
1 1 1   -7   19   17 o  250.589   65.896  168.117   86.386  180.451  116.793  153.220  128.361  258.551   91.994  242.626   94.371 15.92537 131.7911 
1 1 1   -7   19   18 o  397.644   81.839  399.302  122.761  399.302  122.761   0.0000   0.0000  397.644   81.839  ?   ?       ?      ? 
1 1 1   -7   19   19 o  259.767   60.990  188.353   82.510  263.137  104.814   66.504  133.792  316.502   83.612  203.031   88.816 113.4714 121.9807 
1 1 1   -7   19   20 o  366.093   68.921  396.503   95.253  396.485  107.940  396.569  202.500  409.527   67.541  322.659  120.160 86.86807 137.8415 
1 1 1   -7   19   21 o  167.062   54.635  -4.7594   82.179   17.443  100.490 -49.5866  142.790  166.196   74.589  167.928   79.852 -1.731827 109.2698 
1 1 1   -7   19   22 o  190.861   65.686 -19.5570  141.460   20.051  271.234 -34.3560  165.794  206.033  100.822  175.690   84.222 30.34229 131.3711 
1 1 1   -7   19   23 o  189.612   48.679   76.381   24.014   77.194   24.189   20.970  199.740  189.714   33.918  189.510   91.258 0.2045898 97.35727 
1 1 1   -7   19   24 o  198.078   31.640   81.795   24.457   81.795   24.457   0.0000   0.0000  198.078   31.640  ?   ?       ?      ? 
1 1 1   -7   19   25 f  208.067   31.641   90.379   25.691   90.379   25.691   0.0000   0.0000  208.067   31.641  ?   ?       ?      ? 
1 1 1   -7   19   26 o  243.386   53.385  146.318   31.945  143.996   32.384  230.215  194.680  262.320   31.635  224.452  101.975 37.86780 106.7696 
1 1 1   -7   19   27 o  192.637   45.026   89.765   25.976   90.882   26.360   52.216  152.873  207.510   32.551  177.765   83.964 29.74530 90.05258 
1 1 1   -7   20    1 o  345.606   58.262  289.530   83.931  391.419  109.049  141.454  131.462  431.074   64.824  260.139   96.828 170.9349 116.5243 
1 1 1   -7   20    2 o  802.448  101.695  1505.36  318.456  1505.36  318.456   0.0000   0.0000  802.448  101.695  ?   ?       ?      ? 
1 1 1   -7   20    3 o  234.847   56.650  117.342   62.143  109.021   84.625  127.082   91.552  227.602   78.507  242.092   81.693 -14.48993 113.3006 
1 1 1   -7   20    4 o  200.343   52.130   75.834   53.809   64.664   76.639   86.694   75.566  192.741   73.449  207.946   73.996 -15.20538 104.2601 
1 1 1   -7   20    5 o  256.528   54.349  134.064   65.740   41.377   89.714  241.550   96.610  186.443   76.675  326.612   77.046 -140.1692 108.6974 
1 1 1   -7   20    6 o  303.166   95.276  220.878  125.625  220.878  125.625   0.0000   0.0000  303.166   95.276  ?   ?       ?      ? 
1 1 1   -7   20    7 o  198.705   53.543   70.225   60.316   6.1933  101.907  104.749   74.830  177.307   77.540  220.104   73.858 -42.79686 107.0864 
1 1 1   -7   20    8 o  423.520   80.616  484.139  138.713  396.372  201.889  562.620  190.911  376.772  121.050  470.268  106.502 -93.49643 161.2317 
1 1 1   -7   20    9 o  265.531   84.664  167.012   98.903   0.0000   0.0000  167.012   98.903  ?   ?   265.531   84.664      ?      ? 
1 1 1   -7   20   10 o  348.086   98.068  311.924  138.910   0.0000   0.0000  311.924  138.910  ?   ?   348.086   98.068      ?      ? 
1 1 1   -7   20   12 o  293.589   74.532  244.283  110.926  187.372  189.710  273.849  136.737  269.070  111.167  318.108   99.307 -49.03702 149.0641 
1 1 1   -7   20   13 o  263.238   70.964  188.503  109.020   53.267  202.437  243.747  129.384  227.537  103.612  298.939   96.996 -71.40193 141.9281 
1 1 1   -7   20   14 o  352.150   73.182  354.556  106.373  343.631  139.181  369.900  164.948  353.063   97.706  351.236  108.977 1.826721 146.3640 
1 1 1   -7   20   15 o  211.428   61.012   89.289   77.119  127.176  127.299   67.322   96.931  229.926   92.517  192.930   79.563 36.99603 122.0234 
1 1 1   -7   20   16 o  202.913   59.237   75.633   77.161  122.970  113.062   34.364  105.567  224.857   88.257  180.970   79.037 43.88687 118.4739 
1 1 1   -7   20   17 f  206.585   60.490   89.261   79.655  107.119   99.484   57.364  132.960  213.184   83.036  199.987   87.985 13.19662 120.9806 
1 1 1   -7   20   18 o  244.487   66.600  168.865   88.801  180.868  105.000  138.714  166.417  256.266   87.482  232.708  100.444 23.55737 133.1998 
1 1 1   -7   20   19 o  221.832   64.232  129.850   87.892  142.431  107.265  104.143  153.328  228.503   86.938  215.162   94.576 13.34100 128.4634 
1 1 1   -7   20   20 o  200.217   67.261   40.757  124.412   20.831  284.739   45.458  138.314  212.037  103.663  188.398   85.733 23.63930 134.5220 
1 1 1   -7   20   21 f  167.673   50.061   39.596   64.115  100.936   77.103 -97.8781  115.428  196.391   73.946  138.956   67.501 57.43484 100.1222 
1 1 1   -7   20   22 o  202.274   70.788  110.576   68.921  110.576   68.921   0.0000   0.0000  202.274   70.788  ?   ?       ?      ? 
1 1 1   -7   20   23 o  424.840   54.240  423.632   89.924  423.632   89.924   0.0000   0.0000  424.840   54.240  ?   ?       ?      ? 
1 1 1   -7   20   24 o  334.572   60.069  347.299   47.131  344.427   48.089  417.223  237.283  407.247   30.259  261.897  116.265 145.3496 120.1377 
1 1 1   -7   20   25 o  189.556   59.552   67.279   62.946   43.667   67.579  221.990  172.981  153.484   65.067  225.629   99.759 -72.14563 119.1035 
1 1 1   -7   20   26 o  202.889   46.924   98.876   27.221   98.690   27.652  104.699  154.743  216.001   32.805  189.777   87.928 26.22406 93.84853 
1 1 1   -7   21    1 o  163.820   46.541   33.619   47.716   64.919   56.601 -43.2747   88.714  180.762   64.071  146.880   67.521 33.88205 93.08165 
1 1 1   -7   21    2 o  246.376   69.612   92.852   87.834  219.976  182.612   54.591  100.184  295.540  113.197  197.211   81.056 98.32994 139.2246 
1 1 1   -7   21    3 o  203.954   62.055   46.907   83.090 -97.2593  193.262   79.598   92.029  201.235   94.852  206.673   80.041 -5.437881 124.1107 
1 1 1   -7   21    4 o  424.223   89.675  422.745  137.329  787.557  300.339  326.309  154.417  495.247  145.679  353.198  104.612 142.0489 179.3490 
1 1 1   -7   21    5 o  245.975   82.887  140.477   94.247   0.0000   0.0000  140.477   94.247  ?   ?   245.975   82.887      ?      ? 
1 1 1   -7   21    7 o  248.590   61.316  147.097   77.187   80.499  119.152  195.254  101.321  215.022   88.389  282.158   85.007 -67.13615 122.6323 
1 1 1   -7   21    8 o  349.154   76.997  348.930  118.186  300.688  181.293  384.585  155.856  320.487  114.553  377.821  102.917 -57.33334 153.9944 
1 1 1   -7   21    9 o  277.764  105.640  209.802  158.340  209.802  158.340   0.0000   0.0000  277.764  105.640  ?   ?       ?      ? 
1 1 1   -7   21   10 o  345.481  123.644  395.851  211.275  395.851  211.275   0.0000   0.0000  345.481  123.644  ?   ?       ?      ? 
1 1 1   -7   21   11 o  234.758   66.219  114.705   79.401  188.596  167.413   93.260   90.190  262.501  105.931  207.016   79.489 55.48471 132.4384 
1 1 1   -7   21   12 o  219.352   65.298   90.417   81.449  132.671  179.741   79.498   91.368  240.607  104.119  198.097   78.832 42.50964 130.5964 
1 1 1   -7   21   13 o  336.405   77.914  378.715  151.107   58.242  239.640  590.240  194.691  230.767  107.761  442.043  112.561 -211.2755 155.8285 
1 1 1   -7   21   14 o  139.913   46.866 -102.3137   74.106 -273.4950  122.066  -2.3959   93.258  120.746   60.509  159.079   71.586 -38.33264 93.73287 
1 1 1   -7   21   15 o  189.164   56.556   58.120   71.754   41.682   97.435   77.598  106.063  179.101   77.082  199.227   82.782 -20.12642 113.1129 
1 1 1   -7   21   16 o  169.291   51.961   31.489   63.089   38.003   81.510   21.755   99.640  167.943   71.341  170.640   75.566 -2.697617 103.9224 
1 1 1   -7   21   17 o  200.134   65.514   45.993  105.522 -28.7486  255.432   61.373  115.872  208.839  101.207  191.429   83.218 17.41025 131.0273 
1 1 1   -7   21   18 o  293.567   86.550  412.420  170.821  381.426  310.075  425.926  204.682  268.390  124.392  318.744  120.376 -50.35480 173.1004 
1 1 1   -7   21   19 o  226.601   65.285  146.163   84.373  113.660  100.445  224.061  155.501  205.084   82.301  248.117  101.365 -43.03241 130.5694 
1 1 1   -7   21   20 o  165.365   70.702   49.784   80.998   49.784   80.998   0.0000   0.0000  165.365   70.702  ?   ?       ?      ? 
1 1 1   -7   21   21 o  100.971   49.039 -74.1043   60.838 -74.1043   60.838   0.0000   0.0000  100.971   49.039  ?   ?       ?      ? 
1 1 1   -7   21   22 f  175.282   52.929   58.523   57.916   35.494   68.064  118.943  110.250  150.375   64.565  200.188   83.889 -49.81277 105.8587 
1 1 1   -7   21   23 o  207.798   51.274  129.358   64.083  190.206   75.654 -25.1849  120.567  261.906   71.854  153.690   73.166 108.2153 102.5487 
1 1 1   -7   21   24 o  137.612   47.551 -55.2189   57.976 -74.5328   63.897   34.743  137.903  102.965   50.065  172.258   80.858 -69.29368 95.10237 
1 1 1   -7   21   25 o  291.514   50.312  291.495   42.608  297.111   43.712  184.507  190.786  377.156   29.699  205.872   96.141 171.2838 100.6238 
1 1 1   -7   22    1 o  331.906   74.453  311.802  111.556  363.572  148.962  245.690  168.337  368.263  100.741  295.548  109.657 72.71463 148.9070 
1 1 1   -7   22    2 o  227.686   89.354  112.871  115.876   0.0000   0.0000  112.871  115.876  ?   ?   227.686   89.354      ?      ? 
1 1 1   -7   22    3 o  215.245   57.229   92.381   72.409  159.363   94.565  -2.5530  112.580  254.836   82.935  175.654   78.883 79.18250 114.4582 
1 1 1   -7   22    4 o  143.739   45.644 -26.7766   54.064 -68.0507   71.938   26.790   81.953  119.958   56.936  167.520   71.357 -47.56171 91.28815 
1 1 1   -7   22    5 o  269.099   62.209  181.966   78.071  245.312  111.966  122.026  108.914  308.715   88.419  229.484   87.533 79.23076 124.4184 
1 1 1   -7   22    6 o  434.473  100.438  509.375  166.885  509.375  166.885   0.0000   0.0000  434.473  100.438  ?   ?       ?      ? 
1 1 1   -7   22    7 o  279.176  100.575  217.940  140.010  217.940  140.010   0.0000   0.0000  279.176  100.575  ?   ?       ?      ? 
1 1 1   -7   22    8 o  175.241   53.234   34.938   64.228 -31.4958  123.797   59.406   75.130  170.437   78.854  180.044   71.536 -9.607361 106.4680 
1 1 1   -7   22    9 o  243.865  102.060  149.359  162.870  149.359  162.870   0.0000   0.0000  243.865  102.060  ?   ?       ?      ? 
1 1 1   -7   22   10 o  212.977   63.481   89.665   84.407   82.338  162.826   92.357   98.705  219.455   96.920  206.500   82.012 12.95444 126.9626 
1 1 1   -7   22   11 o  279.718   72.647  243.009  122.938   27.155  218.188  343.413  148.808  218.760  102.372  340.676  103.104 -121.9160 145.2949 
1 1 1   -7   22   12 o  374.173  149.317  712.102  328.635  712.102  328.635   0.0000   0.0000  374.173  149.317  ?   ?       ?      ? 
1 1 1   -7   22   13 o  193.024   64.408   10.475   79.449   85.779  249.556   1.9818   83.810  232.692  109.080  153.357   68.522 79.33481 128.8166 
1 1 1   -7   22   14 o  218.972   69.594   92.952  103.488   78.625  270.817   95.402  111.987  230.960  109.868  206.984   85.455 23.97495 139.1886 
1 1 1   -7   22   15 o  224.482  107.659   65.788  271.557   65.788  271.557   0.0000   0.0000  224.482  107.659  ?   ?       ?      ? 
1 1 1   -7   22   16 o  234.904   70.691  164.107  136.501 -206.0968  280.871  278.583  156.187  189.101   94.307  280.707  105.333 -91.60614 141.3815 
1 1 1   -7   22   17 o  307.839   81.027  264.693   98.667  264.693   98.667   0.0000   0.0000  307.839   81.027  ?   ?       ?      ? 
1 1 1   -7   22   18 o  284.999   79.737  231.932   92.167  231.932   92.167   0.0000   0.0000  284.999   79.737  ?   ?       ?      ? 
1 1 1   -7   22   19 o  181.801   53.073   80.178   64.626  112.480   77.416   5.9225  117.377  201.236   74.423  162.366   75.685 38.86946 106.1462 
1 1 1   -7   22   20 o  160.998   51.802   18.714   67.347  -9.8840   82.936   74.079  115.397  139.466   64.531  182.529   81.053 -43.06241 103.6041 
1 1 1   -7   22   21 o  217.935   57.796  153.880   70.632  177.608   82.839   90.696  135.179  245.581   77.397  190.288   85.856 55.29366 115.5921 
1 1 1   -7   22   22 o  144.845   49.139 -33.0313   68.896 -43.5481   79.794  -2.2226  136.573  125.493   59.680  164.196   78.083 -38.70289 98.27818 
1 1 1   -7   22   23 o  250.955   60.391  240.983   81.530  268.837   91.638  135.208  178.577  303.218   77.231  198.692   92.864 104.5262 120.7824 
1 1 1   -7   23    1 o  182.720   55.822   42.553   69.062   68.250   77.391 -57.9295  153.037  186.308   73.052  179.132   84.425 7.176453 111.6434 
1 1 1   -7   23    2 o  230.176   60.544  127.241   81.573  193.328  101.675   7.8615  136.655  272.083   85.746  188.268   85.498 83.81578 121.0875 
1 1 1   -7   23    3 o  243.305   62.826  147.703   84.911  223.017  113.735   52.870  127.626  287.392   90.701  199.219   86.957 88.17378 125.6514 
1 1 1   -7   23    4 o  218.343   55.694   74.775   79.288  222.985  105.148 -120.5785  120.718  290.997   86.356  145.690   70.354 145.3064 111.3870 
1 1 1   -7   23    5 o  249.161   64.606  159.834   86.709  229.714  121.386   87.026  123.904  287.473   93.983  210.849   88.674 76.62334 129.2120 
1 1 1   -7   23    6 o  430.908  170.104  1117.51  422.255  1117.51  422.255   0.0000   0.0000  430.908  170.104  ?   ?       ?      ? 
1 1 1   -7   23    7 o  329.366   75.360  331.938  110.832  302.503  154.410  363.219  159.179  313.734  106.092  344.998  107.057 -31.26447 150.7205 
1 1 1   -7   23    8 o  211.866   61.344   93.018   78.199  128.654  129.444   72.539   98.129  228.911   92.877  194.822   80.164 34.08954 122.6878 
1 1 1   -7   23    9 o  298.789   68.820  245.094  104.031   95.617  141.375  421.613  153.631  216.393   92.986  381.185  101.480 -164.7919 137.6391 
1 1 1   -7   23   10 o  289.099   78.993  288.845  129.571  235.263  242.422  310.274  153.307  264.260  117.405  313.938  105.715 -49.67813 157.9863 
1 1 1   -7   23   11 o  225.627   72.102   92.275  101.892  206.711  277.946   74.509  109.517  254.324  117.837  196.929   83.122 57.39511 144.2042 
1 1 1   -7   23   12 o  354.730   98.738  471.749  164.771  1053.18  383.329  339.973  182.490  403.878  161.235  305.583  114.016 98.29553 197.4752 
1 1 1   -7   23   13 o  278.913   84.662  261.898  132.704  584.950  337.762  202.928  144.309  305.833  137.038  251.994   99.454 53.83850 169.3235 
1 1 1   -7   23   14 f  222.875  108.191  103.994  295.166  103.994  295.166   0.0000   0.0000  222.875  108.191  ?   ?       ?      ? 
1 1 1   -7   23   15 o  243.537  116.759  317.029  318.836  317.029  318.836   0.0000   0.0000  243.537  116.759  ?   ?       ?      ? 
1 1 1   -7   23   16 o  170.465   55.043   22.374   81.484 -22.4492  109.588   77.797  121.859  152.442   71.723  188.488   83.515 -36.04668 110.0858 
1 1 1   -7   23   17 f  141.370   67.442 -47.5383  103.573 -47.5383  103.573   0.0000   0.0000  141.370   67.442  ?   ?       ?      ? 
1 1 1   -7   23   18 o  196.893   60.828   94.280   81.284   57.187   96.850  182.666  149.501  171.756   75.339  222.030   95.520 -50.27426 121.6557 
1 1 1   -7   23   19 f  215.679   63.207  146.282   81.135  124.418   95.701  202.157  152.991  203.973   80.835  227.384   97.192 -23.41084 126.4141 
1 1 1   -7   23   20 o  178.848   57.195   62.576   87.925  101.521  110.081  -6.0544  146.132  190.942   82.050  166.755   79.706 24.18738 114.3910 
1 1 1   -7   23   21 o  156.362   53.919 -51.1885   89.254 -89.7855  104.011   56.619  173.831  129.483   63.162  183.240   87.404 -53.75653 107.8371 
1 1 1   -7   23   22 o  161.193   56.527 -106.1029  137.915 -274.9946  210.547   20.824  182.525  147.651   74.677  174.734   84.881 -27.08293 113.0549 
1 1 1   -7   24    1 o  295.593   72.673  281.667  108.918  315.078  126.179  183.991  215.740  337.574   92.871  253.612  111.806 83.96213 145.3469 
1 1 1   -7   24    2 o  224.162   65.438  115.923   85.895  114.419   99.075  120.474  172.357  217.502   83.361  230.822  100.895 -13.31989 130.8770 
1 1 1   -7   24    3 o  269.327   80.225  236.549  142.424  225.557  244.938  242.164  175.061  263.784  117.553  274.871  109.203 -11.08646 160.4496 
1 1 1   -7   24    4 o  236.473   67.830  147.290   99.557  179.299  129.953  101.812  154.900  252.150   95.750  220.796   96.101 31.35426 135.6591 
1 1 1   -7   24    5 o  281.534  105.153  250.099  155.301  250.099  155.301   0.0000   0.0000  281.534  105.153  ?   ?       ?      ? 
1 1 1   -7   24    6 o  191.942   60.239   42.844   90.675   69.822  125.629   13.506  131.008  200.585   86.923  183.299   83.423 17.28578 120.4784 
1 1 1   -7   24    7 o  284.006   73.063  252.249  103.829  225.095  136.425  289.629  160.063  271.855   99.075  296.157  107.409 -24.30148 146.1250 
1 1 1   -7   24    8 o  321.444   76.322  338.552  111.670  315.939  144.620  371.943  175.738  316.911  102.519  325.978  113.094 -9.066254 152.6447 
1 1 1   -7   24    9 o  186.788   81.513   54.552  112.088   54.552  112.088   0.0000   0.0000  186.788   81.513  ?   ?       ?      ? 
1 1 1   -7   24   10 o  193.790   84.479   70.413  120.110   70.413  120.110   0.0000   0.0000  193.790   84.479  ?   ?       ?      ? 
1 1 1   -7   24   11 o  213.030  103.809   38.426  278.923   38.426  278.923   0.0000   0.0000  213.030  103.809  ?   ?       ?      ? 
1 1 1   -7   24   12 o  286.881   84.910  445.460  177.483  333.562  344.583  485.865  207.061  245.023  118.453  328.739  121.687 -83.71625 169.8201 
1 1 1   -7   24   13 o  235.814   71.512  216.863  138.510 -71.7946  287.798  303.880  158.014  193.932   96.512  277.696  105.551 -83.76480 143.0232 
1 1 1   -7   24   14 o  191.143   94.465 -28.1803  258.025 -28.1803  258.025   0.0000   0.0000  191.143   94.465  ?   ?       ?      ? 
1 1 1   -7   24   15 o  232.736   71.072  234.044  134.770   4.7032  301.638  291.245  150.643  196.961   98.147  268.512  102.819 -71.55092 142.1434 
1 1 1   -7   24   16 o  223.225   66.289  166.727   99.881   83.577  133.726  271.645  150.214  188.607   85.218  257.842  101.561 -69.23494 132.5777 
1 1 1   -7   24   17 o  204.770   87.872  132.277  125.945  132.277  125.945   0.0000   0.0000  204.770   87.872  ?   ?       ?      ? 
1 1 1   -7   24   18 o  199.137   63.404  110.902   96.728   79.678  116.137  181.611  174.770  183.026   81.291  215.248   97.324 -32.22267 126.8073 
1 1 1   -7   24   19 f  206.746   67.988   99.884  103.783   29.320  115.704  390.342  234.747  164.762   76.230  248.730  112.598 -83.96878 135.9754 
1 1 1   -7   24   20 o  254.209   73.656  350.938  132.462  381.543  152.955  259.130  264.914  295.804  105.274  212.613  103.044 83.19150 147.3117 
1 1 1   -7   25    1 o  180.197   75.275   59.449   88.368   59.449   88.368   0.0000   0.0000  180.197   75.275  ?   ?       ?      ? 
1 1 1   -7   25    2 o  229.363   88.165  145.122  111.027  145.122  111.027   0.0000   0.0000  229.363   88.165  ?   ?       ?      ? 
1 1 1   -7   25    3 f  216.444   91.014  118.519  130.500  118.519  130.500   0.0000   0.0000  216.444   91.014  ?   ?       ?      ? 
1 1 1   -7   25    4 o  245.818   99.801  191.446  149.570  191.446  149.570   0.0000   0.0000  245.818   99.801  ?   ?       ?      ? 
1 1 1   -7   25    5 o  223.264   95.275  138.490  146.582  138.490  146.582   0.0000   0.0000  223.264   95.275  ?   ?       ?      ? 
1 1 1   -7   25    6 o  218.989   68.747   46.331  117.424 -106.6478  145.917  327.443  197.801  156.531   76.005  281.447  114.577 -124.9161 137.4945 
1 1 1   -7   25    7 o  206.519   65.402   98.795  108.286  105.919  141.950   88.878  167.475  207.320   91.068  205.718   93.895 1.601196 130.8036 
1 1 1   -7   25    8 o  166.806   54.598 -16.8569   86.740 -105.1044  121.248   75.650  124.140  141.797   68.950  191.815   84.674 -50.01781 109.1967 
1 1 1   -7   25    9 o  261.620  101.969  256.338  150.099  256.338  150.099   0.0000   0.0000  261.620  101.969  ?   ?       ?      ? 
1 1 1   -7   25   10 o  178.913   56.475   38.239   86.015 -66.1144  128.504  122.943  115.775  151.527   73.026  206.300   86.169 -54.77251 112.9504 
1 1 1   -7   25   11 o  273.651   75.798  314.791  121.456  221.706  167.241  418.676  176.676  235.666  101.198  311.636  112.873 -75.96941 151.5954 
1 1 1   -7   25   12 o  249.448   73.982  289.603  152.224 -55.4625  284.616  427.859  180.157  189.872   94.730  309.023  113.664 -119.1514 147.9640 
1 1 1   -7   25   13 o  248.369   75.103  306.661  157.313   0.4775  292.885  430.808  186.499  194.729   96.983  302.010  114.700 -107.2814 150.2055 
1 1 1   -7   25   14 o  262.678   78.795  383.162  176.833  -3.8748  309.042  571.567  215.619  195.007   97.508  330.351  123.801 -135.3440 157.5893 
1 1 1   -7   25   15 o  279.697   86.753  574.967  204.167  360.493  328.822  709.526  260.454  229.570  112.054  329.824  132.469 -100.2541 173.5056 
1 1 1   -7   25   16 o  204.297   68.055  142.360  143.981   43.897  262.858  184.566  172.094  192.966   95.362  215.628   97.119 -22.66162 136.1107 
1 1 1   -7   25   17 o  200.703   65.957   27.835  130.240 -226.8360  171.323  376.514  200.465  141.343   70.949  260.062  111.210 -118.7192 131.9142 
1 1 1   -7   25   18 o  420.468   74.783  926.844  169.099  1108.08  207.830  571.854  290.863  586.347   90.828  254.588  118.830 331.7587 149.5669 
1 1 1   -7   26    1 o  179.808   57.347   51.920   80.229   67.215   91.410   0.6201  167.407  178.678   75.707  180.937   86.159 -2.258972 114.6949 
1 1 1   -7   26    2 o  232.326   67.052  187.099   99.538  210.332  116.499  124.280  191.568  253.345   91.672  211.306   97.878 42.03963 134.1041 
1 1 1   -7   26    3 o  176.323   56.895   38.802   86.004   72.165   98.723 -66.2325  175.165  182.266   77.995  170.379   82.855 11.88721 113.7898 
1 1 1   -7   26    4 o  163.345   53.942   2.8088   82.302   30.332   96.337 -71.5543  158.350  163.506   73.231  163.184   79.222 0.3215790 107.8836 
1 1 1   -7   26    5 o  227.415   67.081  170.917   93.855  151.173  111.823  217.979  172.643  219.746   87.286  235.083  101.886 -15.33685 134.1625 
1 1 1   -7   26    6 o  167.201   54.908 -26.3408   78.500 -100.2145   94.335  139.988  141.551  123.503   60.224  210.898   91.830 -87.39596 109.8165 
1 1 1   -7   26    7 o  189.037   60.596   75.341   92.649   60.101  114.268  104.585  158.289  178.722   79.921  199.353   91.104 -20.63152 121.1911 
1 1 1   -7   26    8 o  199.726   63.246  112.233  101.034  110.882  132.940  114.080  155.454  198.614   87.653  200.837   91.199 -2.222824 126.4924 
1 1 1   -7   26    9 o  309.363   79.965  386.984  136.911  166.710  173.069  755.372  223.816  214.558   96.945  404.168  127.197 -189.6103 159.9290 
1 1 1   -7   26   10 o  177.462   83.550   31.695  149.158   31.695  149.158   0.0000   0.0000  177.462   83.550  ?   ?       ?      ? 
1 1 1   -7   26   11 o  185.349   62.624   43.835  124.518 -106.1568  272.401   83.454  140.000  181.718   90.964  188.981   86.098 -7.263657 125.2487 
1 1 1   -7   26   12 o  205.429  101.127  128.582  285.959  128.582  285.959   0.0000   0.0000  205.429  101.127  ?   ?       ?      ? 
1 1 1   -7   26   13 o  264.533   80.047  427.532  189.639 -35.1733  335.217  645.313  229.977  192.107   96.799  336.959  127.515 -144.8520 160.0937 
1 1 1   -7   26   14 o  234.742  103.578  267.904  185.551   0.0000   0.0000  267.904  185.551  ?   ?   234.742  103.578      ?      ? 
1 1 1   -7   26   15 f  220.779   72.749  244.436  161.871   66.397  241.755  389.119  217.935  189.773   93.335  251.784  111.616 -62.01064 145.4980 
1 1 1   -7   27    1 o  216.955   62.290  159.730   89.434  199.255  106.276   63.822  165.551  245.562   87.714  188.347   88.469 57.21498 124.5809 
1 1 1   -7   27    2 o  229.136   66.614  190.162   93.973  186.908  111.874  197.958  173.189  235.090   88.944  223.182   99.191 11.90843 133.2286 
1 1 1   -7   27    3 o  318.417   81.104  474.561  132.033  458.347  157.628  512.684  241.709  348.959  106.229  287.875  122.583 61.08350 162.2075 
1 1 1   -7   27    4 o  264.078   70.602  301.938  115.260  360.671  138.220  167.870  208.831  315.671  100.027  212.485   99.664 103.1856 141.2034 
1 1 1   -7   27    5 o  203.641   63.441  126.115   94.242  121.124  112.119  138.128  173.961  201.119   84.454  206.164   94.692 -5.045181 126.8825 
1 1 1   -7   27    6 o  183.095   60.708   48.107  110.475  -3.0039  159.184   95.599  153.446  172.279   82.571  193.911   89.016 -21.63170 121.4158 
1 1 1   -7   27    7 o  282.644  118.858  461.620  222.591   0.0000   0.0000  461.620  222.591  ?   ?   282.644  118.858      ?      ? 
1 1 1   -7   27    8 o  209.018   94.786  153.602  167.196   0.0000   0.0000  153.602  167.196  ?   ?   209.018   94.786      ?      ? 
1 1 1   -7   27    9 o  289.053  121.827  520.290  234.697   0.0000   0.0000  520.290  234.697  ?   ?   289.053  121.827      ?      ? 
1 1 1   -7   27   10 o  185.475   60.562   65.141  106.647 -34.9210  157.304  150.255  145.079  163.699   79.354  207.251   91.511 -43.55278 121.1248 
1 1 1   -7   27   11 o  186.259   60.937   83.650  104.517  100.180  150.074   68.081  145.645  190.705   87.725  181.812   84.602 8.892899 121.8730 
1 1 1   -7   27   12 o  147.555   50.788 -66.5549   94.028 -98.1310  138.126 -39.2845  128.363  144.120   70.816  150.989   72.822 -6.868576 101.5769 
1 1 1   -7   27   13 o  274.412   80.329  427.869  150.833  217.869  202.404  690.136  226.193  211.036   98.708  337.788  126.758 -126.7527 160.6577 
1 1 1   -7   28    1 o  172.020   57.548   21.338  102.348  -1.7742  157.113   38.376  134.896  170.307   81.733  173.733   81.035 -3.425797 115.0952 
1 1 1   -7   28    2 o  217.157   69.345  168.816  121.312  315.424  197.038   79.316  153.950  246.830  107.885  187.484   87.154 59.34541 138.6901 
1 1 1   -7   28    3 o  192.981   63.331   98.982  115.489   51.898  186.274  128.382  147.193  185.622   89.060  200.339   90.064 -14.71643 126.6621 
1 1 1   -7   28    4 o  239.997   76.103  284.175  143.531  454.435  231.829  178.345  182.775  268.267  117.145  211.727   97.179 56.53946 152.2057 
1 1 1   -7   28    5 f  251.122   70.506  280.760  113.736  343.725  144.093  176.693  185.246  291.923  102.343  210.321   97.008 81.60237 141.0129 
1 1 1   -7   28    6 f  208.584   65.068  160.702  104.058  172.571  135.584  143.691  162.318  214.812   91.649  202.356   92.391 12.45576 130.1365 
1 1 1   -7   28    7 o  225.989   69.344  216.001  112.109  159.073  147.131  294.809  173.110  206.910   91.717  245.068  104.030 -38.15881 138.6879 
1 1 1   -7   28    8 o  180.268   59.248   68.775  101.181   23.520  142.295  115.059  143.903  168.431   79.982  192.105   87.431 -23.67314 118.4957 
1 1 1   -7   28    9 o  211.370   67.305  187.098  115.772  131.281  153.613  260.488  176.143  194.903   89.322  227.836  100.704 -32.93292 134.6095 
1 1 1   -6    0    1 o  1553.37   35.329  4761.16  302.159  4761.16  302.159  4761.16  302.159  1553.37   49.963  1553.37   49.963 0.000000 0.000000 
1 1 1   -6    0    2 o  365.357   16.777  264.219   33.502  264.219   33.502  264.219   33.502  365.357   23.727  365.357   23.727 0.000000 0.000000 
1 1 1   -6    0    3 o  1735.22   55.780  6036.16  531.656  6036.16  531.656  6036.16  531.656  1735.22   78.885  1735.22   78.885 0.000000 0.000000 
1 1 1   -6    0    4 o  726.598   30.057  1047.28  119.583  1047.28  119.583  1047.28  119.583  726.598   42.507  726.598   42.507 0.000000 0.000000 
1 1 1   -6    0    5 o  1473.34   33.909  4286.14  275.055  4286.14  275.055  4286.14  275.055  1473.34   47.954  1473.34   47.954 0.000000 0.000000 
1 1 1   -6    0    6 o  726.817   21.071  1039.69   84.196  1039.69   84.196  1039.69   84.196  726.817   29.799  726.817   29.799 0.000000 0.000000 
1 1 1   -6    0    7 o  1024.00   25.825  2066.31  145.522  2066.31  145.522  2066.31  145.522  1024.00   36.522  1024.00   36.522 -0.000000 0.000000 
1 1 1   -6    0    8 o  728.159   21.179  1044.63   84.784  1044.63   84.784  1044.63   84.784  728.159   29.952  728.159   29.952 -0.000000 0.000000 
1 1 1   -6    0    9 o  1261.27   43.208  3197.45  299.154  3197.45  299.154  3197.45  299.154  1261.27   61.106  1261.27   61.106 0.000000 0.000000 
1 1 1   -6    0   10 o  516.789   18.439  527.750   52.284  527.750   52.284  527.750   52.284  516.789   26.077  516.789   26.077 0.000000 0.000000 
1 1 1   -6    0   11 o  158.928   18.933   53.549   15.190   53.549   15.190   53.549   15.190  158.928   26.775  158.928   26.775 0.000000 0.000000 
1 1 1   -6    0   12 o  510.237   18.388  515.031   51.471  515.031   51.471  515.031   51.471  510.237   26.004  510.237   26.004 -0.000000 0.000000 
1 1 1   -6    0   13 o  722.201   21.140  1030.43   83.931  1030.43   83.931  1030.43   83.931  722.201   29.897  722.201   29.897 -0.000000 0.000000 
1 1 1   -6    0   14 o  1030.26   26.038  2098.79  147.620  2098.79  147.620  2098.79  147.620  1030.26   36.824  1030.26   36.824 -0.000000 0.000000 
1 1 1   -6    0   15 o  383.311   17.291  291.212   36.237  291.212   36.237  291.212   36.237  383.311   24.454  383.311   24.454 -0.000000 0.000000 
1 1 1   -6    0   16 o  319.531   25.059  207.780   42.800  207.780   42.800  207.780   42.800  319.531   35.439  319.531   35.439 0.000000 0.000000 
1 1 1   -6    0   17 o  796.477   22.230  1249.83   97.368  1249.83   97.368  1249.83   97.368  796.477   31.438  796.477   31.438 -0.000000 0.000000 
1 1 1   -6    0   18 o  809.336   22.430  1290.34   99.834  1290.34   99.834  1290.34   99.834  809.336   31.720  809.336   31.720 0.000000 0.000000 
1 1 1   -6    0   19 o  686.397   20.693  928.256   78.063  928.256   78.063  928.256   78.063  686.397   29.264  686.397   29.264 0.000000 0.000000 
1 1 1   -6    0   20 o  288.834   27.556  172.653   41.675  172.653   41.675  172.653   41.675  288.834   38.970  288.834   38.970 0.000000 0.000000 
1 1 1   -6    0   21 o  1438.29   48.031  4170.09  379.319  4170.09  379.319  4170.09  379.319  1438.29   67.926  1438.29   67.926 0.000000 0.000000 
1 1 1   -6    0   22 o  185.914   19.951   72.228   19.073   72.228   19.073   72.228   19.073  185.914   28.215  185.914   28.215 -0.000000 0.000000 
1 1 1   -6    0   23 o  581.279   19.571  666.989   62.459  666.989   62.459  666.989   62.459  581.279   27.678  581.279   27.678 -0.000000 0.000000 
1 1 1   -6    0   24 o  129.792   27.505   40.874   17.164   40.874   17.164   40.874   17.164  129.792   38.898  129.792   38.898 0.000000 0.000000 
1 1 1   -6    0   25 o  412.856   18.601  338.493   41.988  338.493   41.988  338.493   41.988  412.856   26.306  412.856   26.306 0.000000 0.000000 
1 1 1   -6    0   26 o  478.021   19.034  453.345   49.848  453.345   49.848  453.345   49.848  478.021   26.917  478.021   26.917 0.000000 0.000000 
1 1 1   -6    0   27 o  299.954   18.850  181.199   30.638  181.199   30.638  181.199   30.638  299.954   26.658  299.954   26.658 0.000000 0.000000 
1 1 1   -6    0   28 o  227.292   43.022  124.445   46.633  124.445   46.633  124.445   46.633  227.292   60.842  227.292   60.842 -0.000000 0.000000 
1 1 1   -6    0   29 o  431.234   19.403  372.156   45.748  372.156   45.748  372.156   45.748  431.234   27.440  431.234   27.440 0.000000 0.000000 
1 1 1   -6    0   30 o  510.661   19.971  521.569   55.888  521.569   55.888  521.569   55.888  510.661   28.243  510.661   28.243 0.000000 0.000000 
1 1 1   -6    0   31 o  241.787   24.007  123.181   30.221  123.181   30.221  123.181   30.221  241.787   33.951  241.787   33.951 0.000000 0.000000 
1 1 1   -6    0   33 o  411.135   20.586  342.969   46.172  342.969   46.172  342.969   46.172  411.135   29.114  411.135   29.114 0.000000 0.000000 
1 1 1   -6    0   34 f  244.279   24.011  127.049   30.582  127.049   30.582  127.049   30.582  244.279   33.957  244.279   33.957 -0.000000 0.000000 
1 1 1   -6    0   35 o   49.829   23.411  -3.7496   17.177  -3.7496   17.177  -3.7496   17.177   49.829   33.108   49.829   33.108 0.000000 0.000000 
1 1 1   -6    0   36 o   46.553   22.169  -6.0523   16.357  -6.0523   16.357  -6.0523   16.357   46.553   31.351   46.553   31.351 -0.000000 0.000000 
1 1 1   -6    1    1 o  1057.08   26.229  2200.15  108.198  2207.72  153.483  2192.68  152.550  1058.87   37.144  1055.29   37.043 3.588013 52.45813 
1 1 1   -6    1    2 o  356.086   16.403  248.224   22.785  257.810   32.523  238.984   31.931  362.848   22.969  349.324   23.423 13.52426 32.80586 
1 1 1   -6    1    3 o  1028.42   36.779  2082.92  146.612  1942.27  194.166  2269.50  223.623  989.022   50.308  1067.82   53.664 -78.79749 73.55767 
1 1 1   -6    1    4 o  966.761   24.755  1839.96   93.390  1847.70  132.474  1832.31  131.678  968.774   35.041  964.747   34.976 4.026855 49.50924 
1 1 1   -6    1    5 o  1254.36   29.853  3112.16  146.116  3137.12  208.389  3088.02  204.933  1259.23   42.407  1249.49   42.029 9.740234 59.70543 
1 1 1   -6    1    6 o  711.834   20.766  995.651   57.679  1010.04   82.270  981.741   80.890  716.884   29.408  706.784   29.327 10.09998 41.53194 
1 1 1   -6    1    7 o  938.665   24.327  1737.70   89.096  1761.92  127.479  1714.57  124.573  945.009   34.568  932.321   34.240 12.68835 48.65453 
1 1 1   -6    1    8 o  391.230   24.027  302.113   36.670  312.713   52.643  292.122   51.108  397.903   33.903  384.558   34.056 13.34457 48.05450 
1 1 1   -6    1    9 f  1024.71   37.216  2105.56  148.025  2270.89  223.815  1977.01  197.351  1059.18   54.149  990.244   51.070 68.93384 74.43277 
1 1 1   -6    1   10 o  559.839   18.822  617.908   41.110  635.259   58.962  601.494   57.347  567.481   26.625  552.197   26.613 15.28430 37.64478 
1 1 1   -6    1   11 o  676.162   20.448  904.677   53.935  930.263   77.554  880.711   75.059  685.387   28.996  666.936   28.839 18.45093 40.89578 
1 1 1   -6    1   12 o  729.134   21.222  1054.25   60.381  1067.53   86.027  1041.35   84.771  733.646   30.048  724.622   29.978 9.024597 42.44494 
1 1 1   -6    1   13 o  494.077   18.066  481.443   34.833  482.681   49.253  480.204   49.268  494.720   25.512  493.433   25.586 1.286438 36.13182 
1 1 1   -6    1   14 o  791.332   22.147  1238.42   68.383  1224.58   95.791  1252.82   97.653  786.864   31.196  795.800   31.445 -8.935425 44.29389 
1 1 1   -6    1   15 o  459.424   17.720  414.906   31.764  425.516   45.323  404.664   44.531  465.208   24.965  453.640   25.155 11.56827 35.44036 
1 1 1   -6    1   16 o  218.055   24.779   94.938   20.476   80.566   28.011  111.430   30.006  198.516   37.533  237.593   32.363 -39.07750 49.55890 
1 1 1   -6    1   17 o  525.789   18.510  543.214   37.978  547.407   53.774  539.040   53.645  527.823   26.107  523.754   26.246 4.069031 37.01911 
1 1 1   -6    1   18 o  482.446   18.088  457.121   34.053  460.090   48.168  454.156   48.149  484.022   25.501  480.871   25.658 3.150726 36.17508 
1 1 1   -6    1   19 o  908.472   23.979  1628.69   84.992  1605.01  118.749  1653.56  121.699  901.755   33.745  915.189   34.076 -13.43317 47.95704 
1 1 1   -6    1   20 o  679.113   25.507  916.952   63.559  925.795   77.891  899.331  109.952  685.683   29.109  672.544   41.894 13.13873 51.01440 
1 1 1   -6    1   21 o  700.383   29.522  974.593   80.605  933.532  110.976  1020.45  117.271  684.874   41.523  715.892   41.977 -31.01740 59.04406 
1 1 1   -6    1   22 o  542.145   18.958  578.502   40.107  573.280   56.295  583.884   57.154  539.675   26.730  544.615   26.892 -4.939636 37.91676 
1 1 1   -6    1   23 f  357.208   21.153  254.374   28.152  243.093   46.875  260.738   35.209  350.309   34.289  364.108   24.779 -13.79892 42.30576 
1 1 1   -6    1   24 o  275.835   18.690  150.352   20.004  169.764   28.431  131.320   28.151  293.679   24.808  257.991   27.961 35.68808 37.37985 
1 1 1   -6    1   25 o  742.137   21.808  1091.73   63.156  1088.89   88.897  1094.62   89.742  741.203   30.734  743.071   30.948 -1.867615 43.61597 
1 1 1   -6    1   26 o  822.093   23.071  1347.60   74.015  1355.26  104.955  1340.03  104.393  824.418   32.623  819.769   32.632 4.649170 46.14248 
1 1 1   -6    1   27 o  730.638   21.844  1065.38   62.231  1030.35   85.888  1104.11   90.293  718.147   30.647  743.130   31.136 -24.98279 43.68812 
1 1 1   -6    1   28 o  233.421   35.759  119.790   32.049  138.338   42.757   96.005   48.418  259.133   42.282  207.710   57.680 51.42348 71.51752 
1 1 1   -6    1   29 o  653.184   21.226  859.379   54.073  839.654   74.954  880.786   78.085  645.559   29.753  660.809   30.280 -15.25000 42.45131 
1 1 1   -6    1   30 o  335.535   19.666  226.815   25.709  240.162   36.257  213.318   36.461  345.815   26.867  325.255   28.726 20.55997 39.33181 
1 1 1   -6    1   31 o  434.432   20.101  381.336   34.066  384.754   47.705  377.779   48.663  436.641   27.997  432.222   28.851 4.418915 40.20189 
1 1 1   -6    1   32 o  454.796   26.841  432.479   47.619  444.252   68.542  421.495   66.205  460.636   38.130  448.955   37.788 11.68079 53.68282 
1 1 1   -6    1   33 o  541.866   21.452  604.708   45.341  603.035   63.130  606.490   65.160  541.526   29.874  542.207   30.795 -0.6808472 42.90446 
1 1 1   -6    1   34 o  136.880   28.713   41.766   16.474   38.910   23.960   44.326   22.687  132.710   41.593  141.049   39.595 -8.338669 57.42606 
1 1 1   -6    1   35 o  199.769   27.456   87.438   20.950   76.590   29.455   98.545   29.804  184.102   41.936  215.436   35.450 -31.33458 54.91226 
1 1 1   -6    1   36 o  462.318   22.386  448.261   40.240  496.739   57.571  401.955   56.267  488.193   30.219  436.443   33.036 51.74994 44.77272 
1 1 1   -6    2    1 f  1133.92   27.874  2527.07  123.049  2652.95  181.797  2420.64  167.159  1159.67   40.172  1108.18   38.653 51.48718 55.74818 
1 1 1   -6    2    2 o  456.625   17.345  407.242   30.851  442.178   44.991  376.234   42.385  475.071   24.268  438.178   24.788 36.89304 34.68940 
1 1 1   -6    2    3 o  1481.61   49.545  4222.48  274.604  5190.77  476.634  3741.39  335.966  1597.85   76.439  1365.37   63.054 232.4821 99.08975 
1 1 1   -6    2    4 o  411.350   17.002  331.542   27.288  339.701   38.840  323.588   38.347  416.358   23.904  406.343   24.183 10.01471 34.00355 
1 1 1   -6    2    5 o  1307.70   30.980  3379.68  157.801  3520.84  231.887  3257.92  215.358  1332.71   44.587  1282.68   43.024 50.03235 61.96009 
1 1 1   -6    2    6 o  740.046   21.211  1074.75   61.187  1125.58   89.172  1029.52   84.112  756.508   30.205  723.584   29.788 32.92426 42.42251 
1 1 1   -6    2    7 o  615.811   19.479  743.703   46.758  785.298   68.039  706.476   64.366  632.086   27.584  599.537   27.511 32.54926 38.95800 
1 1 1   -6    2    8 o  740.191   30.256  1090.96   87.394  1094.02  124.072  1087.96  123.121  741.182   42.896  739.200   42.682 1.981445 60.51268 
1 1 1   -6    2    9 o  447.365   17.532  393.707   30.608  394.537   43.345  392.881   43.227  447.835   24.802  446.896   24.786 0.9382324 35.06442 
1 1 1   -6    2   10 o  588.234   19.225  682.801   44.118  700.088   63.337  666.508   61.488  595.444   27.257  581.023   27.119 14.42078 38.44981 
1 1 1   -6    2   11 o  449.615   24.887  398.857   43.667   0.0000   0.0000  398.857   43.667  ?   ?   449.615   24.887      ?      ? 
1 1 1   -6    2   12 o  549.911   18.745  597.548   40.226  599.558   56.958  595.547   56.818  550.836   26.497  548.985   26.521 1.851563 37.48965 
1 1 1   -6    2   13 o  705.358   20.873  984.265   57.450  999.469   81.907  969.542   80.604  710.714   29.532  700.001   29.507 10.71313 41.74677 
1 1 1   -6    2   14 f  744.882   21.417  1096.08   62.252  1107.89   88.612  1084.57   87.475  748.834   30.323  740.930   30.253 7.904358 42.83426 
1 1 1   -6    2   15 o  612.237   23.984  751.646   54.546  707.049   90.971  776.679   68.157  596.489   39.081  627.985   27.812 -31.49658 47.96717 
1 1 1   -6    2   16 o  393.064   24.536  304.685   37.589  289.540   51.633  321.762   54.827  382.716   34.572  403.411   34.827 -20.69492 49.07250 
1 1 1   -6    2   17 o  501.359   18.281  493.802   35.767  496.535   50.605  491.075   50.559  502.753   25.793  499.966   25.913 2.787354 36.56217 
1 1 1   -6    2   18 o  592.721   19.356  690.054   44.753  715.201   64.331  666.472   62.298  603.183   27.330  582.259   27.417 20.92468 38.71220 
1 1 1   -6    2   19 o  262.951   17.086  135.833   17.518  140.717   24.599  130.807   24.952  267.791   23.539  258.111   24.773 9.679901 34.17247 
1 1 1   -6    2   20 o  643.353   28.338  814.693   71.147  814.693   71.147   0.0000   0.0000  643.353   28.338  ?   ?       ?      ? 
1 1 1   -6    2   21 o  348.974   21.554  235.822   28.286  256.396   47.580  224.575   35.178  360.092   33.859  337.855   26.682 22.23682 43.10858 
1 1 1   -6    2   22 o  501.152   18.654  494.266   36.474  507.488   51.755  481.220   51.410  507.853   26.115  494.450   26.644 13.40280 37.30767 
1 1 1   -6    2   23 o  378.565   21.874  288.598   30.808  263.812   50.788  303.028   38.752  364.682   35.687  392.448   25.304 -27.76602 43.74748 
1 1 1   -6    2   24 o  592.285   19.803  692.281   45.767  694.949   64.349  689.549   65.105  593.493   27.784  591.078   28.225 2.414429 39.60573 
1 1 1   -6    2   25 o  391.497   18.407  302.737   28.099  310.914   39.342  294.222   40.147  397.006   25.394  385.989   26.653 11.01709 36.81310 
1 1 1   -6    2   26 o  656.898   20.867  857.265   53.480  853.263   74.788  861.453   76.506  655.437   29.239  658.359   29.778 -2.922363 41.73362 
1 1 1   -6    2   27 o  649.348   25.852  852.596   61.857  846.459  106.207  855.746   76.095  643.922   42.266  654.774   29.781 -10.85168 51.70366 
1 1 1   -6    2   28 f  408.437   26.766  339.540   37.157  338.826   43.127  341.597   73.191  412.032   26.822  404.842   46.328 7.190002 53.53207 
1 1 1   -6    2   29 o  131.540   24.044   34.098   13.398   58.182   20.198   15.174   17.904  166.949   32.169   96.131   35.743 70.81763 48.08776 
1 1 1   -6    2   30 o  266.927   20.687  143.418   21.515  134.876   29.488  153.141   31.462  258.460   29.236  275.393   29.275 -16.93283 41.37332 
1 1 1   -6    2   31 o  411.884   20.244  343.605   32.400  381.199   46.016  306.644   45.626  435.013   27.107  388.754   30.075 46.25894 40.48806 
1 1 1   -6    2   32 o  255.077   27.926  140.566   26.536  114.188   38.416  164.636   36.697  227.529   44.860  282.625   33.273 -55.09586 55.85268 
1 1 1   -6    2   33 o  333.015   21.670  229.093   28.109  235.498   38.983  222.157   40.568  338.527   29.508  327.503   31.742 11.02484 43.33932 
1 1 1   -6    2   34 o  277.667   22.831  161.104   24.474  191.447   35.320  133.076   33.945  304.219   29.751  251.115   34.639 53.10371 45.66174 
1 1 1   -6    2   35 o  183.918   28.643   76.539   20.069   63.330   28.896   88.848   27.894  166.181   43.901  201.655   36.803 -35.47340 57.28651 
1 1 1   -6    2   36 o  402.377   21.948  337.804   34.407  313.520   47.352  364.968   50.082  386.809   31.370  417.944   30.706 -31.13458 43.89684 
1 1 1   -6    3    1 f  622.096   25.824  747.146   61.846  855.131   97.717  674.984   79.881  658.598   38.021  585.594   34.956 73.00403 51.64733 
1 1 1   -6    3    2 o  832.588   32.106  1361.62  103.792  1488.02  156.700  1262.83  138.539  866.465   46.343  798.711   44.448 67.75464 64.21291 
1 1 1   -6    3    3 o  896.437   23.611  1578.68   82.513  1636.12  120.064  1527.26  113.586  911.787   33.743  881.087   33.035 30.69934 47.22208 
1 1 1   -6    3    4 o  506.077   18.035  501.755   35.598  522.266   51.336  482.759   49.404  516.029   25.493  496.125   25.518 19.90408 36.06992 
1 1 1   -6    3    5 o  863.323   23.329  1456.88   78.256  1585.55  117.557  1354.49  104.868  897.157   33.578  829.488   32.397 67.66870 46.65828 
1 1 1   -6    3    6 o  695.314   20.557  947.313   55.670  1007.98   81.901  895.212   75.899  715.885   29.317  674.742   28.825 41.14276 41.11386 
1 1 1   -6    3    7 o  383.996   16.809  289.428   25.178  300.132   35.738  278.880   35.477  391.079   23.417  376.914   24.120 14.16516 33.61764 
1 1 1   -6    3    8 o  764.889   30.876  1158.96   91.771  1072.95  123.048  1266.77  137.761  733.415   42.993  796.362   44.329 -62.94781 61.75265 
1 1 1   -6    3    9 o  664.347   20.226  870.886   52.418  895.459   75.352  847.844   72.966  673.402   28.674  655.292   28.534 18.11029 40.45190 
1 1 1   -6    3   10 o  686.614   20.587  931.995   55.125  966.357   79.738  900.537   76.294  698.678   29.245  674.551   28.983 24.12695 41.17421 
1 1 1   -6    3   11 o  541.434   18.667  579.182   39.437  589.972   56.215  568.725   55.339  546.407   26.364  536.460   26.434 9.947327 37.33345 
1 1 1   -6    3   12 o  934.193   24.560  1736.43   89.455  1799.12  129.968  1679.99  123.311  950.009   35.057  918.376   34.407 31.63348 49.12099 
1 1 1   -6    3   13 o  389.028   17.049  297.920   25.883  296.003   36.497  299.860   36.713  387.768   24.118  390.288   24.105 -2.520172 34.09878 
1 1 1   -6    3   14 o  262.055   16.449  134.957   16.821  135.537   23.747  134.373   23.829  262.628   23.170  261.483   23.353 1.144867 32.89701 
1 1 1   -6    3   15 o  509.923   26.177  514.445   52.006  556.953   75.309  475.692   71.905  530.151   36.401  489.695   37.627 40.45636 52.35310 
1 1 1   -6    3   16 o  576.157   23.744  662.407   50.323  676.926   62.021  634.431   86.094  586.698   27.089  565.616   39.005 21.08252 47.48872 
1 1 1   -6    3   17 o  647.286   20.076  824.180   50.712  827.498   71.813  820.879   71.621  648.589   28.373  645.982   28.411 2.606445 40.15240 
1 1 1   -6    3   18 o  470.601   17.973  434.196   32.960  468.170   47.589  402.873   45.695  488.317   24.973  452.885   25.855 35.43228 35.94634 
1 1 1   -6    3   19 o  687.476   20.674  929.513   55.436  906.271   76.867  954.702   80.024  678.572   29.028  696.380   29.447 -17.80780 41.34889 
1 1 1   -6    3   20 o  314.592   20.386  194.819   24.024  194.648   30.033  195.123   40.030  314.804   24.447  314.380   32.628 0.4237671 40.77109 
1 1 1   -6    3   21 f  825.157   32.497  1345.13  104.643   0.0000   0.0000  1345.13  104.643  ?   ?   825.157   32.497      ?      ? 
1 1 1   -6    3   22 o  580.213   19.554  663.142   44.266  663.560   62.035  662.709   63.186  580.451   27.387  579.974   27.918 0.4774780 39.10773 
1 1 1   -6    3   23 o  827.999   28.230  1372.06   86.604  1345.61  146.793  1386.18  107.260  819.084   45.925  836.914   32.842 -17.82965 56.45926 
1 1 1   -6    3   24 o  420.500   21.716  355.601   34.108  371.608   43.043  328.592   55.914  434.341   25.395  406.658   35.234 27.68347 43.43158 
1 1 1   -6    3   25 o  195.903   20.236   76.150   15.423   82.314   21.700   69.859   21.923  204.064   27.250  187.743   29.923 16.32027 40.47189 
1 1 1   -6    3   26 o  420.820   18.943  351.254   31.067  359.306   43.157  342.592   44.758  426.028   25.958  415.613   27.597 10.41507 37.88681 
1 1 1   -6    3   27 f  275.959   23.267  144.259   24.035  184.378   41.814  124.462   29.373  302.371   35.436  249.548   30.162 52.82312 46.53452 
1 1 1   -6    3   28 o  543.908   27.039  587.101   50.269  568.485   58.101  642.525  100.250  533.034   27.932  554.782   46.305 -21.74847 54.07716 
1 1 1   -6    3   29 o  121.932   24.958   31.055   13.421   15.478   19.866   44.135   18.204   99.109   37.484  144.755   32.963 -45.64587 49.91626 
1 1 1   -6    3   30 o  261.773   20.837  138.553   21.244  140.055   29.254  136.877   30.902  263.583   28.440  259.963   30.461 3.620636 41.67391 
1 1 1   -6    3   31 o  462.152   20.825  433.647   37.421  442.889   51.162  423.014   54.875  468.288   27.996  456.017   30.836 12.27118 41.64914 
1 1 1   -6    3   32 o  430.695   36.612  387.191   61.535   0.0000   0.0000  387.191   61.535  ?   ?   430.695   36.612      ?      ? 
1 1 1   -6    3   33 o  195.281   26.454   82.938   19.542   74.435   29.109   89.915   26.367  182.612   41.756  207.950   32.492 -25.33855 52.90855 
1 1 1   -6    3   34 o  186.620   28.572   77.918   20.098   76.101   30.242   79.354   26.896  183.125   43.045  190.114   37.585 -6.989227 57.14476 
1 1 1   -6    3   35 o  303.130   23.023  193.292   27.013  221.297   38.392  165.837   38.014  326.462   30.136  279.799   34.815 46.66284 46.04608 
1 1 1   -6    3   36 o  268.134   24.499  153.049   25.634  154.229   36.473  151.897   36.035  269.100   34.732  267.167   34.563 1.933563 48.99870 
1 1 1   -6    4    1 o  118.283   25.896   28.835   12.858   14.320   25.564   33.751   14.877  108.053   42.091  128.514   30.179 -20.46080 51.79216 
1 1 1   -6    4    2 o  558.081   24.493  612.541   53.300  640.703   77.171  586.853   73.705  570.322   34.674  545.840   34.602 24.48248 48.98534 
1 1 1   -6    4    3 o  491.974   23.932  471.400   45.619  520.886   69.792  434.484   60.279  514.138   34.785  469.810   32.879 44.32770 47.86453 
1 1 1   -6    4    4 o  584.613   22.124  687.934   49.261  776.353   65.897  575.938   74.165  628.818   26.854  540.407   35.168 88.41119 44.24831 
1 1 1   -6    4    5 o  679.257   23.699  927.943   61.479  1038.76   82.412  788.888   92.318  726.779   29.057  631.735   37.447 95.04449 47.39848 
1 1 1   -6    4    6 o  355.828   16.467  248.234   22.850  261.654   32.774  235.542   31.873  365.203   22.996  346.453   23.575 18.74939 32.93344 
1 1 1   -6    4    7 o  608.769   27.581  735.859   65.521  726.836   92.481  744.953   92.841  604.977   39.172  612.562   38.838 -7.584595 55.16218 
1 1 1   -6    4    8 o  686.575   20.536  929.778   55.001  955.156   79.091  906.013   76.537  695.616   29.136  677.535   28.947 18.08099 41.07118 
1 1 1   -6    4    9 o  380.290   33.685  287.350   49.990  287.350   49.990   0.0000   0.0000  380.290   33.685  ?   ?       ?      ? 
1 1 1   -6    4   10 o  602.467   19.495  716.162   45.779  760.778   66.628  676.266   63.006  620.210   27.529  584.723   27.612 35.48627 38.99034 
1 1 1   -6    4   11 o  675.510   20.462  903.664   53.930  919.518   77.176  888.535   75.392  681.266   29.029  669.754   28.846 11.51178 40.92373 
1 1 1   -6    4   12 o  829.543   22.779  1365.63   73.732  1379.98  105.163  1351.75  103.405  833.784   32.320  825.302   32.107 8.481445 45.55727 
1 1 1   -6    4   13 o  502.139   18.236  495.887   35.706  521.252   51.659  472.684   49.407  514.425   25.733  489.853   25.846 24.57233 36.47192 
1 1 1   -6    4   14 o  184.682   18.003   67.235   12.910   59.101   18.140   75.582   18.377  173.257   26.830  196.107   24.013 -22.84924 36.00652 
1 1 1   -6    4   15 f  687.869   29.417  941.397   78.954  944.297  110.856  938.412  112.477  689.063   41.226  686.674   41.974 2.388123 58.83366 
1 1 1   -6    4   16 o  306.584   16.984  183.845   20.267  166.385   27.828  203.568   29.576  291.101   24.497  322.068   23.532 -30.96655 33.96849 
1 1 1   -6    4   17 o  635.479   19.995  793.937   49.574  815.353   70.917  773.471   69.327  643.865   28.225  627.092   28.330 16.77301 39.98986 
1 1 1   -6    4   18 o  1106.13   27.398  2420.89  118.185  2488.53  171.009  2359.04  163.521  1120.75   39.100  1091.50   38.390 29.25098 54.79609 
1 1 1   -6    4   19 o  537.932   19.060  563.842   39.804  649.242   59.324  493.915   53.681  574.724   26.451  501.141   27.449 73.58276 38.11959 
1 1 1   -6    4   20 o  566.606   37.787  636.523   83.551   0.0000   0.0000  636.523   83.551  ?   ?   566.606   37.787      ?      ? 
1 1 1   -6    4   21 o  512.091   27.574  516.351   55.103   0.0000   0.0000  516.351   55.103  ?   ?   512.091   27.574      ?      ? 
1 1 1   -6    4   22 o  653.454   20.615  840.360   52.478  814.241   71.722  870.456   76.987  642.680   28.597  664.228   29.701 -21.54791 41.23019 
1 1 1   -6    4   23 o  757.052   22.059  1133.16   65.158  1144.79   91.673  1121.28   92.629  761.083   30.866  753.021   31.522 8.061646 44.11700 
1 1 1   -6    4   24 o  615.575   24.232  754.845   55.351  759.912   68.586  745.381   93.731  620.266   28.335  610.884   39.318 9.381836 48.46461 
1 1 1   -6    4   25 o  439.782   19.809  385.266   33.770  416.782   46.551  350.257   49.063  459.328   25.970  420.236   29.918 39.09299 39.61709 
1 1 1   -6    4   26 o  344.650   19.056  234.818   25.541  226.835   34.489  244.512   38.009  338.354   26.120  350.946   27.753 -12.59210 38.11193 
1 1 1   -6    4   27 o  323.993   36.747  230.064   40.798  241.984   49.239  203.956   72.871  345.796   36.488  302.190   63.796 43.60629 73.49370 
1 1 1   -6    4   28 o  398.586   19.572  315.779   30.298  296.305   40.508  340.509   45.647  384.992   26.962  412.179   28.379 -27.18686 39.14475 
1 1 1   -6    4   29 o  482.972   20.059  468.478   37.679  459.692   51.039  479.002   55.858  478.525   27.332  487.418   29.367 -8.892822 40.11759 
1 1 1   -6    4   30 o  267.274   21.261  144.980   22.083  149.662   30.226  139.620   32.342  272.424   28.432  262.123   31.618 10.30136 42.52148 
1 1 1   -6    4   31 o  151.665   27.203   49.726   16.092   48.574   23.809   50.695   21.834  149.718   39.993  153.612   36.887 -3.893753 54.40683 
1 1 1   -6    4   32 o  283.105   26.601  172.293   28.120  150.878   44.955  186.058   36.042  264.932   43.482  301.277   30.656 -36.34570 53.20217 
1 1 1   -6    4   33 o  172.281   27.276   66.602   18.388   47.101   27.296   82.804   24.880  144.930   44.225  199.632   31.937 -54.70265 54.55101 
1 1 1   -6    4   34 o  104.746   24.605   19.255   15.003 -23.0542   26.182   39.942   18.307   74.379   35.014  135.113   34.578 -60.73476 49.20943 
1 1 1   -6    4   35 f  218.428   27.515  107.762   22.206   75.886   32.299  136.333   30.578  180.932   45.725  255.924   30.617 -74.99254 55.02901 
1 1 1   -6    4   36 o  151.352   29.393   54.906   18.263   37.619   30.612   64.460   22.757  131.441   47.062  171.263   35.226 -39.82115 58.78510 
1 1 1   -6    5    1 o  345.142   44.126  256.672   39.750  261.532   42.900  227.177  105.685  364.684   30.145  325.600   82.944 39.08340 88.25201 
1 1 1   -6    5    2 f  541.218   24.098  576.899   50.874  597.854   73.216  557.337   70.742  550.714   34.068  531.721   34.092 18.99268 48.19682 
1 1 1   -6    5    3 o  1001.26   34.471  1984.89  134.042  2141.53  201.977  1861.59  179.190  1035.77   49.970  966.750   47.497 69.01532 68.94176 
1 1 1   -6    5    4 f  230.815   22.929  105.183   20.571  116.795   29.266   93.845   28.920  243.541   30.794  218.090   33.980 25.45094 45.85786 
1 1 1   -6    5    5 o  588.759   35.254  685.262   81.000   0.0000   0.0000  685.262   81.000  ?   ?   588.759   35.254      ?      ? 
1 1 1   -6    5    6 o  656.934   65.448  970.052  106.104  985.023  114.285  876.582  285.569  703.384   41.636  610.484  124.098 92.90002 130.8961 
1 1 1   -6    5    7 o  745.307   25.288  1111.06   70.955  1136.08   89.897  1069.71  115.557  758.298   30.379  732.316   40.436 25.98181 50.57595 
1 1 1   -6    5    8 o  613.267   23.121  762.684   53.903  844.117   71.293  654.014   82.358  653.705   27.947  572.829   36.842 80.87549 46.24285 
1 1 1   -6    5    9 o  386.289   17.133  293.621   25.784  318.601   37.276  270.704   35.703  402.090   23.756  370.488   24.695 31.60159 34.26644 
1 1 1   -6    5   10 o  674.804   20.471  902.142   53.907  909.707   76.464  894.666   76.009  677.629   28.916  671.980   28.985 5.649475 40.94216 
1 1 1   -6    5   11 o  422.735   17.419  352.383   28.735  355.368   40.653  349.402   40.621  424.541   24.538  420.928   24.729 3.613190 34.83762 
1 1 1   -6    5   12 o  446.518   17.691  392.518   30.813  408.609   44.103  377.173   43.068  455.487   24.812  437.548   25.223 17.93964 35.38113 
1 1 1   -6    5   13 o  741.108   21.447  1083.34   61.982  1126.30   89.700  1044.09   85.746  755.116   30.440  727.100   30.220 28.01575 42.89325 
1 1 1   -6    5   14 o  561.299   27.194  622.486   59.384  694.183   87.195  560.463   81.099  591.466   37.777  531.132   39.127 60.33386 54.38799 
1 1 1   -6    5   15 o  803.323   27.829  1252.09   80.175  1210.27   95.359  1352.96  148.091  783.426   31.191  823.219   46.098 -39.79321 55.65874 
1 1 1   -6    5   16 o  506.284   18.552  503.474   36.644  496.696   51.097  510.651   52.580  502.803   26.041  509.765   26.432 -6.961426 37.10489 
1 1 1   -6    5   17 o  1224.52   29.543  2969.77  140.928  3091.39  206.791  2864.30  192.574  1247.52   42.477  1201.52   41.071 46.00293 59.08556 
1 1 1   -6    5   18 o  582.046   19.515  665.567   44.296  700.414   63.601  632.741   61.730  596.876   27.305  567.217   27.888 29.65912 39.02972 
1 1 1   -6    5   19 f  1139.09   34.730  2564.00  143.003  2508.93  171.702  2688.71  258.365  1124.68   39.122  1153.50   57.396 -28.82532 69.46091 
1 1 1   -6    5   20 o  481.088   27.410  455.520   51.459   0.0000   0.0000  455.520   51.459  ?   ?   481.088   27.410      ?      ? 
1 1 1   -6    5   21 o  903.864   29.516  1655.61  101.358  1488.34  157.788  1773.13  132.252  861.849   46.915  945.879   35.829 -84.02985 59.03157 
1 1 1   -6    5   22 o  517.535   19.315  527.652   38.945  568.006   55.572  488.707   54.593  537.124   26.513  497.947   28.095 39.17657 38.62934 
1 1 1   -6    5   23 o  408.143   18.882  328.377   29.721  397.823   43.081  265.305   41.056  449.648   24.552  366.638   28.695 83.00964 37.76493 
1 1 1   -6    5   24 o  517.958   22.906  541.866   44.467  570.638   56.510  495.083   72.058  537.667   26.933  498.250   37.060 39.41617 45.81283 
1 1 1   -6    5   25 f  487.414   19.486  469.268   36.950  456.424   50.046  484.661   54.786  480.319   26.700  494.510   28.390 -14.19116 38.97276 
1 1 1   -6    5   26 o  292.303   23.628  166.780   26.466  194.581   42.622  149.334   33.763  311.224   35.094  273.382   31.648 37.84235 47.25626 
1 1 1   -6    5   27 o  374.290   29.625  250.453   32.794  232.611   35.623  349.596   83.972  341.705   26.715  406.874   52.886 -65.16907 59.25038 
1 1 1   -6    5   28 o  289.554   20.813  170.321   23.238  193.449   32.231  145.284   33.535  311.038   26.554  268.071   32.057 42.96680 41.62647 
1 1 1   -6    5   29 o  632.226   21.528  802.854   52.793  759.925   70.218  858.671   80.068  613.734   29.318  650.719   31.531 -36.98492 43.05513 
1 1 1   -6    5   30 o  683.256   22.631  950.364   60.157  951.495   82.027  949.048   88.491  684.833   30.693  681.679   33.265 3.153625 45.26175 
1 1 1   -6    5   31 o  151.438   27.599   50.054   16.417   45.310   24.647   53.839   22.012  144.509   41.512  158.367   36.382 -13.85820 55.19842 
1 1 1   -6    5   32 o  332.862   27.355  244.030   33.654  188.627   52.278  283.238   43.978  294.226   45.531  371.498   30.335 -77.27228 54.71093 
1 1 1   -6    5   33 o  207.721   24.233   89.701   19.499   98.402   29.848   83.222   25.755  215.912   35.425  199.531   33.076 16.38123 48.46610 
1 1 1   -6    5   34 f  118.481   26.425   30.838   15.543   2.2802   26.650   45.560   19.135   92.604   40.083  144.359   34.446 -51.75439 52.85024 
1 1 1   -6    5   35 o  199.338   25.796   81.696   19.242  110.372   31.555   64.721   24.278  227.707   35.511  170.968   37.427 56.73947 51.59297 
1 1 1   -6    5   36 o  400.620   22.099  332.910   34.205  405.041   51.314  275.235   45.885  440.433   29.856  360.807   32.589 79.62625 44.19715 
1 1 1   -6    6    1 o  217.226   30.248  123.034   21.199  147.218   24.328   46.758   43.206  273.977   22.754  160.475   56.053 113.5011 60.49582 
1 1 1   -6    6    2 o  380.905   47.171  289.428   45.274  285.531   48.337  317.286  129.243  380.465   32.556  381.344   88.547 -0.8789673 94.34226 
1 1 1   -6    6    3 o  504.660   54.397  625.797   70.586  670.750   77.574  409.487  170.167  582.669   34.116  426.651  103.307 156.0174 108.7941 
1 1 1   -6    6    4 f  225.956   38.361  104.521   28.037  105.292   31.048  101.114   65.263  230.729   34.482  221.183   68.535 9.545166 76.72117 
1 1 1   -6    6    5 o  426.280   96.242  408.742  156.310   0.0000   0.0000  408.742  156.310  ?   ?   426.280   96.242      ?      ? 
1 1 1   -6    6    6 o  488.784   22.818  469.449   43.354  523.461   64.662  425.343   58.432  514.133   32.229  463.434   32.310 50.69989 45.63568 
1 1 1   -6    6    7 o  505.746   20.429  513.952   38.905  540.360   49.718  472.240   62.485  523.754   24.325  487.738   32.829 36.01569 40.85883 
1 1 1   -6    6    8 o  770.534   25.837  1206.54   75.974  1316.18  100.675  1061.50  115.793  814.114   31.689  726.954   40.817 87.16034 51.67411 
1 1 1   -6    6    9 o  785.292   26.039  1251.05   77.906  1331.69  101.959  1137.91  120.765  818.515   31.920  752.070   41.148 66.44562 52.07782 
1 1 1   -6    6   10 o  557.441   22.200  628.733   46.642  669.759   59.967  565.906   74.209  582.306   26.389  532.576   35.706 49.73035 44.39940 
1 1 1   -6    6   11 o  604.680   23.056  731.189   52.327  747.677   66.025  703.342   85.807  615.361   27.495  593.998   37.017 21.36298 46.11105 
1 1 1   -6    6   12 o  540.443   18.708  575.349   39.455  572.044   55.497  578.726   56.104  538.887   26.390  541.999   26.525 -3.111572 37.41692 
1 1 1   -6    6   13 o  717.836   42.921  1028.23  120.233   0.0000   0.0000  1028.23  120.233  ?   ?   717.836   42.921      ?      ? 
1 1 1   -6    6   14 o  330.673   21.480  209.075   25.199  200.494   29.678  231.247   47.705  319.536   23.800  341.809   35.764 -22.27332 42.95920 
1 1 1   -6    6   15 o  797.672   22.279  1254.35   69.348  1249.00   97.465  1259.84   98.691  795.983   31.377  799.362   31.638 -3.378784 44.55858 
1 1 1   -6    6   16 o  547.677   19.042  584.533   40.515  663.695   60.386  519.727   54.637  581.158   26.626  514.195   27.229 66.96368 38.08379 
1 1 1   -6    6   17 o  1199.76   29.164  2854.99  136.500  2916.63  196.127  2797.08  190.094  1212.21   41.460  1187.31   41.027 24.89551 58.32792 
1 1 1   -6    6   18 o  319.336   20.615  208.055   24.500  231.178   31.450  172.361   39.075  343.223   23.481  295.448   33.891 47.77457 41.23083 
1 1 1   -6    6   19 o  926.322   51.536  1723.91  186.296   0.0000   0.0000  1723.91  186.296  ?   ?   926.322   51.536      ?      ? 
1 1 1   -6    6   20 o  778.238   22.585  1194.67   68.474  1173.34   93.803  1219.00  100.187  771.030   31.175  785.446   32.686 -14.41541 45.16953 
1 1 1   -6    6   21 f  525.574   23.691  551.397   47.573  520.627   74.109  572.964   62.045  512.174   37.078  538.973   29.499 -26.79858 47.38147 
1 1 1   -6    6   22 o  433.721   24.063  378.105   39.095  351.977   63.801  393.814   49.471  420.551   38.876  446.891   28.367 -26.33972 48.12510 
1 1 1   -6    6   23 o  892.916   24.459  1573.80   84.796  1497.82  113.327  1670.45  127.816  869.084   33.415  916.748   35.728 -47.66345 48.91845 
1 1 1   -6    6   24 o  123.231   21.669   28.286   11.008   50.925   17.314   12.928   14.261  157.998   29.156   88.464   32.064 69.53319 43.33792 
1 1 1   -6    6   25 f  543.448   30.381  587.420   64.430   0.0000   0.0000  587.420   64.430  ?   ?   543.448   30.381      ?      ? 
1 1 1   -6    6   26 o  399.465   20.185  317.767   31.127  317.110   41.123  318.649   47.632  399.582   26.372  399.348   30.564 0.2339783 40.36916 
1 1 1   -6    6   27 o  209.625   39.818  116.112   25.887  124.581   26.877   7.5386   96.236  249.725   27.580  169.524   74.708 80.20145 79.63637 
1 1 1   -6    6   28 o  408.662   20.526  337.958   32.468  356.572   44.054  315.824   48.039  421.979   26.752  395.345   31.138 26.63382 41.05156 
1 1 1   -6    6   29 o  425.809   25.905  375.782   41.915  358.817   66.307  387.072   54.093  415.018   40.941  436.600   31.749 -21.58194 51.80913 
1 1 1   -6    6   31 o  453.050   32.875  421.834   58.123   0.0000   0.0000  421.834   58.123  ?   ?   453.050   32.875      ?      ? 
1 1 1   -6    6   32 f  212.339   24.382   94.180   19.620  111.648   29.323   80.020   26.400  232.133   32.369  192.545   36.471 39.58800 48.76362 
1 1 1   -6    6   33 o  383.810   47.779  473.036   52.047  539.166   58.491  221.548  114.064  511.188   29.321  256.431   90.948 254.7577 95.55732 
1 1 1   -6    6   34 o  120.364   28.328   26.663   14.343   44.283   27.413   20.021   16.831  140.237   44.558  100.490   34.992 39.74654 56.65562 
1 1 1   -6    6   35 f  187.369   28.770   81.978   20.429   61.436   32.663   95.177   26.182  161.489   48.178  213.249   31.461 -51.75961 57.54072 
1 1 1   -6    7    1 o  165.358   56.937   51.306   44.503   0.0000   0.0000   51.306   44.503  ?   ?   165.358   56.937      ?      ? 
1 1 1   -6    7    2 o  252.104   39.949  134.870   31.454  137.648   34.802  122.480   73.498  263.687   33.820  240.522   72.386 23.16556 79.89754 
1 1 1   -6    7    3 o  682.225   65.676  916.751   96.892  894.065  101.434  1153.21  327.478  670.211   38.783  694.239  125.496 -24.02795 131.3516 
1 1 1   -6    7    4 o  279.374   39.295  177.931   31.170  186.220   34.153  136.588   76.270  307.129   28.495  251.620   73.241 55.50952 78.58904 
1 1 1   -6    7    5 o  423.499   50.615  375.150   53.051  372.525   56.656  393.827  151.141  433.127   33.520  413.870   95.520 19.25684 101.2302 
1 1 1   -6    7    6 o  532.252   25.022  563.883   51.942  588.240   74.929  541.351   72.067  543.318   35.340  521.185   35.433 22.13287 50.04437 
1 1 1   -6    7    7 o  685.069   27.668  935.316   73.734  1019.74  109.636  865.595   99.631  712.992   39.404  657.147   38.851 55.84558 55.33570 
1 1 1   -6    7    8 o  327.236   39.921  247.149   36.121  190.490   85.552  259.440   39.847  292.459   74.694  362.012   28.206 -69.55350 79.84253 
1 1 1   -6    7    9 o  495.371   21.295  494.784   39.681  521.674   50.694  452.246   63.762  514.198   25.264  476.544   34.287 37.65387 42.58924 
1 1 1   -6    7   10 o  635.385   23.500  810.133   56.289  837.634   71.690  765.925   90.894  651.120   28.214  619.649   37.589 31.47076 46.99951 
1 1 1   -6    7   11 o  551.992   21.958  612.342   45.614  643.969   58.250  562.201   73.344  571.792   26.105  532.193   35.315 39.59869 43.91643 
1 1 1   -6    7   12 o  372.087   24.230  266.956   34.719  226.421   45.031  326.373   54.519  338.191   34.121  405.983   34.412 -67.79199 48.46018 
1 1 1   -6    7   13 o  518.859   23.286  537.462   44.072  548.269   53.860  515.564   76.670  528.017   26.139  509.700   38.546 18.31689 46.57290 
1 1 1   -6    7   14 o  396.416   21.084  308.486   30.712  306.441   37.525  312.635   53.450  395.053   24.340  397.779   34.433 -2.725616 42.16741 
1 1 1   -6    7   15 o  397.461   21.788  315.591   31.163  322.971   37.676  299.607   55.447  405.685   23.798  389.237   36.503 16.44803 43.57583 
1 1 1   -6    7   16 o  1372.61   32.529  3753.98  174.233  3778.67  246.007  3729.12  246.801  1377.28   45.771  1367.94   46.233 9.343384 65.05757 
1 1 1   -6    7   17 o  571.916   23.381  666.255   50.343  756.821   66.239  542.398   77.462  620.427   27.358  523.406   37.924 97.02045 46.76274 
1 1 1   -6    7   18 o  457.319   25.327  404.322   44.664  481.717   69.921  350.973   58.051  493.358   36.317  421.280   35.311 72.07819 50.65379 
1 1 1   -6    7   19 o  568.488   31.223  626.927   66.910  579.973   83.126  713.326  112.759  540.369   39.420  596.607   48.432 -56.23822 62.44661 
1 1 1   -6    7   20 o  640.371   21.146  803.800   52.488  767.885   69.667  850.947   79.822  624.227   28.599  656.516   31.156 -32.28900 42.29221 
1 1 1   -6    7   21 o  308.882   20.103  191.739   23.744  223.394   32.547  155.725   34.715  337.050   24.745  280.714   31.690 56.33621 40.20666 
1 1 1   -6    7   22 o  393.857   23.624  283.784   34.156  379.119   62.532  243.245   40.776  436.769   36.687  350.945   29.774 85.82443 47.24881 
1 1 1   -6    7   23 o  510.090   20.143  514.960   39.945  524.865   54.502  503.465   58.715  515.705   27.082  504.475   29.825 11.22977 40.28585 
1 1 1   -6    7   24 o  490.687   29.798  477.600   57.058   0.0000   0.0000  477.600   57.058  ?   ?   490.687   29.798      ?      ? 
1 1 1   -6    7   25 o  530.780   31.963  562.525   66.206   0.0000   0.0000  562.525   66.206  ?   ?   530.780   31.963      ?      ? 
1 1 1   -6    7   26 o  235.634   43.297  132.894   27.105  137.099   28.207   82.225   97.908  262.312   27.556  208.956   82.093 53.35631 86.59449 
1 1 1   -6    7   27 o  326.419   20.474  211.949   25.921  198.381   34.431  229.698   39.381  314.742   28.033  338.096   29.848 -23.35339 40.94817 
1 1 1   -6    7   28 f  464.735   32.227  438.194   58.446   0.0000   0.0000  438.194   58.446  ?   ?   464.735   32.227      ?      ? 
1 1 1   -6    7   29 o  275.864   21.450  154.164   22.995  154.707   31.184  153.517   34.044  276.873   28.861  274.854   31.740 2.019714 42.89996 
1 1 1   -6    7   30 o  267.052   22.990  144.238   23.832  129.668   31.831  162.823   35.951  251.917   32.379  282.187   32.647 -30.26990 45.98064 
1 1 1   -6    7   31 o  170.922   33.145   63.435   20.092   67.067   43.348   62.441   22.675  171.085   56.174  170.759   35.198 0.3257599 66.29052 
1 1 1   -6    7   32 o  296.925   22.514  182.359   26.029  166.383   35.917  200.029   37.773  282.875   32.537  310.975   31.126 -28.09933 45.02736 
1 1 1   -6    7   33 f  366.040   22.480  280.104   32.006  301.474   44.965  258.156   45.568  381.370   30.213  350.711   33.295 30.65970 44.96010 
1 1 1   -6    7   34 o  224.883   24.798  104.947   21.006  130.773   33.259   87.806   27.095  248.812   34.253  200.954   35.867 47.85791 49.59555 
1 1 1   -6    7   35 o  357.883   66.605  335.349   89.598   0.0000   0.0000  335.349   89.598  ?   ?   357.883   66.605      ?      ? 
1 1 1   -6    8    1 o  527.223   79.037  663.474  157.564  670.754  223.384  656.266  222.279  530.458  111.454  523.988  112.094 6.470093 158.0731 
1 1 1   -6    8    2 o  604.993   87.636  904.074  199.896  832.875  276.993  981.454  288.766  576.626  126.567  633.359  121.249 -56.73328 175.2725 
1 1 1   -6    8    3 o  149.354   37.611   40.240   27.635   43.387   39.256   37.149   38.909  152.724   53.425  145.984   52.955 6.740158 75.22278 
1 1 1   -6    8    4 o  395.973   49.175  337.986   49.412  338.742   53.038  333.013  135.969  412.784   32.925  379.163   92.675 33.62167 98.34992 
1 1 1   -6    8    5 o  681.121   70.296  1064.61  108.046  1065.80  114.657  1055.21  322.845  728.438   40.334  633.803  134.682 94.63501 140.5919 
1 1 1   -6    8    6 o  527.644   58.462  656.424   75.089  672.612   80.836  554.575  202.764  580.380   35.691  474.908  111.342 105.4723 116.9231 
1 1 1   -6    8    7 o  472.145   53.987  477.435   61.759  475.007   65.871  495.075  177.581  488.161   34.578  456.129  102.288 32.03232 107.9745 
1 1 1   -6    8    8 o  324.609   19.605  206.207   24.696  238.573   36.927  180.015   33.218  347.500   27.230  301.717   28.213 45.78214 39.21045 
1 1 1   -6    8    9 o  360.782   23.730  257.942   33.326  284.348   48.111  233.587   46.206  378.683   32.556  342.880   34.532 35.80280 47.45922 
1 1 1   -6    8   10 o  623.591   27.348  773.284   66.358  787.017   97.986  761.650   90.188  628.274   39.965  618.907   37.342 9.367798 54.69556 
1 1 1   -6    8   11 o  556.355   27.065  613.526   58.647  669.531   85.051  562.755   80.979  580.696   37.532  532.014   39.005 48.68207 54.12923 
1 1 1   -6    8   12 o  883.448   29.122  1568.89   95.520  1608.46  119.050  1497.39  160.040  902.007   33.821  864.889   47.417 37.11731 58.24300 
1 1 1   -6    8   13 o  835.188   27.231  1383.91   84.853  1386.99  105.673  1378.31  142.368  838.439   32.297  831.938   43.852 6.500671 54.46178 
1 1 1   -6    8   14 o  853.136   27.743  1403.91   86.041  1340.39  103.210  1548.63  155.790  824.526   32.076  881.745   45.276 -57.21899 55.48660 
1 1 1   -6    8   15 o  414.900   22.008  317.781   32.450  290.679   37.950  391.491   62.586  384.747   25.276  445.053   36.036 -60.30618 44.01641 
1 1 1   -6    8   16 o  577.273   27.320  655.136   61.544  655.136   61.544   0.0000   0.0000  577.273   27.320  ?   ?       ?      ? 
1 1 1   -6    8   17 o  328.683   47.034  225.331   43.787  225.874   47.642  222.374  111.123  337.904   36.129  319.462   86.852 18.44247 94.06714 
1 1 1   -6    8   18 o  667.350   43.793  887.828  114.048   0.0000   0.0000  887.828  114.048  ?   ?   667.350   43.793      ?      ? 
1 1 1   -6    8   19 o  329.595   41.229  241.351   32.307  246.609   34.395  201.942   94.158  354.203   24.884  304.988   78.614 49.21509 82.45862 
1 1 1   -6    8   20 o  323.563   36.839  228.835   31.676  235.345   34.536  194.345   79.496  345.882   25.587  301.243   69.093 44.63824 73.67889 
1 1 1   -6    8   21 o  259.520   19.769  137.241   18.959  187.741   26.866   87.150   26.757  309.178   22.267  209.863   32.672 99.31444 39.53821 
1 1 1   -6    8   22 o  664.625   32.055  874.833   83.138   0.0000   0.0000  874.833   83.138  ?   ?   664.625   32.055      ?      ? 
1 1 1   -6    8   23 o  341.668   21.184  234.214   27.792  252.638   37.136  210.754   41.904  357.683   26.605  325.653   32.974 32.02948 42.36853 
1 1 1   -6    8   24 o  906.899   37.152  1650.56  131.485   0.0000   0.0000  1650.56  131.485  ?   ?   906.899   37.152      ?      ? 
1 1 1   -6    8   25 o  435.285   46.600  411.486   45.855  411.258   48.524  413.391  140.202  454.855   27.337  415.714   89.101 39.14056 93.20030 
1 1 1   -6    8   26 o  537.918   37.557  475.456   48.427  442.958   50.660  819.853  164.918  471.046   27.559  604.790   69.876 -133.7440 75.11478 
1 1 1   -6    8   27 o  286.551   21.136  164.914   23.545  160.598   31.775  170.169   35.064  282.723   28.800  290.379   30.943 -7.656677 42.27171 
1 1 1   -6    8   28 o  305.408   21.487  188.759   25.396  189.305   33.866  188.057   38.386  306.631   28.302  304.186   32.337 2.444611 42.97352 
1 1 1   -6    8   29 o  198.215   23.410   80.965   17.381  103.951   25.619   61.363   23.659  226.821   28.943  169.609   36.802 57.21126 46.81996 
1 1 1   -6    8   30 o  119.265   31.178   24.723   14.454   20.048   42.741   25.327   15.359  128.306   52.863  110.223   33.072 18.08362 62.35565 
1 1 1   -6    8   31 o  318.258   29.929  219.682   33.914  210.543   60.774  223.815   40.868  307.053   50.719  329.463   31.787 -22.41022 59.85703 
1 1 1   -6    8   32 f  122.333   26.841   27.105   13.102   47.815   25.219   19.449   15.334  146.066   42.000   98.601   33.432 47.46490 53.68142 
1 1 1   -6    8   33 o  332.079   22.926  230.699   29.685  218.300   41.519  243.665   42.458  322.563   32.984  341.596   31.851 -19.03284 45.85172 
1 1 1   -6    8   34 o  244.076   25.018  126.277   23.693  130.359   35.640  123.045   31.716  246.641   37.029  241.511   33.652 5.129684 50.03584 
1 1 1   -6    8   35 o  149.598   32.368   41.296   17.085   76.753   39.854   33.312   18.911  176.330   53.357  122.865   36.660 53.46504 64.73697 
1 1 1   -6    9    1 o  739.370  114.798  1592.81  322.155  1585.14  454.932  1600.52  456.264  737.242  162.503  741.498  162.193 -4.255859 229.5950 
1 1 1   -6    9    2 o  618.060   92.784  994.312  216.867  1004.71  307.539  984.027  305.859  621.792  130.883  614.328  131.549 7.463989 185.5681 
1 1 1   -6    9    3 o  687.875  104.403  1306.37  271.888  1273.16  381.736  1340.57  387.339  677.369  148.506  698.381  146.786 -21.01221 208.8065 
1 1 1   -6    9    4 o  488.598   76.552  578.750  142.136  564.535  200.014  593.253  202.023  481.709  108.952  495.487  107.566 -13.77863 153.1040 
1 1 1   -6    9    5 o  962.656  105.601  2220.84  191.953  2179.38  199.624  2729.43  699.156  1034.51   49.448  890.803  205.332 143.7044 211.2023 
1 1 1   -6    9    6 o  444.992   52.791  440.488   58.377  445.318   62.667  408.789  160.541  473.129   33.941  416.855   99.977 56.27484 105.5811 
1 1 1   -6    9    7 o  559.531   59.410  706.091   79.747  714.420   85.395  649.300  222.979  598.819   36.543  520.243  113.060 78.57605 118.8194 
1 1 1   -6    9    8 o  516.712   56.672  573.800   70.116  573.731   74.750  574.302  202.288  537.365   35.646  496.059  107.594 41.30637 113.3447 
1 1 1   -6    9    9 o  415.070   95.720  388.814  151.877  388.814  151.877   0.0000   0.0000  415.070   95.720  ?   ?       ?      ? 
1 1 1   -6    9   10 o  211.151   34.051   88.222   28.058   88.222   28.058   0.0000   0.0000  211.151   34.051  ?   ?       ?      ? 
1 1 1   -6    9   11 o  382.510   23.054  288.595   34.317  319.199   49.441  260.143   47.671  402.208   31.499  362.812   33.670 39.39594 46.10728 
1 1 1   -6    9   12 o  825.704   27.212  1328.22   82.577  1284.43  100.327  1420.20  145.402  806.986   31.858  844.423   44.124 -37.43640 54.42329 
1 1 1   -6    9   13 o  452.196   21.058  405.603   34.540  410.975   41.916  394.240   60.963  457.661   23.470  446.731   34.969 10.93008 42.11517 
1 1 1   -6    9   14 o  769.599   26.408  1129.65   73.348  1066.03   87.249  1282.96  135.441  735.768   30.387  803.429   43.199 -67.66046 52.81565 
1 1 1   -6    9   15 o  674.778   56.319  848.929   71.092  835.838   73.228  1063.58  296.525  651.784   28.790  697.773  108.897 -45.98907 112.6385 
1 1 1   -6    9   16 o  352.899   27.207  253.483   36.384  304.590   49.770  194.819   53.323  392.932   32.458  312.866   43.675 80.06650 54.41486 
1 1 1   -6    9   17 o  687.442   30.108  932.196   80.320  862.767  106.906  1022.18  121.706  658.632   41.594  716.252   43.543 -57.62006 60.21641 
1 1 1   -6    9   18 o  233.207   34.906  129.484   23.257  138.476   25.323   81.017   58.792  265.468   24.444  200.946   65.393 64.52145 69.81224 
1 1 1   -6    9   19 o  257.190   33.456  109.277   22.231  101.118   23.574  174.812   66.810  226.654   26.653  287.725   61.374 -61.07135 66.91174 
1 1 1   -6    9   20 o  215.993   35.635   67.475   18.470   61.293   19.246  139.535   65.709  176.347   27.967  255.638   65.554 -79.29124 71.27043 
1 1 1   -6    9   21 o  1105.84   39.115  2437.27  168.796  2437.27  168.796   0.0000   0.0000  1105.84   39.115  ?   ?       ?      ? 
1 1 1   -6    9   22 o  914.428   54.324  1708.22  193.855   0.0000   0.0000  1708.22  193.855  ?   ?   914.428   54.324      ?      ? 
1 1 1   -6    9   23 o  464.369   62.863  452.362  113.917   0.0000   0.0000  452.362  113.917  ?   ?   464.369   62.863      ?      ? 
1 1 1   -6    9   24 o  380.622   42.768  328.581   38.989  335.107   41.740  283.896  109.219  411.230   26.009  350.015   81.485 61.21509 85.53578 
1 1 1   -6    9   25 f  311.771   26.723  193.436   32.513  193.436   32.513   0.0000   0.0000  311.771   26.723  ?   ?       ?      ? 
1 1 1   -6    9   26 o  581.734   66.783  758.436  151.609   0.0000   0.0000  758.436  151.609  ?   ?   581.734   66.783      ?      ? 
1 1 1   -6    9   27 o  293.152   55.090  173.986   32.973  169.855   33.740  261.768  155.531  290.185   29.795  296.120  106.075 -5.935272 110.1795 
1 1 1   -6    9   28 o  628.455   30.067  799.162   73.740  799.162   73.740   0.0000   0.0000  628.455   30.067  ?   ?       ?      ? 
1 1 1   -6    9   29 o  276.762   21.412  156.304   22.971  174.174   32.225  137.843   32.753  293.672   28.119  259.852   32.300 33.81958 42.82459 
1 1 1   -6    9   30 o  266.361   31.919  142.697   28.937  182.901   57.216  128.879   33.542  283.116   53.753  249.605   34.436 33.51056 63.83735 
1 1 1   -6    9   31 o  200.755   24.779   83.391   18.735  107.656   28.941   65.887   24.580  227.716   32.568  173.794   37.354 53.92213 49.55773 
1 1 1   -6    9   32 o  280.390   23.838  164.431   25.811  197.649   37.750  135.266   35.372  308.211   31.386  252.569   35.888 55.64139 47.67578 
1 1 1   -6    9   33 f  247.527   24.806  124.872   22.678  177.978   36.261   90.759   29.063  291.859   31.837  203.194   38.050 88.66550 49.61291 
1 1 1   -6    9   34 o  502.438   32.608  531.123   63.935   0.0000   0.0000  531.123   63.935  ?   ?   502.438   32.608      ?      ? 
1 1 1   -6   10    1 o  399.341   67.238  371.367  103.286  377.323  146.457  365.475  145.684  402.825   94.753  395.856   95.424 6.969025 134.4764 
1 1 1   -6   10    2 o  201.567   46.096   84.141   41.358   85.669   58.556   82.619   58.423  202.996   65.189  200.138   65.190 2.857727 92.19209 
1 1 1   -6   10    3 o  199.170   45.594   81.616   40.513   75.038   57.056   88.304   57.535  192.919   64.494  205.420   64.465 -12.50029 91.18812 
1 1 1   -6   10    4 o  353.633   62.566  284.135   86.165  271.812  121.174  296.739  122.549  345.406   89.256  361.860   87.700 -16.45370 125.1315 
1 1 1   -6   10    5 o  329.416   60.231  243.227   78.003  242.071  110.315  244.383  110.310  328.592   85.286  330.241   85.073 -1.648651 120.4622 
1 1 1   -6   10    6 o  409.914   48.641  379.097   51.948  389.752   56.405  319.554  133.340  443.609   32.582  376.218   91.664 67.39160 97.28273 
1 1 1   -6   10    7 o  407.639   94.475  374.365  147.353  374.365  147.353   0.0000   0.0000  407.639   94.475  ?   ?       ?      ? 
1 1 1   -6   10    8 o  674.280  130.932  1093.67  332.102  1093.67  332.102   0.0000   0.0000  674.280  130.932  ?   ?       ?      ? 
1 1 1   -6   10    9 o  174.370   28.982   71.395   20.054   91.921   24.154   25.844   35.982  216.015   28.653  132.726   50.387 83.28871 57.96421 
1 1 1   -6   10   10 o  296.744   43.414  176.095   37.471  173.207   40.880  191.279   93.730  295.898   35.403  297.590   79.284 -1.691528 86.82896 
1 1 1   -6   10   11 o  723.025   69.341  1195.35  119.482  1219.81  128.189  1033.46  329.821  783.474   41.927  662.576  132.192 120.8983 138.6821 
1 1 1   -6   10   12 o  1059.50   97.522  2734.60  239.084  2790.74  256.364  2359.79  662.427  1177.54   55.789  941.470  186.895 236.0666 195.0441 
1 1 1   -6   10   13 o  324.966   28.136  206.899   35.429  176.757   47.530  244.587   53.147  298.508   40.801  351.424   38.754 -52.91638 56.27268 
1 1 1   -6   10   14 o  745.732   69.237  1221.66   93.072  1226.16   96.418  1160.22  356.402  788.828   31.322  702.635  134.885 86.19354 138.4739 
1 1 1   -6   10   15 o  281.329   30.029  163.711   31.000  180.463   40.440  139.839   48.273  302.261   34.285  260.398   49.310 41.86362 60.05790 
1 1 1   -6   10   16 o  1232.92   36.743  2940.36  160.113  2792.96  187.890  3331.29  305.983  1185.60   40.610  1280.23   61.246 -94.63257 73.48631 
1 1 1   -6   10   17 o  672.899   27.538  873.691   64.115  845.220   74.479  955.177  126.000  654.914   29.142  690.885   46.734 -35.97034 55.07558 
1 1 1   -6   10   18 o  820.338   29.567  1203.37   80.221  1095.68   90.125  1614.11  176.018  744.981   31.000  895.695   50.357 -150.7139 59.13463 
1 1 1   -6   10   19 o  246.203   38.655  145.701   27.240  155.305   29.419   87.988   72.119  280.834   26.844  211.572   72.501 69.26186 77.31082 
1 1 1   -6   10   20 o  363.750   36.838  287.242   36.228  295.213   39.729  247.898   88.269  387.144   26.297  340.356   68.823 46.78790 73.67595 
1 1 1   -6   10   21 o  223.590   39.580   88.929   22.115   85.883   23.119  121.738   75.870  208.518   28.412  238.662   73.886 -30.14491 79.16057 
1 1 1   -6   10   22 o  895.369   57.514  1656.98  200.960   0.0000   0.0000  1656.98  200.960  ?   ?   895.369   57.514      ?      ? 
1 1 1   -6   10   23 o  288.194   45.387  200.396   32.130  206.477   33.812  143.777  103.170  322.811   26.840  253.578   86.716 69.23286 90.77489 
1 1 1   -6   10   24 o  593.027   37.474  606.793   56.084  570.395   59.159  929.883  176.256  535.138   28.328  650.915   69.388 -115.7761 74.94837 
1 1 1   -6   10   25 o  311.122   56.534  217.686   34.328  216.853   35.055  237.132  169.449  329.585   27.255  292.659  109.734 36.92615 113.0685 
1 1 1   -6   10   26 o  188.223   47.600   41.203   18.341   38.136   18.607  146.384  108.962  134.376   35.099  242.069   88.493 -107.6926 95.19984 
1 1 1   -6   10   27 o  172.448   50.438   39.036   18.874   38.897   19.002   49.183  162.824  135.358   35.525  209.538   94.413 -74.17920 100.8757 
1 1 1   -6   10   28 o  410.064   40.872  325.003   41.222  308.970   43.732  452.767  123.453  391.177   28.648  428.950   76.559 -37.77295 81.74319 
1 1 1   -6   10   29 o  193.349   50.249   88.936   48.680  101.771   55.272   44.550  102.781  206.448   62.917  180.251   78.367 26.19707 100.4988 
1 1 1   -6   10   30 o  154.654   44.721   35.266   23.195   33.989   23.789   59.901  104.452  126.809   41.613  182.500   79.173 -55.69100 89.44265 
1 1 1   -6   10   31 o  186.333   38.153   90.863   28.333  100.223   30.552   33.355   75.730  217.771   35.950  154.895   67.306 62.87614 76.30530 
1 1 1   -6   10   32 o  114.435   35.798   8.8509   22.411   8.9006   23.947   8.5004   63.594   94.838   39.365  134.033   59.802 -39.19427 71.59528 
1 1 1   -6   10   33 o  263.826   41.501  157.003   34.035  147.786   37.590  198.935   80.180  262.946   36.633  264.707   74.482 -1.760223 83.00298 
1 1 1   -6   10   34 o  204.254   43.303  120.150   37.895  132.929   42.035   64.691   87.567  239.319   46.686  169.189   72.945 70.12996 86.60532 
1 1 1   -6   11    1 o  255.397   52.137  140.612   55.030  125.724   77.132  156.047   78.535  242.694   74.393  268.099   73.068 -25.40485 104.2747 
1 1 1   -6   11    2 o  387.099   64.908  337.564   96.598  354.598  137.661  321.041  135.584  397.425   90.754  376.772   92.820 20.65308 129.8151 
1 1 1   -6   11    3 o  269.181   53.957  157.136   59.311  164.574   84.240  149.824   83.522  275.149   75.960  263.213   76.652 11.93628 107.9140 
1 1 1   -6   11    4 o   97.049   38.152   11.059   21.159   11.059   21.159   0.0000   0.0000   97.049   38.152  ?   ?       ?      ? 
1 1 1   -6   11    5 o  439.261   97.884  434.984  163.499  434.984  163.499   0.0000   0.0000  439.261   97.884  ?   ?       ?      ? 
1 1 1   -6   11    6 o  221.884   48.529  102.127   46.355   95.281   65.350  109.060   65.764  215.691   68.825  228.077   68.434 -12.38531 97.05708 
1 1 1   -6   11    7 o  886.391   84.177  1776.08  162.848  1776.36  172.026  1773.63  505.327  942.212   46.786  830.570  161.723 111.6420 168.3549 
1 1 1   -6   11    8 o  854.667   80.454  1681.77  156.720  1699.72  166.873  1547.52  456.270  922.366   46.361  786.968  154.085 135.3986 160.9086 
1 1 1   -6   11    9 o  405.156   48.358  368.806   52.881  382.162   57.891  301.496  129.961  439.904   33.722  370.409   90.646 69.49530 96.71585 
1 1 1   -6   11   10 o  389.160   48.214  319.626   50.037  321.802   54.209  307.103  130.075  403.672   34.412  374.647   90.078 29.02451 96.42715 
1 1 1   -6   11   11 f  592.329   59.698  732.483   84.929  729.992   90.504  750.854  245.784  607.234   38.193  577.424  113.122 29.81006 119.3953 
1 1 1   -6   11   12 o  768.679   70.918  1342.08  131.563  1367.84  141.389  1175.88  359.194  829.404   43.683  707.955  134.941 121.4496 141.8353 
1 1 1   -6   11   13 o  367.635   47.027  328.058   52.371  366.632   59.769  200.524  108.678  430.716   35.559  304.554   87.072 126.1625 94.05325 
1 1 1   -6   11   14 o  341.255   87.181  254.349  116.523   0.0000   0.0000  254.349  116.523  ?   ?   341.255   87.181      ?      ? 
1 1 1   -6   11   15 o  549.611   59.533  759.180   65.439  786.480   68.871  505.601  209.902  632.139   27.919  467.083  115.746 165.0552 119.0653 
1 1 1   -6   11   16 o  574.598   57.606  681.696   62.078  678.679   64.334  722.458  236.480  587.060   28.082  562.135  111.737 24.92529 115.2113 
1 1 1   -6   11   17 o  826.323   29.872  1128.08   77.502  993.300   85.007  1791.86  188.644  709.406   30.706  943.240   51.249 -233.8344 59.74432 
1 1 1   -6   11   18 o  579.532   32.685  634.941   56.395  614.946   61.787  734.737  138.038  558.543   28.347  600.520   58.903 -41.97662 65.36936 
1 1 1   -6   11   19 o  338.743   31.903  207.824   30.025  199.101   32.282  263.747   81.737  317.986   26.015  359.501   58.262 -41.51462 63.80635 
1 1 1   -6   11   20 o  928.640   35.030  1713.45  126.945  1713.45  126.945   0.0000   0.0000  928.640   35.030  ?   ?       ?      ? 
1 1 1   -6   11   21 o  323.675   76.340  232.568   94.862   0.0000   0.0000  232.568   94.862  ?   ?   323.675   76.340      ?      ? 
1 1 1   -6   11   22 o  709.759   60.670  1057.41  168.040   0.0000   0.0000  1057.41  168.040  ?   ?   709.759   60.670      ?      ? 
1 1 1   -6   11   23 o  516.768   43.539  449.268   48.168  427.835   49.917  739.206  183.595  463.945   27.571  569.590   82.597 -105.6450 87.07728 
1 1 1   -6   11   24 o  135.185   40.906   19.636   15.089   20.073   15.274   1.9210   97.202  101.533   33.345  168.837   74.709 -67.30335 81.81246 
1 1 1   -6   11   26 o  279.547   56.515  172.458   31.537  171.317   32.021  209.338  182.034  291.870   28.113  267.224  109.479 24.64636 113.0309 
1 1 1   -6   11   27 o  156.842   46.955   11.419   14.915   9.1294   15.052  135.108  110.626   82.738   32.279  230.947   88.188 -148.2080 93.91008 
1 1 1   -6   11   28 o  257.551   54.946  153.174   54.614  127.231   63.742  224.801  105.914  228.861   67.054  286.242   87.064 -57.38187 109.8922 
1 1 1   -6   11   29 o  117.490   38.851   8.0053   17.951   9.8267   18.222 -51.9187  104.518   88.475   35.206  146.505   69.268 -58.03085 77.70197 
1 1 1   -6   11   30 o  237.010   43.282  146.977   31.602  151.208   33.525  113.250   94.658  270.205   31.794  203.816   80.513 66.38936 86.56347 
1 1 1   -6   11   31 o  163.638   39.489   60.623   24.931   61.790   26.670   52.535   70.204  165.641   41.379  161.634   67.271 4.006729 78.97871 
1 1 1   -6   11   32 o  302.608   37.505  312.866   43.680  417.776   51.171   31.136   83.855  449.561   29.168  155.655   69.107 293.9066 75.01060 
1 1 1   -6   11   33 o  186.281   42.554   93.350   33.448  100.781   36.142   49.001   88.293  208.917   45.610  163.646   71.854 45.27089 85.10770 
1 1 1   -6   11   34 o  240.619   47.215  130.023   32.964  120.683   34.793  211.906  103.019  235.508   37.858  245.729   86.509 -10.22073 94.43024 
1 1 1   -6   12    1 o  143.310   51.711   35.259   37.031   35.259   37.031   0.0000   0.0000  143.310   51.711  ?   ?       ?      ? 
1 1 1   -6   12    2 o  217.068   47.818   97.203   44.891  102.368   63.656   92.093   63.315  221.752   67.507  212.385   67.742 9.366577 95.63602 
1 1 1   -6   12    3 o  417.653   66.986  388.305  106.667  385.102  150.667  391.523  151.033  415.785   94.943  419.521   94.522 -3.735413 133.9721 
1 1 1   -6   12    4 o  498.074   73.705  559.079  138.658  565.043  196.525  553.167  195.662  500.980  103.930  495.169  104.537 5.811310 147.4091 
1 1 1   -6   12    5 o  454.336   69.863  460.070  120.335  452.502  169.718  467.720  170.644  450.233   99.267  458.439   98.332 -8.205902 139.7252 
1 1 1   -6   12    6 o  304.687   57.363  200.910   69.417  200.029   98.246  201.789   98.094  304.015   81.254  305.359   80.992 -1.344116 114.7252 
1 1 1   -6   12    7 o  604.317   82.237  829.329  186.755  908.560  270.405  757.069  258.237  634.634  113.343  574.000  119.184 60.63403 164.4735 
1 1 1   -6   12    8 o  479.212   53.338  539.768   67.649  569.687   74.337  395.579  163.189  536.898   35.480  421.525  100.603 115.3732 106.6763 
1 1 1   -6   12    9 o  531.835   56.664  601.095   76.266  603.752   82.091  584.337  206.135  552.244   38.092  511.426  106.735 40.81812 113.3284 
1 1 1   -6   12   10 o  1087.77  103.965  2735.35  234.114  2727.91  245.963  2807.11  763.495  1165.50   54.079  1010.04  200.775 155.4604 207.9301 
1 1 1   -6   12   11 o  300.859   81.331  194.786   97.772   0.0000   0.0000  194.786   97.772  ?   ?   300.859   81.331      ?      ? 
1 1 1   -6   12   12 o  732.127  136.502  1266.33  375.647   0.0000   0.0000  1266.33  375.647  ?   ?   732.127  136.502      ?      ? 
1 1 1   -6   12   13 o  639.540   61.816  837.256   94.178  827.202  100.062  915.277  278.749  645.646   39.714  633.434  117.079 12.21246 123.6315 
1 1 1   -6   12   14 o  339.575   47.474  256.918   47.843  267.006   53.051  212.971  110.723  367.087   37.034  312.063   87.427 55.02396 94.94736 
1 1 1   -6   12   15 o  758.024   73.417  1344.55  134.518  1375.68  144.909  1150.50  361.759  829.906   44.744  686.142  139.850 143.7640 146.8337 
1 1 1   -6   12   16 o  384.567   50.157  329.773   41.169  333.919   43.132  287.318  138.026  411.864   26.836  357.270   96.657 54.59399 100.3131 
1 1 1   -6   12   17 o  330.631   47.884  309.018   38.465  331.168   40.650  119.445  118.921  410.293   25.388  250.969   92.342 159.3246 95.76892 
1 1 1   -6   12   18 o  437.676   26.797  377.399   45.769  377.399   45.769   0.0000   0.0000  437.676   26.797  ?   ?       ?      ? 
1 1 1   -6   12   19 o  360.003   99.016  299.670  143.450   0.0000   0.0000  299.670  143.450  ?   ?   360.003   99.016      ?      ? 
1 1 1   -6   12   20 o  822.435   60.862  1402.56  195.335   0.0000   0.0000  1402.56  195.335  ?   ?   822.435   60.862      ?      ? 
1 1 1   -6   12   21 o  914.864   74.297  1813.84  265.252   0.0000   0.0000  1813.84  265.252  ?   ?   914.864   74.297      ?      ? 
1 1 1   -6   12   22 o  791.168   76.752  1392.61  236.969   0.0000   0.0000  1392.61  236.969  ?   ?   791.168   76.752      ?      ? 
1 1 1   -6   12   23 o  311.920   47.647  213.969   33.122  213.442   34.556  219.922  116.183  327.363   27.050  296.476   91.374 30.88718 95.29334 
1 1 1   -6   12   24 o  487.168   76.617  553.818  145.658   0.0000   0.0000  553.818  145.658  ?   ?   487.168   76.617      ?      ? 
1 1 1   -6   12   25 o  338.763   58.130  335.695   43.157  342.015   44.134  197.627  206.283  412.856   27.393  264.671  112.986 148.1853 116.2595 
1 1 1   -6   12   26 o  288.514   48.854  188.602   32.418  187.226   33.670  206.080  120.027  304.840   28.303  272.189   93.519 32.65131 97.70824 
1 1 1   -6   12   27 o  317.676   47.806  241.297   56.290  242.004   72.033  240.188   90.210  325.481   58.880  309.871   75.333 15.61038 95.61284 
1 1 1   -6   12   28 o  236.004   41.001  140.736   30.825  147.610   33.410  101.401   79.919  268.478   31.888  203.529   75.548 64.94821 82.00244 
1 1 1   -6   12   29 o  235.032   39.881  160.650   31.840  176.452   34.324   63.167   85.251  293.239   29.995  176.825   73.907 116.4136 79.76157 
1 1 1   -6   12   30 o  235.212   40.851  148.986   31.261  156.916   33.872  103.410   81.206  274.775   31.589  195.648   75.349 79.12672 81.70298 
1 1 1   -6   12   31 o  261.085   40.990  204.149   35.632  226.194   39.270  101.436   84.765  330.029   30.491  192.141   76.098 137.8883 81.97964 
1 1 1   -6   12   32 o  150.463   40.416   50.521   28.117   56.199   29.770   3.6226   85.561  155.839   45.872  145.088   66.555 10.75116 80.83167 
1 1 1   -6   12   33 o  216.274   39.502  148.057   36.647  169.620   39.315   5.1466  101.213  281.321   35.811  151.226   70.421 130.0949 79.00397 
1 1 1   -6   13    1 o  214.984   47.575   94.450   44.390  100.210   62.954   88.754   62.601  220.225   67.154  209.743   67.408 10.48271 95.15010 
1 1 1   -6   13    2 o  431.531   67.535  410.955  110.758  386.003  155.003  436.987  158.321  417.118   97.050  445.944   93.942 -28.82587 135.0694 
1 1 1   -6   13    3 o  737.544   93.622  1264.37  263.542  1374.83  381.961  1164.01  364.090  776.889  125.988  698.198  138.518 78.69092 187.2436 
1 1 1   -6   13    4 o   98.479   27.576   10.475   15.748   12.671   22.643   8.4185   21.916  101.549   39.598   95.409   38.389 6.139824 55.15157 
1 1 1   -6   13    5 o  641.228   86.176  941.771  207.742  914.655  291.717  969.672  295.912  630.837  122.917  651.620  120.817 -20.78259 172.3525 
1 1 1   -6   13    6 o  909.583  119.980  2099.04  410.002  2222.32  590.991  1984.66  569.278  938.531  167.507  880.636  171.821 57.89410 239.9599 
1 1 1   -6   13    7 o  583.595   80.637  767.752  177.046  741.775  248.700  794.443  252.096  572.484  115.309  594.705  112.752 -22.22174 161.2736 
1 1 1   -6   13    8 o  262.352   75.738  145.624   81.861   0.0000   0.0000  145.624   81.861  ?   ?   262.352   75.738      ?      ? 
1 1 1   -6   13    9 o  556.374  110.601  694.605  231.678   0.0000   0.0000  694.605  231.678  ?   ?   556.374  110.601      ?      ? 
1 1 1   -6   13   10 o  315.910   45.545  222.631   50.294  246.605   60.209  167.283   91.483  352.057   43.825  279.763   79.854 72.29462 91.08959 
1 1 1   -6   13   11 o  305.328   44.683  197.993   44.299  202.495   50.342  182.547   93.250  319.396   40.390  291.260   79.719 28.13541 89.36674 
1 1 1   -6   13   12 o  515.980   56.057  566.819   74.623  568.847   80.589  554.629  197.612  535.549   38.561  496.411  105.274 39.13852 112.1138 
1 1 1   -6   13   13 o  549.328   58.341  650.170   82.766  653.944   89.511  627.921  217.331  573.651   39.985  525.004  109.617 48.64777 116.6823 
1 1 1   -6   13   14 o  639.112   66.449  989.233  109.183  1039.99  119.655  736.742  266.879  722.298   42.450  555.926  125.936 166.3719 132.8981 
1 1 1   -6   13   15 o  478.562   56.938  500.626   75.548  506.789   82.887  470.372  183.644  504.105   42.134  453.020  105.795 51.08560 113.8769 
1 1 1   -6   13   16 o  855.911   85.095  1707.43  163.995  1715.46  174.247  1645.18  485.271  923.855   48.331  787.967  163.184 135.8882 170.1908 
1 1 1   -6   13   17 o  907.799  196.204  2467.23  674.799   0.0000   0.0000  2467.23  674.799  ?   ?   907.799  196.204      ?      ? 
1 1 1   -6   13   19 o  234.699   44.478  127.348   27.312  131.806   28.282   65.675  105.182  258.183   28.070  211.215   84.411 46.96834 88.95607 
1 1 1   -6   13   20 o  509.119   27.994  513.663   55.617  513.663   55.617   0.0000   0.0000  509.119   27.994  ?   ?       ?      ? 
1 1 1   -6   13   21 o  270.814   58.236  163.413   58.482  161.635   65.063  170.894  133.451  270.800   62.789  270.828   98.097 -0.2752686E-01 116.4712 
1 1 1   -6   13   22 o  502.310   56.219  447.522   50.324  430.228   51.677  764.871  221.372  464.342   28.518  540.277  108.760 -75.93472 112.4374 
1 1 1   -6   13   23 o  245.543   51.351  127.575   27.735  127.798   28.225  121.322  149.513  252.565   28.637  238.520   98.629 14.04448 102.7023 
1 1 1   -6   13   24 o  273.383   53.381  187.454   32.754  189.717   33.347  125.451  174.516  307.447   27.794  239.320  103.080 68.12650 106.7611 
1 1 1   -6   13   25 o  240.540   45.481  158.272   31.748  165.821   32.749   40.336  129.439  286.622   29.279  194.458   86.120 92.16348 90.96139 
1 1 1   -6   13   26 f  182.600   51.401   52.074   50.159   29.110   58.891  112.752   95.727  149.213   61.816  215.988   82.140 -66.77440 102.8020 
1 1 1   -6   13   27 o  233.950   42.167  106.230   26.586  100.335   28.036  158.847   83.759  221.353   32.456  246.547   77.839 -25.19354 84.33414 
1 1 1   -6   13   28 o  130.541   40.263  -4.2367   13.139  -7.1569   13.314  104.650   81.297   58.609   26.643  202.472   75.990 -143.8628 80.52576 
1 1 1   -6   13   29 o  215.930   39.873  129.885   29.733  139.378   31.670   59.336   86.335  259.374   31.289  172.486   73.351 86.88722 79.74529 
1 1 1   -6   13   30 o  134.782   38.709   31.283   20.473   32.862   21.099   5.8138   84.731  123.098   39.088  146.465   66.826 -23.36695 77.41812 
1 1 1   -6   13   31 o  398.177   75.645  435.132  113.243   0.0000   0.0000  435.132  113.243  ?   ?   398.177   75.645      ?      ? 
1 1 1   -6   13   32 o  244.008   40.367  197.847   38.639  224.552   41.605   30.347  104.198  326.553   32.648  161.462   73.838 165.0903 80.73345 
1 1 1   -6   14    1 o  173.908   39.851   57.944   30.501   50.394   39.506   69.085   47.990  161.901   53.649  185.915   58.943 -24.01402 79.70294 
1 1 1   -6   14    2 o  430.656   67.404  407.120  110.327  381.478  154.447  433.838  157.654  415.770   96.971  445.541   93.648 -29.77173 134.8086 
1 1 1   -6   14    3 o  138.411   36.154   30.598   25.831   32.097   36.806   29.144   36.259  140.196   51.405  136.627   50.853 3.569214 72.30830 
1 1 1   -6   14    4 o  422.017   94.634  390.933  152.004   0.0000   0.0000  390.933  152.004  ?   ?   422.017   94.634      ?      ? 
1 1 1   -6   14    5 o  334.057   84.767  241.864  110.686   0.0000   0.0000  241.864  110.686  ?   ?   334.057   84.767      ?      ? 
1 1 1   -6   14    6 o  226.650   70.047  105.720   68.224   0.0000   0.0000  105.720   68.224  ?   ?   226.650   70.047      ?      ? 
1 1 1   -6   14    7 o  626.533   80.966  871.493  193.098  1007.91  284.556  755.054  262.893  680.088  107.219  572.977  121.350 107.1104 161.9311 
1 1 1   -6   14    8 o  265.263   53.604  148.527   59.330  112.302   83.532  185.407   84.283  235.971   78.003  294.556   73.547 -58.58536 107.2085 
1 1 1   -6   14    9 o  150.858   40.032   35.368   31.780   30.557   48.677   38.942   41.956  150.158   58.195  151.557   54.987 -1.398392 80.06430 
1 1 1   -6   14   10 o  548.186   59.349  696.297   86.882  726.193   95.506  552.827  209.223  604.610   40.479  491.762  111.583 112.8482 118.6984 
1 1 1   -6   14   11 o  375.554   47.480  314.442   56.753  333.943   65.445  255.307  113.965  409.787   40.925  341.322   85.688 68.46466 94.95960 
1 1 1   -6   14   12 o  460.414   55.364  455.253   73.974  458.692   81.988  440.197  171.553  479.425   43.822  441.402  101.688 38.02292 110.7284 
1 1 1   -6   14   13 o  310.169   47.336  225.431   53.906  270.106   65.701  133.414   94.293  367.366   45.829  252.971   82.839 114.3950 94.67136 
1 1 1   -6   14   14 o  587.891   62.857  801.519  100.142  831.465  110.424  662.812  237.653  645.000   43.870  530.781  117.810 114.2195 125.7130 
1 1 1   -6   14   15 o  131.988   37.315 -15.2118   28.854   63.370   56.249 -43.2751   33.614  183.351   63.962   80.625   38.451 102.7264 74.62972 
1 1 1   -6   14   16 o  442.155   80.099  463.766  137.266  470.502  215.367  459.158  178.136  439.143  121.544  445.167  104.356 -6.023651 160.1974 
1 1 1   -6   14   17 f  238.340   64.016  106.236   80.434   16.518  162.964  135.131   92.484  225.303   98.305  251.376   82.027 -26.07281 128.0324 
1 1 1   -6   14   18 o  305.905   64.050  201.719   74.008  201.719   74.008   0.0000   0.0000  305.905   64.050  ?   ?       ?      ? 
1 1 1   -6   14   19 o  476.776   28.209  450.706   52.485  450.706   52.485   0.0000   0.0000  476.776   28.209  ?   ?       ?      ? 
1 1 1   -6   14   20 o  230.204   44.903  123.008   27.066  126.809   27.919   63.568  110.399  252.542   28.329  207.867   85.221 44.67502 89.80613 
1 1 1   -6   14   21 o  452.051   55.704  400.085   46.936  389.569   48.423  563.460  190.862  442.005   28.073  462.096  107.813 -20.09106 111.4083 
1 1 1   -6   14   22 o  166.147   43.481   48.777   18.632   50.395   18.844 -21.9417  124.580  155.475   32.121  176.819   80.813 -21.34396 86.96209 
1 1 1   -6   14   23 o  474.629   66.770  459.259   52.156  445.780   53.329  755.464  250.003  470.744   29.030  478.514  130.346 -7.770081 133.5400 
1 1 1   -6   14   24 o  310.607   63.513  256.952   70.026  258.289   74.880  247.628  197.706  343.029   55.938  278.185  114.047 64.84348 127.0261 
1 1 1   -6   14   25 o  151.938   50.709 -10.9999   54.402   1.9637   57.358 -127.1492  171.687  131.893   57.913  171.982   83.256 -40.08914 101.4173 
1 1 1   -6   14   26 o  409.899   71.979  531.440   93.321  534.514   99.088  507.316  277.577  494.265   51.373  325.533  134.480 168.7316 143.9584 
1 1 1   -6   14   27 o  159.906   48.840   38.155   19.884   39.359   19.967 -105.9745  218.431  134.973   36.867  184.838   90.456 -49.86519 97.68026 
1 1 1   -6   14   28 o  165.822   52.544   35.859   20.909   35.594   21.001   66.051  224.079  128.023   38.730  203.621   97.692 -75.59831 105.0889 
1 1 1   -6   14   29 o  141.191   52.577  -4.4519   16.507  -5.4939   16.557  167.838  212.895   67.666   30.329  214.716  100.685 -147.0500 105.1532 
1 1 1   -6   14   30 f  211.883   52.267  108.844   33.054  108.674   33.464  115.639  211.734  221.449   40.204  202.318   96.493 19.13161 104.5333 
1 1 1   -6   14   31 o  138.859   39.338   38.142   22.640   42.382   23.150 -54.8029  108.386  137.411   40.453  140.307   67.479 -2.895630 78.67505 
1 1 1   -6   14   32 o  172.298   42.330   73.811   27.191   76.924   28.003   22.413  113.776  184.494   40.044  160.102   74.591 24.39246 84.66013 
1 1 1   -6   15    1 o  478.343  101.254  507.102  183.119   0.0000   0.0000  507.102  183.119  ?   ?   478.343  101.254      ?      ? 
1 1 1   -6   15    2 o  308.148   57.825  204.814   70.703  210.692  100.484  199.050   99.503  312.459   81.542  303.836   82.011 8.622253 115.6505 
1 1 1   -6   15    3 o  522.386   75.174  609.081  148.019  640.849  211.796  578.751  206.950  536.893  104.849  507.879  107.755 29.01382 150.3474 
1 1 1   -6   15    4 o  420.374   67.055  389.029  107.388  403.148  153.033  375.330  150.734  428.356   94.118  412.393   95.537 15.96326 134.1101 
1 1 1   -6   15    5 o  205.734   45.816   84.105   41.532  106.679   60.690   64.222   56.959  226.011   65.203  185.457   64.383 40.55449 91.63286 
1 1 1   -6   15    6 o  620.112   84.641  882.246  197.362  924.902  282.886  841.793  275.485  636.114  118.312  604.111  121.073 32.00348 169.2823 
1 1 1   -6   15    7 o  633.767   83.106  908.259  201.000  1012.35  292.989  815.712  276.263  676.020  111.061  591.515  123.661 84.50507 166.2124 
1 1 1   -6   15    8 o  455.919   70.987  464.911  122.857  476.896  176.061  453.536  171.519  461.679  100.568  450.160  100.214 11.51855 141.9742 
1 1 1   -6   15    9 o  303.746   59.362  200.242   72.634  215.933  106.561  186.625   99.265  314.254   84.890  293.238   83.001 21.01596 118.7246 
1 1 1   -6   15   10 o  273.137   58.985  160.245   68.554  153.700  102.587  165.527   92.150  269.223   86.267  277.050   80.466 -7.827271 117.9692 
1 1 1   -6   15   11 o  384.101   52.295  343.979   68.039  387.295   81.037  240.486  125.260  439.566   47.242  328.637   93.314 110.9295 104.5908 
1 1 1   -6   15   12 o  389.207   53.205  327.139   70.322  334.059   82.560  308.850  134.223  406.929   51.990  371.485   92.845 35.44397 106.4104 
1 1 1   -6   15   13 o  335.237   53.822  243.352   64.925  244.516   78.163  240.764  116.602  341.472   60.889  329.002   88.768 12.46964 107.6442 
1 1 1   -6   15   14 o  204.086   55.269   62.717   55.739   86.520  108.533   54.190   64.960  227.075   87.197  181.096   67.935 45.97865 110.5374 
1 1 1   -6   15   15 o  180.713   52.689   35.855   53.788   7.6754  112.868   44.135   61.182  190.995   82.579  170.430   65.463 20.56497 105.3790 
1 1 1   -6   15   16 o  622.449   47.490  783.322  115.355  783.322  115.355   0.0000   0.0000  622.449   47.490  ?   ?       ?      ? 
1 1 1   -6   15   17 o  166.334   68.165   28.819   70.595   28.819   70.595   0.0000   0.0000  166.334   68.165  ?   ?       ?      ? 
1 1 1   -6   15   18 o  220.567   51.547  105.974   54.356  138.701   68.451   50.110   89.431  250.211   68.225  190.922   77.291 59.28874 103.0950 
1 1 1   -6   15   19 o  121.000   40.016 -51.1724   46.244 -46.9842   60.028 -57.2865   72.529  115.846   54.042  126.153   59.032 -10.30649 80.03283 
1 1 1   -6   15   20 f  328.073   53.576  234.261   38.318  232.070   39.720  263.669  145.546  340.581   29.885  315.565  102.899 25.01608 107.1513 
1 1 1   -6   15   21 o  272.809   51.107  173.133   31.679  174.242   32.524  152.626  139.891  294.994   28.252  250.623   98.231 44.37074 102.2134 
1 1 1   -6   15   22 o  291.813   50.243  256.695   38.424  267.860   39.546   68.223  162.473  365.368   27.736  218.258   96.582 147.1102 100.4856 
1 1 1   -6   15   23 o  277.338   63.876  202.417   70.678  201.897   77.426  205.013  173.099  290.435   69.283  264.240  107.334 26.19495 127.7530 
1 1 1   -6   15   24 o  383.865  140.170  631.659  273.266   0.0000   0.0000  631.659  273.266  ?   ?   383.865  140.170      ?      ? 
1 1 1   -6   15   25 o  242.068   54.724  128.658   29.254  128.720   29.556  125.701  205.115  251.710   30.090  232.426  105.231 19.28395 109.4486 
1 1 1   -6   15   26 o  202.234   58.828   54.240   22.520   52.479   22.636  224.969  222.929  155.522   37.691  248.946  111.455 -93.42380 117.6559 
1 1 1   -6   15   27 o  267.928  122.849  438.051  291.078   0.0000   0.0000  438.051  291.078  ?   ?   267.928  122.849      ?      ? 
1 1 1   -6   15   28 o  205.635   48.884  104.227   28.871  106.416   29.065 -57.5757  249.902  225.494   33.030  185.776   92.020 39.71764 97.76887 
1 1 1   -6   15   29 o  242.955   53.596  167.453   39.626  168.603   40.014  108.934  285.440  281.256   36.457  204.654  100.801 76.60204 107.1912 
1 1 1   -6   15   30 o  246.728   56.208  145.428   32.323  142.490   32.642  293.661  231.863  260.782   32.075  232.674  107.743 28.10796 112.4158 
1 1 1   -6   15   31 o  252.143  114.881  448.377  249.307   0.0000   0.0000  448.377  249.307  ?   ?   252.143  114.881      ?      ? 
1 1 1   -6   16    1 o  403.967   56.106  345.591   83.660  344.617  105.150  347.270  138.100  410.643   65.617  397.291   91.026 13.35251 112.2112 
1 1 1   -6   16    2 o  713.207   79.492  1164.98  202.534  1238.23  254.710  1039.02  333.989  766.465   85.157  659.950  134.255 106.5153 158.9844 
1 1 1   -6   16    3 o  335.951   51.889  241.290   65.329  241.938   85.209  240.364  101.756  338.577   66.863  333.325   79.367 5.252411 103.7781 
1 1 1   -6   16    4 o  182.561   44.481   62.922   38.458   58.536   54.953   67.132   53.838  178.951   63.163  186.171   62.647 -7.220154 88.96233 
1 1 1   -6   16    5 o  136.726   37.051   26.114   27.641   31.122   40.637   21.802   37.707  142.640   53.688  130.812   51.074 11.82814 74.10158 
1 1 1   -6   16    6 o  175.490   44.208   55.141   37.945   59.192   57.184   51.954   50.719  180.779   64.366  170.202   60.616 10.57716 88.41525 
1 1 1   -6   16    7 o  787.968  102.745  1518.92  309.124  1665.08  450.670  1389.06  424.809  833.681  138.525  742.256  151.779 91.42493 205.4896 
1 1 1   -6   16    8 o  283.327   59.465  174.259   70.655  161.184  102.683  186.016   97.370  274.293   86.128  292.361   82.014 -18.06857 118.9294 
1 1 1   -6   16    9 o  912.927  130.263  2313.04  447.635  2530.58  653.983  2121.29  614.010  958.722  181.445  867.133  186.953 91.58978 260.5261 
1 1 1   -6   16   10 o  212.562   52.792   84.766   53.127   97.933   85.627   76.525   67.743  224.566   78.884  200.557   70.180 24.00838 105.5840 
1 1 1   -6   16   11 o  447.770   74.406  459.338  127.505  489.564  188.508  433.848  173.113  460.559  106.937  434.982  103.486 25.57700 148.8118 
1 1 1   -6   16   12 o  470.822   77.097  518.567  140.149  412.476  196.830  627.665  199.600  415.289  116.644  526.355  100.845 -111.0661 154.1932 
1 1 1   -6   16   13 o  240.580   57.471  103.078   62.065  178.490  108.674   66.575   75.608  284.681   88.477  196.479   73.373 88.20190 114.9424 
1 1 1   -6   16   14 o  766.834   51.077  1193.72  152.847  1193.72  152.847   0.0000   0.0000  766.834   51.077  ?   ?       ?      ? 
1 1 1   -6   16   15 o  268.904   77.848  160.323   86.378  160.323   86.378   0.0000   0.0000  268.904   77.848  ?   ?       ?      ? 
1 1 1   -6   16   16 f  493.627   61.547  554.229   96.002  558.127  109.688  541.466  198.473  520.200   54.033  467.054  110.601 53.14645 123.0941 
1 1 1   -6   16   17 f  257.272   57.787  151.869   65.852  171.335   87.632  126.617   99.809  273.544   78.182  241.001   85.118 32.54300 115.5744 
1 1 1   -6   16   18 o  292.337   56.178  213.131   67.473  250.910   82.903  139.003  116.128  336.304   65.525  248.370   91.272 87.93350 112.3569 
1 1 1   -6   16   19 o  766.081   50.317  1230.69  150.425  1230.69  150.425   0.0000   0.0000  766.081   50.317  ?   ?       ?      ? 
1 1 1   -6   16   20 o  154.108   49.390 -29.5046   62.499 -64.0682   79.395   26.812  101.344  128.573   60.662  179.643   77.960 -51.07022 98.78039 
1 1 1   -6   16   21 o  460.992  145.335  816.961  292.078   0.0000   0.0000  816.961  292.078  ?   ?   460.992  145.335      ?      ? 
1 1 1   -6   16   22 o  336.293   64.558  329.929   87.340  353.741   98.798  244.757  186.853  394.426   64.188  278.160  112.031 116.2658 129.1164 
1 1 1   -6   16   23 o  137.792   48.011   6.7335   11.272   6.5119   11.302   47.680  153.636   71.470   27.946  204.114   91.864 -132.6442 96.02106 
1 1 1   -6   16   24 o  210.783   52.614   85.525   25.778   85.884   25.999   64.619  198.295  204.922   32.511  216.643  100.079 -11.72105 105.2275 
1 1 1   -6   16   25 o  288.510   63.000  176.804   35.613  172.303   36.020  372.512  237.534  289.712   31.860  287.308  121.905 2.404449 125.9994 
1 1 1   -6   16   26 f  376.681   67.257  413.082   50.079  407.482   50.909  580.630  278.453  445.759   29.266  307.604  131.292 138.1545 134.5140 
1 1 1   -6   16   27 o  193.415   51.152   78.760   27.152   79.002   27.374   63.979  213.931  189.563   38.322  197.268   94.855 -7.704849 102.3037 
1 1 1   -6   16   28 o  192.415   52.561   74.916   27.122   74.519   27.309  103.488  231.835  183.036   39.399  201.794   97.459 -18.75826 105.1221 
1 1 1   -6   16   29 o  225.870   49.974  136.544   32.067  137.780   32.411   79.203  220.724  256.325   32.402  195.415   94.551 60.90988 99.94877 
1 1 1   -6   16   30 o  264.315   33.210  147.698   34.255  147.698   34.255   0.0000   0.0000  264.315   33.210  ?   ?       ?      ? 
1 1 1   -6   17    1 o  439.032   58.100  416.044   92.864  425.522  115.997  399.126  154.971  455.542   65.251  422.522   96.150 33.01901 116.2003 
1 1 1   -6   17    2 f  347.243   56.924  265.255   74.875  280.789   97.351  242.758  117.156  363.078   71.253  331.409   88.795 31.66855 113.8486 
1 1 1   -6   17    3 f  530.426   65.265  643.138  125.688  791.343  167.421  451.738  190.260  619.133   69.294  441.718  110.618 177.4154 130.5298 
1 1 1   -6   17    4 o  545.970   75.440  621.968  160.732  621.968  160.732   0.0000   0.0000  545.970   75.440  ?   ?       ?      ? 
1 1 1   -6   17    5 o  524.167   74.005  612.801  148.462  506.321  202.745  735.901  217.996  466.342  112.668  581.992   95.984 -115.6501 148.0099 
1 1 1   -6   17    6 o  903.777  126.677  2226.41  430.011  2553.65  638.625  1954.99  581.619  972.462  174.705  835.092  183.484 137.3702 253.3541 
1 1 1   -6   17    7 f  288.920   59.798  182.081   71.525  182.727  106.374  181.548   96.630  289.296   87.088  288.545   81.969 0.7514954 119.5957 
1 1 1   -6   17    8 o  182.402   47.757   56.447   45.540   35.334   70.990   71.210   59.364  172.864   69.254  191.940   65.778 -19.07603 95.51346 
1 1 1   -6   17    9 o  541.044   77.034  664.830  159.615  533.104  217.558  818.387  234.896  472.568  118.257  609.519   98.754 -136.9520 154.0687 
1 1 1   -6   17   10 f  602.069  126.153  878.975  286.913  878.975  286.913   0.0000   0.0000  602.069  126.153  ?   ?       ?      ? 
1 1 1   -6   17   11 o  402.328  105.646  379.635  167.993  379.635  167.993   0.0000   0.0000  402.328  105.646  ?   ?       ?      ? 
1 1 1   -6   17   12 o  209.468   83.975   61.041  104.456   61.041  104.456   0.0000   0.0000  209.468   83.975  ?   ?       ?      ? 
1 1 1   -6   17   13 o  297.756   61.054  200.855   74.859  202.596  100.593  198.694  112.066  299.841   83.095  295.672   89.473 4.168518 122.1075 
1 1 1   -6   17   14 o  747.043   57.617  1157.42  167.970  1157.42  167.970   0.0000   0.0000  747.043   57.617  ?   ?       ?      ? 
1 1 1   -6   17   15 o  205.760   51.439   52.195   53.813  165.378   93.597  -3.6930   65.770  268.956   81.854  142.564   62.321 126.3915 102.8782 
1 1 1   -6   17   16 o  207.705   54.853   80.787   60.183  113.888   89.934   53.941   80.991  229.077   80.809  186.334   74.199 42.74257 109.7069 
1 1 1   -6   17   17 o  393.788   64.988  337.672   99.868  337.672   99.868   0.0000   0.0000  393.788   64.988  ?   ?       ?      ? 
1 1 1   -6   17   18 o  170.516   51.458   20.547   61.412   55.309   88.551 -11.6665   85.242  187.602   76.550  153.429   68.789 34.17386 102.9170 
1 1 1   -6   17   20 o  279.598   64.020  217.419   82.210  245.671  100.397  159.927  143.219  311.491   81.612  247.705   98.659 63.78600 128.0398 
1 1 1   -6   17   21 o  395.780   62.398  485.165   96.474  579.706  114.021  246.933  180.998  512.347   57.028  279.213  111.004 233.1334 124.7965 
1 1 1   -6   17   22 o  411.149   64.183  491.149   56.781  496.972   58.755  408.806  220.945  495.032   30.414  327.266  124.711 167.7657 128.3661 
1 1 1   -6   17   23 o  189.743   88.908  -9.9553  165.478   0.0000   0.0000  -9.9553  165.478  ?   ?   189.743   88.908      ?      ? 
1 1 1   -6   17   24 o  413.277   71.991  597.298  107.830  612.049  116.910  513.251  279.064  516.828   57.966  309.727  131.798 207.1008 143.9816 
1 1 1   -6   17   25 o  318.778  140.946  796.452  345.313   0.0000   0.0000  796.452  345.313  ?   ?   318.778  140.946      ?      ? 
1 1 1   -6   17   26 o  252.264   53.022  179.151   39.374  180.251   40.049  147.354  215.244  292.277   35.113  212.251  100.062 80.02644 106.0438 
1 1 1   -6   17   27 o  125.620   44.804   9.4806   14.176   9.9962   14.211 -96.2699  203.521   81.485   31.482  169.754   83.895 -88.26915 89.60725 
1 1 1   -6   17   28 o  323.442   60.898  392.635   82.490  403.544   87.515  305.749  246.987  413.677   54.211  233.207  109.065 180.4706 121.7951 
1 1 1   -6   17   29 o   82.563   33.438   8.0003   16.746   8.0003   16.746   0.0000   0.0000   82.563   33.438  ?   ?       ?      ? 
1 1 1   -6   18    1 o  638.227   73.312  914.519  167.543  924.652  207.538  895.559  283.894  661.665   80.376  614.789  122.631 46.87549 146.6241 
1 1 1   -6   18    2 o  555.642   67.788  689.896  136.276  716.901  171.322  643.373  224.864  585.433   74.990  525.850  112.949 59.58270 135.5761 
1 1 1   -6   18    3 o  296.637   55.685  193.917   66.701  233.841   91.475  148.590   97.468  329.337   73.085  263.936   84.036 65.40112 111.3705 
1 1 1   -6   18    4 o  255.013   53.319  136.018   57.189  106.009   76.797  173.376   85.686  227.400   74.774  282.626   76.028 -55.22572 106.6370 
1 1 1   -6   18    5 o  185.845   46.450   63.557   42.271   75.861   60.359   51.714   59.219  196.354   66.331  175.337   65.042 21.01628 92.89963 
1 1 1   -6   18    6 o  155.954   62.224   28.725   57.061   28.725   57.061   0.0000   0.0000  155.954   62.224  ?   ?       ?      ? 
1 1 1   -6   18    7 o  306.816   90.022  210.058  114.817  210.058  114.817   0.0000   0.0000  306.816   90.022  ?   ?       ?      ? 
1 1 1   -6   18    8 o  265.646   85.942  152.189  101.630  152.189  101.630   0.0000   0.0000  265.646   85.942  ?   ?       ?      ? 
1 1 1   -6   18    9 o  666.899   96.165  1121.96  241.527  1237.69  353.851  1021.00  330.487  702.217  134.016  631.581  137.951 70.63641 192.3301 
1 1 1   -6   18   10 o  775.755  170.670  1743.95  502.638  1743.95  502.638   0.0000   0.0000  775.755  170.670  ?   ?       ?      ? 
1 1 1   -6   18   11 o  319.532   56.599  207.134   95.193 -50.7190  138.682  436.866  130.901  187.232   85.452  451.831   74.240 -264.5982 113.1971 
1 1 1   -6   18   12 o  640.876  103.626  1149.57  253.178  1177.58  369.516  1124.78  347.585  643.478  149.933  638.275  143.084 5.203247 207.2509 
1 1 1   -6   18   13 o  589.727  148.572  1023.85  341.758  1023.85  341.758   0.0000   0.0000  589.727  148.572  ?   ?       ?      ? 
1 1 1   -6   18   14 o  220.474   58.480   95.252   70.512   46.309  107.011  132.807   93.739  197.780   82.746  243.168   82.660 -45.38858 116.9601 
1 1 1   -6   18   15 o  173.559   51.330   7.1265   58.302   91.088   97.526 -39.5657   72.728  214.819   82.618  132.300   60.936 82.51906 102.6592 
1 1 1   -6   18   16 o  282.517   54.590  181.439   72.853  325.646  104.552   45.334  101.572  374.756   74.117  190.277   80.168 184.4791 109.1794 
1 1 1   -6   18   17 o  415.926   81.803  419.604  128.045  419.604  128.045   0.0000   0.0000  415.926   81.803  ?   ?       ?      ? 
1 1 1   -6   18   18 o  215.371   53.779   34.853   67.238  242.200  112.040 -81.8565   84.057  303.843   88.863  126.899   60.599 176.9442 107.5587 
1 1 1   -6   18   19 o  191.240   55.982   56.529   70.204  105.717  100.440   9.5410   98.167  214.816   83.500  167.663   74.590 47.15295 111.9640 
1 1 1   -6   18   20 o  231.308   60.763  130.930   80.721  200.152  105.571   33.501  125.247  272.968   87.517  189.647   84.316 83.32092 121.5259 
1 1 1   -6   18   21 o  202.018   60.921   73.527   76.421   67.771   88.138   90.962  153.387  187.568   76.435  216.467   94.885 -28.89896 121.8425 
1 1 1   -6   18   22 o  161.684   54.276 -44.8728   75.111 -63.3173   85.452   17.800  157.517  130.631   62.017  192.738   89.093 -62.10748 108.5522 
1 1 1   -6   18   23 o  228.034  103.142  150.842  196.495   0.0000   0.0000  150.842  196.495  ?   ?   228.034  103.142      ?      ? 
1 1 1   -6   18   24 o  294.255  128.037  534.515  274.803   0.0000   0.0000  534.515  274.803  ?   ?   294.255  128.037      ?      ? 
1 1 1   -6   18   25 o  228.432   49.444  144.717   35.118  147.844   35.618   35.708  210.305  265.017   34.440  191.848   92.696 73.16844 98.88731 
1 1 1   -6   18   26 o  360.337   63.823  514.994   95.191  530.390  101.307  398.900  278.180  474.498   54.711  246.176  115.326 228.3224 127.6455 
1 1 1   -6   18   27 f  216.021   32.297   97.796   27.226   97.796   27.226   0.0000   0.0000  216.021   32.297  ?   ?       ?      ? 
1 1 1   -6   18   28 f  324.600   30.214  219.665   38.272  219.665   38.272   0.0000   0.0000  324.600   30.214  ?   ?       ?      ? 
1 1 1   -6   19    1 o  627.927   77.452  835.312  189.789  835.312  189.789   0.0000   0.0000  627.927   77.452  ?   ?       ?      ? 
1 1 1   -6   19    2 o  510.720   73.491  548.544  146.471  548.544  146.471   0.0000   0.0000  510.720   73.491  ?   ?       ?      ? 
1 1 1   -6   19    3 f  410.032   60.932  388.824   95.287  484.354  126.367  262.916  145.074  482.622   67.096  337.442  101.730 145.1804 121.8642 
1 1 1   -6   19    4 o  267.764   56.135  157.002   62.929  165.161   86.172  147.679   92.114  274.549   77.202  260.979   81.514 13.56915 112.2709 
1 1 1   -6   19    5 o  446.855   84.318  441.911  141.643  441.911  141.643   0.0000   0.0000  446.855   84.318  ?   ?       ?      ? 
1 1 1   -6   19    6 o  516.046   65.087  571.106  125.902  479.926  159.066  724.040  206.006  460.441   91.748  571.651   92.346 -111.2101 130.1742 
1 1 1   -6   19    7 o  405.579  106.090  394.353  169.833  394.353  169.833   0.0000   0.0000  405.579  106.090  ?   ?       ?      ? 
1 1 1   -6   19    8 o  415.605   67.831  396.148  116.968  204.253  159.573  618.978  171.956  299.378  107.423  531.833   82.853 -232.4557 135.6624 
1 1 1   -6   19    9 o  322.223   65.536  246.505   95.262  117.325  141.022  354.927  129.195  250.726   98.517  393.720   86.454 -142.9938 131.0723 
1 1 1   -6   19   10 o  256.005   61.906  133.368   69.854  190.760  126.622  108.259   83.751  285.831   96.076  226.178   78.096 59.65276 123.8121 
1 1 1   -6   19   11 o  322.439   70.725  263.115  103.533  168.850  161.204  329.297  135.073  275.118  106.105  369.759   93.540 -94.64105 141.4496 
1 1 1   -6   19   12 o  291.701   69.443  212.971   96.182  151.615  155.734  250.805  122.293  263.246  103.499  320.155   92.613 -56.90881 138.8862 
1 1 1   -6   19   13 f  443.372  134.069  604.182  251.689  604.182  251.689   0.0000   0.0000  443.372  134.069  ?   ?       ?      ? 
1 1 1   -6   19   14 o  320.116   65.104  181.374   79.410  477.826  168.850   97.183   89.982  426.246  102.719  213.985   80.018 212.2610 130.2083 
1 1 1   -6   19   15 o  407.426   76.095  464.197  122.580  472.904  163.535  453.033  185.185  421.164  100.838  393.688  113.990 27.47583 152.1904 
1 1 1   -6   19   16 o  139.907   46.472 -56.7071   63.648 -128.1631  112.262 -22.8579   77.266  139.265   67.394  140.549   64.005 -1.283966 92.94439 
1 1 1   -6   19   17 f  147.635   70.074 -78.0236  108.980 -78.0236  108.980   0.0000   0.0000  147.635   70.074  ?   ?       ?      ? 
1 1 1   -6   19   18 o  391.304   63.174  442.134  101.982  577.330  132.585  246.253  159.591  499.188   68.061  283.421  106.450 215.7677 126.3486 
1 1 1   -6   19   19 o  327.122   63.913  315.852   92.153  394.183  117.208  189.039  149.132  398.142   78.228  256.103  101.093 142.0384 127.8258 
1 1 1   -6   19   20 o  160.820   52.623 -22.9399   74.238 -36.0517   92.274   1.1224  125.002  145.092   67.456  176.548   80.786 -31.45628 105.2463 
1 1 1   -6   19   21 o  164.798   54.382 -18.4913   73.819 -33.9077   85.227   27.808  147.698  139.041   64.705  190.554   87.423 -51.51312 108.7635 
1 1 1   -6   19   22 o  197.227   66.917   12.575  136.173   62.973  254.019  -7.7491  161.310  212.948  102.637  181.506   85.890 31.44185 133.8337 
1 1 1   -6   19   23 o  214.755   71.129  139.458  149.494  112.834  240.850  156.143  190.667  211.341  101.365  218.169   99.811 -6.828278 142.2570 
1 1 1   -6   19   24 o  179.340   46.798   68.931   23.287   70.361   23.452 -32.0274  197.072  180.363   34.577  178.318   86.974 2.045624 93.59499 
1 1 1   -6   19   25 o  271.347   55.847  209.043   37.233  207.873   37.631  263.410  256.457  316.340   30.484  226.354  107.454 89.98639 111.6944 
1 1 1   -6   19   26 o   71.641   29.318   4.8367   13.037   4.8367   13.037   0.0000   0.0000   71.641   29.318  ?   ?       ?      ? 
1 1 1   -6   19   27 f  193.987   41.786  103.824   26.422  108.269   26.807 -47.3055  156.321  227.883   30.145  160.092   77.947 67.79134 83.57278 
1 1 1   -6   20    1 o  183.316   47.433   54.968   50.527  101.498   60.006 -58.4082   93.667  217.851   65.370  148.781   68.749 69.06975 94.86669 
1 1 1   -6   20    2 o  293.120   59.678  197.372   71.354  210.826   89.760  174.271  117.613  307.865   75.328  278.376   92.584 29.48941 119.3568 
1 1 1   -6   20    3 o  458.902   68.829  508.261  119.053  579.005  153.517  401.522  188.571  518.174   75.919  399.631  114.830 118.5433 137.6575 
1 1 1   -6   20    4 o  122.009   38.612 -17.6963   37.791 -16.1649   53.906 -19.1763   52.995  123.362   55.049  120.657   54.158 2.704552 77.22308 
1 1 1   -6   20    5 o  265.689   57.616  152.161   68.700   87.751   94.001  226.012  100.654  216.512   81.623  314.865   81.341 -98.35240 115.2327 
1 1 1   -6   20    6 o  377.558   93.297  338.055  136.667  338.055  136.667   0.0000   0.0000  377.558   93.297  ?   ?       ?      ? 
1 1 1   -6   20    7 o  435.817   71.227  457.650  118.430  399.749  158.553  530.722  178.118  403.798  100.903  467.835  100.555 -64.03665 142.4531 
1 1 1   -6   20    8 o  238.678   91.428  115.411  119.138  115.411  119.138   0.0000   0.0000  238.678   91.428  ?   ?       ?      ? 
1 1 1   -6   20    9 o  270.381   64.283  175.561   83.395  111.398  132.887  217.249  107.113  239.173   95.105  301.590   86.511 -62.41634 128.5658 
1 1 1   -6   20   10 o  249.710   81.940  144.791   92.240   0.0000   0.0000  144.791   92.240  ?   ?   249.710   81.940      ?      ? 
1 1 1   -6   20   13 o  246.372   65.002  145.242   97.695 -50.5345  178.783  228.589  116.652  196.687   92.242  296.056   91.610 -99.36862 130.0036 
1 1 1   -6   20   14 o  234.430   68.393  124.692   98.092   63.649  198.013  144.543  112.921  227.764  103.232  241.095   89.741 -13.33101 136.7856 
1 1 1   -6   20   15 o  262.710   67.033  181.751   86.640  227.290  137.385  151.680  111.639  282.338   99.848  243.082   89.466 39.25624 134.0662 
1 1 1   -6   20   16 o  330.198   65.881  302.938   96.132  430.960  136.777  177.962  135.140  406.195   88.767  254.202   97.375 151.9921 131.7626 
1 1 1   -6   20   17 o  240.737   64.078  152.427   81.204  150.650  105.497  155.011  127.204  240.026   87.177  241.447   93.936 -1.420822 128.1559 
1 1 1   -6   20   18 o  236.433   64.239  139.945   77.597  122.547   91.872  183.248  144.940  221.145   81.195  251.720   99.567 -30.57486 128.4770 
1 1 1   -6   20   19 o  356.378   77.347  358.987  101.157  310.034  112.786  560.314  228.729  339.201   85.292  373.555  129.055 -34.35339 154.6936 
1 1 1   -6   20   20 o  189.005   64.348 -18.5690  121.264 -38.5850  262.572 -13.1423  136.718  204.530   99.898  173.480   81.136 31.05061 128.6962 
1 1 1   -6   20   21 f  272.166  124.221  448.309  293.110  448.309  293.110   0.0000   0.0000  272.166  124.221  ?   ?       ?      ? 
1 1 1   -6   20   22 o  164.622   51.161   39.506   55.957   31.781   64.209   63.899  114.103  147.850   63.074  181.394   80.571 -33.54430 102.3229 
1 1 1   -6   20   23 o  175.666   48.477   72.862   56.859  119.453   64.629 -86.7005  119.603  210.327   68.568  141.006   68.546 69.32072 96.95415 
1 1 1   -6   20   24 o  315.919   67.075  259.569   80.137  259.569   80.137   0.0000   0.0000  315.919   67.075  ?   ?       ?      ? 
1 1 1   -6   20   25 o  381.747   55.293  577.058   61.582  599.336   63.783  270.914  236.446  536.585   30.460  226.908  106.308 309.6770 110.5856 
1 1 1   -6   20   26 o  146.560   46.807   21.509   14.896   20.469   14.979  114.810  141.917   99.562   33.037  193.558   87.592 -93.99618 93.61488 
1 1 1   -6   21    1 o  258.599   57.438  161.328   74.013  226.434   89.069   16.078  133.038  316.203   73.567  200.996   88.229 115.2071 114.8758 
1 1 1   -6   21    2 o  214.322   51.555   94.010   59.956  154.873   74.222 -20.2858  101.713  262.030   70.875  166.614   74.889 95.41631 103.1095 
1 1 1   -6   21    3 o  512.230   73.901  676.465  140.367  759.924  179.606  545.495  224.993  582.312   79.037  442.148  124.894 140.1643 147.8016 
1 1 1   -6   21    4 o  413.207   79.317  475.588  163.061  111.023  242.231  777.687  220.505  269.426  118.641  556.987  105.305 -287.5611 158.6344 
1 1 1   -6   21    5 o  397.795   90.289  449.282  149.645  507.739  291.306  428.325  174.417  391.448  144.447  404.142  108.368 -12.69452 180.5785 
1 1 1   -6   21    6 o  660.909  176.722  1612.92  464.615   0.0000   0.0000  1612.92  464.615  ?   ?   660.909  176.722      ?      ? 
1 1 1   -6   21    7 o  306.583   92.461  235.632  119.825   0.0000   0.0000  235.632  119.825  ?   ?   306.583   92.461      ?      ? 
1 1 1   -6   21    8 o  336.448  139.239  388.814  298.341  388.814  298.341   0.0000   0.0000  336.448  139.239  ?   ?       ?      ? 
1 1 1   -6   21    9 o  277.278   68.371  202.339   92.917  150.914  153.723  231.943  116.636  253.472  101.781  301.084   91.317 -47.61179 136.7414 
1 1 1   -6   21   10 o  218.919   93.638   78.095  142.182   78.095  142.182   0.0000   0.0000  218.919   93.638  ?   ?       ?      ? 
1 1 1   -6   21   11 o  184.735   57.221   29.206   62.702   68.438  147.619   20.570   69.260  215.179   93.733  154.291   65.657 60.88806 114.4414 
1 1 1   -6   21   12 o  230.648   63.033  127.220   89.354 -43.5352  178.259  184.522  103.264  194.674   91.556  266.622   86.660 -71.94847 126.0656 
1 1 1   -6   21   13 o  333.434   82.538  365.968  130.924  375.901  228.981  361.144  159.582  319.997  125.600  346.870  107.119 -26.87302 165.0750 
1 1 1   -6   21   14 o  264.555   72.922  209.255  115.003   92.336  218.857  253.854  135.168  233.443  106.848  295.667   99.266 -62.22462 145.8433 
1 1 1   -6   21   15 o  398.128  157.635  867.912  363.630  867.912  363.630   0.0000   0.0000  398.128  157.635  ?   ?       ?      ? 
1 1 1   -6   21   16 o  268.518   84.823  193.454   99.453  193.454   99.453   0.0000   0.0000  268.518   84.823  ?   ?       ?      ? 
1 1 1   -6   21   17 o  216.696   57.153   48.299   68.580 -42.9417   81.758  264.897  125.969  134.084   62.721  299.308   95.561 -165.2240 114.3057 
1 1 1   -6   21   18 o  205.285   66.048   72.519  111.479 -106.1973  268.733  109.665  122.518  199.270   98.083  211.300   88.483 -12.03046 132.0963 
1 1 1   -6   21   19 o  204.508   89.336  100.895  134.936   0.0000   0.0000  100.895  134.936  ?   ?   204.508   89.336      ?      ? 
1 1 1   -6   21   20 o  175.210   54.707   47.194   68.704   27.865   83.253   88.464  121.649  156.887   69.295  193.533   84.675 -36.64598 109.4148 
1 1 1   -6   21   21 o  157.020   65.373   46.871   66.330   46.871   66.330   0.0000   0.0000  157.020   65.373  ?   ?       ?      ? 
1 1 1   -6   21   22 o  184.843   68.321   89.182   65.222   89.182   65.222   0.0000   0.0000  184.843   68.321  ?   ?       ?      ? 
1 1 1   -6   21   23 o  146.568   48.007  -6.1355   57.176 -26.6629   66.991   48.925  109.716  121.596   56.847  171.540   77.377 -49.94361 96.01447 
1 1 1   -6   21   24 o  240.382   58.306  197.702   69.242  210.353   76.771  142.526  160.325  276.674   70.808  204.089   92.653 72.58485 116.6125 
1 1 1   -6   21   25 o  164.972   53.672   38.384   58.751   30.135   63.057   92.680  161.774  142.448   61.656  187.497   87.872 -45.04865 107.3450 
1 1 1   -6   22    1 o  192.055   56.496   55.652   63.548   66.168   71.937   18.288  135.597  186.574   71.146  197.536   87.782 -10.96169 112.9926 
1 1 1   -6   22    2 o  231.195   60.956  121.272   75.031  146.611   94.181   77.252  124.136  247.624   82.861  214.766   89.425 32.85782 121.9127 
1 1 1   -6   22    3 o  300.876   69.984  240.347   95.294  251.057  130.601  228.153  139.356  308.936   97.153  292.816  100.759 16.11938 139.9683 
1 1 1   -6   22    4 o  372.196   72.101  377.479  107.579  393.958  138.063  352.010  171.639  394.955   91.390  349.437  111.545 45.51855 144.2021 
1 1 1   -6   22    5 o  287.374   66.292  205.837   85.558  152.366  111.132  283.651  134.065  249.086   89.618  325.661   97.708 -76.57494 132.5831 
1 1 1   -6   22    6 o  423.873   75.916  507.906  126.777  558.436  171.470  446.980  188.286  461.402   98.243  386.345  115.765 75.05746 151.8328 
1 1 1   -6   22    7 o  492.098   78.275  700.435  151.306  828.990  207.147  553.398  221.536  571.172   92.935  413.025  125.981 158.1462 156.5509 
1 1 1   -6   22    8 o  170.279   77.568 -14.3480  113.594 -14.3480  113.594   0.0000   0.0000  170.279   77.568  ?   ?       ?      ? 
1 1 1   -6   22    9 o  402.306  112.949  489.069  184.600  489.069  184.600   0.0000   0.0000  402.306  112.949  ?   ?       ?      ? 
1 1 1   -6   22   10 o  189.183   86.918  -3.8820  146.716  -3.8820  146.716   0.0000   0.0000  189.183   86.918  ?   ?       ?      ? 
1 1 1   -6   22   11 o  233.169  101.320  120.142  171.617  120.142  171.617   0.0000   0.0000  233.169  101.320  ?   ?       ?      ? 
1 1 1   -6   22   12 o  233.115  104.532  109.743  196.917  109.743  196.917   0.0000   0.0000  233.115  104.532  ?   ?       ?      ? 
1 1 1   -6   22   13 o  272.004   74.080  236.036  118.359  110.578  237.188  277.635  136.579  237.510  109.626  306.498   99.666 -68.98790 148.1594 
1 1 1   -6   22   14 o  201.014   63.780   60.647   86.673 -25.4408  236.182   74.046   93.174  209.762  100.547  192.267   78.496 17.49440 127.5590 
1 1 1   -6   22   15 o  336.420  144.757  673.649  343.464  673.649  343.464   0.0000   0.0000  336.420  144.757  ?   ?       ?      ? 
1 1 1   -6   22   16 o  246.782  116.093  218.950  286.923  218.950  286.923   0.0000   0.0000  246.782  116.093  ?   ?       ?      ? 
1 1 1   -6   22   17 o  196.079   58.302   88.837   77.907  119.636   97.138   33.304  130.435  210.662   82.052  181.496   82.849 29.16580 116.6039 
1 1 1   -6   22   18 o  157.874   70.464   23.148   88.374   23.148   88.374   0.0000   0.0000  157.874   70.464  ?   ?       ?      ? 
1 1 1   -6   22   19 o  161.971   71.795   35.619   90.146   35.619   90.146   0.0000   0.0000  161.971   71.795  ?   ?       ?      ? 
1 1 1   -6   22   20 o  156.898   51.032   13.172   64.854   2.4636   76.327   40.977  122.994  140.096   63.728  173.699   79.722 -33.60297 102.0631 
1 1 1   -6   22   21 o  141.741   46.861 -12.8070   61.678  -2.8924   74.724 -34.0036  109.258  136.581   62.485  146.901   69.853 -10.31999 93.72146 
1 1 1   -6   22   22 o  165.975   54.477   5.3774   73.343 -38.3761   85.732  124.802  141.639  131.455   62.324  200.496   89.367 -69.04089 108.9531 
1 1 1   -6   22   23 o  283.193   62.967  326.571   93.401  361.302  104.766  192.036  206.194  355.138   77.750  211.247   99.067 143.8915 125.9340 
1 1 1   -6   22   24 o  166.629   56.789 -11.6688   75.978 -55.2225   83.346  202.516  184.826  122.947   59.140  210.311   96.967 -87.36353 113.5788 
1 1 1   -6   23    1 o  282.112   67.858  232.880   96.960  278.635  113.268  107.415  187.564  328.193   87.023  236.031  104.143 92.16235 135.7155 
1 1 1   -6   23    2 o  328.430   73.452  328.698  109.263  361.846  131.755  255.699  195.522  370.647   91.615  286.212  114.838 84.43484 146.9045 
1 1 1   -6   23    3 f  201.919   57.143   76.757   73.388  127.440   92.224 -10.7456  121.177  228.712   81.708  175.126   79.907 53.58563 114.2865 
1 1 1   -6   23    4 o  192.254   55.163   50.896   71.515  128.414   96.260 -44.5971  106.840  229.030   83.260  155.477   72.385 73.55307 110.3255 
1 1 1   -6   23    5 o  293.257   71.242  231.689  100.320  147.161  129.670  357.709  158.329  240.411   94.467  346.104  106.667 -105.6930 142.4849 
1 1 1   -6   23    6 o  265.905   67.547  191.017   93.975  270.211  132.964  111.975  132.837  307.881   98.166  223.930   92.811 83.95172 135.0940 
1 1 1   -6   23    7 o  329.953  106.985  332.570  157.426  332.570  157.426   0.0000   0.0000  329.953  106.985  ?   ?       ?      ? 
1 1 1   -6   23    8 o  209.428   58.459   84.901   79.734 -36.4206  126.887  164.065  102.498  169.125   78.787  249.730   86.385 -80.60439 116.9183 
1 1 1   -6   23    9 f  382.149  110.549  451.975  174.243  451.975  174.243   0.0000   0.0000  382.149  110.549  ?   ?       ?      ? 
1 1 1   -6   23   10 o  159.275   74.221 -38.3986  112.743 -38.3986  112.743   0.0000   0.0000  159.275   74.221  ?   ?       ?      ? 
1 1 1   -6   23   11 f  164.150   81.881 -309.9238  212.202 -309.9238  212.202   0.0000   0.0000  164.150   81.881  ?   ?       ?      ? 
1 1 1   -6   23   12 o  229.136   68.703  135.602  111.952 -89.3147  264.256  184.800  123.590  205.353  100.282  252.920   93.935 -47.56720 137.4056 
1 1 1   -6   23   13 o  263.448   75.148  247.282  136.343   7.7460  287.743  316.634  154.827  218.812  106.358  308.085  106.194 -89.27356 150.2969 
1 1 1   -6   23   14 o  277.024   79.693  312.674  141.486  247.680  294.900  332.109  161.258  248.245  117.059  305.803  108.172 -57.55894 159.3862 
1 1 1   -6   23   15 o  253.018  119.525  341.826  309.986  341.826  309.986   0.0000   0.0000  253.018  119.525  ?   ?       ?      ? 
1 1 1   -6   23   16 o  225.284  109.587  197.572  307.020  197.572  307.020   0.0000   0.0000  225.284  109.587  ?   ?       ?      ? 
1 1 1   -6   23   17 o  243.018   67.138  116.819   98.144 -39.4858  118.335  461.263  175.665  151.682   72.286  334.354  113.159 -182.6729 134.2761 
1 1 1   -6   23   18 o  246.181   70.074  212.271   96.558  154.666  115.963  342.500  174.359  217.360   88.006  275.001  109.069 -57.64096 140.1470 
1 1 1   -6   23   19 o  191.051   61.127   51.591   95.498 -44.8568  119.960  218.481  157.800  149.551   71.678  232.551   99.036 -83.00000 122.2536 
1 1 1   -6   23   20 o  193.252   57.374  101.114   81.014  159.976   99.963 -11.5409  138.292  222.859   84.134  163.646   78.030 59.21344 114.7484 
1 1 1   -6   23   21 o  157.350   53.886 -42.4699   87.650 -81.7718  103.322   58.416  165.540  131.173   63.753  183.527   86.893 -52.35451 107.7724 
1 1 1   -6   23   22 o  165.253   56.878 -19.2243   98.506 -55.7850  113.765   90.299  196.904  141.020   68.147  189.487   91.086 -48.46693 113.7568 
1 1 1   -6   24    1 o  376.158   96.278  577.232  182.975  524.063  258.941  630.256  258.589  355.125  135.085  397.190  137.221 -42.06549 192.5558 
1 1 1   -6   24    2 o  241.552   74.577  144.769  132.612  150.411  194.482  139.866  181.295  243.844  106.865  239.260  104.052 4.584290 149.1543 
1 1 1   -6   24    4 o  399.534  102.800  691.372  202.514  854.097  332.135  595.073  255.504  416.495  154.129  382.572  136.072 33.92297 205.5997 
1 1 1   -6   24    6 o  237.835   96.818  150.828  141.225  150.828  141.225   0.0000   0.0000  237.835   96.818  ?   ?       ?      ? 
1 1 1   -6   24    7 f  397.017   88.152  521.624  147.418  391.792  181.341  774.616  253.139  338.369  114.970  455.664  133.660 -117.2942 176.3037 
1 1 1   -6   24    8 o  243.690   66.736  151.644   93.811   69.597  124.829  258.115  142.201  199.495   86.549  287.884  101.607 -88.38855 133.4716 
1 1 1   -6   24    9 o  373.450  105.723  435.887  161.039  435.887  161.039   0.0000   0.0000  373.450  105.723  ?   ?       ?      ? 
1 1 1   -6   24   10 o  225.403   63.673  119.606   88.597   35.087  118.501  226.734  133.411  181.825   81.343  268.981   97.982 -87.15657 127.3467 
1 1 1   -6   24   11 o  138.355   66.472 -82.6972  104.552 -82.6972  104.552   0.0000   0.0000  138.355   66.472  ?   ?       ?      ? 
1 1 1   -6   24   12 o  209.256  102.483   15.501  281.965   15.501  281.965   0.0000   0.0000  209.256  102.483  ?   ?       ?      ? 
1 1 1   -6   24   13 o  207.525  101.101   54.465  264.080   54.465  264.080   0.0000   0.0000  207.525  101.101  ?   ?       ?      ? 
1 1 1   -6   24   14 o  247.705  116.589  365.380  290.083  365.380  290.083   0.0000   0.0000  247.705  116.589  ?   ?       ?      ? 
1 1 1   -6   24   15 o  280.154   83.186  468.422  177.503  279.012  309.157  561.565  216.797  227.961  110.675  332.346  124.219 -104.3853 166.3713 
1 1 1   -6   24   16 o  240.798   75.360  293.566  154.093  149.359  331.653  333.266  174.016  210.717  104.656  270.881  108.461 -60.16403 150.7203 
1 1 1   -6   24   17 o  348.634   79.917  515.010  125.375  497.773  153.357  549.749  217.712  377.863  101.739  319.405  123.273 58.45795 159.8349 
1 1 1   -6   24   18 o  217.751   64.876  100.847  104.309 -77.9836  135.984  356.480  162.583  149.417   72.739  286.085  107.445 -136.6676 129.7513 
1 1 1   -6   24   19 o  166.732   56.648 -28.1882  102.716 -107.8062  131.517   96.328  164.471  141.217   69.330  192.247   89.606 -51.03070 113.2957 
1 1 1   -6   24   20 o  179.963   59.536   62.521  106.387  105.927  122.059 -74.7063  217.026  189.784   83.860  170.143   84.531 19.64059 119.0714 
1 1 1   -6   25    1 o  260.350   70.493  207.323   96.918  211.824  110.504  192.321  201.749  272.649   89.697  248.051  108.773 24.59889 140.9862 
1 1 1   -6   25    2 o  173.755   74.210   44.200   89.067   44.200   89.067   0.0000   0.0000  173.755   74.210  ?   ?       ?      ? 
1 1 1   -6   25    3 o  316.884  100.132  310.627  138.584  310.627  138.584   0.0000   0.0000  316.884  100.132  ?   ?       ?      ? 
1 1 1   -6   25    4 o  136.361   66.050 -108.7307  108.451 -108.7307  108.451   0.0000   0.0000  136.361   66.050  ?   ?       ?      ? 
1 1 1   -6   25    5 o  197.361   88.895   57.102  144.196   57.102  144.196   0.0000   0.0000  197.361   88.895  ?   ?       ?      ? 
1 1 1   -6   25    6 f  294.879  110.499  319.157  171.770  319.157  171.770   0.0000   0.0000  294.879  110.499  ?   ?       ?      ? 
1 1 1   -6   25    7 o  206.750   91.940   93.228  148.995   93.228  148.995   0.0000   0.0000  206.750   91.940  ?   ?       ?      ? 
1 1 1   -6   25    8 o  323.767   81.310  314.631  137.710   87.022  165.507  826.751  248.261  205.237   93.546  442.298  133.020 -237.0614 162.6196 
1 1 1   -6   25    9 o  338.225   84.981  459.729  140.669  319.867  177.978  692.523  229.617  279.384  110.389  397.066  129.234 -117.6816 169.9622 
1 1 1   -6   25   10 o  280.658   72.410  270.126  113.169  115.209  149.583  477.493  173.062  206.523   91.962  354.793  111.874 -148.2708 144.8200 
1 1 1   -6   25   11 o  217.490   93.592  154.668  143.606  154.668  143.606   0.0000   0.0000  217.490   93.592  ?   ?       ?      ? 
1 1 1   -6   25   12 o  187.155   59.035   73.940   90.346   11.082  139.636  119.201  118.489  171.842   80.884  202.469   86.012 -30.62738 118.0690 
1 1 1   -6   25   13 o  210.708   93.904  148.654  156.318  148.654  156.318   0.0000   0.0000  210.708   93.904  ?   ?       ?      ? 
1 1 1   -6   25   14 o  165.947   83.347 -212.6830  238.095 -212.6830  238.095   0.0000   0.0000  165.947   83.347  ?   ?       ?      ? 
1 1 1   -6   25   15 o  194.346   96.010   31.929  265.633   31.929  265.633   0.0000   0.0000  194.346   96.010  ?   ?       ?      ? 
1 1 1   -6   25   16 o  222.645  107.966  281.070  291.870  281.070  291.870   0.0000   0.0000  222.645  107.966  ?   ?       ?      ? 
1 1 1   -6   25   17 o  194.567   64.354   93.064  133.022 -137.4426  244.569  189.903  158.520  171.153   85.751  217.980   95.982 -46.82683 128.7079 
1 1 1   -6   25   18 o  142.431   50.031 -161.2453  109.915 -325.7219  181.407 -65.8360  138.164  135.053   68.419  149.808   73.014 -14.75424 100.0613 
1 1 1   -6   26    1 o  256.037   69.954  240.858  105.631  269.175  123.849  165.286  202.326  287.623   94.975  224.451  102.733 63.17174 139.9087 
1 1 1   -6   26    2 o  227.522   64.841  167.079  100.195  226.198  117.294   7.4943  192.712  264.992   92.368  190.051   91.026 74.94151 129.6826 
1 1 1   -6   26    3 o  174.188   57.697   11.890   84.620   0.4733   96.569   49.647  175.619  154.178   70.718  194.198   91.186 -40.02075 115.3940 
1 1 1   -6   26    4 o  251.132   72.849  247.379  117.006  262.637  139.386  210.976  215.300  270.428   99.892  231.835  106.063 38.59276 145.6976 
1 1 1   -6   26    5 o  193.271   60.959   79.803   97.250  126.604  118.307 -17.7154  170.775  208.910   87.169  177.633   85.239 31.27698 121.9188 
1 1 1   -6   26    6 o  159.037   53.377 -21.7729   79.556 -38.5779   93.826   21.218  150.069  139.021   65.699  179.052   84.144 -40.03033 106.7545 
1 1 1   -6   26    7 o  238.506   69.340  179.583   95.757  115.316  113.914  334.370  176.788  201.734   84.942  275.278  109.622 -73.54343 138.6796 
1 1 1   -6   26    8 o  171.459   56.572   13.899   87.428 -20.6543  107.678   80.747  149.770  150.876   71.019  192.043   88.079 -41.16725 113.1448 
1 1 1   -6   26    9 o  281.888   79.188  356.372  127.643  277.496  163.222  480.551  204.802  255.394  104.039  308.383  119.410 -52.98882 158.3759 
1 1 1   -6   26   10 o  259.524   76.015  302.500  125.672  233.281  167.430  391.820  190.193  235.958  101.287  283.090  113.376 -47.13156 152.0300 
1 1 1   -6   26   11 f  152.867   74.691 -88.2462  147.177 -88.2462  147.177   0.0000   0.0000  152.867   74.691  ?   ?       ?      ? 
1 1 1   -6   26   12 o  218.776  105.855  229.109  276.678  229.109  276.678   0.0000   0.0000  218.776  105.855  ?   ?       ?      ? 
1 1 1   -6   26   13 o  230.023   72.827  249.881  144.407  133.222  260.665  301.539  173.457  204.968   99.984  255.078  105.916 -50.10966 145.6541 
1 1 1   -6   26   14 o  243.059   76.704  342.508  165.072  186.176  310.901  403.880  194.797  208.975  103.355  277.145  113.364 -68.17012 153.4070 
1 1 1   -6   27    1 o  165.467   55.268  -4.9262   93.220   36.731  137.893 -39.9884  126.507  176.740   82.267  154.195   73.826 22.54456 110.5355 
1 1 1   -6   27    2 o  199.849   59.081  113.462   86.366  172.027  103.082 -24.4825  158.204  230.912   85.783  168.786   81.263 62.12631 118.1626 
1 1 1   -6   27    3 o  274.424   72.662  325.179  114.940  364.621  140.408  245.051  200.126  316.728  100.864  232.119  104.622 84.60867 145.3248 
1 1 1   -6   27    4 o  216.093   66.250  152.599   95.962  128.079  112.715  217.190  182.937  204.796   85.237  227.390  101.444 -22.59479 132.5001 
1 1 1   -6   27    5 o  294.897   80.217  393.522  125.154  346.623  148.400  509.040  232.903  296.897  103.874  292.898  122.268 3.998993 160.4340 
1 1 1   -6   27    6 o  240.594   70.939  211.880  101.704  161.215  119.929  341.627  191.918  218.669   89.141  262.519  110.379 -43.85063 141.8788 
1 1 1   -6   27    7 o  234.395   68.324  152.362   97.634   42.178  117.184  402.448  176.545  171.763   78.453  297.026  111.883 -125.2630 136.6486 
1 1 1   -6   27    8 o  227.902  100.667  219.795  175.727   0.0000   0.0000  219.795  175.727  ?   ?   227.902  100.667      ?      ? 
1 1 1   -6   27   10 o  166.684   57.624 -49.4283  122.390 -94.0527  205.444 -24.8784  152.381  168.598   83.498  164.770   79.437 3.827942 115.2480 
1 1 1   -6   27   11 o  236.560   74.077  274.636  158.909 -18.4617  260.046  449.311  200.752  185.114   92.062  288.006  116.079 -102.8917 148.1542 
1 1 1   -6   27   12 o  221.252   66.313  127.491  116.160 -112.1308  159.326  399.387  169.717  150.849   74.491  291.655  109.730 -140.8063 132.6258 
1 1 1   -6   27   13 o  203.649   64.225  101.999  116.959 -119.3094  166.626  316.933  164.209  151.079   74.888  256.219  104.361 -105.1409 128.4506 
1 1 1   -6   28    1 o  166.335   56.051  -2.8290   98.889   6.5143  155.925  -9.1157  127.902  172.335   82.362  160.335   76.047 11.99997 112.1015 
1 1 1   -6   28    2 o  218.222   96.973  186.910  165.471   0.0000   0.0000  186.910  165.471  ?   ?   218.222   96.973      ?      ? 
1 1 1   -6   28    3 o  198.301   90.603  117.384  156.447   0.0000   0.0000  117.384  156.447  ?   ?   198.301   90.603      ?      ? 
1 1 1   -6   28    4 o  225.642   71.614  225.911  130.242  252.936  197.620  205.160  173.170  229.744  103.719  221.539   98.776 8.204987 143.2287 
1 1 1   -6   28    5 o  268.730   75.975  339.383  120.619  327.321  152.157  359.784  197.875  277.683  104.011  259.778  110.773 17.90561 151.9501 
1 1 1   -6   28    6 o  209.671   65.537  146.706  102.197   91.159  129.211  239.507  167.012  187.233   84.258  232.109  100.404 -44.87625 131.0740 
1 1 1   -6   28    7 o  182.749   59.496   69.898   97.687   24.949  132.356  123.681  144.778  168.173   79.028  197.324   88.958 -29.15172 118.9914 
1 1 1   -6   28    8 o  143.958   49.429 -67.6470   87.160 -97.8265  121.245 -35.3709  125.386  136.865   67.067  151.051   72.629 -14.18579 98.85779 
1 1 1   -6   28    9 o  175.135   58.263   42.322  100.277  -9.9633  131.320  115.449  155.304  157.880   75.490  192.389   88.767 -34.50877 116.5267 
1 1 1   -6   29    1 o  344.890   90.120  421.604  144.934  148.036  160.962  1593.65  333.168  199.677   91.481  490.103  155.298 -290.4263 180.2392 
1 1 1   -6   29    2 o  438.193   74.745  935.600  190.035  1619.27  274.266  304.293  263.553  658.934  106.659  217.452  104.742 441.4820 149.4895 
1 1 1   -5    0    1 o  217.056   16.087   95.060   18.786   95.060   18.786   95.060   18.786  217.056   22.751  217.056   22.751 0.000000 0.000000 
1 1 1   -5    0    2 o  1138.17   27.683  2548.51  173.418  2548.51  173.418  2548.51  173.418  1138.17   39.149  1138.17   39.149 -0.000000 0.000000 
1 1 1   -5    0    3 o  286.289   16.245  163.251   25.286  163.251   25.286  163.251   25.286  286.289   22.974  286.289   22.974 0.000000 0.000000 
1 1 1   -5    0    4 o  227.619   16.250  104.318   19.936  104.318   19.936  104.318   19.936  227.619   22.981  227.619   22.981 -0.000000 0.000000 
1 1 1   -5    0    5 o  615.469   27.874  752.106   93.789  752.106   93.789  752.106   93.789  615.469   39.420  615.469   39.420 0.000000 0.000000 
1 1 1   -5    0    6 o  416.141   17.281  342.125   39.375  342.125   39.375  342.125   39.375  416.141   24.440  416.141   24.440 0.000000 0.000000 
1 1 1   -5    0    7 o  633.466   19.766  790.025   68.797  790.025   68.797  790.025   68.797  633.466   27.954  633.466   27.954 -0.000000 0.000000 
1 1 1   -5    0    8 o  473.629   17.892  442.721   46.462  442.721   46.462  442.721   46.462  473.629   25.303  473.629   25.303 0.000000 0.000000 
1 1 1   -5    0    9 o  953.116   24.703  1791.25  129.543  1791.25  129.543  1791.25  129.543  953.116   34.935  953.116   34.935 -0.000000 0.000000 
1 1 1   -5    0   10 o  514.508   26.364  529.193   73.956  529.193   73.956  529.193   73.956  514.508   37.284  514.508   37.284 0.000000 0.000000 
1 1 1   -5    0   11 o  380.811   17.156  287.710   35.721  287.710   35.721  287.710   35.721  380.811   24.263  380.811   24.263 -0.000000 0.000000 
1 1 1   -5    0   12 o   62.329   21.742   11.241   8.9581   11.241   8.9581   11.241   8.9581   62.329   30.748   62.329   30.748 0.000000 0.000000 
1 1 1   -5    0   13 o  492.731   18.189  480.347   49.155  480.347   49.155  480.347   49.155  492.731   25.724  492.731   25.724 -0.000000 0.000000 
1 1 1   -5    0   14 o  300.216   16.760  179.871   27.371  179.871   27.371  179.871   27.371  300.216   23.703  300.216   23.703 -0.000000 0.000000 
1 1 1   -5    0   15 o  1458.54   33.930  4227.15  272.446  4227.15  272.446  4227.15  272.446  1458.54   47.984  1458.54   47.984 -0.000000 0.000000 
1 1 1   -5    0   16 o  302.001   17.010  181.906   27.936  181.906   27.936  181.906   27.936  302.001   24.055  302.001   24.055 0.000000 0.000000 
1 1 1   -5    0   17 o  250.589   26.625  131.349   34.369  131.349   34.369  131.349   34.369  250.589   37.654  250.589   37.654 0.000000 0.000000 
1 1 1   -5    0   18 o  1643.85   37.320  5362.54  337.780  5362.54  337.780  5362.54  337.780  1643.85   52.778  1643.85   52.778 0.000000 0.000000 
1 1 1   -5    0   19 o  1216.81   41.987  2960.13  280.425  2960.13  280.425  2960.13  280.425  1216.81   59.378  1216.81   59.378 -0.000000 0.000000 
1 1 1   -5    0   20 o  421.857   17.825  352.089   41.161  352.089   41.161  352.089   41.161  421.857   25.209  421.857   25.209 0.000000 0.000000 
1 1 1   -5    0   21 o  716.011   21.146  1010.57   83.228  1010.57   83.228  1010.57   83.228  716.011   29.905  716.011   29.905 0.000000 0.000000 
1 1 1   -5    0   23 o  710.234   21.208  995.082   82.792  995.082   82.792  995.082   82.792  710.234   29.993  710.234   29.993 -0.000000 0.000000 
1 1 1   -5    0   24 o  924.736   24.409  1689.09  124.175  1689.09  124.175  1689.09  124.175  924.736   34.519  924.736   34.519 0.000000 0.000000 
1 1 1   -5    0   25 o  293.171   18.737  172.674   29.747  172.674   29.747  172.674   29.747  293.171   26.499  293.171   26.499 0.000000 0.000000 
1 1 1   -5    0   26 o  477.778   19.013  452.683   49.769  452.683   49.769  452.683   49.769  477.778   26.888  477.778   26.888 -0.000000 0.000000 
1 1 1   -5    0   27 f  613.125   20.356  745.532   68.534  745.532   68.534  745.532   68.534  613.125   28.788  613.125   28.788 0.000000 0.000000 
1 1 1   -5    0   28 o  892.169   24.349  1587.03  119.482  1587.03  119.482  1587.03  119.482  892.169   34.435  892.169   34.435 0.000000 0.000000 
1 1 1   -5    0   29 o  133.856   47.791   55.646   43.756   55.646   43.756   55.646   43.756  133.856   67.586  133.856   67.586 -0.000000 0.000000 
1 1 1   -5    0   30 o  156.148   28.583   57.306   21.287   57.306   21.287   57.306   21.287  156.148   40.423  156.148   40.423 0.000000 0.000000 
1 1 1   -5    0   31 o  241.198   22.089  121.253   28.044  121.253   28.044  121.253   28.044  241.198   31.239  241.198   31.239 0.000000 0.000000 
1 1 1   -5    0   32 o  234.763   24.034  116.738   29.240  116.738   29.240  116.738   29.240  234.763   33.988  234.763   33.988 0.000000 0.000000 
1 1 1   -5    0   33 o  133.205   36.050   49.376   25.017   49.376   25.017   49.376   25.017  133.205   50.982  133.205   50.982 0.000000 0.000000 
1 1 1   -5    0   34 f  472.950   21.451  454.905   55.461  454.905   55.461  454.905   55.461  472.950   30.336  472.950   30.336 -0.000000 0.000000 
1 1 1   -5    0   35 o  520.808   21.309  551.032   60.779  551.032   60.779  551.032   60.779  520.808   30.136  520.808   30.136 0.000000 0.000000 
1 1 1   -5    0   36 o  304.299   23.975  194.450   38.984  194.450   38.984  194.450   38.984  304.299   33.906  304.299   33.906 -0.000000 0.000000 
1 1 1   -5    1    1 o  226.034   15.435   99.987   13.610  103.541   19.313   96.482   19.181  230.033   21.515  222.034   22.137 7.999023 30.86974 
1 1 1   -5    1    2 o  1055.38   26.218  2191.02  107.948  2228.68  154.918  2155.48  150.501  1064.14   37.306  1046.63   36.848 17.51233 52.43561 
1 1 1   -5    1    3 o  778.396   21.741  1187.54   65.983  1235.23   95.745  1144.40   91.060  793.229   30.930  763.562   30.560 29.66736 43.48103 
1 1 1   -5    1    4 f  770.075   30.624  1171.15   92.014  1191.75  131.652  1151.47  128.656  776.666   43.437  763.484   43.181 13.18146 61.24888 
1 1 1   -5    1    5 o  561.302   26.474  619.382   57.923  588.654   79.686  653.806   84.343  546.587   37.359  576.016   37.522 -29.42987 52.94839 
1 1 1   -5    1    6 f  605.415   19.282  719.127   45.552  713.821   63.996  724.576   64.852  603.162   27.189  607.669   27.348 -4.507141 38.56358 
1 1 1   -5    1    7 o  833.894   22.604  1367.44   73.529  1398.48  105.842  1338.48  102.223  842.990   32.174  824.798   31.759 18.19159 45.20844 
1 1 1   -5    1    8 f  632.344   19.661  785.698   48.512  797.283   69.219  774.513   68.011  636.917   27.849  627.771   27.762 9.146667 39.32279 
1 1 1   -5    1    9 o  488.073   21.868  468.336   39.346  465.580   48.242  473.811   68.000  486.760   25.397  489.386   35.606 -2.626038 43.73562 
1 1 1   -5    1   10 o  779.532   31.221  1216.04   94.951  1237.05  136.148  1196.15  132.488  785.979   44.388  773.084   43.915 12.89447 62.44101 
1 1 1   -5    1   11 o  525.423   18.411  544.627   37.750  539.640   53.244  549.667   53.530  522.994   26.088  527.853   25.987 -4.859131 36.82275 
1 1 1   -5    1   12 o  364.329   16.805  261.263   23.865  244.009   33.109  279.922   34.429  351.772   24.119  376.885   23.409 -25.11301 33.61091 
1 1 1   -5    1   13 o  390.735   17.040  300.964   25.983  299.221   36.661  302.723   36.830  389.596   24.113  391.874   24.084 -2.278015 34.08044 
1 1 1   -5    1   14 o  609.666   19.501  733.552   46.390  746.979   66.109  720.526   65.114  615.172   27.538  604.161   27.618 11.01105 39.00112 
1 1 1   -5    1   15 o  805.819   31.545  1283.52   99.198  1283.52   99.198   0.0000   0.0000  805.819   31.545  ?   ?       ?      ? 
1 1 1   -5    1   16 o  541.852   18.640  577.513   39.416  577.696   55.734  577.331   55.750  541.939   26.353  541.765   26.370 0.1736450 37.28076 
1 1 1   -5    1   17 o  569.706   27.112  642.866   60.260  629.956   84.017  656.542   86.476  563.855   38.183  575.557   38.501 -11.70197 54.22429 
1 1 1   -5    1   18 o  805.092   22.283  1276.73   69.989  1303.28  100.460  1251.68   97.562  813.187   31.657  796.998   31.368 16.18854 44.56608 
1 1 1   -5    1   19 o  837.359   28.263  1375.09   85.857  1349.85  103.422  1431.07  153.997  827.496   32.027  847.222   46.578 -19.72662 56.52659 
1 1 1   -5    1   20 o  647.099   20.083  823.223   50.689  799.813   70.334  848.522   73.116  637.561   28.269  656.636   28.533 -19.07544 40.16597 
1 1 1   -5    1   21 o  1397.22   32.822  3899.05  178.832  3820.21  247.353  3985.40  258.853  1382.85   45.836  1411.59   46.991 -28.74280 65.64379 
1 1 1   -5    1   22 o  846.455   32.770  1434.04  108.235  1415.55  151.729  1453.20  154.441  840.950   46.234  851.960   46.453 -11.01056 65.53992 
1 1 1   -5    1   23 o  747.068   21.663  1101.26   63.128  1077.55   87.736  1126.71   90.902  738.794   30.431  755.342   30.839 -16.54810 43.32552 
1 1 1   -5    1   24 o  572.128   19.421  645.289   43.358  640.505   60.969  650.184   61.671  569.994   27.410  574.261   27.520 -4.266907 38.84114 
1 1 1   -5    1   25 o  329.672   17.947  214.069   23.074  203.660   32.191  225.069   33.091  321.398   25.666  337.946   25.091 -16.54797 35.89307 
1 1 1   -5    1   26 o  531.683   19.327  559.203   40.086  544.035   55.826  575.349   57.596  524.257   27.288  539.108   27.377 -14.85132 38.65359 
1 1 1   -5    1   27 o  961.060   25.417  1857.58   95.300  1831.31  132.963  1885.33  136.662  954.268   35.705  967.852   36.183 -13.58423 50.83374 
1 1 1   -5    1   28 o  394.258   18.870  309.745   29.023  311.117   40.600  308.311   41.506  395.262   26.321  393.254   27.046 2.008026 37.73994 
1 1 1   -5    1   29 o  276.464   36.555  168.622   37.821  186.051   50.257  145.863   57.432  299.078   43.061  253.849   59.084 45.22884 73.11028 
1 1 1   -5    1   30 o  478.525   19.852  460.679   37.033  489.051   52.910  433.429   51.853  493.266   27.487  463.784   28.650 29.48285 39.70306 
1 1 1   -5    1   31 o  298.385   21.076  180.364   24.534  183.305   34.495  177.354   34.900  301.007   29.366  295.764   30.238 5.242676 42.15105 
1 1 1   -5    1   32 o  463.801   20.814  436.776   37.634  425.194   51.839  449.683   54.723  457.563   29.032  470.040   29.834 -12.47638 41.62773 
1 1 1   -5    1   33 o  231.059   28.091  115.784   24.537  100.715   35.086  130.210   34.329  212.674   43.736  249.443   35.266 -36.76872 56.18256 
1 1 1   -5    1   35 o  540.769   22.041  604.133   46.306  553.883   62.051  667.289   69.565  515.991   30.816  565.546   31.520 -49.55463 44.08117 
1 1 1   -5    1   36 o  203.604   26.520   90.318   20.255  124.671   29.834   60.944   27.588  244.130   31.316  163.079   42.807 81.05104 53.03903 
1 1 1   -5    2    1 o  471.181   17.510  432.116   32.088  482.021   47.469  390.125   43.543  496.091   24.520  446.270   25.003 49.82126 35.01944 
1 1 1   -5    2    2 o  2096.34   46.538  8751.82  378.269  9330.16  574.731  8309.83  502.433  2154.80   68.348  2037.87   63.179 116.9305 93.07512 
1 1 1   -5    2    3 o  778.274   21.679  1186.45   65.753  1241.56   96.079  1137.90   90.179  795.189   30.962  761.360   30.352 33.82837 43.35740 
1 1 1   -5    2    4 o  1663.65   54.229  5599.33  351.000  5851.37  520.955  5389.79  475.000  1696.10   78.707  1631.20   74.620 64.90833 108.4573 
1 1 1   -5    2    5 o  1029.07   25.817  2086.34  103.674  2079.61  146.282  2093.14  146.955  1027.41   36.485  1030.73   36.535 -3.324341 51.63311 
1 1 1   -5    2    6 o  608.327   19.351  726.040   45.929  740.783   65.724  711.969   64.208  614.354   27.414  602.300   27.318 12.05408 38.70141 
1 1 1   -5    2    7 o  1672.34   37.993  5592.07  247.924  5638.04  353.714  5547.67  347.600  1678.90   53.988  1665.78   53.472 13.12061 75.98672 
1 1 1   -5    2    8 o  719.790   20.933  1018.36   58.763  1053.85   84.915  985.744   81.402  731.783   29.735  707.796   29.471 23.98724 41.86569 
1 1 1   -5    2    9 o  315.390   23.302  196.378   28.668  200.464   41.269  192.568   39.853  318.530   33.201  312.251   32.706 6.279297 46.60448 
1 1 1   -5    2   10 f  619.305   19.607  755.420   47.350  785.755   68.556  727.748   65.477  631.152   27.834  607.459   27.621 23.69324 39.21306 
1 1 1   -5    2   11 o  604.274   19.447  720.851   45.834  744.596   66.140  698.913   63.575  613.808   27.612  594.741   27.392 19.06757 38.89422 
1 1 1   -5    2   12 o  492.580   18.069  478.800   34.722  495.152   49.784  463.310   48.453  500.783   25.474  484.378   25.633 16.40515 36.13884 
1 1 1   -5    2   13 o  750.670   21.568  1115.67   63.128  1159.23   91.569  1076.22   87.149  764.538   30.691  736.801   30.310 27.73688 43.13511 
1 1 1   -5    2   14 o  760.869   21.658  1145.07   64.301  1130.45   90.206  1160.17   91.682  755.951   30.578  765.786   30.679 -9.835876 43.31557 
1 1 1   -5    2   15 o  969.719   25.065  1863.92   94.841  1888.55  135.364  1840.16  132.919  975.971   35.541  963.468   35.352 12.50269 50.12965 
1 1 1   -5    2   16 o  485.018   18.049  462.426   34.162  462.623   48.314  462.230   48.311  485.121   25.521  484.914   25.530 0.2076416 36.09809 
1 1 1   -5    2   17 o  596.625   38.751  705.492   90.223  705.492   90.223   0.0000   0.0000  596.625   38.751  ?   ?       ?      ? 
1 1 1   -5    2   18 o  923.868   24.193  1684.89   87.223  1689.96  123.623  1679.87  123.082  925.244   34.238  922.492   34.190 2.751587 48.38617 
1 1 1   -5    2   19 o  828.898   22.695  1354.42   73.406  1345.88  103.131  1363.19  104.507  826.279   31.984  831.518   32.206 -5.238831 45.38953 
1 1 1   -5    2   20 o  430.774   17.712  364.524   29.770  366.735   41.839  362.258   42.369  432.123   24.811  429.424   25.283 2.699371 35.42351 
1 1 1   -5    2   21 o  722.756   25.862  1038.60   69.137  1046.93   85.388  1022.76  117.806  728.751   30.025  716.760   42.117 11.99072 51.72414 
1 1 1   -5    2   22 f  679.017   25.315  919.620   63.765  893.802  107.614  933.589   79.157  669.946   41.162  688.087   29.479 -18.14124 50.62944 
1 1 1   -5    2   23 o  1305.51   31.208  3407.24  158.946  3362.87  221.519  3454.32  228.196  1297.02   43.766  1314.00   44.502 -16.98450 62.41689 
1 1 1   -5    2   24 o  906.935   24.202  1629.10   85.577  1585.55  118.004  1677.42  124.291  894.341   33.811  919.529   34.637 -25.18750 48.40370 
1 1 1   -5    2   25 o  638.208   20.457  803.663   50.879  771.453   69.763  840.262   74.365  624.670   28.618  651.747   29.239 -27.07690 40.91353 
1 1 1   -5    2   26 o  468.730   18.881  434.513   34.522  427.051   47.983  442.520   49.706  464.618   26.464  472.842   26.938 -8.223541 37.76260 
1 1 1   -5    2   27 o  769.086   22.442  1178.87   67.217  1126.49   91.551  1240.12   99.003  750.899   31.243  787.274   32.225 -36.37531 44.88384 
1 1 1   -5    2   28 o  120.435   28.165   30.065   15.079   9.4482   31.723   36.083   17.139  109.561   45.378  131.309   33.376 -21.74839 56.33043 
1 1 1   -5    2   29 o  207.491   35.827  101.483   24.243  107.409   26.610   72.552   58.799  231.026   29.516  183.956   65.293 47.06987 71.65421 
1 1 1   -5    2   30 o  586.777   20.821  695.391   47.658  714.964   67.248  675.643   67.550  595.408   28.942  578.146   29.940 17.26288 41.64238 
1 1 1   -5    2   31 o  160.344   26.254   55.056   16.082   54.848   23.496   55.240   22.059  159.743   38.205  160.944   36.021 -1.201736 52.50894 
1 1 1   -5    2   32 o  393.242   20.723  314.833   31.733  321.719   43.800  307.224   46.040  398.377   28.174  388.107   30.398 10.26950 41.44652 
1 1 1   -5    2   33 o  100.900   26.464   15.322   13.450   28.170   23.071   8.7071   16.555  117.887   40.973   83.912   33.505 33.97464 52.92749 
1 1 1   -5    2   34 o  286.338   22.930  171.749   25.349  201.475   36.204  143.162   35.504  312.239   29.712  260.438   34.933 51.80054 45.86028 
1 1 1   -5    2   35 o  492.323   21.755  504.248   41.742  505.295   57.654  503.094   60.513  493.682   29.926  490.963   31.584 2.719360 43.50998 
1 1 1   -5    2   36 o  207.664   26.097   92.758   20.545  111.749   30.583   77.137   27.737  229.642   34.126  185.687   39.492 43.95473 52.19423 
1 1 1   -5    3    1 o  707.951   27.395  985.386   75.591  1032.49  110.298  943.664  103.801  723.816   39.049  692.086   38.433 31.72949 54.78996 
1 1 1   -5    3    2 o  1511.12   49.450  4541.38  287.289  4945.12  453.696  4271.14  371.187  1563.32   74.368  1458.92   65.197 104.3998 98.90020 
1 1 1   -5    3    3 o  348.052   23.306  237.988   31.573  262.097   45.354  215.318   43.980  365.232   31.821  330.871   34.061 34.36057 46.61269 
1 1 1   -5    3    4 o  1158.62   28.073  2645.35  126.789  2726.73  184.582  2572.65  174.459  1175.28   40.245  1141.95   39.148 33.33240 56.14516 
1 1 1   -5    3    5 o  502.951   17.999  495.579   35.310  515.094   50.787  477.321   49.126  512.532   25.392  493.370   25.516 19.16211 35.99765 
1 1 1   -5    3    6 o  1006.47   25.493  1992.49   99.947  2084.02  146.802  1913.41  136.458  1027.79   36.601  985.145   35.495 42.64954 50.98565 
1 1 1   -5    3    7 o  508.517   18.099  507.200   35.901  526.262   51.588  489.300   49.992  517.782   25.531  499.253   25.660 18.52917 36.19731 
1 1 1   -5    3    8 f  423.779   21.743  367.101   33.875  400.078   42.599  310.375   55.871  451.432   24.181  396.127   36.142 55.30515 43.48557 
1 1 1   -5    3    9 o  577.302   27.044  659.820   60.815  614.724   83.244  711.441   89.062  556.193   38.353  598.410   38.138 -42.21698 54.08763 
1 1 1   -5    3   10 o  921.121   24.293  1682.28   87.228  1751.23  127.062  1620.81  119.962  938.786   34.683  903.456   34.026 35.32965 48.58663 
1 1 1   -5    3   11 o  732.627   21.278  1062.03   60.770  1107.92   88.466  1021.02   83.622  747.495   30.327  717.760   29.854 29.73541 42.55638 
1 1 1   -5    3   12 o  382.055   16.965  287.794   25.293  285.302   35.638  290.324   35.904  380.386   24.008  383.724   23.977 -3.338623 33.93042 
1 1 1   -5    3   13 o  417.342   17.289  343.203   28.155  349.723   39.991  336.794   39.647  421.293   24.324  413.391   24.576 7.902344 34.57828 
1 1 1   -5    3   14 o  438.434   17.555  378.325   30.033  384.641   42.609  372.089   42.340  442.090   24.698  434.777   24.954 7.312531 35.10988 
1 1 1   -5    3   15 o  645.264   20.000  818.884   50.312  857.867   73.137  783.864   69.320  659.788   28.405  630.741   28.163 29.04669 40.00010 
1 1 1   -5    3   16 o  296.246   20.351  174.767   22.323  166.495   37.643  179.254   27.724  290.326   33.225  302.166   23.511 -11.83957 40.70280 
1 1 1   -5    3   17 o  768.652   26.894  1174.32   76.030  1183.23   93.345  1156.74  131.049  774.930   30.867  762.373   44.049 12.55725 53.78744 
1 1 1   -5    3   18 o  776.235   21.891  1186.15   66.283  1161.15   92.120  1212.98   95.445  767.812   30.744  784.658   31.170 -16.84558 43.78135 
1 1 1   -5    3   19 o  882.104   23.563  1534.42   81.083  1570.91  116.563  1500.22  112.865  892.211   33.478  871.997   33.168 20.21442 47.12604 
1 1 1   -5    3   20 o  454.159   18.119  404.928   32.089  395.915   44.366  414.817   46.469  448.901   25.326  459.417   25.920 -10.51620 36.23856 
1 1 1   -5    3   21 o  525.442   22.659  549.868   44.287  561.510   55.225  528.890   74.133  534.281   26.487  516.602   36.773 17.67902 45.31876 
1 1 1   -5    3   22 o  494.219   26.492  480.692   51.094   0.0000   0.0000  480.692   51.094  ?   ?   494.219   26.492      ?      ? 
1 1 1   -5    3   23 o  1257.07   37.545  3181.52  172.311  3155.35  209.475  3236.27  303.022  1256.93   42.706  1257.22   61.763 -0.2951660 75.09016 
1 1 1   -5    3   24 o  603.037   19.978  717.656   47.000  741.134   66.680  694.474   66.258  612.929   27.878  593.145   28.625 19.78436 39.95684 
1 1 1   -5    3   25 o  575.291   19.958  653.082   44.732  633.795   61.203  675.199   65.540  566.331   27.693  584.252   28.746 -17.92065 39.91506 
1 1 1   -5    3   26 o  872.334   23.967  1518.77   81.538  1492.19  113.004  1547.65  117.768  864.612   33.492  880.056   34.291 -15.44397 47.93336 
1 1 1   -5    3   27 o  396.542   18.982  312.990   29.309  323.993   40.607  301.024   42.347  404.115   25.749  388.970   27.898 15.14508 37.96478 
1 1 1   -5    3   28 f  203.037   29.322   93.213   21.476   65.761   36.677  107.536   26.492  174.385   50.798  231.689   29.301 -57.30371 58.64331 
1 1 1   -5    3   29 o  283.946   37.315  181.839   29.588  185.061   32.408  165.705   72.515  303.832   27.333  264.060   69.444 39.77133 74.62996 
1 1 1   -5    3   30 o  284.114   20.609  163.044   22.794  164.981   31.292  160.853   33.271  286.274   28.010  281.953   30.238 4.320984 41.21789 
1 1 1   -5    3   31 o  371.694   20.774  279.356   30.070  274.237   41.073  285.268   44.143  368.396   28.570  374.993   30.165 -6.596497 41.54749 
1 1 1   -5    3   32 o  319.108   22.217  209.140   27.559  218.731   37.987  198.482   40.044  327.652   29.709  310.565   33.041 17.08749 44.43335 
1 1 1   -5    3   33 o  262.906   27.049  147.228   27.411  142.997   41.665  150.456   36.396  257.725   41.427  268.088   34.790 -10.36261 54.09719 
1 1 1   -5    3   34 o  246.875   23.305  126.517   22.112  158.791   32.794   99.611   29.943  276.785   30.361  216.965   35.365 59.82045 46.60946 
1 1 1   -5    3   35 o  126.693   27.956   33.327   14.983   44.549   24.707   26.799   18.844  140.721   41.883  112.665   37.039 28.05524 55.91115 
1 1 1   -5    3   36 o  329.990   22.566  228.128   29.023  219.185   39.842  238.238   42.362  323.361   31.574  336.620   32.248 -13.25882 45.13136 
1 1 1   -5    4    1 o  309.731   23.221  188.398   28.027  203.075   40.312  174.665   38.993  321.444   32.137  298.017   33.528 23.42715 46.44247 
1 1 1   -5    4    2 o  922.915   74.741  1678.69  161.821  1946.54  516.051  1649.48  170.416  933.865  141.605  911.966   47.885 21.89929 149.4818 
1 1 1   -5    4    3 o  709.897   27.592  994.036   76.422  1013.95  109.481  975.117  106.725  716.803   39.139  702.992   38.903 13.81116 55.18416 
1 1 1   -5    4    4 o  985.771   35.009  1920.45  133.721  2028.93  203.623  1838.19  177.315  1009.26   51.700  962.281   47.218 46.97894 70.01774 
1 1 1   -5    4    5 o  855.402   27.234  1462.90   88.777  1537.95  115.642  1355.20  138.534  883.700   33.534  827.103   42.920 56.59705 54.46709 
1 1 1   -5    4    6 o  960.772   29.337  1857.01  107.913  2015.17  143.576  1651.66  163.602  1010.20   36.420  911.343   46.002 98.85944 58.67364 
1 1 1   -5    4    7 o  558.067   18.764  610.706   40.820  645.782   59.309  579.136   56.266  573.264   26.512  542.871   26.560 30.39343 37.52700 
1 1 1   -5    4    8 o  506.609   25.772  508.570   50.945  506.468   72.481  510.622   71.620  505.512   36.742  507.707   36.149 -2.195038 51.54314 
1 1 1   -5    4    9 o  770.606   21.770  1172.23   65.406  1219.62   95.080  1129.67   90.115  785.285   31.026  755.927   30.548 29.35889 43.54098 
1 1 1   -5    4   10 o  427.631   24.624  360.416   41.092   0.0000   0.0000  360.416   41.092  ?   ?   427.631   24.624      ?      ? 
1 1 1   -5    4   11 o  511.258   18.309  515.501   36.503  541.184   52.758  491.916   50.557  523.472   25.826  499.044   25.960 24.42789 36.61897 
1 1 1   -5    4   12 o  549.322   18.793  595.617   40.266  619.346   57.967  573.492   55.975  559.896   26.530  538.748   26.624 21.14819 37.58609 
1 1 1   -5    4   13 o  646.992   20.055  826.178   50.607  853.598   73.046  800.870   70.177  657.271   28.479  636.712   28.244 20.55835 40.10916 
1 1 1   -5    4   14 o  273.191   16.216  146.612   17.283  141.929   24.254  151.444   24.635  268.743   23.126  277.639   22.738 -8.895355 32.43179 
1 1 1   -5    4   15 o  599.974   19.465  708.693   45.574  708.383   64.332  709.006   64.571  599.851   27.482  600.097   27.573 -0.2461548 38.92976 
1 1 1   -5    4   16 o  358.354   25.024  255.384   34.791  278.367   48.329  230.660   50.125  375.500   32.981  341.209   37.645 34.29041 50.04885 
1 1 1   -5    4   17 o  457.680   17.964  411.145   32.074  401.171   44.677  421.753   46.075  451.964   25.331  463.395   25.479 -11.43115 35.92789 
1 1 1   -5    4   18 o  594.870   19.493  695.774   45.248  701.837   63.739  689.614   64.244  597.520   27.335  592.219   27.798 5.301086 38.98649 
1 1 1   -5    4   19 o  879.129   23.605  1524.86   80.969  1554.05  115.699  1496.84  113.352  887.364   33.411  870.893   33.353 16.47095 47.20938 
1 1 1   -5    4   20 o  594.696   28.110  696.080   65.236   0.0000   0.0000  696.080   65.236  ?   ?   594.696   28.110      ?      ? 
1 1 1   -5    4   21 o  623.994   39.337  773.581   95.788   0.0000   0.0000  773.581   95.788  ?   ?   623.994   39.337      ?      ? 
1 1 1   -5    4   22 o  351.426   17.892  242.916   24.495  243.312   33.694  242.473   35.673  351.811   24.542  351.040   26.041 0.7710266 35.78313 
1 1 1   -5    4   23 o  510.316   22.716  530.803   43.462  586.798   56.224  447.667   68.508  545.897   26.393  474.734   36.979 71.16263 45.43163 
1 1 1   -5    4   24 o  703.849   21.406  974.994   58.590  927.266   78.967  1033.44   87.388  685.000   29.541  722.698   30.986 -37.69781 42.81109 
1 1 1   -5    4   25 o  500.031   19.715  495.268   38.387  509.928   53.089  479.206   55.571  508.057   26.777  492.005   28.943 16.05200 39.43004 
1 1 1   -5    4   26 o  830.435   23.450  1365.75   75.543  1277.45  100.412  1480.90  114.670  800.341   32.150  860.529   34.147 -60.18805 46.90007 
1 1 1   -5    4   27 f  657.874   21.188  862.714   54.288  837.510   74.072  891.964   79.797  647.849   29.299  667.898   30.616 -20.04871 42.37603 
1 1 1   -5    4   28 f  518.026   51.339  568.169  103.784   0.0000   0.0000  568.169  103.784  ?   ?   518.026   51.339      ?      ? 
1 1 1   -5    4   29 o  199.367   23.171   81.801   17.565   73.340   24.629   90.560   25.058  186.930   35.050  211.805   30.316 -24.87572 46.34246 
1 1 1   -5    4   30 o  407.100   20.092  335.307   31.781  354.426   43.870  314.192   46.103  420.094   26.760  394.106   29.977 25.98788 40.18359 
1 1 1   -5    4   31 o  266.408   22.510  145.931   22.991  177.275   32.678  115.210   32.352  296.199   28.271  236.617   35.036 59.58177 45.01979 
1 1 1   -5    4   32 o  257.222   24.021  133.970   23.739  105.680   31.407  171.671   36.257  225.431   35.701  289.013   32.147 -63.58162 48.04148 
1 1 1   -5    4   33 o  423.767   30.949  371.131   51.181   0.0000   0.0000  371.131   51.181  ?   ?   423.767   30.949      ?      ? 
1 1 1   -5    4   34 f  198.923   27.666   88.526   20.816   68.252   30.457  106.298   28.515  172.386   44.847  225.460   32.409 -53.07399 55.33183 
1 1 1   -5    4   35 o  163.167   28.850   62.365   18.630   44.939   29.086   74.486   24.258  141.079   46.000  185.255   34.834 -44.17505 57.70067 
1 1 1   -5    4   36 o  397.605   21.860  329.514   33.822  365.455   49.351  297.680   46.446  418.577   30.213  376.634   31.600 41.94299 43.71947 
1 1 1   -5    5    1 o  370.361   61.808  293.785   87.917  281.259  123.612  306.608  125.067  362.057   88.284  378.666   86.528 -16.60953 123.6167 
1 1 1   -5    5    2 o  616.166   59.620  788.550   85.793  788.024   91.066  792.701  255.845  632.102   36.918  600.230  113.382 31.87244 119.2406 
1 1 1   -5    5    3 o  253.759   20.894  126.470   20.586  144.171   29.678  110.055   28.580  270.951   28.068  236.568   30.958 34.38342 41.78800 
1 1 1   -5    5    4 o  980.689   33.557  1907.37  128.174  2006.36  188.589  1822.39  174.734  1003.99   48.134  957.384   46.769 46.60925 67.11381 
1 1 1   -5    5    5 o  839.525   30.446  1390.40   99.373  1498.73  148.599  1302.76  133.654  868.664   43.836  810.386   42.263 58.27747 60.89130 
1 1 1   -5    5    6 o  1090.42   32.121  2392.50  135.270  2648.23  185.947  2105.03  197.146  1154.92   41.258  1025.93   49.242 128.9846 64.24176 
1 1 1   -5    5    7 o  382.681   90.668  323.737  133.324   0.0000   0.0000  323.737  133.324  ?   ?   382.681   90.668      ?      ? 
1 1 1   -5    5    8 o  703.649   24.506  998.821   65.601  1073.28   85.875  894.482  101.658  737.156   29.852  670.143   38.872 67.01233 49.01225 
1 1 1   -5    5    9 o  1079.63   32.118  2352.38  129.893  2358.90  162.740  2340.93  215.612  1086.67   38.376  1072.58   51.512 14.09326 64.23602 
1 1 1   -5    5   10 o  543.248   18.713  581.250   39.607  624.148   57.861  543.427   54.331  562.071   26.379  524.425   26.548 37.64587 37.42577 
1 1 1   -5    5   11 o  606.959   19.519  728.073   46.210  755.210   66.598  702.879   64.171  617.849   27.622  596.068   27.588 21.78058 39.03875 
1 1 1   -5    5   12 o  376.224   17.137  278.775   25.139  294.931   35.915  263.257   35.199  386.974   23.782  365.474   24.680 21.50021 34.27396 
1 1 1   -5    5   13 o  219.988   16.362   95.261   14.028  100.295   19.755   90.141   19.922  225.909   22.409  214.067   23.848 11.84201 32.72445 
1 1 1   -5    5   14 o  856.301   23.161  1449.86   77.389  1438.85  108.731  1461.17  110.174  853.038   32.663  859.564   32.845 -6.525696 46.32107 
1 1 1   -5    5   15 o  680.483   25.129  916.515   63.141  916.190  108.398  916.682   77.680  678.828   40.919  682.138   29.181 -3.310974 50.25879 
1 1 1   -5    5   16 o  413.295   22.595  337.302   33.402  337.990   39.971  335.709   60.810  414.876   24.689  411.713   37.849 3.162720 45.18912 
1 1 1   -5    5   17 o  527.473   18.809  546.166   38.691  531.852   53.543  561.809   55.974  520.280   26.371  534.667   26.827 -14.38715 37.61820 
1 1 1   -5    5   18 o  1122.25   35.066  2416.46  136.967  2300.16  159.185  2748.06  268.792  1078.02   37.839  1166.49   59.048 -88.47656 70.13165 
1 1 1   -5    5   19 o  283.779   17.462  157.880   19.283  154.849   26.192  161.467   28.495  280.868   23.896  286.691   25.469 -5.822754 34.92437 
1 1 1   -5    5   20 o  933.208   49.058  1745.47  178.655   0.0000   0.0000  1745.47  178.655  ?   ?   933.208   49.058      ?      ? 
1 1 1   -5    5   21 o  918.045   35.055  1668.77  125.586   0.0000   0.0000  1668.77  125.586  ?   ?   918.045   35.055      ?      ? 
1 1 1   -5    5   22 o  369.458   18.305  270.359   26.114  315.482   36.968  225.413   36.895  400.690   23.642  338.226   27.953 62.46454 36.60993 
1 1 1   -5    5   23 o  673.668   25.136  891.822   62.192  874.820   75.754  926.972  108.921  665.769   29.158  681.567   40.952 -15.79773 50.27131 
1 1 1   -5    5   24 o  436.194   19.227  376.726   32.596  394.109   44.828  357.223   47.482  447.170   25.689  425.218   28.615 21.95224 38.45398 
1 1 1   -5    5   25 o  502.529   19.887  499.401   38.860  493.789   52.644  506.121   57.602  499.714   26.996  505.344   29.209 -5.630005 39.77389 
1 1 1   -5    5   26 o  362.702   19.823  263.757   27.776  293.333   38.305  230.961   40.336  384.900   25.502  340.505   30.356 44.39490 39.64625 
1 1 1   -5    5   27 o  217.621   23.351   90.291   19.247  117.333   32.343   75.463   23.949  241.277   34.350  193.965   31.640 47.31149 46.70141 
1 1 1   -5    5   28 o  766.210   31.914  1184.95   95.424  1184.95   95.424   0.0000   0.0000  766.210   31.914  ?   ?       ?      ? 
1 1 1   -5    5   29 o  111.567   25.910   24.869   12.914   23.583   20.424   25.725   16.669  111.132   38.555  112.002   34.625 -0.8699341 51.82077 
1 1 1   -5    5   30 o  196.505   23.710   80.281   17.661   70.507   25.060   89.925   24.893  182.298   36.500  210.712   30.273 -28.41353 47.42046 
1 1 1   -5    5   31 o  408.818   20.605  339.009   32.773  341.918   44.776  335.652   48.097  411.349   27.894  406.287   30.336 5.061737 41.21041 
1 1 1   -5    5   32 o  412.527   23.077  355.329   36.270  375.035   47.419  327.545   56.305  429.252   28.308  395.803   36.453 33.44931 46.15369 
1 1 1   -5    5   33 o  236.475   29.589  119.031   25.141  134.213   44.194  111.767   30.569  241.914   48.502  231.036   33.905 10.87833 59.17783 
1 1 1   -5    5   34 o  271.386   23.315  154.532   24.679  149.933   35.033  159.062   34.771  267.000   33.623  275.772   32.310 -8.771973 46.63061 
1 1 1   -5    5   35 o   84.853   24.779   8.0678   12.121  -1.1140   25.373   10.782   13.797   87.714   38.516   81.992   31.183 5.721802 49.55703 
1 1 1   -5    5   36 o  231.287   26.116  117.143   22.563  111.684   34.735  121.128   29.678  222.530   41.526  240.044   31.682 -17.51402 52.23186 
1 1 1   -5    6    1 o  794.320  101.040  1476.08  301.682  1467.10  425.871  1485.13  427.419  791.632  143.123  797.008  142.661 -5.376099 202.0804 
1 1 1   -5    6    2 o  840.735  103.744  1659.15  333.592  1617.57  468.151  1702.03  475.475  822.681  151.401  858.790  141.876 -36.10925 207.4872 
1 1 1   -5    6    3 o  339.400   44.569  252.681   39.911  259.027   43.152  215.126  104.971  362.764   30.482  316.036   83.763 46.72842 89.13708 
1 1 1   -5    6    4 o  478.921   52.736  497.472   61.854  504.095   66.300  453.002  171.800  505.433   33.614  452.410   99.973 53.02286 105.4725 
1 1 1   -5    6    5 o  607.818   61.831  834.908   94.792  854.733  102.637  719.883  247.222  656.096   40.087  559.540  116.985 96.55585 123.6625 
1 1 1   -5    6    6 o  407.489   93.716  370.327  145.918   0.0000   0.0000  370.327  145.918  ?   ?   407.489   93.716      ?      ? 
1 1 1   -5    6    7 f  175.331   25.618   62.446   17.266   76.314   24.745   49.288   24.104  196.325   32.299  154.337   39.772 41.98727 51.23510 
1 1 1   -5    6    8 o  339.171   19.120  240.524   23.820  296.906   31.607  166.404   36.239  388.716   20.836  289.625   32.064 99.09155 38.23921 
1 1 1   -5    6    9 o  390.482   94.490  355.999  142.429   0.0000   0.0000  355.999  142.429  ?   ?   390.482   94.490      ?      ? 
1 1 1   -5    6   10 o  649.782   23.739  857.345   58.577  930.737   76.760  755.009   90.641  685.508   28.694  614.056   37.825 71.45190 47.47747 
1 1 1   -5    6   11 o  842.128   27.265  1436.29   86.974  1499.70  111.971  1339.84  138.097  868.629   33.032  815.628   43.387 53.00085 54.53053 
1 1 1   -5    6   12 o  478.191   21.579  459.888   38.730  482.800   49.253  422.769   62.692  495.044   25.495  461.339   34.822 33.70529 43.15791 
1 1 1   -5    6   13 o  360.744   17.158  255.346   24.128  241.501   33.285  270.676   35.026  350.452   24.338  371.035   24.190 -20.58310 34.31519 
1 1 1   -5    6   14 o  511.949   22.400  512.534   42.353  532.625   73.390  502.502   51.860  518.470   36.273  505.427   26.293 13.04239 44.80006 
1 1 1   -5    6   15 o  760.452   26.887  1164.83   75.911  1212.08   95.010  1081.40  126.235  784.084   31.051  736.821   43.902 47.26355 53.77311 
1 1 1   -5    6   16 o  370.687   17.105  270.067   24.693  289.771   34.917  250.354   34.926  384.311   23.282  357.063   25.065 27.24890 34.20992 
1 1 1   -5    6   17 o  253.905   16.927  127.444   16.646  139.615   22.993  114.039   24.131  266.846   22.080  240.964   25.662 25.88203 33.85414 
1 1 1   -5    6   18 o  1247.77   37.523  3096.82  168.993  3050.46  203.008  3201.45  304.983  1239.24   41.978  1256.31   62.208 -17.07324 75.04684 
1 1 1   -5    6   19 o  466.846   21.942  439.643   38.269  468.720   48.614  392.268   62.053  488.398   25.507  445.295   35.709 43.10330 43.88361 
1 1 1   -5    6   20 o  1308.16   44.398  3415.51  226.649   0.0000   0.0000  3415.51  226.649  ?   ?   1308.16   44.398      ?      ? 
1 1 1   -5    6   21 o  511.862   30.187  516.942   60.297   0.0000   0.0000  516.942   60.297  ?   ?   511.862   30.187      ?      ? 
1 1 1   -5    6   22 o  337.417   19.245  225.448   25.160  236.426   34.149  212.413   37.210  346.672   25.242  328.161   29.056 18.51129 38.48948 
1 1 1   -5    6   23 o  250.852   20.668  125.429   19.823  130.751   25.912  117.919   30.778  257.661   25.771  244.044   32.318 13.61760 41.33511 
1 1 1   -5    6   24 o  656.120   32.168  854.133   82.363   0.0000   0.0000  854.133   82.363  ?   ?   656.120   32.168      ?      ? 
1 1 1   -5    6   25 o  176.697   24.019   63.520   16.114   47.062   22.195   81.866   23.433  150.314   37.859  203.081   29.569 -52.76698 48.03724 
1 1 1   -5    6   26 o  697.192   26.696  995.654   70.895  903.286  109.765  1061.77   92.862  666.106   42.227  728.278   32.675 -62.17169 53.39215 
1 1 1   -5    6   27 o  208.360   22.146   87.514   17.933   93.574   24.921   81.007   25.826  216.196   29.538  200.525   33.004 15.67143 44.29168 
1 1 1   -5    6   28 o  324.743   45.240  249.734   35.796  253.417   38.062  221.533  105.325  355.671   27.423  293.815   86.225 61.85651 90.48032 
1 1 1   -5    6   29 o  400.193   21.169  326.528   32.704  352.159   44.389  296.100   48.366  418.742   27.164  381.645   32.475 37.09747 42.33818 
1 1 1   -5    6   30 o  145.116   26.848   44.590   15.228   49.354   23.585   41.186   19.941  151.330   39.511  138.902   36.362 12.42824 53.69662 
1 1 1   -5    6   31 o  388.595   22.574  305.812   33.470  294.373   42.734  323.963   53.832  380.995   28.743  396.196   34.818 -15.20099 45.14883 
1 1 1   -5    6   32 o  212.955   32.171  103.926   24.551   90.736   44.094  109.853   29.556  195.612   55.302  230.298   32.887 -34.68581 64.34196 
1 1 1   -5    6   33 o  336.813   28.564  249.692   35.628  225.866   58.377  263.835   44.976  317.944   47.050  355.682   32.403 -37.73779 57.12838 
1 1 1   -5    6   34 o  126.300   26.221   35.759   16.592  -2.0168   27.705   56.885   20.718   90.716   40.026  161.884   33.883 -71.16759 52.44150 
1 1 1   -5    6   35 o  106.919   27.275   22.894   14.155   10.875   27.986   27.025   16.408  101.716   42.415  112.122   34.302 -10.40640 54.54969 
1 1 1   -5    6   36 o  259.312   23.397  139.883   23.347  158.984   36.916  127.151   30.140  272.765   34.681  245.859   31.414 26.90631 46.79364 
1 1 1   -5    7    1 o  199.158   45.253   79.492   39.908   82.310   56.548   76.696   56.329  201.848   63.982  196.469   64.012 5.378952 90.50535 
1 1 1   -5    7    2 o  680.851  128.929  1087.50  330.016   0.0000   0.0000  1087.50  330.016  ?   ?   680.851  128.929      ?      ? 
1 1 1   -5    7    3 o  189.689   62.229   71.202   53.201   0.0000   0.0000   71.202   53.201  ?   ?   189.689   62.229      ?      ? 
1 1 1   -5    7    4 o  341.375   45.751  251.484   43.896  255.696   48.006  229.994  108.425  359.415   34.227  323.336   84.859 36.07843 91.50182 
1 1 1   -5    7    5 o  562.935   58.241  677.675   77.418  676.834   82.388  684.024  226.318  583.779   36.165  542.091  110.726 41.68750 116.4822 
1 1 1   -5    7    6 o  503.807   55.922  567.537   68.198  574.696   73.048  518.937  190.332  537.756   34.809  469.859  106.290 67.89728 111.8445 
1 1 1   -5    7    7 o  490.264   23.398  476.717   44.721  502.939   64.906  453.018   61.706  503.081   33.061  477.446   33.118 25.63492 46.79592 
1 1 1   -5    7    8 o  455.004   23.773  412.116   42.204  422.851   60.172  401.722   59.212  460.879   33.456  449.129   33.783 11.74969 47.54597 
1 1 1   -5    7    9 o  406.185   23.659  328.249   37.470  347.599   53.741  309.942   52.272  417.948   32.949  394.421   33.961 23.52744 47.31795 
1 1 1   -5    7   10 o  845.211   27.197  1452.10   87.952  1586.45  117.262  1279.32  132.982  893.079   33.646  797.342   42.738 95.73651 54.39323 
1 1 1   -5    7   11 o  648.055   23.702  848.016   58.200  905.412   75.494  763.929   91.377  677.041   28.574  619.070   37.824 57.97015 47.40363 
1 1 1   -5    7   12 o  552.003   22.367  617.651   46.638  679.122   60.853  530.149   72.603  587.204   26.556  516.802   36.000 70.40131 44.73469 
1 1 1   -5    7   13 o  151.384   26.984   48.271   15.892   54.088   20.533   39.580   25.097  162.508   33.492  140.261   42.318 22.24698 53.96767 
1 1 1   -5    7   14 o  446.268   22.598  394.288   36.350  396.455   43.799  389.490   65.158  449.214   24.985  443.323   37.663 5.891602 45.19698 
1 1 1   -5    7   15 f  162.195   25.890   64.134   15.476   78.584   18.032   23.739   30.149  200.137   23.089  124.254   46.347 75.88268 51.77916 
1 1 1   -5    7   16 o  580.068   23.470  654.246   49.902  636.659   60.540  691.521   88.137  569.110   27.259  591.026   38.214 -21.91559 46.94001 
1 1 1   -5    7   17 o  363.860   23.372  222.274   27.281  197.306   30.167  334.346   63.915  317.047   24.383  410.674   39.881 -93.62732 46.74456 
1 1 1   -5    7   18 o  641.367   28.422  809.473   71.138  809.473   71.138   0.0000   0.0000  641.367   28.422  ?   ?       ?      ? 
1 1 1   -5    7   19 o  547.757   22.968  591.007   46.664  587.906   57.599  596.930   79.600  546.668   27.000  548.847   37.165 -2.179077 45.93689 
1 1 1   -5    7   20 o  625.851   26.141  777.519   61.748  773.716  100.860  779.799   78.093  623.326   41.464  628.376   31.846 -5.049683 52.28251 
1 1 1   -5    7   21 o  722.676   32.306  1032.40   91.108   0.0000   0.0000  1032.40   91.108  ?   ?   722.676   32.306      ?      ? 
1 1 1   -5    7   22 o  353.703   19.202  248.827   26.248  272.807   35.967  221.505   38.391  372.398   24.750  335.007   29.366 37.39124 38.40454 
1 1 1   -5    7   23 f  699.206   21.957  960.027   59.487  907.620   78.760  1029.63   90.767  677.561   29.787  720.852   32.266 -43.29089 43.91311 
1 1 1   -5    7   24 o  465.888   31.110  430.752   56.560   0.0000   0.0000  430.752   56.560  ?   ?   465.888   31.110      ?      ? 
1 1 1   -5    7   25 o  423.521   31.030  357.246   51.285   0.0000   0.0000  357.246   51.285  ?   ?   423.521   31.030      ?      ? 
1 1 1   -5    7   26 o  250.720   22.874  124.126   22.147  139.299   34.479  113.467   28.897  263.310   33.554  238.130   31.097 25.18016 45.74829 
1 1 1   -5    7   27 o  276.069   47.417  147.930   29.087  143.751   30.107  206.504  112.713  267.890   28.799  284.249   90.355 -16.35944 94.83360 
1 1 1   -5    7   28 o  249.800   21.853  125.411   21.245  115.793   28.839  136.826   31.416  239.392   30.870  260.208   30.938 -20.81596 43.70538 
1 1 1   -5    7   29 f  227.832   22.344  105.793   19.693  122.130   27.997   89.794   27.705  245.970   29.167  209.694   33.857 36.27538 44.68800 
1 1 1   -5    7   30 o  505.409   37.702  529.468   74.359   0.0000   0.0000  529.468   74.359  ?   ?   505.409   37.702      ?      ? 
1 1 1   -5    7   31 o  368.016   22.736  281.504   32.111  305.577   43.061  251.351   48.193  387.943   28.444  348.089   35.478 39.85406 45.47277 
1 1 1   -5    7   32 o  368.808   28.075  287.726   38.623  300.228   65.164  280.956   47.955  370.299   45.094  367.317   33.455 2.982330 56.14903 
1 1 1   -5    7   33 o  142.598   26.928   37.326   14.800   71.227   27.365   23.309   17.596  178.653   40.220  106.542   35.815 72.11039 53.85531 
1 1 1   -5    7   34 o  139.673   27.573   37.508   14.866   63.636   27.327   26.526   17.716  167.565   41.901  111.780   35.853 55.78510 55.14627 
1 1 1   -5    7   35 o  206.700   28.515   97.451   22.005   79.347   33.823  110.737   28.975  183.885   46.967  229.516   32.350 -45.63113 57.02958 
1 1 1   -5    8    1 o  610.240   86.241  890.038  198.182  915.166  282.236  865.599  278.348  619.818  121.028  600.661  122.890 19.15717 172.4810 
1 1 1   -5    8    2 o  392.654   65.498  348.215   98.739  357.362  140.217  339.218  139.067  398.164   92.078  387.145   93.174 11.01892 130.9954 
1 1 1   -5    8    3 o  495.399   75.221  573.144  141.083  565.396  198.994  580.976  200.054  491.626  106.779  499.171  105.975 -7.544434 150.4411 
1 1 1   -5    8    4 o  643.634   92.484  1040.70  224.304  967.423  311.182  1119.95  323.610  616.611  133.213  670.657  128.324 -54.04620 184.9670 
1 1 1   -5    8    5 o  261.280   39.341  147.296   29.956  149.957   32.710  133.463   74.589  275.078   30.471  247.482   72.542 27.59535 78.68197 
1 1 1   -5    8    6 o  358.346   46.685  281.465   43.987  284.556   47.492  262.813  116.659  378.404   32.161  338.287   87.656 40.11685 93.36973 
1 1 1   -5    8    7 o  564.761   60.588  710.742   80.446  711.697   85.709  703.675  233.165  596.568   36.816  532.953  115.448 63.61493 121.1762 
1 1 1   -5    8    8 o  507.967   57.483  592.119   70.692  601.249   75.802  531.175  195.840  548.955   35.385  466.979  109.385 81.97601 114.9661 
1 1 1   -5    8    9 o  185.573   38.169   62.049   23.902   56.238   26.286   89.794   57.440  164.326   41.097  206.821   64.332 -42.49484 76.33843 
1 1 1   -5    8   10 o  781.073   29.555  1209.13   89.595  1341.19  135.609  1106.84  119.354  818.228   42.470  743.919   41.113 74.30878 59.11011 
1 1 1   -5    8   11 o  374.579   20.631  284.548   28.703  305.590   36.304  249.464   46.877  394.290   23.594  354.868   33.850 39.42188 41.26131 
1 1 1   -5    8   13 o  780.016   27.220  1217.87   78.365  1242.47   96.894  1171.34  133.243  793.662   31.285  766.370   44.553 27.29156 54.43961 
1 1 1   -5    8   14 o  616.808   23.474  765.310   54.408  811.344   69.517  692.527   87.411  642.268   27.736  591.347   37.879 50.92139 46.94744 
1 1 1   -5    8   15 o  546.007   22.894  588.550   45.976  590.041   56.359  585.582   79.493  548.002   26.354  544.013   37.444 3.989380 45.78897 
1 1 1   -5    8   16 o  794.439   26.900  1259.93   79.489  1286.00   99.121  1212.95  133.056  807.852   31.441  781.027   43.655 26.82440 53.79906 
1 1 1   -5    8   17 o  293.042   43.203  219.661   29.343  230.413   30.847  117.393   95.136  342.696   23.066  243.387   83.271 99.30882 86.40673 
1 1 1   -5    8   18 o  724.062   29.988  1033.10   84.733  1033.10   84.733   0.0000   0.0000  724.062   29.988  ?   ?       ?      ? 
1 1 1   -5    8   19 o  409.568   30.262  332.538   46.771  327.349   58.881  341.411   76.993  406.325   37.134  412.811   47.793 -6.486053 60.52377 
1 1 1   -5    8   20 o  451.307   33.557  474.797   45.574  530.475   52.341  300.289   92.665  519.280   25.829  383.334   61.945 135.9462 67.11411 
1 1 1   -5    8   21 o  676.007   28.084  845.840   63.534  790.687   72.057  1038.49  134.672  633.105   29.165  718.909   48.003 -85.80499 56.16888 
1 1 1   -5    8   22 o  734.787   54.929  1098.25  157.505   0.0000   0.0000  1098.25  157.505  ?   ?   734.787   54.929      ?      ? 
1 1 1   -5    8   23 o  399.862   20.236  318.276   31.232  333.530   41.849  299.099   46.923  411.193   26.080  388.531   30.948 22.66199 40.47142 
1 1 1   -5    8   24 o  242.809   21.005  116.718   19.865  112.557   27.093  121.556   29.212  238.217   29.145  247.401   30.257 -9.183929 42.01047 
1 1 1   -5    8   25 o  657.477   33.020  865.266   84.721   0.0000   0.0000  865.266   84.721  ?   ?   657.477   33.020      ?      ? 
1 1 1   -5    8   26 f  139.025   24.341   40.056   13.108   45.754   19.635   35.476   17.605  147.761   34.653  130.289   34.194 17.47136 48.68292 
1 1 1   -5    8   27 o  675.096   38.175  829.829   68.188  779.684   72.558  1208.95  199.507  622.621   29.863  727.570   70.267 -104.9488 76.34932 
1 1 1   -5    8   28 o  557.646   33.963  634.053   73.909   0.0000   0.0000  634.053   73.909  ?   ?   557.646   33.963      ?      ? 
1 1 1   -5    8   29 o  652.530   35.097  873.418   89.371   0.0000   0.0000  873.418   89.371  ?   ?   652.530   35.097      ?      ? 
1 1 1   -5    8   30 o  341.661   22.470  237.778   29.625  234.654   39.011  242.032   45.532  340.110   29.392  343.211   33.996 -3.101746 44.94014 
1 1 1   -5    8   31 o  131.528   32.691   32.156   16.177   36.516   44.247   31.484   17.380  141.625   55.318  121.430   34.853 20.19487 65.38214 
1 1 1   -5    8   32 o  206.108   35.605  100.899   25.855   89.360   53.903  104.347   29.466  188.900   62.670  223.317   33.812 -34.41689 71.20972 
1 1 1   -5    8   33 f  455.387   22.208  432.963   39.343  447.480   54.226  416.828   57.168  464.823   29.894  445.950   32.850 18.87311 44.41616 
1 1 1   -5    8   34 o  473.275   30.380  465.650   56.110  465.650   56.110   0.0000   0.0000  473.275   30.380  ?   ?       ?      ? 
1 1 1   -5    8   35 o  131.599   29.376   39.922   16.722   27.873   31.046   44.846   19.848  120.994   46.592  142.204   35.792 -21.20967 58.75257 
1 1 1   -5    9    1 o  685.314  101.491  1255.38  262.713  1304.94  375.681  1207.94  367.519  700.776  142.234  669.853  144.814 30.92322 202.9822 
1 1 1   -5    9    2 o  571.396   85.216  812.443  184.033  859.411  263.901  767.980  256.770  589.821  118.762  552.970  122.240 36.85126 170.4324 
1 1 1   -5    9    3 o  643.400   95.901  1087.42  233.193  1050.46  326.760  1125.79  332.896  630.393  136.759  656.406  134.480 -26.01245 191.8017 
1 1 1   -5    9    4 o  365.684   64.269  310.187   91.347  300.840  128.647  319.692  129.728  359.688   91.450  371.680   90.326 -11.99133 128.5372 
1 1 1   -5    9    5 f  335.416   61.418  258.605   81.046  265.103  115.025  252.198  114.213  339.803   86.515  331.030   87.199 8.773376 122.8356 
1 1 1   -5    9    6 o  272.275   37.795  188.656   31.096  211.962   34.926   99.518   68.302  327.392   27.337  217.157   70.475 110.2346 75.59093 
1 1 1   -5    9    7 o  304.940   42.421  222.582   36.870  237.022   40.573  154.126   88.340  345.868   30.060  264.012   79.338 81.85669 84.84157 
1 1 1   -5    9    8 o  264.207   37.813  176.831   30.603  198.605   34.277   91.295   67.939  317.133   27.697  211.282   70.371 105.8512 75.62580 
1 1 1   -5    9    9 o  332.876   44.647  231.798   40.345  231.682   43.665  232.470  105.494  342.005   32.716  323.748   83.085 18.25763 89.29408 
1 1 1   -5    9   10 o  923.045  136.265  2469.97  474.930  2557.52  679.762  2386.49  663.825  941.636  191.508  904.454  193.901 37.18243 272.5305 
1 1 1   -5    9   11 o  511.182   34.939  517.260   69.697  517.260   69.697   0.0000   0.0000  511.182   34.939  ?   ?       ?      ? 
1 1 1   -5    9   12 o  343.089   23.894  232.866   31.948  244.274   44.898  221.165   45.470  351.746   32.709  334.432   34.841 17.31461 47.78839 
1 1 1   -5    9   13 o  306.999   20.813  186.922   22.855  189.042   27.413  182.090   41.389  310.436   22.629  303.561   34.939 6.875092 41.62660 
1 1 1   -5    9   14 o  505.721   22.171  456.152   39.594  400.092   45.864  620.171   78.450  451.286   26.043  560.156   35.888 -108.8694 44.34200 
1 1 1   -5    9   15 f  260.663   20.350   96.674   16.991   73.264   18.632  212.296   41.408  193.184   24.715  328.143   32.336 -134.9585 40.69930 
1 1 1   -5    9   16 o  841.451   76.961  1579.70  113.827  1584.68  117.756  1508.78  444.391  895.992   33.678  786.910  150.192 109.0816 153.9218 
1 1 1   -5    9   17 o  561.646   28.452  618.797   61.938  562.713   81.971  693.426   94.558  532.534   39.444  590.759   41.016 -58.22473 56.90474 
1 1 1   -5    9   18 o  256.222   36.435  153.110   33.878  193.717   42.271   80.186   56.648  312.931   34.615  199.513   64.123 113.4187 72.86940 
1 1 1   -5    9   19 o  616.172   27.886  727.666   57.050  704.148   64.897  807.654  119.686  597.926   27.813  634.417   48.343 -36.49109 55.77299 
1 1 1   -5    9   20 o  1024.39   33.646  1726.11  106.115  1524.35  115.724  2791.85  265.970  877.533   33.793  1171.25   58.190 -293.7146 67.29117 
1 1 1   -5    9   21 o  481.401   29.330  459.648   44.035  457.595   49.229  467.864   98.496  482.037   26.170  480.765   52.499 1.272125 58.66053 
1 1 1   -5    9   22 o  547.118   29.218  542.673   49.159  510.518   54.061  696.247  118.146  508.653   27.235  585.583   51.701 -76.93027 58.43602 
1 1 1   -5    9   23 o  355.087   41.630  273.945   36.595  277.151   39.235  252.501  101.480  374.467   26.849  335.707   78.811 38.75967 83.25911 
1 1 1   -5    9   24 o  349.760   42.196  218.404   39.552  202.381   42.332  328.497  110.965  318.066   34.105  381.455   77.193 -63.38849 84.39194 
1 1 1   -5    9   25 o  271.843   44.380  128.765   26.848  122.681   27.841  209.486  101.414  248.055   28.761  295.632   83.971 -47.57646 88.75964 
1 1 1   -5    9   26 o  324.541   51.907  256.970   37.360  259.712   38.818  222.499  137.614  360.488   27.594  288.594  100.080 71.89420 103.8147 
1 1 1   -5    9   27 o  245.567   45.055  159.852   30.829  166.744   31.992   70.189  115.388  288.052   28.460  203.082   85.498 84.97040 90.11066 
1 1 1   -5    9   28 o  199.413   45.765   80.031   24.643   80.711   25.185   64.737  119.380  199.204   32.398  199.622   85.604 -0.4190826 91.52925 
1 1 1   -5    9   29 o  317.737   29.431  204.367   36.492  204.367   36.492   0.0000   0.0000  317.737   29.431  ?   ?       ?      ? 
1 1 1   -5    9   30 o  250.813   51.734  140.589   32.799  138.697   33.687  175.051  143.786  259.691   33.241  241.934   97.982 17.75645 103.4672 
1 1 1   -5    9   31 o  245.243   35.178  138.288   28.903  130.948   57.109  140.816   33.512  229.962   62.156  260.524   32.963 -30.56218 70.35551 
1 1 1   -5    9   32 o  229.796   24.397  108.026   20.890  146.590   33.018   82.285   26.976  265.309   31.890  194.283   36.930 71.02591 48.79346 
1 1 1   -5    9   33 o  279.464   22.496  158.890   24.095  207.657   37.214  123.692   31.616  316.384   30.141  242.543   33.403 73.84167 44.99182 
1 1 1   -5    9   34 o  172.816   29.206   69.892   19.398   55.494   30.812   79.346   24.967  154.444   46.956  191.187   34.743 -36.74316 58.41174 
1 1 1   -5    9   35 o  339.648   23.759  245.391   31.441  230.602   44.451  260.197   44.476  328.492   34.676  350.803   32.489 -22.31085 47.51762 
1 1 1   -5   10    1 o  659.817   98.526  1162.13  245.708  1249.47  354.658  1081.53  340.727  687.688  136.968  631.946  141.666 55.74231 197.0518 
1 1 1   -5   10    2 o  297.284   57.549  199.772   68.718  196.263   97.012  203.305   97.351  294.649   81.584  299.918   81.190 -5.269775 115.0985 
1 1 1   -5   10    3 o  365.125   64.016  308.051   90.807  323.258  129.341  293.269  127.520  374.678   89.658  355.572   91.399 19.10547 128.0327 
1 1 1   -5   10    4 o  309.372   58.541  216.215   72.123  204.646  101.378  228.071  102.627  300.839   83.435  317.904   82.138 -17.06543 117.0816 
1 1 1   -5   10    5 f  130.101   34.092   27.436   23.030   24.388   32.580   30.480   32.559  126.816   47.994  133.387   48.433 -6.570900 68.18479 
1 1 1   -5   10    6 o  370.607   64.045  312.191   91.840  318.516  130.311  305.948  129.457  374.582   90.220  366.633   90.926 7.948425 128.0909 
1 1 1   -5   10    7 o  273.921   41.647  155.482   33.544  155.334   36.627  156.249   83.535  279.907   33.532  267.934   76.247 11.97266 83.29465 
1 1 1   -5   10    8 o  447.518   69.900  453.930  118.853  483.759  170.161  425.514  166.080  463.197   97.235  431.839  100.446 31.35837 139.8005 
1 1 1   -5   10    9 o  555.582  112.683  712.027  235.951  712.027  235.951   0.0000   0.0000  555.582  112.683  ?   ?       ?      ? 
1 1 1   -5   10   10 o  554.813   58.772  787.084   85.172  862.477   94.672  466.943  195.084  659.718   36.773  449.909  111.643 209.8093 117.5434 
1 1 1   -5   10   11 o  385.749   46.973  337.246   49.074  351.081   53.763  268.143  120.155  421.742   32.667  349.756   88.083 71.98651 93.94546 
1 1 1   -5   10   12 o  888.269   82.536  1873.71  171.934  1918.71  184.536  1577.57  473.379  979.961   48.255  796.578  157.862 183.3830 165.0727 
1 1 1   -5   10   13 o  436.922   49.689  411.947   56.475  418.396   61.164  374.661  147.074  460.400   34.043  413.444   93.364 46.95587 99.37730 
1 1 1   -5   10   14 o  425.901   50.841  440.081   45.047  454.598   47.396  304.387  144.904  481.154   25.242  370.647   98.499 110.5064 101.6817 
1 1 1   -5   10   15 o  179.861   32.482   79.784   18.123   86.939   19.185   20.509   55.220  210.496   23.356  149.226   60.620 61.27020 64.96406 
1 1 1   -5   10   16 f  434.838   27.855  380.745   46.221  468.643   65.157  291.710   65.577  486.994   34.285  382.682   43.912 104.3127 55.71084 
1 1 1   -5   10   17 o  482.731   46.340  465.880   87.296   0.0000   0.0000  465.880   87.296  ?   ?   482.731   46.340      ?      ? 
1 1 1   -5   10   18 o  575.812   28.547  658.715   54.396  657.910   62.248  661.315  111.881  578.026   27.596  573.598   49.982 4.427856 57.09442 
1 1 1   -5   10   19 o  644.003   27.773  700.534   56.582  625.270   62.310  1054.36  135.102  563.245   28.348  724.760   47.768 -161.5153 55.54627 
1 1 1   -5   10   20 o  701.001   28.889  790.073   61.410  696.533   66.651  1315.69  157.994  594.221   28.743  807.781   50.121 -213.5593 57.77720 
1 1 1   -5   10   21 o  288.462   38.420  162.343   32.529  156.899   35.697  188.991   78.976  281.403   32.507  295.521   69.626 -14.11774 76.84041 
1 1 1   -5   10   22 o  511.286   36.197  580.597   54.382  611.775   60.818  456.221  121.472  556.267   28.016  466.306   66.753 89.96146 72.39425 
1 1 1   -5   10   23 f  643.764   59.934  867.778  150.568   0.0000   0.0000  867.778  150.568  ?   ?   643.764   59.934      ?      ? 
1 1 1   -5   10   24 o  443.975   65.547  513.306   77.459  529.756   83.209  406.467  212.057  510.248   41.789  377.702  124.256 132.5465 131.0944 
1 1 1   -5   10   25 o  259.621   52.862  128.998   26.754  127.422   27.199  175.923  148.443  252.718   27.579  266.524  102.064 -13.80618 105.7248 
1 1 1   -5   10   26 o  171.176   45.632   41.374   19.641   40.066   19.988   77.991  105.777  137.662   36.583  204.690   83.610 -67.02797 91.26307 
1 1 1   -5   10   27 o  290.475   48.912  205.730   34.625  207.760   36.139  183.006  120.907  321.124   28.838  259.825   93.477 61.29886 97.82459 
1 1 1   -5   10   28 o  176.233   49.942   47.908   21.211   48.331   21.383   21.896  167.704  150.373   36.750  202.093   92.878 -51.71994 99.88464 
1 1 1   -5   10   29 f  231.566   48.384   86.704   26.153   79.568   26.930  205.081  109.681  193.227   37.062  269.905   89.390 -76.67838 96.76861 
1 1 1   -5   10   30 o  171.283   48.213   61.284   49.110   83.931   54.581 -34.9931  112.538  187.304   63.078  155.261   72.932 32.04250 96.42574 
1 1 1   -5   10   31 f  210.443   37.574  134.442   33.147  157.365   35.741  -6.5114   88.628  274.590   33.354  146.295   67.340 128.2955 75.14774 
1 1 1   -5   10   32 o  216.178   40.597  113.773   29.403  114.324   32.010  110.801   74.392  232.357   35.301  199.999   73.119 32.35837 81.19475 
1 1 1   -5   10   33 o  145.262   41.214   35.183   25.268   32.038   26.803   60.298   75.743  123.892   44.071  166.633   69.657 -42.74090 82.42789 
1 1 1   -5   10   34 o  108.480   37.576 -25.3155   21.315 -29.1821   22.030   31.308   84.304   63.026   30.339  153.933   68.755 -90.90730 75.15157 
1 1 1   -5   11    1 o  187.314   43.924   70.303   37.464   73.185   53.022   67.430   52.943  190.072   62.113  184.555   62.124 5.517807 87.84872 
1 1 1   -5   11    2 o  217.230   48.030   99.001   45.246  104.439   64.189   93.630   63.788  222.124   67.826  212.336   68.024 9.788345 96.06052 
1 1 1   -5   11    3 o  158.555   39.269   46.497   30.011   44.544   42.367   48.464   42.517  156.513   55.437  160.597   55.632 -4.084045 78.53774 
1 1 1   -5   11    4 o  544.550   79.676  697.835  163.732  723.123  233.447  673.352  229.701  555.435  111.575  533.665  113.772 21.77094 159.3526 
1 1 1   -5   11    5 o  269.057   76.432  156.969   84.017  156.969   84.017   0.0000   0.0000  269.057   76.432  ?   ?       ?      ? 
1 1 1   -5   11    6 o  458.476  100.331  476.627  174.521  476.627  174.521   0.0000   0.0000  458.476  100.331  ?   ?       ?      ? 
1 1 1   -5   11    7 o  667.783  129.292  1065.41  324.754  1065.41  324.754   0.0000   0.0000  667.783  129.292  ?   ?       ?      ? 
1 1 1   -5   11    8 f  194.215   44.410   74.649   38.881   57.423   54.726   92.206   55.249  177.712   63.000  210.719   62.611 -33.00780 88.82100 
1 1 1   -5   11    9 o  354.951   44.156  289.142   44.445  305.781   49.323  217.286  102.499  393.636   32.109  316.266   82.269 77.37051 88.31263 
1 1 1   -5   11   10 o  1122.78  110.285  2995.88  252.025  2988.87  264.580  3064.46  827.933  1217.91   55.669  1027.65  213.430 190.2634 220.5706 
1 1 1   -5   11   11 o  973.331   92.822  2231.31  197.324  2253.90  209.116  2047.80  596.046  1061.12   50.500  885.544  178.642 175.5746 185.6430 
1 1 1   -5   11   12 o  373.911   48.150  312.222   49.852  323.305   54.640  257.167  121.780  404.646   34.602  343.177   89.870 61.46979 96.30090 
1 1 1   -5   11   13 o  334.842   44.675  218.050   43.117  211.210   47.091  253.518  107.235  326.777   36.928  342.907   81.361 -16.12915 89.34960 
1 1 1   -5   11   14 o  443.375   52.163  462.168   65.036  493.488   72.492  332.984  147.224  499.351   37.201  387.398   97.468 111.9525 104.3257 
1 1 1   -5   11   15 o  572.883   58.988  677.765   86.161  671.114   92.602  720.646  235.135  581.226   40.827  564.541  110.687 16.68494 117.9764 
1 1 1   -5   11   16 o  285.942   41.374  171.533   27.432  172.383   28.829  163.393   89.190  296.178   24.943  275.707   78.899 20.47049 82.74801 
1 1 1   -5   11   17 o  639.044   29.044  804.917   72.430  804.917   72.430   0.0000   0.0000  639.044   29.044  ?   ?       ?      ? 
1 1 1   -5   11   18 f  305.429   46.727  229.383   34.161  238.592   35.930  142.719  110.226  348.161   26.445  262.696   89.633 85.46506 93.45315 
1 1 1   -5   11   19 o  184.675   36.219   72.735   20.629   76.074   21.814   44.462   63.471  196.411   28.460  172.940   66.612 23.47133 72.43706 
1 1 1   -5   11   20 o  273.847   42.786  179.180   45.420  233.325   56.428   79.545   76.546  341.443   42.349  206.250   74.358 135.1935 85.57158 
1 1 1   -5   11   21 o  928.318   59.018  1777.12  213.801   0.0000   0.0000  1777.12  213.801  ?   ?   928.318   59.018      ?      ? 
1 1 1   -5   11   22 o  777.157   36.332  1040.70   95.354  871.074  107.292  1678.21  208.005  657.094   41.842  897.221   59.408 -240.1268 72.66369 
1 1 1   -5   11   23 o  335.339   46.830  244.003   35.719  243.794   37.534  246.004  116.278  350.418   27.448  320.260   89.548 30.15717 93.65974 
1 1 1   -5   11   24 o  326.067   27.210  211.747   34.623  211.747   34.623   0.0000   0.0000  326.067   27.210  ?   ?       ?      ? 
1 1 1   -5   11   25 o  465.043   38.852  420.847   46.225  406.990   49.170  526.205  135.582  450.904   27.944  479.182   72.505 -28.27783 77.70393 
1 1 1   -5   11   26 o  406.137   51.478  398.716   67.987  411.177   79.173  363.724  132.673  441.777   45.924  370.497   92.147 71.27982 102.9563 
1 1 1   -5   11   27 o  247.188   53.204  138.590   29.264  139.303   29.649  111.662  182.258  262.756   28.915  231.620  102.404 31.13622 106.4081 
1 1 1   -5   11   28 o  166.161   41.499   52.676   21.151   53.465   21.742   38.751   91.343  158.230   36.020  174.093   74.774 -15.86374 82.99758 
1 1 1   -5   11   29 o  262.413   54.312  173.980   55.810  162.187   66.520  202.017  102.569  257.299   65.945  267.527   86.316 -10.22800 108.6238 
1 1 1   -5   11   30 o  158.809   48.740   25.025   49.402   6.5772   57.314   78.345   97.441  130.572   57.592  187.047   78.648 -56.47482 97.48031 
1 1 1   -5   11   31 o  223.874   38.193  151.938   33.585  175.913   36.855   34.530   81.558  290.250   32.539  157.499   69.110 132.7513 76.38639 
1 1 1   -5   11   32 o  225.379   36.491  162.755   34.251  195.905   37.675   4.8456   82.226  306.465   31.502  144.293   65.833 162.1722 72.98193 
1 1 1   -5   11   33 f  286.303   42.391  269.357   41.760  307.651   46.190   97.974   97.717  384.104   30.816  188.502   78.984 195.6018 84.78225 
1 1 1   -5   11   34 o  182.984   33.430  101.391   35.846  143.266   38.257 -199.7846  102.599  256.655   38.197  109.312   54.875 147.3438 66.86028 
1 1 1   -5   12    1 o  595.323   74.111  740.055  172.175  740.055  172.175   0.0000   0.0000  595.323   74.111  ?   ?       ?      ? 
1 1 1   -5   12    2 o  370.193   89.451  304.597  127.783  304.597  127.783   0.0000   0.0000  370.193   89.451  ?   ?       ?      ? 
1 1 1   -5   12    3 o  323.899   83.666  230.382  106.499  230.382  106.499   0.0000   0.0000  323.899   83.666  ?   ?       ?      ? 
1 1 1   -5   12    4 o  682.901   92.710  1115.23  238.033  1167.78  340.969  1065.26  332.452  700.497  129.502  665.305  132.702 35.19135 185.4201 
1 1 1   -5   12    5 o  569.320   80.268  743.472  172.069  766.448  245.099  721.143  241.623  578.927  112.543  559.713  114.482 19.21344 160.5368 
1 1 1   -5   12    6 o  605.441   83.602  845.054  190.432  831.536  268.284  858.782  270.350  600.012  118.782  610.869  117.677 -10.85675 167.2037 
1 1 1   -5   12    7 o  409.640   66.163  370.492  103.451  363.867  145.988  377.173  146.616  405.675   94.048  413.604   93.085 -7.929047 132.3251 
1 1 1   -5   12    8 o  390.968   64.641  335.619   96.867  326.548  136.675  344.773  137.309  385.284   92.144  396.651   90.683 -11.36670 129.2825 
1 1 1   -5   12    9 o  444.481   68.944  435.914  116.325  414.322  163.676  457.950  165.353  432.320   99.131  456.643   95.845 -24.32309 137.8883 
1 1 1   -5   12   10 o  585.409   57.508  883.797   97.989  1068.18  116.203  430.002  182.302  733.876   40.575  436.942  107.622 296.9334 115.0166 
1 1 1   -5   12   11 o  625.805   61.399  797.162   92.118  787.404   97.936  872.045  271.303  630.284   39.818  621.326  116.164 8.957581 122.7987 
1 1 1   -5   12   12 o  694.391  130.017  1121.20  339.371   0.0000   0.0000  1121.20  339.371  ?   ?   694.391  130.017      ?      ? 
1 1 1   -5   12   13 o  270.551   30.710  147.692   31.846  329.209   49.343   18.108   41.691  408.710   30.937  132.392   53.061 276.3178 61.42081 
1 1 1   -5   12   14 o  337.262   42.858  295.922   46.330  366.079   54.900  122.359   86.351  430.620   32.670  243.903   79.245 186.7168 85.71539 
1 1 1   -5   12   15 o  341.782   42.075  302.573   48.706  416.123   60.823   99.612   81.317  458.751   33.975  224.813   76.986 233.9387 84.14951 
1 1 1   -5   12   16 o  593.685   62.133  769.423   92.370  774.053   99.416  740.194  249.808  623.582   40.854  563.787  117.359 59.79504 124.2666 
1 1 1   -5   12   17 o  457.370   27.544  412.056   49.162  412.056   49.162   0.0000   0.0000  457.370   27.544  ?   ?       ?      ? 
1 1 1   -5   12   18 o  503.081   54.856  538.041   54.603  538.002   56.884  538.493  194.787  522.430   27.901  483.731  106.105 38.69949 109.7126 
1 1 1   -5   12   19 o  534.544   56.281  574.107   57.149  567.708   59.202  661.566  218.864  536.353   28.285  532.736  108.951 3.617554 112.5627 
1 1 1   -5   12   20 o  168.597   70.500   20.982   77.621   0.0000   0.0000   20.982   77.621  ?   ?   168.597   70.500      ?      ? 
1 1 1   -5   12   21 o  590.409  136.889  939.104  309.254   0.0000   0.0000  939.104  309.254  ?   ?   590.409  136.889      ?      ? 
1 1 1   -5   12   22 o  279.098   51.770  147.190   29.574  144.579   30.301  199.633  135.811  269.704   28.790  288.491   99.458 -18.78705 103.5409 
1 1 1   -5   12   23 o  699.252   30.804  978.365   84.057  978.365   84.057   0.0000   0.0000  699.252   30.804  ?   ?       ?      ? 
1 1 1   -5   12   24 o  410.340   63.466  434.612   49.536  436.878   50.962  395.788  210.905  467.395   27.940  353.284  123.818 114.1112 126.9318 
1 1 1   -5   12   25 o  276.814   49.186  185.906   32.685  187.993   33.846  157.020  125.890  305.925   28.350  247.704   94.198 58.22119 98.37138 
1 1 1   -5   12   26 f  305.123   58.183  228.037   35.714  227.782   36.322  235.449  196.018  336.552   27.656  273.694  113.033 62.85721 116.3667 
1 1 1   -5   12   27 o  200.838   36.509  117.265   27.817  133.449   29.290 -31.6250   88.840  256.902   29.216  144.775   66.917 112.1272 73.01716 
1 1 1   -5   12   28 o  132.047   41.528  -8.7333   45.021   25.663   58.433 -58.9815   70.625  145.402   61.009  118.692   56.358 26.70940 83.05591 
1 1 1   -5   12   29 o  179.531   49.945   72.292   51.129   79.028   65.527   61.810   81.748  182.988   68.312  176.074   72.878 6.914001 99.88902 
1 1 1   -5   12   30 o  337.219   76.031  308.649   97.665   0.0000   0.0000  308.649   97.665  ?   ?   337.219   76.031      ?      ? 
1 1 1   -5   12   31 o  251.859   42.223  172.993   33.512  180.923   36.375  128.482   86.177  294.536   31.647  209.183   78.291 85.35324 84.44540 
1 1 1   -5   12   32 o  206.100   39.900  120.369   30.824  130.304   32.774   44.252   90.717  248.588   33.785  163.611   72.296 84.97696 79.80039 
1 1 1   -5   12   33 o  168.768   35.954   82.718   32.480  108.174   34.293 -139.0281  101.216  219.126   41.626  118.409   58.636 100.7173 71.90862 
1 1 1   -5   13    1 o  427.065   56.870  391.664   87.620  401.391  108.285  373.218  149.118  443.997   62.497  410.133   95.030 33.86374 113.7392 
1 1 1   -5   13    2 o  479.035   71.776  512.635  130.010  528.521  184.949  497.117  182.793  487.056  100.635  471.015  102.370 16.04044 143.5516 
1 1 1   -5   13    3 o  712.131   94.740  1201.71  253.610  1178.83  356.796  1225.07  360.552  704.465  134.695  719.797  133.267 -15.33221 189.4809 
1 1 1   -5   13    4 o  300.117   56.808  194.394   67.865  198.006   96.217  190.818   95.735  302.841   80.161  297.394   80.516 5.446533 113.6154 
1 1 1   -5   13    5 o  306.439   57.342  202.714   69.664  211.517   99.095  194.113   97.953  312.942   80.641  299.935   81.543 13.00723 114.6832 
1 1 1   -5   13    6 o  416.843   66.512  381.818  105.636  397.116  150.516  366.968  148.294  425.609   93.205  408.078   94.913 17.53140 133.0247 
1 1 1   -5   13    7 o  272.273   54.355  157.618   60.307  166.413   86.287  149.219   84.322  279.210   76.794  265.337   76.946 13.87302 108.7103 
1 1 1   -5   13    8 o  755.255   98.718  1349.74  280.233  1339.50  395.730  1360.05  396.890  751.939  140.013  758.570  139.203 -6.630737 197.4362 
1 1 1   -5   13    9 o  625.711   84.809  891.642  199.541  870.166  281.030  913.478  283.372  617.139  121.016  634.282  118.851 -17.14331 169.6180 
1 1 1   -5   13   10 o  618.011  118.759  869.059  276.007   0.0000   0.0000  869.059  276.007  ?   ?   618.011  118.759      ?      ? 
1 1 1   -5   13   11 o  342.702   46.702  266.065   53.810  294.139   63.580  195.186  101.024  384.707   42.350  300.698   83.252 84.00891 93.40429 
1 1 1   -5   13   12 o  540.619   56.536  691.584   83.324  736.217   92.627  502.285  190.760  609.290   38.957  471.948  106.149 137.3425 113.0721 
1 1 1   -5   13   13 o  851.985   81.265  1652.94  157.302  1662.64  167.212  1578.26  463.810  911.810   46.993  792.161  155.587 119.6487 162.5292 
1 1 1   -5   13   14 o  548.184   57.829  713.253   86.640  757.823   96.337  524.712  198.144  617.428   39.983  478.940  108.526 138.4884 115.6570 
1 1 1   -5   13   15 o  682.830   68.692  1042.07  115.516  1051.23  124.218  983.481  314.155  725.512   43.874  640.147  130.190 85.36456 137.3841 
1 1 1   -5   13   16 o  237.958   49.576  120.251   47.798  124.726   58.635  111.388   82.521  242.488   61.787  233.429   77.547 9.058685 99.15233 
1 1 1   -5   13   17 o  357.242   47.306  256.412   65.950  256.412   65.950   0.0000   0.0000  357.242   47.306  ?   ?       ?      ? 
1 1 1   -5   13   18 o  660.095   30.352  861.433   78.185  861.433   78.185   0.0000   0.0000  660.095   30.352  ?   ?       ?      ? 
1 1 1   -5   13   19 f  614.022   57.420  686.633   83.352  655.664   87.430  995.564  276.139  572.661   39.123  655.382  107.969 -82.72107 114.8391 
1 1 1   -5   13   20 o  683.503   58.816  799.606   72.013  772.550   73.796  1339.38  329.614  623.867   30.312  743.139  113.659 -119.2718 117.6314 
1 1 1   -5   13   22 o  453.707   28.208  410.070   49.944  410.070   49.944   0.0000   0.0000  453.707   28.208  ?   ?       ?      ? 
1 1 1   -5   13   23 o  288.516   54.074  163.534   29.956  160.655   30.564  233.738  150.937  283.595   27.618  293.437  104.562 -9.841461 108.1473 
1 1 1   -5   13   24 o  407.976   66.505  489.879   84.422  512.878   91.371  355.707  220.690  493.139   47.480  322.814  124.246 170.3255 133.0094 
1 1 1   -5   13   25 o  378.660   64.395  329.727   43.616  324.543   44.522  453.296  217.351  401.481   28.417  355.841  125.615 45.64014 128.7894 
1 1 1   -5   13   26 o  179.373   52.482   44.237   21.287   44.025   21.437   59.207  180.063  143.395   37.781  215.351   97.930 -71.95622 104.9649 
1 1 1   -5   13   27 o  194.938   61.524   42.812   59.750   32.107   62.757  146.541  195.354  152.944   63.625  236.931  105.323 -83.98706 123.0485 
1 1 1   -5   13   28 o  153.875   43.658   10.208   51.644   95.053   63.266 -159.2313   89.406  196.937   67.883  110.813   54.916 86.12355 87.31499 
1 1 1   -5   13   29 o  264.586   44.991  180.926   34.181  183.693   36.424  160.503   98.947  298.007   31.320  231.165   84.356 66.84151 89.98259 
1 1 1   -5   13   30 o  242.999   41.637  177.490   33.802  191.252   36.095   79.401   96.367  303.712   30.455  182.286   77.506 121.4264 83.27480 
1 1 1   -5   13   31 o  227.637   41.055  157.195   34.077  171.151   36.225   49.861  100.460  285.832   32.476  169.443   75.414 116.3887 82.10954 
1 1 1   -5   13   32 o  255.461   91.539  232.781  115.836   0.0000   0.0000  232.781  115.836  ?   ?   255.461   91.539      ?      ? 
1 1 1   -5   13   33 o  328.586   43.621  109.621   30.484   83.496   31.254  620.491  138.205  190.324   43.083  466.848   75.861 -276.5239 87.24110 
1 1 1   -5   14    1 f  742.683   80.533  1243.86  212.465  1287.37  263.450  1162.90  359.337  783.265   86.190  702.101  136.064 81.16449 161.0654 
1 1 1   -5   14    2 f  696.698   77.230  1095.81  191.089  1161.36  238.531  978.374  319.267  746.562   81.874  646.833  130.974 99.73004 154.4593 
1 1 1   -5   14    3 o  430.716   66.780  405.999  109.279  356.528  151.355  459.872  157.945  401.344   97.583  460.088   91.192 -58.74377 133.5610 
1 1 1   -5   14    4 o  746.945   97.610  1316.23  274.040  1323.73  388.262  1308.79  386.843  749.271  137.867  744.618  138.217 4.652466 195.2206 
1 1 1   -5   14    5 o  500.783   73.276  556.393  138.474  578.411  197.664  535.173  194.049  511.298  102.632  490.268  104.613 21.02979 146.5513 
1 1 1   -5   14    6 o  798.367  146.971  1532.19  441.024   0.0000   0.0000  1532.19  441.024  ?   ?   798.367  146.971      ?      ? 
1 1 1   -5   14    7 o  275.015   77.613  161.117   86.928   0.0000   0.0000  161.117   86.928  ?   ?   275.015   77.613      ?      ? 
1 1 1   -5   14    8 o  754.762  139.748  1352.10  396.452   0.0000   0.0000  1352.10  396.452  ?   ?   754.762  139.748      ?      ? 
1 1 1   -5   14    9 o   52.791   18.305  -6.3033   5.2131 -16.1241   21.227  -5.6730   5.3778   71.540   32.940   34.043   15.976 37.49728 36.60942 
1 1 1   -5   14   10 o  158.237   41.284   40.753   33.330   44.418   51.326   38.080   43.828  164.185   60.623  152.290   56.056 11.89491 82.56726 
1 1 1   -5   14   11 o  457.517   51.089  493.336   69.562  539.554   79.596  343.900  143.125  521.410   39.118  393.623   94.394 127.7868 102.1788 
1 1 1   -5   14   12 o  580.291   60.976  769.463   95.328  795.712  104.853  644.352  228.912  631.999   42.514  528.584  114.302 103.4147 121.9523 
1 1 1   -5   14   13 o  194.770   46.242   74.431   41.736   84.905   56.640   61.988   61.735  203.791   63.963  185.749   66.799 18.04190 92.48416 
1 1 1   -5   14   14 f  133.884   39.817   6.8356   34.689   14.548   54.936   1.7213   44.735  144.268   59.731  123.499   52.666 20.76867 79.63324 
1 1 1   -5   14   15 o  454.525   57.129  487.248   77.856  521.043   88.098  366.736  166.362  510.385   44.232  398.666  105.348 111.7185 114.2571 
1 1 1   -5   14   16 o  330.202   52.080  242.559   62.403  260.379   74.963  202.337  112.619  358.400   53.598  302.004   89.312 56.39651 104.1601 
1 1 1   -5   14   17 o  298.838   69.765  201.140   93.535  165.752  160.707  219.270  115.026  285.441  106.898  312.236   89.674 -26.79550 139.5298 
1 1 1   -5   14   18 o  444.043   86.173  512.856  158.990  378.159  244.514  611.519  209.269  382.069  133.352  506.017  109.181 -123.9479 172.3464 
1 1 1   -5   14   19 o  591.364   30.072  694.161   69.399  694.161   69.399   0.0000   0.0000  591.364   30.072  ?   ?       ?      ? 
1 1 1   -5   14   20 o  239.303   27.871  113.684   26.028  113.684   26.028   0.0000   0.0000  239.303   27.871  ?   ?       ?      ? 
1 1 1   -5   14   21 o  263.260   48.253  123.401   25.824  119.838   26.472  193.524  117.425  245.367   27.646  281.154   92.462 -35.78625 96.50677 
1 1 1   -5   14   22 o  396.853   64.195  373.223   77.476  363.136   84.762  424.449  191.007  414.141   52.447  379.565  117.188 34.57593 128.3891 
1 1 1   -5   14   23 o  390.430   67.177  370.806   78.936  356.358   85.299  456.954  208.290  407.014   53.703  373.845  123.155 33.16943 134.3545 
1 1 1   -5   14   24 f  324.259   59.046  250.057   37.682  248.487   38.457  287.820  188.632  351.493   28.037  297.026  114.715 54.46771 118.0913 
1 1 1   -5   14   25 o  166.415   49.584   38.324   19.245   38.922   19.359 -11.6946  177.099  135.244   36.032  197.586   92.390 -62.34161 99.16726 
1 1 1   -5   14   26 o  186.127   59.870   31.526   63.278   26.584   66.846   74.146  196.318  152.754   64.733  219.499  100.735 -66.74481 119.7407 
1 1 1   -5   14   27 o  279.155   58.608  192.819   35.184  191.928   35.584  231.763  235.381  306.859   29.716  251.452  113.387 55.40703 117.2166 
1 1 1   -5   14   28 o  203.114   55.209   76.672   26.224   75.904   26.386  138.519  236.782  186.910   37.480  219.317  103.863 -32.40685 110.4182 
1 1 1   -5   14   29 o  268.218   59.776  171.920   33.852  168.436   34.144  373.406  259.640  285.048   30.695  251.388  115.545 33.66016 119.5529 
1 1 1   -5   14   30 o  145.140   48.862   23.270   20.219   23.880   20.291 -62.5655  240.769  109.050   38.393  181.229   89.867 -72.17922 97.72488 
1 1 1   -5   14   31 o  253.319   54.554  179.554   41.654  178.169   42.439  215.965  217.593  287.790   37.788  218.848  102.356 68.94125 109.1089 
1 1 1   -5   14   32 o  233.023   47.712  156.737   33.046  158.743   33.651  102.442  175.077  274.987   31.358  191.059   90.124 83.92786 95.42359 
1 1 1   -5   15    1 o  776.356   98.230  1410.70  291.337  1509.16  422.814  1321.70  401.998  809.755  133.802  742.956  143.851 66.79858 196.4591 
1 1 1   -5   15    2 o  373.475   89.515  304.507  128.764   0.0000   0.0000  304.507  128.764  ?   ?   373.475   89.515      ?      ? 
1 1 1   -5   15    3 o  254.483   74.477  136.454   78.676   0.0000   0.0000  136.454   78.676  ?   ?   254.483   74.477      ?      ? 
1 1 1   -5   15    4 o  598.935   81.885  811.614  184.404  862.412  264.894  763.848  256.865  618.878  113.878  578.991  117.695 39.88702 163.7695 
1 1 1   -5   15    5 f  378.775   63.541  313.526   92.628  286.241  129.639  341.983  132.396  361.025   91.808  396.525   87.871 -35.49966 127.0825 
1 1 1   -5   15    6 o  367.661   62.682  295.012   88.946  318.955  127.982  272.642  123.706  382.564   87.611  352.758   89.670 29.80624 125.3649 
1 1 1   -5   15    7 o  302.876   58.001  198.437   70.252  193.582  100.118  203.146   98.601  299.233   82.889  306.519   81.154 -7.285828 116.0021 
1 1 1   -5   15    8 o  531.046   77.016  637.558  154.250  630.441  218.200  644.669  218.086  527.589  109.564  534.503  108.266 -6.914612 154.0316 
1 1 1   -5   15    9 o  224.896   51.357  103.334   51.376   95.442   76.242  109.899   69.533  219.892   74.548  229.900   70.661 -10.00720 102.7150 
1 1 1   -5   15   10 o  404.627   68.148  365.812  106.002  370.364  153.175  361.628  146.844  406.435   97.767  402.819   94.964 3.615784 136.2958 
1 1 1   -5   15   11 o  326.603   63.370  233.298   82.863  263.251  125.008  209.821  110.669  344.146   91.502  309.060   87.695 35.08569 126.7401 
1 1 1   -5   15   12 o  490.517   56.539  555.560   86.291  597.426   99.750  431.056  172.018  545.998   46.815  435.036  102.931 110.9622 113.0775 
1 1 1   -5   15   13 o  365.154   52.812  298.636   68.753  326.238   83.525  240.632  121.080  401.728   53.279  328.579   91.202 73.14883 105.6244 
1 1 1   -5   15   14 o  667.739   69.316  1005.58  122.530  1016.48  133.677  948.267  306.494  710.971   48.181  624.507  129.991 86.46307 138.6325 
1 1 1   -5   15   15 o  161.180   48.571   6.3239   40.711   48.003  101.348  -1.6954   44.455  201.794   82.067  120.566   51.977 81.22842 97.14252 
1 1 1   -5   15   16 o  574.595   90.898  827.225  198.794  773.942  286.974  876.383  275.644  549.432  134.847  599.759  121.926 -50.32745 181.7954 
1 1 1   -5   15   17 o  288.934   74.223  184.716   84.132  184.716   84.132   0.0000   0.0000  288.934   74.223  ?   ?       ?      ? 
1 1 1   -5   15   18 o  603.590   48.558  744.198  114.376  744.198  114.376   0.0000   0.0000  603.590   48.558  ?   ?       ?      ? 
1 1 1   -5   15   19 o  224.262   55.321  107.380   57.695  110.886   70.313  100.155  100.937  224.494   71.365  224.030   84.550 0.4645386 110.6426 
1 1 1   -5   15   20 o  340.037   55.482  305.950   72.862  368.349   87.150  161.050  132.804  418.767   53.329  261.307   97.310 157.4597 110.9647 
1 1 1   -5   15   21 o  198.814   45.017   80.296   23.962   82.038   24.472   39.755  118.056  202.025   31.041  195.603   84.514 6.422913 90.03381 
1 1 1   -5   15   22 o  197.331   48.393   67.544   21.681   67.150   21.976   81.906  132.643  179.667   32.542  214.995   91.152 -35.32887 96.78695 
1 1 1   -5   15   23 o  210.558   52.994   60.125   20.793   57.693   21.004  179.148  146.938  165.629   33.644  255.488  100.507 -89.85851 105.9886 
1 1 1   -5   15   24 o  428.841   69.767  566.531   94.822  587.611  102.986  449.182  242.991  521.936   50.563  335.746  130.051 186.1906 139.5343 
1 1 1   -5   15   25 o  301.695   60.749  284.957   81.147  315.144   87.715  105.749  213.720  373.001   60.261  230.390  105.501 142.6111 121.4982 
1 1 1   -5   15   26 o  293.996   59.015  225.727   37.937  225.309   38.446  241.192  233.888  332.643   29.617  255.348  114.253 77.29494 118.0294 
1 1 1   -5   15   27 o  364.069   67.965  469.068   93.320  473.397   98.973  434.385  280.121  453.160   55.967  274.979  123.874 178.1807 135.9303 
1 1 1   -5   15   28 o  234.190  110.769  279.983  267.750   0.0000   0.0000  279.983  267.750  ?   ?   234.190  110.769      ?      ? 
1 1 1   -5   15   29 o  273.736   55.703  220.344   38.729  219.865   39.118  243.993  275.077  325.181   30.826  222.291  107.057 102.8898 111.4062 
1 1 1   -5   15   30 o  203.013   53.259   91.909   30.679   91.286   30.941  128.277  236.323  202.115   40.638  203.911   98.462 -1.795517 106.5181 
1 1 1   -5   15   31 o  215.047   47.625  124.744   31.698  126.592   32.166   62.647  186.452  244.441   33.720  185.652   89.082 58.78917 95.25018 
1 1 1   -5   16    1 o  456.038   58.025  437.440   95.691  428.933  117.915  453.849  163.766  458.307   65.930  453.770   95.504 4.537231 116.0506 
1 1 1   -5   16    2 o  623.924   70.552  863.163  157.619  900.110  196.889  797.229  263.018  658.693   76.596  589.154  118.506 69.54004 141.1048 
1 1 1   -5   16    3 o  678.365   75.678  1052.89  183.394  1161.89  233.561  877.614  296.165  745.999   80.229  610.731  128.343 135.2679 151.3560 
1 1 1   -5   16    4 o  518.837   58.435  493.954  107.890  361.432  127.468  828.733  202.599  409.153   82.678  628.521   82.601 -219.3678 116.8700 
1 1 1   -5   16    5 o  518.606   75.390  605.697  147.470  551.323  205.002  664.011  212.299  491.998  109.583  545.213  103.568 -53.21484 150.7807 
1 1 1   -5   16    6 o  576.991   81.489  764.277  177.058  777.848  251.969  751.040  248.855  582.404  114.945  571.579  115.541 10.82452 162.9788 
1 1 1   -5   16    7 o  461.210   71.463  477.208  125.048  508.042  180.464  448.730  173.435  476.327  100.257  446.093  101.865 30.23398 142.9267 
1 1 1   -5   16    8 o  260.696   56.196  144.685   62.272  142.377   91.642  146.665   84.880  259.388   81.352  262.005   77.550 -2.617462 112.3928 
1 1 1   -5   16    9 o  830.860  114.958  1794.99  359.306  1708.36  501.650  1886.25  514.878  806.662  164.925  855.058  160.191 -48.39526 229.9155 
1 1 1   -5   16   10 o  505.942   77.096  586.037  147.555  635.165  216.334  543.300  201.775  526.304  108.921  485.579  109.138 40.72467 154.1915 
1 1 1   -5   16   11 o  897.151  129.452  2247.52  437.587  2411.59  635.447  2099.55  603.472  932.135  181.217  862.167  184.909 69.96851 258.9034 
1 1 1   -5   16   12 o  715.607  100.969  1282.50  271.954  1335.41  392.649  1233.71  377.028  729.985  142.950  701.230  142.634 28.75531 201.9386 
1 1 1   -5   16   13 o  348.651   68.925  278.572   97.445  259.447  146.152  293.877  130.748  336.547  102.253  360.755   92.450 -24.20758 137.8504 
1 1 1   -5   16   14 o  260.554   62.282  144.555   74.397  129.303  122.052  153.572   93.847  255.510   93.620  265.599   82.166 -10.08836 124.5633 
1 1 1   -5   16   15 o  253.728   78.774  140.196   86.171  140.196   86.171   0.0000   0.0000  253.728   78.774  ?   ?       ?      ? 
1 1 1   -5   16   16 o  618.745   51.828  783.979  125.142  783.979  125.142   0.0000   0.0000  618.745   51.828  ?   ?       ?      ? 
1 1 1   -5   16   17 o  463.807   61.967  493.068   93.264  493.891  107.166  490.500  189.350  487.050   56.383  440.564  110.367 46.48605 123.9349 
1 1 1   -5   16   18 o  241.740   54.231  126.423   63.098  199.282   87.925   49.056   90.604  294.223   76.031  189.257   77.352 104.9660 108.4625 
1 1 1   -5   16   19 o  238.132   54.711  125.307   64.825  199.248   88.733   40.676   94.931  290.885   76.973  185.378   77.771 105.5071 109.4218 
1 1 1   -5   16   20 o  384.092   60.306  404.151   83.748  457.927   98.429  263.129  159.394  462.815   54.498  305.370  107.596 157.4457 120.6110 
1 1 1   -5   16   21 o  392.609   63.594  445.712   94.190  509.330  111.189  284.047  177.246  481.285   59.201  303.933  112.570 177.3520 127.1876 
1 1 1   -5   16   22 o  286.897   53.853  174.552   32.725  171.478   33.538  235.646  149.521  291.503   29.483  282.291  103.592 9.211609 107.7062 
1 1 1   -5   16   23 o  394.920   66.560  486.155   96.910  527.657  108.858  327.619  212.759  488.095   57.151  301.745  120.228 186.3507 133.1199 
1 1 1   -5   16   24 o  153.228   47.104   31.941   18.167   33.160   18.260 -87.5266  180.774  125.112   35.664  181.344   87.198 -56.23219 94.20894 
1 1 1   -5   16   25 o  309.023  131.297  482.255  276.174   0.0000   0.0000  482.255  276.174  ?   ?   309.023  131.297      ?      ? 
1 1 1   -5   16   26 f  224.470   48.095  138.541   31.660  143.044   31.973 -88.1988  226.898  263.549   31.087  185.391   91.027 78.15752 96.18931 
1 1 1   -5   16   27 o  404.707   68.642  626.908   99.690  634.547  105.894  567.388  295.582  526.901   51.500  282.513  127.259 244.3883 137.2847 
1 1 1   -5   16   28 o  310.098  143.995  1165.81  418.404   0.0000   0.0000  1165.81  418.404  ?   ?   310.098  143.995      ?      ? 
1 1 1   -5   16   29 o  360.174   59.736  539.644   97.289  582.483  104.324  253.778  269.492  498.157   53.664  222.191  106.742 275.9656 119.4729 
1 1 1   -5   16   30 o  181.693   47.448   72.230   25.700   72.684   25.997   52.643  170.644  180.855   38.041  182.531   86.937 -1.676498 94.89520 
1 1 1   -5   17    1 o  466.289   62.313  487.563  105.108  535.003  132.228  406.135  173.236  510.629   66.357  421.948  105.491 88.68063 124.6253 
1 1 1   -5   17    2 o  489.609   61.521  519.471  108.907  528.277  135.532  503.422  182.967  506.510   68.568  472.707  102.166 33.80331 123.0422 
1 1 1   -5   17    3 o  261.939   51.050  148.017   53.934  161.180   71.453  130.586   82.226  274.952   67.169  248.926   76.894 26.02617 102.0998 
1 1 1   -5   17    4 o  1121.60  136.070  3593.54  540.491  3939.23  688.429  3038.07  872.663  1283.16  137.482  960.050  234.859 323.1071 272.1405 
1 1 1   -5   17    5 o  664.687   74.901  985.739  180.545  985.019  225.776  987.016  300.683  681.391   84.908  647.984  123.416 33.40784 149.8027 
1 1 1   -5   17    6 o  644.618   86.236  963.851  212.088  843.953  291.215  1099.27  309.493  591.959  129.652  697.276  113.740 -105.3177 172.4720 
1 1 1   -5   17    7 o  379.644   57.261  293.020   88.700  118.405  116.203  536.805  137.303  249.685   91.370  509.603   69.042 -259.9181 114.5222 
1 1 1   -5   17    8 o  409.797   69.955  381.067  110.615  366.034  159.541  394.983  153.500  400.329  101.871  419.264   95.900 -18.93564 139.9090 
1 1 1   -5   17    9 o  721.507   96.288  1261.85  264.937  1101.24  362.771  1445.41  387.840  659.980  144.830  783.033  126.923 -123.0531 192.5755 
1 1 1   -5   17   10 o  539.390   81.196  683.242  165.844  600.563  231.603  770.251  237.590  500.674  120.084  578.106  109.320 -77.43130 162.3911 
1 1 1   -5   17   11 o  977.490  163.143  3267.04  612.167  3627.99  900.866  2957.37  834.417  1035.92  228.939  919.059  232.485 116.8625 326.2856 
1 1 1   -5   17   12 o  347.146  100.958  279.402  144.977  279.402  144.977   0.0000   0.0000  347.146  100.958  ?   ?       ?      ? 
1 1 1   -5   17   13 o  469.131  119.167  544.608  218.589  544.608  218.589   0.0000   0.0000  469.131  119.167  ?   ?       ?      ? 
1 1 1   -5   17   14 o  164.972   49.024   19.356   50.147   27.068   89.814   15.864   60.446  180.657   75.711  149.286   62.301 31.37149 98.04845 
1 1 1   -5   17   15 o  303.263   63.763  212.466   80.627  187.725  107.190  244.705  122.359  285.020   87.753  321.506   92.533 -36.48581 127.5264 
1 1 1   -5   17   16 o  259.644   85.845  154.675  101.169  154.675  101.169   0.0000   0.0000  259.644   85.845  ?   ?       ?      ? 
1 1 1   -5   17   17 o  442.489   64.181  444.119   97.374  413.826  113.257  529.973  190.668  436.112   66.548  448.866  109.764 -12.75327 128.3617 
1 1 1   -5   17   18 o  987.276   57.876  2091.08  222.980  2091.08  222.980   0.0000   0.0000  987.276   57.876  ?   ?       ?      ? 
1 1 1   -5   17   19 o  269.670   64.242  189.149   81.589  216.315  107.148  151.661  125.869  291.225   87.344  248.115   94.229 43.10959 128.4843 
1 1 1   -5   17   20 o  149.732   48.202 -30.9522   64.477   19.929   84.908 -100.2578   99.096  164.543   71.383  134.921   64.793 29.62227 96.40373 
1 1 1   -5   17   21 o  350.516   63.928  355.290   92.058  401.406  110.329  249.597  167.027  416.919   67.812  284.112  108.392 132.8071 127.8565 
1 1 1   -5   17   22 o  227.436   95.773  120.947  144.843   0.0000   0.0000  120.947  144.843  ?   ?   227.436   95.773      ?      ? 
1 1 1   -5   17   23 f  247.202   50.353  162.060   34.658  166.605   35.350   49.392  176.005  285.846   31.690  208.558   95.591 77.28860 100.7067 
1 1 1   -5   17   24 o  204.385   45.612  105.499   27.797  110.278   28.110 -105.6330  186.835  232.221   31.019  176.549   85.789 55.67218 91.22473 
1 1 1   -5   17   25 o  178.921   51.606   50.023   20.656   49.692   20.771   79.748  196.883  151.349   35.739  206.494   96.827 -55.14531 103.2126 
1 1 1   -5   17   26 o  399.919   68.920  603.484   99.586  609.074  106.193  562.707  286.809  514.127   52.929  285.712  127.274 228.4142 137.8409 
1 1 1   -5   17   27 o  244.501   50.151  181.417   40.156  185.952   40.794   39.783  227.974  296.299   35.280  192.703   93.892 103.5959 100.3015 
1 1 1   -5   17   28 o  166.148   45.269   56.945   22.066   58.768   22.206 -86.3037  196.815  163.684   35.764  168.612   83.174 -4.928085 90.53754 
1 1 1   -5   17   29 o  265.690   50.383  219.982   39.112  223.003   39.972  152.080  189.511  326.406   31.381  204.973   95.754 121.4330 100.7653 
1 1 1   -5   17   30 o  276.773   33.376  162.806   36.049  162.806   36.049   0.0000   0.0000  276.773   33.376  ?   ?       ?      ? 
1 1 1   -5   18    1 o  520.916   67.543  638.892  126.541  771.187  163.117  438.938  200.536  610.975   68.414  430.856  116.481 180.1189 135.0866 
1 1 1   -5   18    2 o  520.344   64.023  602.323  120.332  637.804  151.612  541.927  197.807  554.848   70.021  485.839  107.206 69.00974 128.0469 
1 1 1   -5   18    3 o  219.436   44.104   76.618   42.631   21.219   52.652  182.063   72.640  146.438   59.297  292.434   65.303 -145.9967 88.20821 
1 1 1   -5   18    4 o  437.224   61.986  421.838  101.798  448.978  132.709  383.041  158.672  464.044   73.284  410.405   99.993 53.63928 123.9723 
1 1 1   -5   18    5 o  453.127   54.856  353.828   87.452  193.637  102.917  769.974  165.878  296.938   84.677  609.317   69.761 -312.3790 109.7124 
1 1 1   -5   18    6 o  607.636   71.510  805.109  159.567  752.467  198.843  900.325  267.425  592.879   85.943  622.392  114.317 -29.51233 143.0200 
1 1 1   -5   18    7 o  601.184   56.502   56.229   62.072  -5.2925   62.860  2465.97  393.408  140.800   61.251  1061.57   94.965 -920.7685 113.0045 
1 1 1   -5   18    8 o  590.881  123.930  843.526  276.640  843.526  276.640   0.0000   0.0000  590.881  123.930  ?   ?       ?      ? 
1 1 1   -5   18    9 o  668.796  138.468  1132.74  349.490  1132.74  349.490   0.0000   0.0000  668.796  138.468  ?   ?       ?      ? 
1 1 1   -5   18   10 o  665.810  141.124  1147.14  355.289  1147.14  355.289   0.0000   0.0000  665.810  141.124  ?   ?       ?      ? 
1 1 1   -5   18   11 o  610.919  135.870  968.630  315.547  968.630  315.547   0.0000   0.0000  610.919  135.870  ?   ?       ?      ? 
1 1 1   -5   18   12 o  770.710  124.424  1823.98  366.810  1592.91  502.546  2087.45  536.625  704.426  181.642  836.993  170.091 -132.5672 248.8470 
1 1 1   -5   18   13 o  217.107   59.113   81.214   63.670   98.831  127.180   75.322   73.551  235.545   93.237  198.669   72.694 36.87569 118.2264 
1 1 1   -5   18   14 o  136.143   45.251 -21.4287   39.878 -70.5516  118.965 -15.2105   42.326  164.253   76.441  108.032   48.452 56.22143 90.50301 
1 1 1   -5   18   15 f  506.010   67.364  608.342  119.366  593.045  143.090  643.343  216.451  519.678   70.558  492.343  114.775 27.33444 134.7283 
1 1 1   -5   18   16 o  378.069   83.803  342.674  120.394  342.674  120.394   0.0000   0.0000  378.069   83.803  ?   ?       ?      ? 
1 1 1   -5   18   17 o  368.980   61.407  357.235   89.991  426.759  114.999  247.405  144.540  436.981   67.437  300.978  102.642 136.0027 122.8132 
1 1 1   -5   18   18 o  273.998   55.460  147.802   78.104  362.977  119.307 -13.5699  103.320  383.670   82.162  164.326   74.516 219.3446 110.9200 
1 1 1   -5   18   19 o  161.096   51.845 -14.2778   71.350 -31.8941  109.184  -1.1478   94.261  160.814   74.280  161.379   72.347 -0.5648499 103.6894 
1 1 1   -5   18   20 o  219.198   57.524  100.563   74.703  193.495  102.023  -6.8510  109.684  270.240   85.970  168.156   76.454 102.0844 115.0481 
1 1 1   -5   18   21 o  188.766   57.764   48.787   72.620   39.594   86.568   70.623  133.416  172.603   73.426  204.928   89.191 -32.32506 115.5271 
1 1 1   -5   18   22 o  228.295   74.025  102.819  139.032  154.659  258.355   81.686  164.954  242.921  112.917  213.669   95.753 29.25151 148.0500 
1 1 1   -5   18   23 o  192.077   60.079   62.751   83.856   77.600   96.235   15.911  170.919  190.877   79.045  193.276   90.498 -2.399124 120.1579 
1 1 1   -5   18   24 o  261.112   56.546  162.740   34.437  160.520   34.922  241.111  207.477  278.506   32.131  243.719  108.431 34.78757 113.0917 
1 1 1   -5   18   25 o  140.025   42.806   31.739   18.605   34.113   18.686 -240.7865  200.209  125.202   36.198  154.849   77.583 -29.64687 85.61160 
1 1 1   -5   18   26 o  177.583   49.793   58.774   22.413   58.971   22.535   40.690  215.976  163.909   36.197  191.257   92.775 -27.34842 99.58628 
1 1 1   -5   18   27 o  297.448   60.636  324.300   80.644  333.775   85.548  248.690  241.656  370.504   59.167  224.391  105.858 146.1133 121.2710 
1 1 1   -5   18   28 o  245.842   44.595  202.538   36.563  211.850   37.332 -16.5111  181.067  319.098   29.980  172.585   83.999 146.5125 89.18909 
1 1 1   -5   18   29 o   96.169   35.497   17.168   17.594   17.168   17.594   0.0000   0.0000   96.169   35.497  ?   ?       ?      ? 
1 1 1   -5   19    1 o  410.612  112.739  400.461  186.156  400.461  186.156   0.0000   0.0000  410.612  112.739  ?   ?       ?      ? 
1 1 1   -5   19    2 o  1081.09  126.772  2789.82  534.832  2789.82  534.832   0.0000   0.0000  1081.09  126.772  ?   ?       ?      ? 
1 1 1   -5   19    3 o  886.938  101.254  1756.38  350.460  1756.38  350.460   0.0000   0.0000  886.938  101.254  ?   ?       ?      ? 
1 1 1   -5   19    4 o  259.294   73.664  145.561   78.040  145.561   78.040   0.0000   0.0000  259.294   73.664  ?   ?       ?      ? 
1 1 1   -5   19    5 o  169.780   45.861   44.516   42.479   34.144   62.678   53.327   57.769  164.424   65.337  175.137   64.373 -10.71320 91.72109 
1 1 1   -5   19    6 o  805.635   98.095  1451.12  308.404  1451.12  308.404   0.0000   0.0000  805.635   98.095  ?   ?       ?      ? 
1 1 1   -5   19    7 o  433.907   55.484  302.337   90.783   91.527  106.513  862.175  173.575  227.068   86.575  640.746   69.418 -413.6779 110.9684 
1 1 1   -5   19    8 o  589.078  130.423  886.442  291.902  886.442  291.902   0.0000   0.0000  589.078  130.423  ?   ?       ?      ? 
1 1 1   -5   19    9 o  597.504  135.479  943.083  308.617  943.083  308.617   0.0000   0.0000  597.504  135.479  ?   ?       ?      ? 
1 1 1   -5   19   10 o  340.266   70.019  277.268   97.612  281.247  153.107  274.544  126.701  339.164  104.953  341.368   92.712 -2.204987 140.0385 
1 1 1   -5   19   11 o  519.030   87.945  709.861  175.035  757.284  262.551  671.922  234.836  530.476  128.244  507.585  120.379 22.89154 175.8909 
1 1 1   -5   19   12 o  375.923   73.303  366.771  122.016  192.590  178.022  521.091  167.566  286.634  111.235  465.212   95.499 -178.5774 146.6063 
1 1 1   -5   19   13 o  365.198  116.992  369.759  188.683  369.759  188.683   0.0000   0.0000  365.198  116.992  ?   ?       ?      ? 
1 1 1   -5   19   14 o  383.297  126.029  445.782  218.164  445.782  218.164   0.0000   0.0000  383.297  126.029  ?   ?       ?      ? 
1 1 1   -5   19   15 o  217.458   59.586   90.492   68.968  140.275  118.981   65.301   84.637  243.654   91.836  191.262   75.949 52.39236 119.1722 
1 1 1   -5   19   16 o  125.693   43.789 -94.1183   56.284 -206.0210  139.344 -72.3012   61.527  144.376   70.979  107.010   51.301 37.36513 87.57710 
1 1 1   -5   19   17 o  277.544   69.012  206.562   93.615  278.615  141.811  150.911  124.630  311.562  101.569  243.526   93.457 68.03569 138.0240 
1 1 1   -5   19   18 o  395.457   63.277  461.861  102.507  590.037  129.396  245.866  167.972  508.556   65.200  282.358  108.465 226.1978 126.5534 
1 1 1   -5   19   19 o  179.052   55.257   23.245   76.253   79.132  102.120 -47.1849  114.640  199.574   81.909  158.530   74.193 41.04417 110.5149 
1 1 1   -5   19   20 o  267.864   62.746  211.447   84.613  261.477  101.701   98.951  152.505  317.062   81.690  218.666   95.262 98.39645 125.4911 
1 1 1   -5   19   21 o  162.017   53.478 -22.3218   75.372 -27.2726   89.052  -9.8173  141.527  144.699   66.922  179.335   83.432 -34.63672 106.9554 
1 1 1   -5   19   22 o  229.103   73.557  153.625  146.179   55.919  261.909  197.831  176.171  215.897  104.100  242.309  103.952 -26.41153 147.1147 
1 1 1   -5   19   23 o  184.911   62.160   13.591  119.017 -43.9376  216.062   38.651  142.602  186.190   90.869  183.632   84.844 2.557724 124.3209 
1 1 1   -5   19   24 o  169.010   80.773 -17.1528  149.960   0.0000   0.0000 -17.1528  149.960  ?   ?   169.010   80.773      ?      ? 
1 1 1   -5   19   25 o  145.295   45.114   31.656   17.875   32.722   17.949 -96.6204  196.906  122.533   35.491  168.057   82.955 -45.52393 90.22874 
1 1 1   -5   19   26 o  334.957   55.877  454.593   87.454  501.779   93.562  128.162  246.087  465.384   51.518  204.531   99.172 260.8527 111.7547 
1 1 1   -5   19   27 o  101.541   35.326   20.677   17.152   20.677   17.152   0.0000   0.0000  101.541   35.326  ?   ?       ?      ? 
1 1 1   -5   19   28 o  213.616   47.499  110.424   26.155  109.474   26.545  142.047  153.150  228.924   29.714  198.308   90.232 30.61552 94.99848 
1 1 1   -5   20    1 o  353.124   77.341  301.522  117.985  276.238  171.239  324.373  162.794  339.086  111.663  367.161  107.041 -28.07474 154.6816 
1 1 1   -5   20    2 o  535.346   70.923  684.235  137.158  751.666  173.241  570.976  224.522  593.292   74.825  477.398  120.505 115.8940 141.8459 
1 1 1   -5   20    3 o  305.513   59.821  214.787   73.160  230.641   92.161  187.772  120.300  323.098   74.602  287.927   93.534 35.17108 119.6415 
1 1 1   -5   20    4 o  271.357   59.898  163.501   69.017  161.858   87.236  166.251  112.842  269.667   78.282  273.047   90.681 -3.379639 119.7957 
1 1 1   -5   20    5 o  519.499   72.202  607.507  137.052  512.720  170.466  780.780  230.477  468.611   96.432  570.386  107.487 -101.7750 144.4044 
1 1 1   -5   20    6 o  756.156   99.866  1329.35  294.687  1329.35  294.687   0.0000   0.0000  756.156   99.866  ?   ?       ?      ? 
1 1 1   -5   20    7 f  658.715   94.953  1001.58  244.083  1001.58  244.083   0.0000   0.0000  658.715   94.953  ?   ?       ?      ? 
1 1 1   -5   20    8 o  640.161   76.930  928.402  180.535  739.851  219.480  1322.87  317.460  548.443  106.388  731.878  111.152 -183.4352 153.8609 
1 1 1   -5   20    9 o  483.597   65.704  462.189  131.964  113.728  161.746  1155.91  228.217  250.597  102.994  716.597   81.610 -466.0002 131.4073 
1 1 1   -5   20   10 o  209.108   57.241   81.413   63.184   72.518  116.374   85.131   75.239  214.094   87.603  204.122   73.700 9.971832 114.4816 
1 1 1   -5   20   11 o  487.429   81.079  642.434  165.580  368.845  224.483  968.900  245.219  350.271  127.175  624.587  100.607 -274.3160 162.1579 
1 1 1   -5   20   13 o  351.940  102.429  337.659  149.182   0.0000   0.0000  337.659  149.182  ?   ?   351.940  102.429      ?      ? 
1 1 1   -5   20   14 o  334.009  104.537  317.505  151.410   0.0000   0.0000  317.505  151.410  ?   ?   334.009  104.537      ?      ? 
1 1 1   -5   20   15 o  172.978   84.019 -159.7914  178.714 -159.7914  178.714   0.0000   0.0000  172.978   84.019  ?   ?       ?      ? 
1 1 1   -5   20   16 o  207.286   60.405   70.598   74.995  150.623  131.542   32.061   91.283  241.509   95.068  173.062   74.546 68.44705 120.8095 
1 1 1   -5   20   17 o  433.661   81.328  471.211  132.577  471.211  132.577   0.0000   0.0000  433.661   81.328  ?   ?       ?      ? 
1 1 1   -5   20   18 o  314.716   66.003  278.005   83.227  276.923   97.309  280.953  160.620  332.989   76.494  296.444  107.583 36.54492 132.0054 
1 1 1   -5   20   19 o  418.372   72.089  456.950   93.482  423.604  101.828  635.711  235.764  431.293   60.501  405.450  130.869 25.84375 144.1774 
1 1 1   -5   20   20 o  194.294   60.350   65.992   82.201   68.868   95.923   58.043  159.487  187.021   78.302  201.566   91.856 -14.54529 120.7008 
1 1 1   -5   20   21 o  220.893   71.272  138.893  138.257   68.542  236.867  175.246  170.272  210.744  100.931  231.043  100.656 -20.29904 142.5436 
1 1 1   -5   20   22 o  214.121   67.663  136.989  110.091  176.786  197.857  119.142  132.495  222.567  101.769  205.675   89.198 16.89270 135.3261 
1 1 1   -5   20   23 o  147.507   47.350   2.2875   50.838 -18.2166   58.673   64.056  101.836  118.215   54.550  176.799   77.410 -58.58436 94.69940 
1 1 1   -5   20   24 o  174.575   52.716   64.948   57.202   60.057   65.465   80.739  117.623  164.016   66.223  185.133   82.038 -21.11665 105.4312 
1 1 1   -5   20   25 o  422.120   56.172  425.762   92.532  425.762   92.532   0.0000   0.0000  422.120   56.172  ?   ?       ?      ? 
1 1 1   -5   20   26 o  144.034   46.339   23.304   16.649   22.749   16.748   69.860  153.384  104.632   34.942  183.435   85.839 -78.80301 92.67852 
1 1 1   -5   21    1 o  343.762   80.604  304.797  127.387  360.503  182.586  251.964  177.814  371.177  114.572  316.346  113.408 54.83099 161.2085 
1 1 1   -5   21    2 o  469.853   71.950  544.954  123.546  563.340  150.994  507.712  214.900  505.710   76.511  433.997  121.874 71.71283 143.9002 
1 1 1   -5   21    3 o  185.002   51.088   56.553   51.053   62.531   61.181   42.846   92.642  181.786   66.332  188.218   77.717 -6.432266 102.1762 
1 1 1   -5   21    4 o  593.152   80.964  889.624  173.907  869.414  214.735  928.145  296.460  612.820   89.792  573.484  134.752 39.33563 161.9285 
1 1 1   -5   21    5 o  398.983   63.109  313.638  101.566  142.054  123.162  678.346  179.561  253.035   93.813  544.931   84.438 -291.8959 126.2171 
1 1 1   -5   21    6 o  444.617  113.749  526.278  198.167   0.0000   0.0000  526.278  198.167  ?   ?   444.617  113.749      ?      ? 
1 1 1   -5   21    7 o  328.770   95.412  271.473  129.608   0.0000   0.0000  271.473  129.608  ?   ?   328.770   95.412      ?      ? 
1 1 1   -5   21    9 o  319.209   82.168  278.711  118.132  305.283  288.345  273.351  129.499  313.145  133.629  325.273   95.653 -12.12817 164.3353 
1 1 1   -5   21   10 f  336.005  119.672  346.443  197.691  346.443  197.691   0.0000   0.0000  336.005  119.672  ?   ?       ?      ? 
1 1 1   -5   21   11 o  182.745   83.089  -8.9914  129.556  -8.9914  129.556   0.0000   0.0000  182.745   83.089  ?   ?       ?      ? 
1 1 1   -5   21   12 o  153.381   74.216 -139.6777  136.033 -139.6777  136.033   0.0000   0.0000  153.381   74.216  ?   ?       ?      ? 
1 1 1   -5   21   13 o  275.213   70.538  222.836  107.443   87.676  193.827  282.790  129.092  230.500  103.509  319.926   95.854 -89.42599 141.0753 
1 1 1   -5   21   14 o  279.859   74.327  237.683  110.171  195.745  209.229  253.771  129.591  260.724  112.581  298.994   97.076 -38.26950 148.6549 
1 1 1   -5   21   15 o  374.994  146.314  665.332  309.286  665.332  309.286   0.0000   0.0000  374.994  146.314  ?   ?       ?      ? 
1 1 1   -5   21   16 o  208.649   66.303   65.962   98.954  -0.1185  237.077   79.904  108.893  216.111  102.802  201.186   83.761 14.92548 132.6051 
1 1 1   -5   21   17 o  295.625   68.089  235.494   82.638  202.852   96.500  325.259  160.026  275.505   82.950  315.745  107.998 -40.24051 136.1777 
1 1 1   -5   21   18 o  231.074   62.150  139.538   73.587  121.852   89.082  177.534  130.568  217.312   79.928  244.836   95.194 -27.52391 124.2992 
1 1 1   -5   21   19 o  295.756   84.304  413.652  165.883  284.000  300.282  470.595  199.004  250.850  118.237  340.663  120.203 -89.81339 168.6083 
1 1 1   -5   21   20 o  247.987   72.648  224.150  140.780 -70.7690  234.730  389.828  175.934  186.848   91.911  309.125  112.532 -122.2773 145.2966 
1 1 1   -5   21   21 o  167.560   51.751 -21.3250   60.472 -93.4445   70.811  172.981  116.229  105.981   51.788  229.138   89.614 -123.1569 103.5018 
1 1 1   -5   21   22 o  123.789   42.403 -56.3750   54.269 -49.9362   62.359 -76.4744  110.176  109.710   52.336  137.867   66.729 -28.15666 84.80500 
1 1 1   -5   21   23 o  225.169   71.732  141.837   71.008  141.837   71.008   0.0000   0.0000  225.169   71.732  ?   ?       ?      ? 
1 1 1   -5   21   24 o  171.006   52.079   64.206   62.174   84.196   69.839 -12.1538  136.499  179.781   69.698  162.231   77.402 17.55006 104.1581 
1 1 1   -5   21   25 o  174.673   56.162   35.383   57.672   10.452   62.010  195.094  156.947  132.055   58.976  217.290   95.595 -85.23480 112.3236 
1 1 1   -5   22    1 f  150.312   70.921 -81.8159  108.535   0.0000   0.0000 -81.8159  108.535  ?   ?   150.312   70.921      ?      ? 
1 1 1   -5   22    2 o  326.356   75.067  291.833  110.183  311.481  140.793  260.784  176.987  345.685   99.191  307.028  112.701 38.65646 150.1344 
1 1 1   -5   22    3 o  243.221   62.634  138.332   76.804  149.523   97.617  120.146  124.436  250.401   84.356  236.041   92.608 14.36029 125.2685 
1 1 1   -5   22    4 o  282.984   65.910  199.641   82.859  181.354  106.213  228.074  132.441  270.676   87.885  295.292   98.248 -24.61588 131.8199 
1 1 1   -5   22    5 o  406.824  140.357  582.059  270.498  582.059  270.498   0.0000   0.0000  406.824  140.357  ?   ?       ?      ? 
1 1 1   -5   22    6 o  246.475   63.400  140.003   80.063   92.139  106.949  201.025  120.758  214.368   85.295  278.582   93.824 -64.21463 126.7998 
1 1 1   -5   22    7 o  325.121   67.518  280.665   94.361  361.753  135.333  203.946  131.636  373.490   93.163  276.752   97.751 96.73804 135.0353 
1 1 1   -5   22    8 o  344.569  103.805  335.731  151.092  335.731  151.092   0.0000   0.0000  344.569  103.805  ?   ?       ?      ? 
1 1 1   -5   22    9 o  274.791  101.768  211.395  144.856  211.395  144.856   0.0000   0.0000  274.791  101.768  ?   ?       ?      ? 
1 1 1   -5   22   10 o  327.570  110.153  330.208  166.447  330.208  166.447   0.0000   0.0000  327.570  110.153  ?   ?       ?      ? 
1 1 1   -5   22   11 o  279.698  112.021  245.322  185.678  245.322  185.678   0.0000   0.0000  279.698  112.021  ?   ?       ?      ? 
1 1 1   -5   22   12 o  207.209   94.461   35.984  168.858   35.984  168.858   0.0000   0.0000  207.209   94.461  ?   ?       ?      ? 
1 1 1   -5   22   13 o  229.688   65.336  129.187   99.933 -83.6269  209.016  192.251  113.781  194.927   93.737  264.449   91.042 -69.52155 130.6725 
1 1 1   -5   22   14 o  243.187   71.949  149.541   99.020  188.880  234.676  141.020  109.218  253.712  113.917  232.663   87.916 21.04848 143.8972 
1 1 1   -5   22   15 o  239.650  111.330  138.090  250.542  138.090  250.542   0.0000   0.0000  239.650  111.330  ?   ?       ?      ? 
1 1 1   -5   22   16 o  193.234   63.388   39.309   91.332 -58.2328  263.097   52.674   97.389  205.835  100.416  180.634   77.386 25.20084 126.7753 
1 1 1   -5   22   17 o  212.901   67.981  104.892  114.173 -43.9534  288.662  132.495  124.309  206.738  101.739  219.064   90.193 -12.32664 135.9613 
1 1 1   -5   22   18 o  191.055   81.468   83.517  107.027   83.517  107.027   0.0000   0.0000  191.055   81.468  ?   ?       ?      ? 
1 1 1   -5   22   19 o  287.146   72.912  247.383   89.848  177.805  101.756  493.558  191.401  238.589   85.764  335.703  117.938 -97.11435 145.8243 
1 1 1   -5   22   20 o  150.910   67.065   23.647   79.155   23.647   79.155   0.0000   0.0000  150.910   67.065  ?   ?       ?      ? 
1 1 1   -5   22   21 o  116.083   55.874 -64.9278   74.674 -64.9278   74.674   0.0000   0.0000  116.083   55.874  ?   ?       ?      ? 
1 1 1   -5   22   22 o  163.577   53.949   1.0303   71.218 -35.5648   82.117  112.094  143.055  130.032   61.455  197.121   88.688 -67.08888 107.8988 
1 1 1   -5   22   23 o  203.710   61.909  134.161   85.157  135.716   97.395  129.113  175.467  207.447   81.757  199.972   92.988 7.475845 123.8183 
1 1 1   -5   22   24 o  172.327   56.835   48.480   79.351   39.327   88.247   87.134  181.347  157.387   70.318  187.268   89.311 -29.88078 113.6707 
1 1 1   -5   23    1 o  319.155   82.483  321.924  134.662  372.991  194.092  274.528  186.987  340.305  118.808  298.005  114.448 42.29950 164.9661 
1 1 1   -5   23    2 f  353.757   74.574  328.044  100.455  286.398  116.272  450.637  199.493  332.793   88.134  374.721  120.323 -41.92828 149.1485 
1 1 1   -5   23    3 o  338.229   73.493  317.906  100.723  299.424  119.279  363.837  188.034  339.248   88.991  337.210  116.984 2.038055 146.9850 
1 1 1   -5   23    4 o  270.814   69.212  201.074   92.889  201.959  117.753  199.617  151.143  274.234   92.647  267.393  102.847 6.841492 138.4236 
1 1 1   -5   23    5 o  279.370   69.702  220.186   96.377  253.742  130.474  179.890  142.979  301.166   97.371  257.575   99.763 43.59158 139.4049 
1 1 1   -5   23    6 o  173.304   77.892   4.5935  110.018   4.5935  110.018   0.0000   0.0000  173.304   77.892  ?   ?       ?      ? 
1 1 1   -5   23    7 o  249.780   66.794  155.841   92.607   81.973  125.999  242.626  136.571  209.648   88.860  289.913   99.748 -80.26492 133.5879 
1 1 1   -5   23    8 o  256.403   67.724  181.169   91.765  158.141  134.108  201.445  125.838  244.432   96.063  268.375   95.490 -23.94299 135.4488 
1 1 1   -5   23    9 o  319.919  106.908  316.102  156.774  316.102  156.774   0.0000   0.0000  319.919  106.908  ?   ?       ?      ? 
1 1 1   -5   23   10 o  309.531  104.962  294.448  151.142  294.448  151.142   0.0000   0.0000  309.531  104.962  ?   ?       ?      ? 
1 1 1   -5   23   11 o  319.419   73.902  314.341  106.161  300.719  148.454  328.597  151.872  312.481  104.021  326.357  105.004 -13.87564 147.8046 
1 1 1   -5   23   12 o  210.945   99.377   18.386  211.638   18.386  211.638   0.0000   0.0000  210.945   99.377  ?   ?       ?      ? 
1 1 1   -5   23   13 o  255.365   75.961  187.570  111.216  292.750  253.938  162.607  123.712  270.891  120.266  239.838   92.824 31.05219 151.9216 
1 1 1   -5   23   14 o  214.945  103.601   27.185  258.829   27.185  258.829   0.0000   0.0000  214.945  103.601  ?   ?       ?      ? 
1 1 1   -5   23   15 o  236.659  112.774  200.328  287.914  200.328  287.914   0.0000   0.0000  236.659  112.774  ?   ?       ?      ? 
1 1 1   -5   23   16 o  232.503   70.657  195.294  131.280 -84.5468  301.932  260.532  145.782  197.471   98.369  267.536  101.456 -70.06456 141.3144 
1 1 1   -5   23   17 o  225.048  110.284  229.614  327.995  229.614  327.995   0.0000   0.0000  225.048  110.284  ?   ?       ?      ? 
1 1 1   -5   23   18 o  137.093   66.891 -100.6815  116.871 -100.6815  116.871   0.0000   0.0000  137.093   66.891  ?   ?       ?      ? 
1 1 1   -5   23   19 o  207.108   62.711   64.120   93.134 -69.1057  115.382  313.221  157.773  142.079   68.652  272.137  104.966 -130.0584 125.4227 
1 1 1   -5   23   20 o  259.233   73.366  186.928   99.455   74.322  113.033  572.958  209.284  181.522   80.430  336.944  122.724 -155.4215 146.7318 
1 1 1   -5   23   21 o  160.321   54.525 -23.0852   88.389 -48.4634  104.289   41.631  166.538  139.668   66.913  180.973   86.109 -41.30528 109.0506 
1 1 1   -5   23   22 o  194.182   64.017   91.059  101.402   45.571  115.799  240.621  209.977  168.868   77.450  219.495  101.951 -50.62723 128.0334 
1 1 1   -5   24    1 o  212.192   66.729   62.234  112.155  108.486  157.867   15.100  159.367  226.203   97.733  198.182   90.881 28.02119 133.4580 
1 1 1   -5   24    2 o  389.718   95.697  583.903  180.579  770.780  274.598  441.510  239.698  443.838  141.025  335.597  129.397 108.2413 191.3939 
1 1 1   -5   24    3 o  249.653   68.156  169.179   90.764  176.992  104.847  145.814  181.310  257.584   87.421  241.722  104.588 15.86185 136.3122 
1 1 1   -5   24    4 o  331.130   75.333  362.963  122.329  438.227  152.402  226.643  205.107  394.355   99.139  267.905  113.453 126.4502 150.6657 
1 1 1   -5   24    5 o  372.443   84.856  463.984  137.435  429.495  173.114  522.777  226.026  370.036  111.031  374.850  128.351 -4.814331 169.7111 
1 1 1   -5   24    6 o  390.749  113.357  485.206  182.978  485.206  182.978   0.0000   0.0000  390.749  113.357  ?   ?       ?      ? 
1 1 1   -5   24    7 o  329.513   78.767  296.613  126.418  126.937  155.350  629.239  217.510  229.630   98.040  429.396  123.311 -199.7666 157.5350 
1 1 1   -5   24    8 o  148.349   71.272 -97.4899  120.188 -97.4899  120.188   0.0000   0.0000  148.349   71.272  ?   ?       ?      ? 
1 1 1   -5   24    9 o  258.308   97.744  198.999  135.122  198.999  135.122   0.0000   0.0000  258.308   97.744  ?   ?       ?      ? 
1 1 1   -5   24   10 o  237.353   93.076  159.512  125.642  159.512  125.642   0.0000   0.0000  237.353   93.076  ?   ?       ?      ? 
1 1 1   -5   24   11 o  161.067   73.036   3.9781   99.245   3.9781   99.245   0.0000   0.0000  161.067   73.036  ?   ?       ?      ? 
1 1 1   -5   24   12 o  236.412   94.775  172.149  133.049  172.149  133.049   0.0000   0.0000  236.412   94.775  ?   ?       ?      ? 
1 1 1   -5   24   13 o  189.941   85.226   64.079  131.116   64.079  131.116   0.0000   0.0000  189.941   85.226  ?   ?       ?      ? 
1 1 1   -5   24   14 o  208.500  101.058   83.371  254.898   83.371  254.898   0.0000   0.0000  208.500  101.058  ?   ?       ?      ? 
1 1 1   -5   24   15 o  268.256   78.630  369.846  165.549   68.701  293.087  510.944  200.617  205.462  101.380  331.050  120.220 -125.5877 157.2600 
1 1 1   -5   24   16 o  177.433   89.140 -176.2144  273.326 -176.2144  273.326   0.0000   0.0000  177.433   89.140  ?   ?       ?      ? 
1 1 1   -5   24   17 o  273.936   80.878  466.589  190.432   8.6113  377.050  623.414  220.640  200.757  101.344  347.115  126.073 -146.3577 161.7564 
1 1 1   -5   24   18 o  218.567   69.245  192.474  133.044 -42.4257  332.907  237.122  145.138  193.364   97.309  243.770   98.541 -50.40646 138.4895 
1 1 1   -5   24   19 o  238.072   70.828  237.837  110.626  205.283  145.196  282.884  170.802  228.252   95.991  247.892  104.174 -19.64037 141.6567 
1 1 1   -5   24   20 o  167.773   56.563   10.697  101.585   20.156  129.886  -4.2026  163.022  166.046   78.111  169.500   81.829 -3.453979 113.1258 
1 1 1   -5   24   21 o  330.589   68.219  543.372  131.598  654.269  154.297  247.438  252.056  450.448   90.911  210.730  101.738 239.7175 136.4385 
1 1 1   -5   25    1 o  191.947   63.760 -22.6906  122.031   55.970  177.870 -92.6396  167.732  209.877   96.159  174.016   83.754 35.86078 127.5196 
1 1 1   -5   25    2 o  282.853   67.034  255.477  111.363  374.305  134.583  -2.5712  198.327  363.680   94.107  202.026   95.488 161.6546 134.0675 
1 1 1   -5   25    3 o  197.561   61.804   56.807   80.761   45.512   91.332   97.304  172.939  175.954   75.149  219.167   98.142 -43.21269 123.6087 
1 1 1   -5   25    4 o  204.489   65.051   66.649   97.913   69.050  111.237   58.388  206.322  193.877   82.872  215.102  100.293 -21.22498 130.1015 
1 1 1   -5   25    5 o  344.099  111.582  403.924  171.243  403.924  171.243   0.0000   0.0000  344.099  111.582  ?   ?       ?      ? 
1 1 1   -5   25    6 o  210.166   92.706   92.906  148.536   92.906  148.536   0.0000   0.0000  210.166   92.706  ?   ?       ?      ? 
1 1 1   -5   25    7 o  186.086   86.151   16.390  148.125   16.390  148.125   0.0000   0.0000  186.086   86.151  ?   ?       ?      ? 
1 1 1   -5   25    8 o  227.829   98.032  154.130  157.525  154.130  157.525   0.0000   0.0000  227.829   98.032  ?   ?       ?      ? 
1 1 1   -5   25    9 o  194.204   88.326   62.158  146.541   62.158  146.541   0.0000   0.0000  194.204   88.326  ?   ?       ?      ? 
1 1 1   -5   25   10 o  246.482  100.061  217.639  150.333  217.639  150.333   0.0000   0.0000  246.482  100.061  ?   ?       ?      ? 
1 1 1   -5   25   11 o  238.653   69.268  203.623  103.711  234.252  148.161  174.198  145.222  250.791  100.199  226.515   95.669 24.27592 138.5368 
1 1 1   -5   25   12 o  122.206   60.800 -181.1784  113.885 -181.1784  113.885   0.0000   0.0000  122.206   60.800  ?   ?       ?      ? 
1 1 1   -5   25   13 o  262.518  105.371  294.739  164.685  294.739  164.685   0.0000   0.0000  262.518  105.371  ?   ?       ?      ? 
1 1 1   -5   25   14 o  328.454  121.512  537.942  206.406  537.942  206.406   0.0000   0.0000  328.454  121.512  ?   ?       ?      ? 
1 1 1   -5   25   15 f  214.883   70.973  142.988  120.288  359.469  284.692   95.942  132.717  237.586  112.911  192.180   86.022 45.40598 141.9456 
1 1 1   -5   25   16 o  259.125   79.833  406.747  171.715  242.741  313.876  476.800  205.136  217.646  106.905  300.603  118.595 -82.95708 159.6665 
1 1 1   -5   25   18 o  162.976   81.347 -135.3575  210.867 -135.3575  210.867   0.0000   0.0000  162.976   81.347  ?   ?       ?      ? 
1 1 1   -5   25   19 o  189.585   92.964   88.514  234.206   88.514  234.206   0.0000   0.0000  189.585   92.964  ?   ?       ?      ? 
1 1 1   -5   26    1 o  232.398   65.073  170.779  103.152  245.646  120.594 -33.3507  199.128  277.943   93.759  186.853   90.263 91.09030 130.1466 
1 1 1   -5   26    2 o  322.352   81.596  443.791  137.162  458.036  164.762  411.629  247.565  362.532  108.216  282.172  122.151 80.36035 163.1913 
1 1 1   -5   26    3 o  209.222   62.619  115.379   97.621  176.107  113.917 -52.5052  189.409  238.374   89.857  180.070   87.238 58.30339 125.2384 
1 1 1   -5   26    4 o  311.849   80.107  421.956  134.750  444.835  162.148  370.884  242.259  354.424  107.708  269.275  118.607 85.14923 160.2141 
1 1 1   -5   26    5 o  226.306   70.483  157.965  110.714  122.331  129.691  253.701  212.578  208.860   89.385  243.751  109.004 -34.89113 140.9668 
1 1 1   -5   26    6 o  218.822   68.163  127.562  102.913   70.303  121.924  269.437  191.921  187.178   83.206  250.467  107.989 -63.28941 136.3259 
1 1 1   -5   26    7 o  246.032   93.896  208.062  125.366  208.062  125.366   0.0000   0.0000  246.032   93.896  ?   ?       ?      ? 
1 1 1   -5   26    8 o  269.135   74.387  252.174  106.160  161.510  126.945  463.054  193.606  221.203   91.117  317.067  117.608 -95.86353 148.7746 
1 1 1   -5   26    9 o  170.093   76.643   41.574  107.310   41.574  107.310   0.0000   0.0000  170.093   76.643  ?   ?       ?      ? 
1 1 1   -5   26   10 o  211.552   65.198  110.994  102.217  -0.0623  130.763  285.470  163.901  165.234   77.925  257.871  104.550 -92.63693 130.3961 
1 1 1   -5   26   11 o  247.604  102.852  262.391  163.654  262.391  163.654   0.0000   0.0000  247.604  102.852  ?   ?       ?      ? 
1 1 1   -5   26   12 o  201.333   91.826  120.853  159.807  120.853  159.807   0.0000   0.0000  201.333   91.826  ?   ?       ?      ? 
1 1 1   -5   26   13 o  190.845   93.551   30.454  236.548   30.454  236.548   0.0000   0.0000  190.845   93.551  ?   ?       ?      ? 
1 1 1   -5   26   14 o  214.241  101.917  198.440  233.070  198.440  233.070   0.0000   0.0000  214.241  101.917  ?   ?       ?      ? 
1 1 1   -5   26   15 o  174.994   84.497   7.8368  174.019   7.8368  174.019   0.0000   0.0000  174.994   84.497  ?   ?       ?      ? 
1 1 1   -5   26   16 o  206.788   68.569  175.245  137.233  157.084  292.691  180.362  155.370  201.352   99.709  212.224   94.153 -10.87184 137.1375 
1 1 1   -5   27    1 o  193.572   62.289   89.614  103.393   68.509  160.875  104.466  134.956  190.085   88.606  197.059   87.572 -6.973709 124.5785 
1 1 1   -5   27    2 o  202.588   61.549  121.563   89.137  144.650  110.867   79.359  149.900  214.147   86.280  191.028   87.800 23.11896 123.0974 
1 1 1   -5   27    3 o  285.456   71.402  343.272  114.519  409.441  140.958  214.803  196.409  344.863   99.335  226.048  102.595 118.8144 142.8047 
1 1 1   -5   27    4 o  227.385   66.253  190.432  101.587  233.757  125.279  107.247  173.593  254.898   94.594  199.871   92.790 55.02605 132.5068 
1 1 1   -5   27    5 o  209.277   65.177   99.488   91.383   30.376  106.369  294.238  178.557  164.965   75.114  253.589  106.538 -88.62401 130.3549 
1 1 1   -5   27    6 o  272.129   77.315  274.608  112.993  172.046  131.601  562.320  220.416  221.350   92.112  322.907  124.200 -101.5569 154.6293 
1 1 1   -5   27    7 o  221.105   67.277  156.324   95.984  106.410  113.596  280.903  179.465  194.800   83.519  247.409  105.496 -52.60890 134.5543 
1 1 1   -5   27    8 o  195.024   63.892   91.760  116.359   38.516  164.169  145.510  164.946  181.975   86.266  208.073   94.271 -26.09827 127.7849 
1 1 1   -5   27    9 o  225.158   72.747  224.299  148.946  109.897  227.872  309.638  196.809  201.531   97.154  248.785  108.304 -47.25362 145.4946 
1 1 1   -5   27   10 o  285.275  123.545  546.621  253.459   0.0000   0.0000  546.621  253.459  ?   ?   285.275  123.545      ?      ? 
1 1 1   -5   27   11 o  177.262   60.818   0.4263  127.362   51.084  204.705 -31.5687  162.684  188.245   91.075  166.280   80.627 21.96492 121.6362 
1 1 1   -5   27   12 o  219.557  105.085  261.550  255.844  261.550  255.844   0.0000   0.0000  219.557  105.085  ?   ?       ?      ? 
1 1 1   -5   27   13 o  192.730   64.923  103.543  137.768 -16.2673  264.012  148.375  161.500  183.049   91.311  202.411   92.315 -19.36143 129.8456 
1 1 1   -5   27   14 o  224.331  100.404  251.383  180.766  251.383  180.766   0.0000   0.0000  224.331  100.404  ?   ?       ?      ? 
1 1 1   -5   28    1 o  178.847   59.243   41.659  101.517   74.407  160.815   19.963  130.893  188.743   88.184  168.952   79.136 19.79137 118.4860 
1 1 1   -5   28    2 o  205.569   92.276  139.367  153.870   0.0000   0.0000  139.367  153.870  ?   ?   205.569   92.276      ?      ? 
1 1 1   -5   28    3 o  201.309   91.458  125.553  156.580   0.0000   0.0000  125.553  156.580  ?   ?   201.309   91.458      ?      ? 
1 1 1   -5   28    4 o  193.404   88.859   98.537  153.347   0.0000   0.0000   98.537  153.347  ?   ?   193.404   88.859      ?      ? 
1 1 1   -5   28    5 o  241.718  105.254  281.647  185.980   0.0000   0.0000  281.647  185.980  ?   ?   241.718  105.254      ?      ? 
1 1 1   -5   28    6 o  182.588   59.363   68.394   95.718   51.162  125.289   92.551  148.344  174.869   80.334  190.306   87.421 -15.43730 118.7269 
1 1 1   -5   28    7 o  205.463   62.288  126.534  102.212  239.073  132.174 -40.8784  161.209  247.365   95.888  163.562   79.527 83.80321 124.5759 
1 1 1   -5   28    8 o  174.781   80.730   52.885  128.970   52.885  128.970   0.0000   0.0000  174.781   80.730  ?   ?       ?      ? 
1 1 1   -5   28    9 o  196.501   63.666  103.912  106.229   26.665  134.054  234.294  174.159  168.058   79.148  224.943   99.745 -56.88559 127.3324 
1 1 1   -5   28   10 o  228.057   71.779  230.631  139.945   20.384  195.949  449.523  199.936  177.348   86.550  278.765  114.533 -101.4168 143.5574 
1 1 1   -5   29    1 o  153.573   53.193 -101.7005  111.958   36.871  148.163 -286.1304  170.931  172.884   81.956  134.261   67.831 38.62267 106.3851 
1 1 1   -5   29    2 o  173.275   57.599   46.208   98.463   52.628  125.085   35.750  159.652  171.968   79.457  174.581   83.409 -2.613678 115.1979 
1 1 1   -5   29    3 o  205.133   92.510  163.682  156.729  163.682  156.729   0.0000   0.0000  205.133   92.510  ?   ?       ?      ? 
1 1 1   -5   29    4 o  244.851   68.859  270.003  111.826  366.374  145.854  132.565  174.180  294.326  102.978  195.375   91.441 98.95091 137.7174 
1 1 1   -4    0    1 o  525.119   18.280  542.971   52.683  542.971   52.683  542.971   52.683  525.119   25.852  525.119   25.852 0.000000 0.000000 
1 1 1   -4    0    2 o  738.570   21.146  1072.34   85.871  1072.34   85.871  1072.34   85.871  738.570   29.905  738.570   29.905 -0.000000 0.000000 
1 1 1   -4    0    3 o  137.233   17.828   40.315   12.157   40.315   12.157   40.315   12.157  137.233   25.212  137.233   25.212 -0.000000 0.000000 
1 1 1   -4    0    4 o  449.355   17.496  398.294   43.088  398.294   43.088  398.294   43.088  449.355   24.743  449.355   24.743 0.000000 0.000000 
1 1 1   -4    0    5 o  186.461   16.643   71.129   16.384   71.129   16.384   71.129   16.384  186.461   23.537  186.461   23.537 0.000000 0.000000 
1 1 1   -4    0    6 o  731.898   30.146  1062.31  120.822  1062.31  120.822  1062.31  120.822  731.898   42.633  731.898   42.633 0.000000 0.000000 
1 1 1   -4    0    7 o  1176.37   28.430  2725.99  184.085  2725.99  184.085  2725.99  184.085  1176.37   40.206  1176.37   40.206 -0.000000 0.000000 
1 1 1   -4    0    8 o  740.425   21.279  1079.04   86.627  1079.04   86.627  1079.04   86.627  740.425   30.094  740.425   30.094 -0.000000 0.000000 
1 1 1   -4    0    9 o  494.707   18.119  482.853   49.167  482.853   49.167  482.853   49.167  494.707   25.625  494.707   25.625 0.000000 0.000000 
1 1 1   -4    0   10 o  1230.98   29.505  2996.41  199.921  2996.41  199.921  2996.41  199.921  1230.98   41.726  1230.98   41.726 -0.000000 0.000000 
1 1 1   -4    0   12 o  878.758   23.515  1527.60  113.669  1527.60  113.669  1527.60  113.669  878.758   33.255  878.758   33.255 0.000000 0.000000 
1 1 1   -4    0   13 o  464.176   17.879  426.563   45.491  426.563   45.491  426.563   45.491  464.176   25.285  464.176   25.285 -0.000000 0.000000 
1 1 1   -4    0   14 o  137.508   20.885   41.812   13.913   41.812   13.913   41.812   13.913  137.508   29.536  137.508   29.536 0.000000 0.000000 
1 1 1   -4    0   15 o  205.849   17.572   86.558   19.191   86.558   19.191   86.558   19.191  205.849   24.851  205.849   24.851 -0.000000 0.000000 
1 1 1   -4    0   16 o  686.438   20.626  929.080   77.816  929.080   77.816  929.080   77.816  686.438   29.169  686.438   29.169 0.000000 0.000000 
1 1 1   -4    0   17 o  715.861   21.021  1009.87   82.724  1009.87   82.724  1009.87   82.724  715.861   29.729  715.861   29.729 -0.000000 0.000000 
1 1 1   -4    0   18 o  154.341   33.101   58.051   24.606   58.051   24.606   58.051   24.606  154.341   46.811  154.341   46.811 0.000000 0.000000 
1 1 1   -4    0   19 o  1160.19   28.228  2656.48  180.256  2656.48  180.256  2656.48  180.256  1160.19   39.921  1160.19   39.921 -0.000000 0.000000 
1 1 1   -4    0   20 o  1352.62   31.768  3618.69  236.556  3618.69  236.556  3618.69  236.556  1352.62   44.927  1352.62   44.927 -0.000000 0.000000 
1 1 1   -4    0   21 o  1032.73   37.230  2128.83  210.934  2128.83  210.934  2128.83  210.934  1032.73   52.652  1032.73   52.652 0.000000 0.000000 
1 1 1   -4    0   22 o  806.703   22.441  1283.21   99.558  1283.21   99.558  1283.21   99.558  806.703   31.737  806.703   31.737 0.000000 0.000000 
1 1 1   -4    0   23 o  583.661   27.621  679.819   88.057  679.819   88.057  679.819   88.057  583.661   39.062  583.661   39.062 -0.000000 0.000000 
1 1 1   -4    0   24 o  1193.99   28.986  2822.65  190.488  2822.65  190.488  2822.65  190.488  1193.99   40.992  1193.99   40.992 0.000000 0.000000 
1 1 1   -4    0   25 o   82.434   28.182   19.707   14.930   19.707   14.930   19.707   14.930   82.434   39.855   82.434   39.855 0.000000 0.000000 
1 1 1   -4    0   26 o  307.316   18.653  189.460   31.100  189.460   31.100  189.460   31.100  307.316   26.380  307.316   26.380 0.000000 0.000000 
1 1 1   -4    0   27 f  186.641   25.468   75.889   23.417   75.889   23.417   75.889   23.417  186.641   36.018  186.641   36.018 0.000000 0.000000 
1 1 1   -4    0   28 o  545.460   19.837  591.517   59.354  591.517   59.354  591.517   59.354  545.460   28.053  545.460   28.053 0.000000 0.000000 
1 1 1   -4    0   29 o  507.050   19.914  513.022   55.332  513.022   55.332  513.022   55.332  507.050   28.162  507.050   28.162 -0.000000 0.000000 
1 1 1   -4    0   30 f   80.613   37.132  -0.1147   40.036  -0.1147   40.036  -0.1147   40.036   80.613   52.513   80.613   52.513 0.000000 0.000000 
1 1 1   -4    0   31 o  245.499   23.857  126.608   30.587  126.608   30.587  126.608   30.587  245.499   33.739  245.499   33.739 0.000000 0.000000 
1 1 1   -4    0   32 o  255.931   22.790  136.621   30.803  136.621   30.803  136.621   30.803  255.931   32.230  255.931   32.230 0.000000 0.000000 
1 1 1   -4    0   33 o   59.048   25.923   5.4369   16.929   5.4369   16.929   5.4369   16.929   59.048   36.661   59.048   36.661 -0.000000 0.000000 
1 1 1   -4    0   35 o  547.303   21.774  608.968   65.291  608.968   65.291  608.968   65.291  547.303   30.793  547.303   30.793 -0.000000 0.000000 
1 1 1   -4    0   36 o  736.337   23.970  1108.29   96.936  1108.29   96.936  1108.29   96.936  736.337   33.898  736.337   33.898 -0.000000 0.000000 
1 1 1   -4    0   37 o  156.806   34.798   63.805   26.437   63.805   26.437   63.805   26.437  156.806   49.212  156.806   49.212 0.000000 0.000000 
1 1 1   -4    1    1 o  992.431   25.132  1935.87   97.333  1941.04  137.896  1930.75  137.403  993.746   35.559  991.116   35.526 2.630249 50.26412 
1 1 1   -4    1    2 o  275.305   15.722  148.292   16.884  154.160   24.047  142.585   23.713  280.686   21.953  269.923   22.512 10.76279 31.44452 
1 1 1   -4    1    3 o   83.952   15.434   14.089   5.3655   20.632   7.6570   7.7769   7.5208  100.930   20.146   66.974   23.387 33.95596 30.86757 
1 1 1   -4    1    4 o  1474.09   33.868  4299.80  194.798  4339.52  278.343  4261.67  272.714  1480.64   48.173  1467.54   47.620 13.10229 67.73651 
1 1 1   -4    1    5 o  748.222   30.143  1105.29   88.009  1098.53  123.821  1112.19  125.118  745.928   42.537  750.516   42.720 -4.587402 60.28546 
1 1 1   -4    1    6 o  634.871   27.860  793.455   68.955  832.998  100.212  757.898   95.028  649.843   39.517  619.898   39.282 29.94562 55.71954 
1 1 1   -4    1    7 o  812.573   22.249  1297.87   70.545  1312.54  100.614  1283.68   98.939  817.071   31.555  808.074   31.375 8.997498 44.49847 
1 1 1   -4    1    8 o  1016.81   25.638  2039.11  101.704  2073.02  145.945  2007.09  141.805  1024.96   36.488  1008.67   36.026 16.28815 51.27615 
1 1 1   -4    1    9 o  507.629   18.102  505.982   35.859  510.896   50.936  501.154   50.492  510.073   25.589  505.184   25.612 4.889343 36.20477 
1 1 1   -4    1   10 o  686.059   20.495  925.008   54.795  974.695   80.110  881.326   75.114  703.279   29.189  668.839   28.778 34.44031 40.99042 
1 1 1   -4    1   11 o  208.883   23.031   86.494   18.762   85.741   26.931   87.205   26.154  207.937   33.189  209.829   31.940 -1.892441 46.06182 
1 1 1   -4    1   12 o  361.777   16.781  257.899   23.692  257.954   33.492  257.844   33.519  361.818   23.720  361.737   23.745 0.8117676E-01 33.56272 
1 1 1   -4    1   13 o  759.124   21.675  1143.30   64.195  1162.86   92.029  1124.77   89.590  765.378   30.812  752.870   30.494 12.50836 43.34994 
1 1 1   -4    1   14 o  719.339   21.041  1024.12   59.058  1037.31   84.333  1011.43   82.731  723.848   29.855  714.830   29.658 9.018066 42.08192 
1 1 1   -4    1   15 o  320.384   16.621  201.707   20.772  193.519   29.054  210.267   29.708  313.713   23.732  327.054   23.277 -13.34113 33.24195 
1 1 1   -4    1   16 o  164.080   17.465   53.005   11.159   56.813   15.740   49.158   15.821  170.060   23.718  158.100   25.644 11.96036 34.93035 
1 1 1   -4    1   17 o  626.244   19.711  771.659   48.168  765.674   67.758  777.773   68.487  623.797   27.834  628.691   27.915 -4.894165 39.42108 
1 1 1   -4    1   18 o  321.089   24.183  201.997   30.149  176.382   40.846  232.656   44.688  298.804   35.030  343.373   33.349 -44.56927 48.36589 
1 1 1   -4    1   19 o  541.890   18.699  576.428   39.524  557.123   54.934  597.146   56.909  532.494   26.436  551.286   26.453 -18.79260 37.39820 
1 1 1   -4    1   20 o  761.919   21.688  1142.93   64.461  1115.95   89.616  1171.85   92.789  752.648   30.511  771.190   30.832 -18.54248 43.37696 
1 1 1   -4    1   21 o  503.311   25.755  500.859   50.547  476.067   70.068  527.762   72.990  490.304   36.620  516.319   36.226 -26.01581 51.51050 
1 1 1   -4    1   22 o  1142.86   28.128  2596.22  125.438  2573.72  176.050  2619.43  178.773  1137.90   39.646  1147.82   39.911 -9.917236 56.25595 
1 1 1   -4    1   23 o  741.279   30.430  1096.95   88.019  1082.71  123.527  1111.64  125.452  736.412   42.984  746.146   43.085 -9.733765 60.85984 
1 1 1   -4    1   24 o  450.486   18.246  399.478   32.073  395.784   45.052  403.273   45.671  448.384   25.747  452.588   25.859 -4.204712 36.49113 
1 1 1   -4    1   25 o  194.338   21.068   76.438   15.336   92.072   21.754   60.992   21.623  216.130   25.792  172.545   33.319 43.58580 42.13570 
1 1 1   -4    1   26 o  778.183   22.414  1203.61   68.066  1208.68   96.130  1198.51   96.390  779.878   31.586  776.489   31.810 3.389709 44.82833 
1 1 1   -4    1   27 o  218.170   20.546   94.875   17.315   78.373   24.106  112.466   24.888  198.214   31.165  238.126   26.782 -39.91196 41.09174 
1 1 1   -4    1   28 o  585.623   20.155  684.114   46.038  668.005   63.873  701.532   66.417  578.553   28.290  592.693   28.716 -14.14081 40.31055 
1 1 1   -4    1   29 o  184.279   23.508   69.849   16.545   66.570   23.444   73.103   23.351  178.217   34.959  190.340   31.437 -12.12288 47.01506 
1 1 1   -4    1   30 o  457.683   31.588  438.530   56.119  420.045   75.024  462.012   84.558  448.076   42.906  467.290   46.370 -19.21478 63.17502 
1 1 1   -4    1   31 o  511.523   20.451  527.915   40.790  514.621   56.321  542.579   59.154  504.961   28.581  518.084   29.258 -13.12277 40.90147 
1 1 1   -4    1   32 o  489.852   20.936  485.625   39.931  459.288   54.286  516.675   58.943  475.675   29.245  504.030   29.967 -28.35458 41.87214 
1 1 1   -4    1   33 o  186.226   25.849   74.293   18.366   61.795   25.920   86.894   26.026  167.465   40.177  204.987   32.535 -37.52272 51.69816 
1 1 1   -4    1   34 o  488.188   39.777  513.238   75.780  513.238   75.780   0.0000   0.0000  488.188   39.777  ?   ?       ?      ? 
1 1 1   -4    1   35 o  278.749   23.504  162.985   25.476  145.513   35.333  181.905   36.767  262.445   34.499  295.053   31.932 -32.60800 47.00879 
1 1 1   -4    1   36 o  416.234   22.177  362.325   35.996  366.502   50.174  357.894   51.670  419.320   30.662  413.148   32.048 6.172028 44.35379 
1 1 1   -4    1   37 o   74.620   22.983  -2.2000   12.495   6.5785   19.499  -8.3171   16.277   85.095   35.438   64.144   29.275 20.95084 45.96573 
1 1 1   -4    2    1 o  586.855   22.128  688.353   49.265  738.398   64.090  616.077   77.021  613.865   26.754  559.846   35.254 54.01868 44.25644 
1 1 1   -4    2    2 o  700.622   20.622  962.609   56.379  972.629   80.208  952.824   79.264  704.222   29.186  697.021   29.140 7.200989 41.24326 
1 1 1   -4    2    3 o  230.630   18.583  100.174   15.779  116.356   28.172   92.778   19.047  243.539   29.643  217.720   22.417 25.81941 37.16520 
1 1 1   -4    2    4 o  1181.97   28.456  2746.80  130.981  2864.18  192.879  2646.36  178.432  1205.10   41.014  1158.83   39.457 46.27014 56.91186 
1 1 1   -4    2    5 o  655.032   28.235  846.168   72.171  841.588  101.531  850.845  102.608  653.258   39.827  656.805   40.033 -3.546875 56.46964 
1 1 1   -4    2    6 o  1624.60   36.916  5251.08  234.021  5282.98  333.674  5220.21  328.302  1629.29   52.480  1619.91   51.934 9.380249 73.83262 
1 1 1   -4    2    7 o  790.968   21.922  1228.70   67.625  1266.54   97.777  1194.00   93.631  802.588   31.218  779.348   30.786 23.24011 43.84489 
1 1 1   -4    2    8 o  353.114   16.580  244.258   22.827  259.406   32.780  229.998   31.805  363.759   23.092  342.469   23.798 21.28955 33.16047 
1 1 1   -4    2    9 o  509.358   18.140  509.123   36.039  529.839   51.915  489.854   50.068  519.353   25.615  499.362   25.693 19.99130 36.28025 
1 1 1   -4    2   10 o  133.213   24.540   36.905   13.070   28.098   19.336   44.314   17.734  119.412   37.355  147.014   31.833 -27.60166 49.07919 
1 1 1   -4    2   11 o  404.233   21.098  320.255   31.235  331.899   54.986  314.707   37.954  408.686   34.477  399.780   24.328 8.906647 42.19590 
1 1 1   -4    2   12 o  560.324   18.871  619.834   41.245  643.033   59.381  598.210   57.330  570.448   26.675  550.200   26.701 20.24762 37.74249 
1 1 1   -4    2   13 o  288.207   16.502  163.572   18.544  154.314   25.902  173.306   26.560  279.799   23.722  296.614   22.946 -16.81497 33.00404 
1 1 1   -4    2   14 o  418.394   17.335  344.860   28.303  345.701   39.877  344.006   40.178  418.928   24.392  417.860   24.639 1.068604 34.67078 
1 1 1   -4    2   15 o  106.939   19.100   23.391   7.9808   21.801   11.225   25.017   11.349  103.358   27.391  110.520   26.628 -7.162552 38.20080 
1 1 1   -4    2   16 o  498.475   18.174  488.433   35.345  502.630   50.530  474.831   49.459  505.579   25.611  491.371   25.793 14.20712 36.34838 
1 1 1   -4    2   17 o  837.309   22.806  1382.50   74.494  1354.51  103.706  1412.33  107.076  828.611   32.072  846.007   32.433 -17.39600 45.61224 
1 1 1   -4    2   18 o  1139.72   56.520  2616.37  251.380  2616.37  251.380   0.0000   0.0000  1139.72   56.520  ?   ?       ?      ? 
1 1 1   -4    2   19 o  114.198   20.306   26.436   9.3272   16.882   13.009   36.543   13.380   94.319   30.764  134.076   26.511 -39.75699 40.61152 
1 1 1   -4    2   20 o  985.957   25.271  1920.67   97.188  1966.09  140.041  1878.47  134.987  997.103   35.990  974.812   35.485 22.29083 50.54148 
1 1 1   -4    2   21 o  1371.41   32.485  3726.71  172.732  3508.21  229.184  4014.05  262.815  1326.37   44.278  1416.44   47.547 -90.07214 64.97092 
1 1 1   -4    2   22 o  874.503   28.750  1533.17   93.437  1560.96  116.353  1482.70  156.794  888.454   33.559  860.551   46.690 27.90295 57.49911 
1 1 1   -4    2   23 o  750.158   30.642  1123.45   89.678  1096.54  125.083  1151.91  128.639  740.950   43.259  759.366   43.410 -18.41534 61.28442 
1 1 1   -4    2   24 o  316.232   17.904  195.225   21.960  167.602   29.733  228.379   32.573  291.732   26.117  340.732   24.497 -48.99957 35.80788 
1 1 1   -4    2   25 o  310.723   18.468  190.265   22.359  188.340   30.708  192.436   32.619  309.133   25.455  312.313   26.764 -3.179260 36.93601 
1 1 1   -4    2   26 o  219.131   20.118   94.931   17.047   78.584   23.462  113.210   24.810  198.977   30.215  239.285   26.569 -40.30826 40.23557 
1 1 1   -4    2   27 o  552.180   19.894  606.141   42.855  615.102   60.146  596.900   61.077  556.482   27.696  547.878   28.567 8.604248 39.78864 
1 1 1   -4    2   28 f  509.377   19.774  517.964   39.269  545.257   55.663  490.922   55.407  523.018   27.272  495.737   28.640 27.28116 39.54807 
1 1 1   -4    2   29 o  595.149   29.672  712.400   68.913   0.0000   0.0000  712.400   68.913  ?   ?   595.149   29.672      ?      ? 
1 1 1   -4    2   30 o  176.795   36.547   71.372   22.695   75.170   24.491   48.294   60.370  189.333   34.415  164.256   64.485 25.07730 73.09354 
1 1 1   -4    2   31 o  373.319   20.403  281.734   29.640  284.680   40.570  278.361   43.410  375.931   27.654  370.706   30.007 5.225403 40.80687 
1 1 1   -4    2   32 o  298.311   21.764  180.046   25.167  153.554   34.127  211.632   37.263  273.954   31.922  322.669   29.593 -48.71500 43.52868 
1 1 1   -4    2   33 o  561.719   21.861  649.468   47.802  651.028   65.447  647.683   69.985  563.511   29.762  559.927   32.029 3.583252 43.72196 
1 1 1   -4    2   34 o  151.850   28.715   46.345   17.505   77.476   29.196   28.872   21.873  186.121   41.278  117.578   39.930 68.54312 57.43065 
1 1 1   -4    2   35 o  385.419   21.969  310.185   32.884  341.486   46.361  278.493   46.650  406.439   29.230  364.399   32.805 42.04074 43.93846 
1 1 1   -4    2   36 o  447.016   21.982  417.508   38.287  445.366   54.425  390.212   53.872  462.665   30.144  431.368   32.003 31.29639 43.96397 
1 1 1   -4    2   37 o  217.475   27.147   97.617   21.694  169.944   35.167   53.183   27.564  283.836   31.749  151.115   44.042 132.7214 54.29314 
1 1 1   -4    3    1 o  1168.79   38.788  2707.23  176.531  2828.80  260.223  2603.59  240.273  1192.61   55.913  1144.97   53.775 47.64429 77.57603 
1 1 1   -4    3    2 o  661.940   26.424  858.058   68.077  926.151  100.817  800.988   92.296  685.910   37.665  637.969   37.073 47.94171 52.84896 
1 1 1   -4    3    3 o  245.516   16.777  109.501   15.411   89.304   18.805  150.794   26.889  213.586   22.562  277.447   24.835 -63.86105 33.55337 
1 1 1   -4    3    4 o  1219.71   41.651  2959.33  197.682  3110.66  293.267  2833.31  267.620  1247.55   60.238  1191.88   57.538 55.67371 83.30243 
1 1 1   -4    3    5 o  1479.39   34.034  4339.46  196.452  4386.35  281.008  4294.64  274.749  1487.06   48.424  1471.72   47.839 15.33960 68.06895 
1 1 1   -4    3    6 o  670.327   20.171  881.944   52.759  897.846   75.378  866.674   73.868  676.243   28.563  664.411   28.490 11.83221 40.34282 
1 1 1   -4    3    7 o  772.112   21.752  1172.37   65.539  1185.08   93.074  1159.86   92.304  776.272   30.724  767.952   30.800 8.319702 43.50443 
1 1 1   -4    3    8 o  422.774   17.177  349.796   28.296  377.456   41.121  324.921   38.996  438.633   24.023  406.915   24.558 31.71765 34.35376 
1 1 1   -4    3    9 o  615.763   19.495  745.964   46.841  755.068   66.779  737.146   65.720  619.451   27.625  612.076   27.514 7.375061 38.98951 
1 1 1   -4    3   10 o  462.321   35.814  424.286   64.614  424.286   64.614   0.0000   0.0000  462.321   35.814  ?   ?       ?      ? 
1 1 1   -4    3   11 o  484.990   17.976  463.826   34.022  466.159   48.222  461.513   48.007  486.206   25.415  483.774   25.429 2.431732 35.95252 
1 1 1   -4    3   12 o  268.307   16.580  141.901   17.356  145.228   24.517  138.559   24.573  271.495   23.141  265.118   23.752 6.376312 33.16076 
1 1 1   -4    3   13 o  416.973   17.353  342.828   28.235  338.352   39.722  347.400   40.143  414.217   24.574  419.730   24.508 -5.513611 34.70597 
1 1 1   -4    3   14 o  347.201   16.849  236.947   22.786  257.948   32.812  217.385   31.668  362.117   23.219  332.285   24.422 29.83182 33.69820 
1 1 1   -4    3   15 o  630.309   19.788  783.093   48.672  781.758   68.669  784.440   68.996  629.779   27.941  630.839   28.027 -1.059875 39.57520 
1 1 1   -4    3   16 o  435.905   17.573  373.276   29.885  385.721   42.663  361.285   41.876  443.058   24.675  428.751   25.028 14.30655 35.14632 
1 1 1   -4    3   17 o  139.943   23.221   40.677   12.238   37.044   19.797   42.924   15.568  134.652   36.680  145.234   28.487 -10.58243 46.44262 
1 1 1   -4    3   18 f  160.833   25.226   52.257   13.669   52.627   15.618   51.046   28.254  163.739   24.443  157.926   44.136 5.813614 50.45207 
1 1 1   -4    3   19 o  683.648   20.592  919.672   54.933  915.300   77.264  924.141   78.119  682.023   29.030  685.273   29.212 -3.249756 41.18332 
1 1 1   -4    3   20 o  168.695   19.658   58.140   12.304   72.553   17.222   43.115   17.584  192.296   22.950  145.093   31.923 47.20374 39.31619 
1 1 1   -4    3   21 o  304.625   17.455  182.285   20.723  181.676   28.553  182.963   30.122  304.139   24.057  305.109   25.299 -0.9700317 34.91100 
1 1 1   -4    3   22 o  423.105   21.144  344.475   33.055  327.517   40.235  379.684   57.976  408.126   25.262  438.083   33.913 -29.95773 42.28779 
1 1 1   -4    3   23 o  692.336   29.929  945.943   80.862   0.0000   0.0000  945.943   80.862  ?   ?   692.336   29.929      ?      ? 
1 1 1   -4    3   24 o  1188.07   29.097  2816.21  134.801  2759.16  186.320  2878.88  195.270  1175.81   40.606  1200.33   41.687 -24.51501 58.19497 
1 1 1   -4    3   25 o  354.737   18.748  247.109   25.867  234.631   34.888  262.341   38.547  344.927   25.919  364.547   27.096 -19.62030 37.49666 
1 1 1   -4    3   26 o  472.072   19.220  440.448   35.346  430.624   48.359  451.716   51.790  466.581   26.560  477.563   27.790 -10.98242 38.44066 
1 1 1   -4    3   27 o  434.582   19.260  374.939   32.572  372.754   44.391  377.487   47.942  433.487   26.241  435.678   28.198 -2.191772 38.51946 
1 1 1   -4    3   28 o  197.679   21.453   78.353   16.542   78.666   23.078   78.022   23.722  198.171   29.842  197.186   30.827 0.9850464 42.90530 
1 1 1   -4    3   29 o  910.069   36.445  1692.70  129.434   0.0000   0.0000  1692.70  129.434  ?   ?   910.069   36.445      ?      ? 
1 1 1   -4    3   30 o  144.194   38.221 -12.7160   15.610 -19.9291   15.996  131.346   71.487   55.785   26.583  232.604   71.672 -176.8193 76.44267 
1 1 1   -4    3   31 o  263.978   22.239  141.404   22.883  134.479   31.473  149.170   33.329  257.168   31.361  270.789   31.540 -13.62018 44.47801 
1 1 1   -4    3   32 o  200.059   26.462   85.684   20.021   73.103   29.167   96.893   27.532  182.773   41.801  217.345   32.461 -34.57208 52.92490 
1 1 1   -4    3   33 o  159.802   26.948   57.047   17.806   30.741   26.198   79.629   24.273  123.271   43.601  196.334   31.681 -73.06316 53.89579 
1 1 1   -4    3   34 o  493.321   28.185  524.282   54.141  538.695   79.592  511.870   73.863  498.337   40.927  488.306   38.762 10.03140 56.36938 
1 1 1   -4    3   35 o   93.601   25.748   13.863   13.156   9.1128   22.956   16.186   16.054   93.604   38.672   93.599   34.005 0.5058289E-02 51.49603 
1 1 1   -4    3   36 o  325.313   22.727  221.717   28.659  256.567   41.529  190.029   39.600  350.938   30.325  299.688   33.860 51.24966 45.45419 
1 1 1   -4    4    1 o  265.139   40.213  142.834   29.274  143.233   31.468  140.271   79.792  270.151   29.849  260.126   74.682 10.02545 80.42622 
1 1 1   -4    4    2 o  540.362   25.382  575.072   53.390  626.852   76.008  524.639   75.012  564.568   34.499  516.157   37.241 48.41119 50.76498 
1 1 1   -4    4    3 o  668.029   63.270  956.741  104.641  887.211  286.071  967.481  112.432  635.961  119.660  700.097   41.153 -64.13660 126.5393 
1 1 1   -4    4    4 o  353.697   22.333  244.939   30.698  278.360   44.794  215.342   42.154  376.448   30.492  330.945   32.640 45.50247 44.66659 
1 1 1   -4    4    5 o  768.206   25.408  1176.50   74.082  1227.41   95.566  1099.85  117.270  790.235   30.989  746.177   40.273 44.05774 50.81591 
1 1 1   -4    4    6 o  1276.15   36.157  3285.49  176.658  3490.94  233.229  3008.99  270.572  1326.53   45.054  1225.77   56.565 100.7661 72.31469 
1 1 1   -4    4    7 o  740.936   26.093  1110.68   72.918  1208.64   94.539  966.821  114.565  783.606   30.916  698.267   42.044 85.33917 52.18679 
1 1 1   -4    4    8 o  330.275   16.458  214.067   21.200  223.375   30.110  204.915   29.856  337.428   22.866  323.121   23.677 14.30670 32.91625 
1 1 1   -4    4    9 o  178.816   22.715   62.534   15.321   81.139   23.748   49.268   20.053  202.790   30.009  154.841   34.107 47.94922 45.42992 
1 1 1   -4    4   10 o  299.347   16.084  176.236   18.778  184.111   26.676  168.501   26.436  306.018   22.338  292.676   23.146 13.34213 32.16734 
1 1 1   -4    4   11 o   72.754   17.677   9.4647   6.0932   7.9522   8.6197   10.975   8.6144   69.297   24.956   76.211   25.043 -6.913780 35.35444 
1 1 1   -4    4   12 o  654.455   20.139  847.970   51.429  836.854   72.103  859.481   73.376  650.110   28.421  658.800   28.541 -8.689819 40.27804 
1 1 1   -4    4   13 o  595.137   19.359  698.990   44.935  676.332   62.327  723.515   64.844  585.126   27.296  605.148   27.458 -20.02155 38.71712 
1 1 1   -4    4   14 o  234.571   16.790  108.209   15.368  107.414   21.559  109.031   21.914  233.703   23.639  235.438   23.851 -1.735458 33.58089 
1 1 1   -4    4   15 o  295.250   16.749  171.054   19.271  158.829   26.780  184.183   27.752  284.284   24.139  306.216   23.224 -21.93167 33.49726 
1 1 1   -4    4   16 o  232.089   17.165  105.656   15.492   94.052   21.485  118.224   22.360  218.775   25.166  245.404   23.349 -26.62819 34.32903 
1 1 1   -4    4   17 o  145.722   28.131   40.152   15.411   34.496   18.374   53.573   28.301  130.003   35.305  161.441   43.806 -31.43774 56.26176 
1 1 1   -4    4   18 o  792.640   22.183  1237.33   68.597  1265.56   98.391  1210.62   95.687  801.413   31.461  783.867   31.281 17.54535 44.36506 
1 1 1   -4    4   19 o  438.172   18.082  376.781   30.891  369.844   42.643  384.442   44.810  433.976   25.179  442.369   25.957 -8.393066 36.16331 
1 1 1   -4    4   20 o  1055.23   26.557  2205.06  109.331  2177.04  152.546  2234.66  156.775  1048.45   37.284  1062.01   37.828 -13.55420 53.11382 
1 1 1   -4    4   21 o  369.025   18.150  268.261   26.061  275.809   35.832  259.785   37.973  374.669   24.507  363.379   26.778 11.28992 36.29972 
1 1 1   -4    4   22 o  714.034   41.993  1016.34  117.012   0.0000   0.0000  1016.34  117.012  ?   ?   714.034   41.993      ?      ? 
1 1 1   -4    4   23 o  363.545   21.720  252.507   29.401  289.262   51.095  234.313   35.948  382.141   34.263  344.949   26.705 37.19226 43.44062 
1 1 1   -4    4   24 o  1073.97   27.118  2296.04  113.578  2257.28  157.321  2338.24  164.143  1064.79   37.861  1083.15   38.833 -18.36377 54.23541 
1 1 1   -4    4   25 o  731.553   21.862  1060.24   62.363  1047.19   86.280  1074.52   90.242  727.027   30.411  736.079   31.416 -9.052124 43.72400 
1 1 1   -4    4   26 o  242.254   20.375  115.868   19.209  108.456   26.019  124.747   28.478  233.824   28.515  250.685   29.110 -16.86075 40.74962 
1 1 1   -4    4   27 o  460.680   19.570  421.498   35.065  414.836   47.522  429.460   51.953  457.010   26.647  464.351   28.670 -7.340698 39.14096 
1 1 1   -4    4   28 o  370.961   20.029  275.855   28.853  282.797   39.238  267.683   42.573  376.556   26.702  365.365   29.859 11.19061 40.05708 
1 1 1   -4    4   29 o  1028.03   39.384  2179.42  157.999   0.0000   0.0000  2179.42  157.999  ?   ?   1028.03   39.384      ?      ? 
1 1 1   -4    4   30 o  252.558   40.567  126.102   26.895  120.759   28.508  169.356   81.112  244.400   29.891  260.716   75.427 -16.31590 81.13393 
1 1 1   -4    4   31 o  336.922   21.293  232.451   27.515  280.418   38.947  184.658   38.876  373.327   26.733  300.517   33.150 72.80917 42.58612 
1 1 1   -4    4   32 o  253.909   23.511  131.819   22.960  104.143   31.191  164.551   33.921  224.002   35.681  283.817   30.626 -59.81482 47.02254 
1 1 1   -4    4   33 o  407.791   23.202  348.174   36.047  359.933   46.810  331.042   56.503  419.294   28.608  396.287   36.537 23.00720 46.40434 
1 1 1   -4    4   34 o  200.122   30.078   88.054   21.822   92.036   38.576   86.180   26.463  197.608   49.988  202.637   33.465 -5.029068 60.15571 
1 1 1   -4    4   35 o  213.336   26.430   99.220   21.286   93.082   31.702  104.260   28.725  203.882   41.261  222.791   33.039 -18.90913 52.85912 
1 1 1   -4    4   36 o  181.411   28.161   69.650   19.026   96.776   31.462   54.011   23.889  208.018   40.213  154.803   39.435 53.21513 56.32210 
1 1 1   -4    5    1 o  188.374   61.573   68.837   52.103   68.837   52.103   0.0000   0.0000  188.374   61.573  ?   ?       ?      ? 
1 1 1   -4    5    2 o  345.369   59.618  253.859   79.704  270.228  113.644  238.013  111.814  356.555   83.196  334.184   85.416 22.37079 119.2365 
1 1 1   -4    5    3 o  207.598   35.208   90.452   22.494   93.090   24.502   76.310   56.741  217.742   28.836  197.455   64.241 20.28699 70.41617 
1 1 1   -4    5    4 o  927.302   32.190  1699.01  116.219  1799.80  171.599  1613.60  157.963  952.398   46.171  902.207   44.866 50.19098 64.37914 
1 1 1   -4    5    5 o  179.510   21.828   64.312   14.991   64.664   21.141   63.957   21.262  181.361   29.871  177.659   31.837 3.702026 43.65648 
1 1 1   -4    5    6 o  805.904   29.708  1280.06   93.087  1381.94  139.144  1197.53  125.242  834.527   42.726  777.282   41.289 57.24438 59.41655 
1 1 1   -4    5    7 o  303.043   19.071  184.962   21.482  196.786   27.099  164.965   35.239  316.783   21.921  289.302   31.213 27.48074 38.14168 
1 1 1   -4    5    8 o  143.577   28.592   45.709   16.410   53.687   18.908   21.360   33.034  162.316   30.981  124.838   48.064 37.47791 57.18391 
1 1 1   -4    5    9 o  1023.28   30.621  2125.75  120.554  2344.48  163.581  1865.74  178.355  1084.40   38.655  962.149   47.502 122.2535 61.24267 
1 1 1   -4    5   10 o  278.703   19.511  150.810   20.234  144.849   24.872  162.475   34.794  271.193   23.502  286.214   31.152 -15.02103 39.02272 
1 1 1   -4    5   11 o  532.632   18.582  560.401   38.618  573.045   55.105  548.198   54.136  538.550   26.220  526.715   26.337 11.83459 37.16381 
1 1 1   -4    5   12 o  386.743   17.173  294.954   25.909  304.011   36.624  285.880   36.657  392.751   23.895  380.734   24.672 12.01694 34.34665 
1 1 1   -4    5   13 f  628.902   19.828  780.969   48.659  793.111   69.160  769.067   68.473  633.763   27.964  624.041   28.117 9.721130 39.65549 
1 1 1   -4    5   14 o  446.526   17.683  392.179   30.807  403.729   43.893  380.965   43.249  453.030   24.828  440.022   25.187 13.00897 35.36644 
1 1 1   -4    5   15 o  1148.80   28.162  2619.71  126.123  2697.30  183.426  2550.12  173.701  1164.63   40.359  1132.97   39.287 31.66052 56.32347 
1 1 1   -4    5   16 o  1096.35   33.342  2419.26  136.057  2338.72  227.453  2464.15  169.781  1078.01   54.068  1114.70   39.030 -36.68860 66.68333 
1 1 1   -4    5   17 o  712.097   26.302  974.604   66.685  935.378   78.762  1073.91  125.319  689.390   29.276  734.805   43.703 -45.41425 52.60308 
1 1 1   -4    5   18 o  101.090   21.657   19.985   9.4008   15.399   13.111   24.837   13.487   91.592   30.915  110.589   30.337 -18.99744 43.31360 
1 1 1   -4    5   19 o  992.719   31.230  1972.83  115.286  1923.25  193.639  2000.05  143.488  979.919   50.637  1005.52   36.567 -25.60071 62.46056 
1 1 1   -4    5   20 o  951.900   30.917  1781.31  107.133  1873.16  191.299  1739.34  129.314  966.114   50.740  937.685   35.339 28.42932 61.83402 
1 1 1   -4    5   21 o  577.419   23.459  672.598   50.697  713.006   64.436  606.939   82.138  601.827   27.436  553.010   38.061 48.81610 46.91883 
1 1 1   -4    5   22 o  542.175   37.164  583.448   78.632   0.0000   0.0000  583.448   78.632  ?   ?   542.175   37.164      ?      ? 
1 1 1   -4    5   23 o  1333.34   31.975  3508.88  164.207  3248.89  212.754  3891.94  258.251  1275.04   42.758  1391.64   47.554 -116.5999 63.95018 
1 1 1   -4    5   24 o  561.826   20.015  621.680   43.738  605.528   59.188  641.113   64.919  554.018   27.376  569.634   29.204 -15.61621 40.02929 
1 1 1   -4    5   25 o  273.000   20.367  149.662   21.368  165.971   28.952  130.150   31.668  289.986   25.584  256.014   31.698 33.97202 40.73457 
1 1 1   -4    5   26 o  534.194   20.172  567.196   41.937  575.363   57.482  557.903   61.320  538.685   27.344  529.703   29.665 8.981689 40.34485 
1 1 1   -4    5   27 o  355.595   19.861  250.393   27.313  241.019   36.007  263.096   41.917  348.209   26.498  362.982   29.592 -14.77356 39.72196 
1 1 1   -4    5   28 o  451.561   31.048  410.369   54.712   0.0000   0.0000  410.369   54.712  ?   ?   451.561   31.048      ?      ? 
1 1 1   -4    5   29 o  318.584   41.650  186.881   31.036  176.784   32.580  285.926  102.042  296.590   28.149  340.578   78.401 -43.98740 83.30082 
1 1 1   -4    5   30 o  416.452   20.414  349.369   32.971  344.696   44.126  355.276   49.610  414.027   27.311  418.877   30.349 -4.849518 40.82842 
1 1 1   -4    5   31 o  593.021   22.121  712.466   50.788  687.323   67.245  745.851   77.488  582.212   29.597  603.830   32.884 -21.61853 44.24212 
1 1 1   -4    5   32 o  460.693   22.264  438.468   39.563  460.171   53.035  411.236   59.406  475.632   28.573  445.754   34.151 29.87726 44.52790 
1 1 1   -4    5   33 o   86.924   24.469   10.349   12.067  -2.4725   23.696   14.838   14.020   84.411   37.140   89.438   31.868 -5.027191 48.93843 
1 1 1   -4    5   34 o  247.146   29.103  130.181   25.481  146.346   45.787  122.928   30.670  251.858   48.344  242.434   32.418 9.424133 58.20668 
1 1 1   -4    5   35 o  169.681   27.756   61.692   17.729   79.474   28.696   50.714   22.547  188.530   40.230  150.831   38.249 37.69901 55.51122 
1 1 1   -4    5   36 o  278.310   24.404  165.229   26.371  158.996   38.730  170.616   36.006  272.049   36.481  284.570   32.423 -12.52170 48.80735 
1 1 1   -4    6    1 o  293.825   55.580  183.001   64.985  185.473   92.029  180.544   91.778  295.744   78.451  291.907   78.752 3.837067 111.1598 
1 1 1   -4    6    2 f  438.872   66.966  416.259  111.354  386.912  155.553  447.106  159.478  421.932   96.560  455.812   92.811 -33.88004 133.9321 
1 1 1   -4    6    3 o  124.993   32.607   24.499   21.043   28.266   29.883   20.795   29.636  129.379   46.480  120.606   45.742 8.772743 65.21332 
1 1 1   -4    6    4 o  852.394   77.358  1580.48  146.911  1582.09  155.331  1566.84  452.355  892.416   44.603  812.373  148.148 80.04279 154.7170 
1 1 1   -4    6    5 o  461.604   52.102  463.234   59.029  470.041   63.278  417.599  163.842  488.195   33.215  435.013   98.770 53.18222 104.2049 
1 1 1   -4    6    6 o  1002.03   95.289  2437.76  225.308  2483.29  242.177  2144.65  614.428  1109.43   55.937  894.627  182.184 214.8033 190.5776 
1 1 1   -4    6    7 o  637.181  124.548  961.719  298.591   0.0000   0.0000  961.719  298.591  ?   ?   637.181  124.548      ?      ? 
1 1 1   -4    6    8 o  327.613   22.810  212.623   29.161  214.349   41.237  210.897   41.243  328.964   32.123  326.263   32.393 2.701050 45.61987 
1 1 1   -4    6    9 o  413.551   20.633  341.655   32.019  350.724   40.428  326.393   52.445  421.834   24.559  405.267   33.161 16.56662 41.26526 
1 1 1   -4    6   10 o  952.265   29.450  1851.56  107.455  2011.99  143.449  1646.43  162.201  1003.25   36.640  901.278   46.117 101.9754 58.90069 
1 1 1   -4    6   11 o  778.780   25.970  1233.13   77.462  1392.65  105.055  1043.07  114.673  837.093   32.160  720.466   40.786 116.6267 51.94001 
1 1 1   -4    6   12 o  510.466   21.320  527.550   40.963  568.144   52.757  465.926   65.002  536.870   25.181  484.062   34.411 52.80865 42.64024 
1 1 1   -4    6   13 o  168.512   21.837   54.210   13.011   49.673   15.468   65.183   24.057  158.875   24.948  178.148   35.846 -19.27335 43.67315 
1 1 1   -4    6   14 o  374.667   22.633  291.582   30.418  319.573   37.517  237.881   51.964  403.298   23.838  346.036   38.482 57.26233 45.26687 
1 1 1   -4    6   15 o  275.417   20.389  150.018   21.148  146.893   34.600  151.882   26.720  272.774   32.504  278.060   24.625 -5.285248 40.77827 
1 1 1   -4    6   16 o  266.718   23.347  131.486   20.673  124.138   23.393  157.691   44.177  251.495   23.836  281.941   40.152 -30.44644 46.69346 
1 1 1   -4    6   17 o  188.605   30.330   90.345   19.110  103.732   21.190   32.034   44.225  229.932   23.616  147.279   55.874 82.65199 60.65953 
1 1 1   -4    6   18 o  732.959   21.571  1057.16   61.643  1037.64   85.060  1078.74   89.459  725.949   30.025  739.970   30.980 -14.02106 43.14231 
1 1 1   -4    6   19 o  1465.40   42.362  4358.47  229.692  4320.63  390.818  4378.43  283.899  1451.74   68.985  1479.06   49.187 -27.32031 84.72468 
1 1 1   -4    6   20 o  877.897   47.160  1541.97  161.565   0.0000   0.0000  1541.97  161.565  ?   ?   877.897   47.160      ?      ? 
1 1 1   -4    6   21 o  657.140   30.426  852.039   78.026   0.0000   0.0000  852.039   78.026  ?   ?   657.140   30.426      ?      ? 
1 1 1   -4    6   22 o  736.582   42.702  1083.17  122.745   0.0000   0.0000  1083.17  122.745  ?   ?   736.582   42.702      ?      ? 
1 1 1   -4    6   23 o  464.338   19.245  425.536   34.751  432.270   47.431  417.730   51.061  468.524   25.942  460.153   28.435 8.370850 38.49046 
1 1 1   -4    6   24 o  526.336   20.242  548.847   41.423  566.756   56.791  528.489   60.551  535.866   27.157  516.805   30.023 19.06104 40.48375 
1 1 1   -4    6   25 o  531.357   20.351  561.377   42.053  596.628   58.453  523.556   60.546  549.122   27.277  513.592   30.209 35.53046 40.70180 
1 1 1   -4    6   26 o  997.474   26.559  1997.57  102.962  1925.97  138.540  2085.91  153.885  978.648   36.276  1016.30   38.801 -37.65326 53.11730 
1 1 1   -4    6   27 o  601.648   31.449  726.264   73.838   0.0000   0.0000  726.264   73.838  ?   ?   601.648   31.449      ?      ? 
1 1 1   -4    6   28 o  394.253   20.771  314.336   31.671  331.993   42.860  293.100   47.005  407.427   26.957  381.080   31.608 26.34686 41.54205 
1 1 1   -4    6   29 o  430.308   40.265  376.297   58.007  348.173   65.967  472.184  121.807  409.002   41.331  451.613   69.115 -42.61139 80.53031 
1 1 1   -4    6   30 o  407.506   21.335  339.840   33.534  375.855   45.938  298.753   49.065  432.249   27.233  382.764   32.848 49.48453 42.66926 
1 1 1   -4    6   31 o  716.675   35.963  1062.29  100.580   0.0000   0.0000  1062.29  100.580  ?   ?   716.675   35.963      ?      ? 
1 1 1   -4    6   32 o  255.630   23.100  135.598   22.912  147.974   31.947  122.488   32.879  268.618   30.476  242.643   34.724 25.97519 46.20088 
1 1 1   -4    6   33 o   89.853   23.987   12.394   12.605 -15.7124   24.629   22.367   14.672   76.209   35.228  103.496   32.566 -27.28655 47.97441 
1 1 1   -4    6   34 o  109.268   28.630   23.716   15.313 -10.1992   39.305   29.784   16.626  101.206   45.919  117.330   34.208 -16.12446 57.26036 
1 1 1   -4    6   35 o  268.579   24.113  153.683   25.013  136.778   36.444  168.739   34.393  252.696   36.957  284.461   30.983 -31.76578 48.22620 
1 1 1   -4    6   36 o  106.066   27.688   22.148   14.843   6.5516   29.869   27.262   17.104   99.790   42.807  112.342   35.131 -12.55147 55.37699 
1 1 1   -4    7    1 o  366.184   62.015  290.911   87.459  293.566  123.842  288.270  123.529  367.923   87.526  364.445   87.880 3.477386 124.0310 
1 1 1   -4    7    2 o  645.300   85.977  947.880  208.568  948.329  294.989  947.430  294.929  645.471  121.571  645.129  121.609 0.3412476 171.9546 
1 1 1   -4    7    3 o  280.994   54.710  168.838   61.894  167.727   87.500  169.950   87.563  280.107   77.452  281.880   77.290 -1.773682 109.4193 
1 1 1   -4    7    4 o  381.581   90.055  320.128  131.941   0.0000   0.0000  320.128  131.941  ?   ?   381.581   90.055      ?      ? 
1 1 1   -4    7    5 o  507.541   53.542  506.452   68.497  493.808   73.174  595.973  194.710  498.872   37.587  516.210  100.270 -17.33783 107.0832 
1 1 1   -4    7    6 o  179.906   36.320   62.285   22.217   60.422   24.472   71.017   52.981  171.114   37.669  188.698   62.110 -17.58386 72.64022 
1 1 1   -4    7    7 o  252.334   39.649  137.631   29.521  140.659   32.169  121.480   74.302  266.527   30.929  238.142   73.019 28.38515 79.29888 
1 1 1   -4    7    8 f  555.129   58.890  735.089   80.879  759.858   87.589  591.762  210.697  617.046   36.375  493.212  112.022 123.8345 117.7794 
1 1 1   -4    7    9 o  412.559   22.487  337.917   36.177  356.236   51.984  320.713   50.378  423.471   31.457  401.646   32.141 21.82492 44.97341 
1 1 1   -4    7   10 o  835.541   31.923  1407.01  103.518  1459.75  155.838  1365.35  138.486  848.214   47.080  822.869   43.126 25.34448 63.84666 
1 1 1   -4    7   11 o  429.406   20.888  375.732   33.593  412.566   43.286  319.947   53.270  457.642   24.237  401.169   34.027 56.47299 41.77648 
1 1 1   -4    7   12 o  702.437   24.592  989.145   65.259  1022.00   83.351  937.106  104.905  719.260   29.696  685.613   39.209 33.64734 49.18492 
1 1 1   -4    7   13 o  1285.87   36.440  3373.88  180.057  3644.43  241.451  3034.94  270.255  1348.96   45.867  1222.78   56.636 126.1873 72.87946 
1 1 1   -4    7   14 o  618.584   27.104  759.379   65.395  732.650   92.482  786.110   92.484  607.511   39.010  629.657   37.638 -22.14612 54.20702 
1 1 1   -4    7   15 o  1262.71   37.547  3195.95  173.203  3181.18  210.798  3226.65  303.874  1264.70   42.712  1260.73   61.765 3.968750 75.09444 
1 1 1   -4    7   16 o  675.576   24.533  864.202   60.060  806.590   71.543  1001.72  110.531  640.308   28.632  710.844   39.845 -70.53607 49.06548 
1 1 1   -4    7   17 o  320.222   25.815  199.925   26.576  197.788   29.971  207.788   57.488  317.455   24.193  322.989   45.610 -5.534760 51.62907 
1 1 1   -4    7   18 o  617.643   25.791  728.681   55.375  699.253   64.380  812.353  108.558  596.283   27.667  639.003   43.534 -42.71985 51.58195 
1 1 1   -4    7   19 o  459.241   24.950  417.151   44.704  405.295   62.916  429.241   63.531  452.591   35.622  465.891   34.944 -13.30014 49.90017 
1 1 1   -4    7   20 o  631.447   30.955  786.773   76.279   0.0000   0.0000  786.773   76.279  ?   ?   631.447   30.955      ?      ? 
1 1 1   -4    7   21 o  679.188   31.400  911.100   83.225   0.0000   0.0000  911.100   83.225  ?   ?   679.188   31.400      ?      ? 
1 1 1   -4    7   22 o  845.065   28.311  1421.05   88.228  1417.80  108.371  1427.44  151.939  846.485   32.807  843.643   46.151 2.841919 56.62296 
1 1 1   -4    7   23 f  600.024   21.007  709.597   48.866  695.885   65.195  727.176   73.820  593.816   28.134  606.232   31.203 -12.41644 42.01380 
1 1 1   -4    7   24 o  578.403   32.485  593.914   53.549  559.422   57.741  805.961  143.164  531.995   27.813  624.811   58.716 -92.81586 64.96970 
1 1 1   -4    7   25 o  231.541   20.843  106.893   18.755  113.478   25.950   99.692   27.136  239.261   27.793  223.821   31.068 15.44078 41.68513 
1 1 1   -4    7   26 o  868.158   36.423  1519.85  123.398   0.0000   0.0000  1519.85  123.398  ?   ?   868.158   36.423      ?      ? 
1 1 1   -4    7   27 o  304.864   24.108  190.009   28.293  169.363   42.017  207.137   38.269  288.489   37.322  321.239   30.527 -32.74979 48.21693 
1 1 1   -4    7   28 o  206.391   40.383  122.130   29.521  134.563   30.168 -158.1194  143.228  258.447   29.912  154.336   75.023 104.1105 80.76603 
1 1 1   -4    7   29 o  510.626   21.748  532.311   42.901  569.678   58.184  487.795   63.506  532.009   28.025  489.243   33.263 42.76535 43.49529 
1 1 1   -4    7   30 o  309.150   22.080  193.283   26.537  183.160   35.688  205.801   39.686  300.455   30.438  317.845   31.996 -17.39035 44.16096 
1 1 1   -4    7   31 o  589.472   40.315  731.662   92.738   0.0000   0.0000  731.662   92.738  ?   ?   589.472   40.315      ?      ? 
1 1 1   -4    7   32 o  257.988   24.618  137.825   24.480  111.084   33.159  169.856   36.291  229.607   37.007  286.370   32.474 -56.76242 49.23529 
1 1 1   -4    7   33 o  229.471   34.762  142.134   30.290   64.683   53.202  179.283   36.845  165.749   61.617  293.193   32.203 -127.4438 69.52473 
1 1 1   -4    7   34 o  227.617   25.344  110.110   22.382  110.283   33.425  109.970   30.136  226.743   37.775  228.491   33.798 -1.748062 50.68798 
1 1 1   -4    7   35 o  223.738   26.583  109.988   22.253  100.949   33.708  116.971   29.628  211.387   42.338  236.090   32.158 -24.70297 53.16634 
1 1 1   -4    7   36 f  229.937   26.126  114.701   22.263  119.184   35.922  111.904   28.368  229.422   41.657  230.452   31.544 -1.029465 52.25245 
1 1 1   -4    8    1 o  453.624   98.946  461.680  170.227   0.0000   0.0000  461.680  170.227  ?   ?   453.624   98.946      ?      ? 
1 1 1   -4    8    2 o  452.337   99.076  460.867  170.049   0.0000   0.0000  460.867  170.049  ?   ?   452.337   99.076      ?      ? 
1 1 1   -4    8    3 o  355.422   61.008  279.184   84.005  316.677  121.001  244.298  116.717  379.559   83.921  331.286   88.572 48.27295 122.0154 
1 1 1   -4    8    4 f  676.549   95.072  1137.44  242.161  1120.34  341.072  1154.82  343.881  670.694  134.986  682.405  133.914 -11.71130 190.1432 
1 1 1   -4    8    5 o  430.458   69.417  427.622  114.022  420.792  160.818  434.527  161.689  426.650   98.572  434.266   97.766 -7.616364 138.8331 
1 1 1   -4    8    6 o  324.586   44.415  238.316   39.242  245.418   42.634  198.945  100.387  351.817   31.053  297.355   83.226 54.46112 88.83016 
1 1 1   -4    8    7 f  830.036   86.153  1722.52  158.805  1740.50  169.030  1587.28  463.641  926.441   46.753  733.632  165.843 192.8087 172.3069 
1 1 1   -4    8    8 o  465.860   53.986  495.689   62.265  504.412   66.976  440.136  169.018  503.098   34.114  428.622  102.442 74.47614 107.9730 
1 1 1   -4    8    9 f  560.463   60.868  715.164   80.603  721.865   86.087  667.540  229.497  601.125   36.698  519.801  116.072 81.32465 121.7355 
1 1 1   -4    8   10 o  526.759   56.527  579.305   70.536  572.600   74.916  631.665  209.361  536.237   35.800  517.281  107.235 18.95624 113.0530 
1 1 1   -4    8   11 o  659.258   27.178  863.911   69.851  908.491  101.484  823.777   96.290  675.363   38.506  643.153   38.365 32.21033 54.35599 
1 1 1   -4    8   12 o  364.168   23.554  259.824   33.165  214.720   44.756  314.754   49.390  329.221   34.836  399.115   31.711 -69.89456 47.10767 
1 1 1   -4    8   13 o  185.590   24.948   67.783   17.043   58.507   21.547   83.283   27.854  169.141   33.827  202.040   36.678 -32.89914 49.89538 
1 1 1   -4    8   14 f  428.046   22.170  341.317   33.419  317.418   38.940  408.116   65.104  402.013   24.822  454.079   36.740 -52.06610 44.33900 
1 1 1   -4    8   15 o  271.978   22.848  151.125   21.667  158.392   25.811  133.786   39.870  284.135   23.278  259.822   39.323 24.31348 45.69600 
1 1 1   -4    8   16 o  911.036   28.936  1576.72   94.281  1480.05  111.265  1822.90  177.550  866.263   32.914  955.809   47.601 -89.54620 57.87200 
1 1 1   -4    8   17 o  588.061   23.878  665.209   50.489  639.265   60.085  727.540   93.130  570.270   26.999  605.853   39.390 -35.58276 47.75524 
1 1 1   -4    8   18 f  678.857   64.933  1001.30   80.101  1003.82   82.989  967.090  306.269  713.844   29.791  643.871  126.404 69.97272 129.8667 
1 1 1   -4    8   19 o  968.512   30.757  1824.46  107.266  1754.69  127.883  1990.03  197.012  941.765   34.797  995.260   50.725 -53.49554 61.51307 
1 1 1   -4    8   20 o  157.578   36.566   50.255   26.872   65.308   31.722   12.006   50.565  177.398   45.578  137.757   57.192 39.64151 73.13228 
1 1 1   -4    8   21 o  409.553   27.185  303.492   34.304  286.346   37.755  384.617   82.125  381.525   25.358  437.581   48.093 -56.05527 54.36913 
1 1 1   -4    8   22 o  469.345   32.171  489.642   47.003  530.612   53.917  359.907   95.944  518.965   26.623  419.725   58.576 99.24057 64.34239 
1 1 1   -4    8   23 o  612.798   29.583  731.700   59.356  714.521   67.276  792.043  126.089  601.318   28.670  624.278   51.757 -22.96002 59.16688 
1 1 1   -4    8   24 o  323.184   47.972  302.840   40.215  326.928   42.634  108.410  121.126  406.614   26.868  239.754   92.105 166.8600 95.94366 
1 1 1   -4    8   25 o  524.405   21.040  546.629   42.679  541.892   56.636  552.854   64.925  522.442   27.780  526.368   31.607 -3.926208 42.08010 
1 1 1   -4    8   26 o  549.632   25.957  610.036   55.260  622.987   83.716  600.036   73.564  553.661   38.746  545.602   34.551 8.059448 51.91383 
1 1 1   -4    8   27 o  209.835   25.151   91.475   19.602   64.120   27.022  121.862   28.480  173.339   40.651  246.331   29.627 -72.99167 50.30164 
1 1 1   -4    8   28 o  367.226   49.200  160.241   30.962  145.120   31.525  572.238  164.555  268.105   30.131  466.346   93.674 -198.2415 98.40041 
1 1 1   -4    8   29 o  213.975   23.409   93.489   19.516   88.889   27.847   97.929   27.359  208.477   34.228  219.473   31.944 -10.99608 46.81899 
1 1 1   -4    8   30 o  147.534   26.709   45.071   15.048   55.049   24.891   39.322   18.892  159.352   40.068  135.716   35.327 23.63622 53.41769 
1 1 1   -4    8   31 o  347.431   22.960  248.046   30.878  245.453   41.087  251.411   46.805  346.466   30.389  348.395   34.426 -1.928406 45.91964 
1 1 1   -4    8   32 o  315.350   22.209  205.729   27.312  202.231   37.805  209.547   39.500  312.799   30.971  317.901   31.840 -5.101746 44.41832 
1 1 1   -4    8   33 f  678.536   49.768  1050.07  131.783  1050.07  131.783   0.0000   0.0000  678.536   49.768  ?   ?       ?      ? 
1 1 1   -4    8   34 o  316.560   23.005  210.081   28.417  213.743   40.302  206.460   40.074  319.441   32.330  313.679   32.737 5.761658 46.01053 
1 1 1   -4    8   35 o  156.564   28.696   47.074   16.478   81.896   31.688   34.168   19.291  188.639   43.874  124.489   36.999 64.14967 57.39210 
1 1 1   -4    9    1 o  228.701   49.567  111.533   48.427  111.662   68.467  111.404   68.504  228.811   70.082  228.591   70.115 0.2205353 99.13460 
1 1 1   -4    9    2 o  483.711   74.864  553.240  137.391  561.330  194.886  545.246  193.718  487.646  105.478  479.776  106.267 7.870087 149.7275 
1 1 1   -4    9    3 o  181.889   42.544   66.014   35.355   77.435   50.385   54.936   49.623  193.063   60.284  170.714   60.047 22.34904 85.08733 
1 1 1   -4    9    4 o  235.505   50.570  120.027   50.570  122.355   71.616  117.712   71.419  237.514   71.447  233.495   71.587 4.018906 101.1405 
1 1 1   -4    9    5 o  580.630   87.166  852.676  191.402  892.366  273.809  814.748  267.663  595.861  121.863  565.398  124.664 30.46228 174.3324 
1 1 1   -4    9    6 o  150.768   37.874   41.361   28.094   34.763   39.632   48.025   39.830  143.864   53.241  157.671   53.880 -13.80725 75.74734 
1 1 1   -4    9    7 o  544.421   82.564  733.601  170.158  765.172  243.084  703.268  238.269  557.545  115.521  531.297  117.992 26.24823 165.1277 
1 1 1   -4    9    8 o  208.230   34.207  101.041   24.164  111.500   27.233   62.326   52.393  237.334   29.404  179.127   61.773 58.20784 68.41452 
1 1 1   -4    9    9 o  408.614   48.730  346.212   50.700  343.407   54.384  364.833  140.128  416.002   33.500  401.227   91.522 14.77509 97.46004 
1 1 1   -4    9   10 o  916.962   90.601  1989.55  178.320  1993.23  188.383  1957.85  553.012  994.914   48.520  839.010  174.585 155.9037 181.2018 
1 1 1   -4    9   11 o  566.738  114.166  743.777  243.766   0.0000   0.0000  743.777  243.766  ?   ?   566.738  114.166      ?      ? 
1 1 1   -4    9   12 o  1031.47   49.475  2134.25  199.146  2134.25  199.146   0.0000   0.0000  1031.47   49.475  ?   ?       ?      ? 
1 1 1   -4    9   13 o  915.676   48.995  1677.96  175.074  1677.96  175.074   0.0000   0.0000  915.676   48.995  ?   ?       ?      ? 
1 1 1   -4    9   14 o  1628.53   45.240  5352.58  271.564  5276.04  332.761  5505.21  469.900  1621.77   52.579  1635.28   73.634 -13.51611 90.47964 
1 1 1   -4    9   15 o  1182.42   34.876  2650.60  144.790  2479.31  168.642  3130.94  282.405  1118.93   38.622  1245.92   58.083 -126.9861 69.75172 
1 1 1   -4    9   16 o  842.399   27.999  1396.74   86.511  1377.82  105.373  1435.86  151.528  835.912   32.303  848.886   45.742 -12.97345 55.99778 
1 1 1   -4    9   17 o  377.313   48.524  344.030   38.275  354.559   40.148  239.011  126.795  424.954   24.209  329.672   93.980 95.28278 97.04802 
1 1 1   -4    9   18 o  417.285   27.157  367.589   37.316  390.279   43.369  302.900   73.229  445.668   24.937  388.903   48.251 56.76437 54.31403 
1 1 1   -4    9   19 o  332.144   32.042  221.180   39.349  222.597   48.583  218.479   67.089  335.000   37.163  329.288   52.209 5.711517 64.08464 
1 1 1   -4    9   20 o  212.449   36.346   95.735   21.732   97.753   23.166   80.927   62.750  222.838   26.640  202.060   67.636 20.77800 72.69277 
1 1 1   -4    9   21 o  637.024   28.502  778.398   60.743  750.914   69.305  869.479  126.164  616.978   28.785  657.070   49.203 -40.09222 57.00443 
1 1 1   -4    9   22 o  696.371   28.897  867.150   65.154  795.288   72.642  1162.82  147.348  634.433   29.341  758.309   49.793 -123.8767 57.79436 
1 1 1   -4    9   23 o  321.631   39.609  203.953   30.112  200.598   31.826  232.618   93.014  318.854   25.577  324.409   74.976 -5.554413 79.21832 
1 1 1   -4    9   24 o  560.063   32.712  589.940   53.845  565.568   58.712  718.910  135.060  533.996   28.175  586.130   59.047 -52.13428 65.42480 
1 1 1   -4    9   25 o  275.680   46.369  169.420   36.166  171.117   38.669  157.568  102.193  291.924   33.944  259.436   86.302 32.48865 92.73733 
1 1 1   -4    9   26 o  624.960   63.496  856.212  154.858   0.0000   0.0000  856.212  154.858  ?   ?   624.960   63.496      ?      ? 
1 1 1   -4    9   27 o  182.627   49.793   49.575   20.885   49.235   21.104   65.692  145.273  152.448   36.042  212.805   92.834 -60.35683 99.58523 
1 1 1   -4    9   28 o  685.980   35.057  925.208   72.143  879.649   79.162  1148.49  175.250  659.100   30.777  712.860   62.997 -53.76074 70.11342 
1 1 1   -4    9   29 o  575.745   65.060  763.159  146.177   0.0000   0.0000  763.159  146.177  ?   ?   575.745   65.060      ?      ? 
1 1 1   -4    9   30 o  301.158   59.239  248.494   40.140  249.419   40.680  214.323  247.212  350.231   29.764  252.085  114.678 98.14568 118.4772 
1 1 1   -4    9   31 o  140.439   42.849   26.699   23.134   27.944   23.658  -0.4662  110.513  118.194   41.467  162.684   74.998 -44.48992 85.69875 
1 1 1   -4    9   32 o   97.130   33.654 -68.5931   38.492 -42.5232   43.435 -163.9906   83.087   91.695   43.725  102.565   51.173 -10.87001 67.30892 
1 1 1   -4    9   33 o  174.183   33.979   87.168   30.380  112.855   32.461 -94.1089   86.233  230.319   36.116  118.047   57.567 112.2720 67.95847 
1 1 1   -4    9   34 o  173.427   41.902   75.684   29.553   80.650   31.103   29.568   94.781  188.011   43.288  158.843   71.759 29.16814 83.80470 
1 1 1   -4    9   35 f  222.653   49.777   98.164   33.085   83.779   34.860  228.714  105.019  188.007   47.498  257.298   87.492 -69.29115 99.55315 
1 1 1   -4   10    1 o  354.330   63.199  290.348   87.378  283.817  123.169  296.965  123.978  350.046   89.744  358.613   89.008 -8.566406 126.3976 
1 1 1   -4   10    2 o  446.610   71.702  474.408  122.198  514.683  175.550  436.549  170.202  467.185   99.347  426.035  103.416 41.14902 143.4039 
1 1 1   -4   10    3 o  212.654   47.679   95.755   44.415   98.296   62.904   93.229   62.722  214.952   67.398  210.356   67.459 4.595764 95.35814 
1 1 1   -4   10    4 o  483.435   75.862  564.196  139.396  580.630  198.315  548.148  195.978  491.306  106.507  475.564  108.056 15.74228 151.7232 
1 1 1   -4   10    5 o  553.013   83.385  756.675  174.460  762.453  247.171  750.939  246.278  555.415  117.695  550.611  118.154 4.803833 166.7705 
1 1 1   -4   10    6 o  294.098   56.958  193.209   67.318  200.944   95.637  185.614   94.774  299.891   80.174  288.306   80.926 11.58545 113.9164 
1 1 1   -4   10    7 o  165.173   40.407   51.635   31.733   55.082   45.111   48.258   44.648  168.727   57.343  161.619   56.946 7.107971 80.81445 
1 1 1   -4   10    8 o  547.496   79.816  703.702  164.862  731.135  235.279  677.240  231.077  559.209  111.723  535.783  114.020 23.42578 159.6328 
1 1 1   -4   10    9 f  377.582   63.716  317.543   92.658  341.301  132.621  294.885  129.512  392.203   88.725  362.961   91.470 29.24161 127.4320 
1 1 1   -4   10   10 o  700.559   39.729  975.727  108.612  975.727  108.612   0.0000   0.0000  700.559   39.729  ?   ?       ?      ? 
1 1 1   -4   10   11 o  513.172   34.990  520.894   70.072  520.894   70.072   0.0000   0.0000  513.172   34.990  ?   ?       ?      ? 
1 1 1   -4   10   12 o  513.036   54.022  551.765   69.099  551.877   74.103  551.021  191.282  528.227   35.949  497.845  101.889 30.38211 108.0449 
1 1 1   -4   10   13 o  700.570   66.362  1120.83  113.419  1148.71  122.239  948.287  304.095  760.776   41.174  640.364  126.176 120.4116 132.7244 
1 1 1   -4   10   14 o  715.994   61.906  993.837  104.226  973.060  109.693  1186.84  334.324  700.577   40.123  731.412  117.132 -30.83490 123.8129 
1 1 1   -4   10   15 o  674.408   66.115  1060.00   83.553  1076.70   87.080  866.281  296.558  739.441   30.178  609.375  128.741 130.0662 132.2308 
1 1 1   -4   10   16 o  422.721   25.088  350.990   41.386  350.990   41.386   0.0000   0.0000  422.721   25.088  ?   ?       ?      ? 
1 1 1   -4   10   17 o  351.112   29.462  248.496   38.906  258.601   49.494  232.152   62.942  361.559   35.079  340.665   47.346 20.89395 58.92486 
1 1 1   -4   10   18 f  324.533   36.703  224.254   42.009  244.083   52.231  187.926   70.697  350.667   38.168  298.399   62.704 52.26816 73.40673 
1 1 1   -4   10   19 o  208.111   67.945   87.478   63.452   0.0000   0.0000   87.478   63.452  ?   ?   208.111   67.945      ?      ? 
1 1 1   -4   10   20 o  755.084   30.357  1134.36   78.879  1128.96   91.982  1149.39  153.337  755.881   31.183  754.286   52.093 1.595276 60.71304 
1 1 1   -4   10   21 o  758.232   77.090  1401.81  105.001  1419.80  109.158  1179.01  384.157  846.496   33.044  669.968  150.597 176.5284 154.1801 
1 1 1   -4   10   22 o  247.234   41.470  136.660   26.994  140.078   28.503  106.916   84.072  266.321   27.425  228.147   78.275 38.17357 82.94077 
1 1 1   -4   10   23 o  165.135   45.006   30.036   15.757   29.026   15.946   71.763  102.532  118.950   33.127  211.320   83.694 -92.37024 90.01169 
1 1 1   -4   10   24 o  430.263   47.144  456.676   59.869  505.101   68.813  305.870  121.436  501.566   35.157  358.961   87.487 142.6050 94.28702 
1 1 1   -4   10   25 o  346.393   48.307  349.981   42.578  377.944   45.578  158.267  119.341  435.692   26.807  257.094   92.821 178.5979 96.61445 
1 1 1   -4   10   26 o  292.630   53.826  203.701   34.701  204.600   35.595  186.492  155.747  319.443   28.554  265.817  103.797 53.62567 107.6528 
1 1 1   -4   10   27 o  152.141   45.778   23.122   18.886   22.024   19.160   60.706  112.108  107.687   37.343  196.596   83.594 -88.90867 91.55558 
1 1 1   -4   10   28 o  384.019   50.787  403.519   47.274  422.307   50.652  276.597  131.651  457.717   28.357  310.322   97.535 147.3951 101.5742 
1 1 1   -4   10   29 o  242.598   59.807   87.843   27.070   83.689   27.348  289.029  190.313  198.581   36.640  286.614  113.863 -88.03323 119.6135 
1 1 1   -4   10   30 o  245.254   45.556  164.048   33.022  170.232   34.393   91.117  118.113  288.535   30.545  201.973   85.840 86.56284 91.11236 
1 1 1   -4   10   31 o  242.135   44.750  168.372   55.824  244.028   67.795   9.0503   98.381  326.565   53.198  157.704   71.974 168.8607 89.50078 
1 1 1   -4   10   32 o  215.003   37.757  135.954   31.451  155.069   34.443   40.034   77.155  272.399   32.401  157.607   68.210 114.7912 75.51416 
1 1 1   -4   10   33 o  190.890   38.857   97.854   29.448  107.056   31.693   39.721   79.657  224.160   36.230  157.620   68.752 66.53983 77.71426 
1 1 1   -4   10   34 o  179.933   36.040   94.505   31.795  116.092   33.837 -68.3291   92.931  232.235   37.336  127.631   61.657 104.6041 72.07999 
1 1 1   -4   11    1 o  509.141   65.124  595.562  118.314  624.385  146.534  541.580  200.537  544.512   68.960  473.769  110.496 70.74286 130.2490 
1 1 1   -4   11    2 o  282.217   55.456  176.572   63.393  191.134   90.332  162.441   88.985  293.415   77.673  271.020   79.175 22.39417 110.9128 
1 1 1   -4   11    3 o  362.127   63.395  298.632   89.119  302.849  126.285  294.448  125.785  364.840   89.399  359.414   89.907 5.426300 126.7890 
1 1 1   -4   11    4 o  207.142   46.744   88.834   42.630   85.979   60.170   91.710   60.406  204.487   66.125  209.798   66.088 -5.311279 93.48895 
1 1 1   -4   11    5 o  409.683   66.755  380.770  104.625  412.710  150.011  350.518  145.995  427.839   92.540  391.528   96.234 36.31152 133.5092 
1 1 1   -4   11    6 o  154.373   38.577   43.133   29.001   42.041   40.973   44.230   41.053  153.229   54.491  155.517   54.621 -2.288177 77.15421 
1 1 1   -4   11    7 o  544.909  111.476  686.808  229.058  686.808  229.058   0.0000   0.0000  544.909  111.476  ?   ?       ?      ? 
1 1 1   -4   11    8 o  696.604  133.915  1169.47  350.815  1169.47  350.815   0.0000   0.0000  696.604  133.915  ?   ?       ?      ? 
1 1 1   -4   11    9 o  497.205   73.215  555.044  137.437  599.904  197.670  513.063  191.221  518.450  101.334  475.959  105.703 42.49094 146.4300 
1 1 1   -4   11   10 o  800.696   75.049  1391.76  134.376  1388.21  142.076  1421.84  413.806  834.917   43.606  766.476  143.623 68.44153 150.0970 
1 1 1   -4   11   11 o  571.503   59.283  730.694   84.070  746.438   90.646  633.850  224.816  613.988   37.832  529.018  112.368 84.97040 118.5658 
1 1 1   -4   11   12 o  678.818   65.536  1006.49  105.456  1014.34  112.572  950.185  301.392  715.182   40.335  642.455  124.712 72.72620 131.0722 
1 1 1   -4   11   13 o  219.123   40.950   96.865   31.126   95.643   35.142  101.310   67.045  215.721   43.251  222.525   69.549 -6.804016 81.90052 
1 1 1   -4   11   14 o  473.944   50.837  451.478   62.315  445.424   67.015  490.151  169.384  474.637   36.181  473.251   95.018 1.385956 101.6732 
1 1 1   -4   11   15 o  302.816   41.860  224.303   39.763  253.609   45.367  127.180   82.588  358.522   32.426  247.110   77.185 111.4118 83.71925 
1 1 1   -4   11   16 o  834.183   47.081  1391.65  153.264  1391.65  153.264   0.0000   0.0000  834.183   47.081  ?   ?       ?      ? 
1 1 1   -4   11   17 o  454.445   46.744  376.556   43.236  367.104   44.892  497.640  160.669  431.943   26.632  476.947   89.614 -45.00345 93.48787 
1 1 1   -4   11   18 o  712.690   53.442  795.310   70.113  764.066   71.839  1422.43  321.843  622.407   29.577  802.973  102.710 -180.5661 106.8832 
1 1 1   -4   11   19 o  398.579   98.644  360.870  152.603   0.0000   0.0000  360.870  152.603  ?   ?   398.579   98.644      ?      ? 
1 1 1   -4   11   20 o  447.839  105.564  465.942  181.476   0.0000   0.0000  465.942  181.476  ?   ?   447.839  105.564      ?      ? 
1 1 1   -4   11   21 o  601.080   30.905  602.188   54.230  548.196   58.498  932.192  144.623  526.717   28.460  675.442   54.868 -148.7257 61.80952 
1 1 1   -4   11   22 o  811.447   34.908  1256.36   88.280  1201.83   97.892  1493.82  204.282  777.372   32.269  845.523   61.912 -68.15070 69.81669 
1 1 1   -4   11   23 o  319.559   33.642  204.265   41.953  204.265   41.953   0.0000   0.0000  319.559   33.642  ?   ?       ?      ? 
1 1 1   -4   11   24 o  260.250   43.067  201.836   32.238  217.791   33.659   24.728  112.145  331.104   26.050  189.397   82.101 141.7075 86.13430 
1 1 1   -4   11   25 o  675.286   41.000  918.272   73.997  893.268   79.459  1081.60  203.082  666.733   30.539  683.838   76.100 -17.10413 81.99943 
1 1 1   -4   11   26 o  190.206   43.473   76.706   23.522   79.243   24.016   16.914  116.587  198.028   31.077  182.384   81.203 15.64366 86.94642 
1 1 1   -4   11   27 o  423.971   85.664  460.160  136.854   0.0000   0.0000  460.160  136.854  ?   ?   423.971   85.664      ?      ? 
1 1 1   -4   11   28 o  341.207   60.338  334.225   45.463  337.469   46.445  259.993  222.195  408.499   29.135  273.914  117.106 134.5848 120.6760 
1 1 1   -4   11   29 o  140.829   37.948   37.973   21.391   42.125   22.174 -17.7725   81.243  139.650   39.124  142.007   65.035 -2.356812 75.89672 
1 1 1   -4   11   30 o  141.094   44.012   10.834   47.708   34.965   56.993 -45.6614   87.205  147.704   60.970  134.485   63.489 13.21931 88.02391 
1 1 1   -4   11   31 o  170.832   46.027   62.358   49.112  112.370   62.280 -19.8808   79.863  206.548   67.309  135.116   62.798 71.43263 92.05453 
1 1 1   -4   11   32 o  213.591   44.065   96.961   28.653   89.681   30.463  152.827   84.390  200.734   40.289  226.448   78.381 -25.71387 88.12968 
1 1 1   -4   11   33 f  292.720   43.742  273.659   41.509  304.225   45.605  126.050  100.218  382.285   30.570  203.156   81.968 179.1290 87.48302 
1 1 1   -4   11   34 o  182.123   43.092   84.059   29.247   86.458   30.514   56.968  102.543  195.269   41.332  168.977   75.626 26.29137 86.18385 
1 1 1   -4   12    1 o  410.334   61.110  345.050   97.855  345.050   97.855   0.0000   0.0000  410.334   61.110  ?   ?       ?      ? 
1 1 1   -4   12    2 o  734.007   85.150  1152.91  243.903  1152.91  243.903   0.0000   0.0000  734.007   85.150  ?   ?       ?      ? 
1 1 1   -4   12    3 o  778.701  152.620  1558.57  447.199  1558.57  447.199   0.0000   0.0000  778.701  152.620  ?   ?       ?      ? 
1 1 1   -4   12    4 o  231.015   70.228  112.096   68.927  112.096   68.927   0.0000   0.0000  231.015   70.228  ?   ?       ?      ? 
1 1 1   -4   12    5 o  913.849  184.163  2316.10  634.070  2316.10  634.070   0.0000   0.0000  913.849  184.163  ?   ?       ?      ? 
1 1 1   -4   12    6 o  271.115   54.029  157.801   59.631  163.726   84.619  151.955   84.045  275.878   76.118  266.352   76.698 9.525970 108.0583 
1 1 1   -4   12    7 o  250.065   51.643  132.232   53.634  121.701   75.440  142.995   76.266  241.015   73.517  259.115   72.547 -18.09984 103.2852 
1 1 1   -4   12    8 o  219.253   48.002   98.543   45.513   85.150   64.041  112.211   64.694  207.025   68.293  231.482   67.476 -24.45692 96.00462 
1 1 1   -4   12    9 o  564.268   78.525  715.888  166.676  777.769  240.572  658.763  231.141  589.927  108.498  538.610  113.547 51.31665 157.0498 
1 1 1   -4   12   10 o  244.595   51.368  124.601   52.707  140.132   76.428  110.515   72.784  257.409   72.820  231.781   72.469 25.62889 102.7351 
1 1 1   -4   12   11 o  738.980   70.136  1245.20  125.430  1271.59  134.914  1077.08  340.556  799.851   43.223  678.109  133.446 121.7420 140.2713 
1 1 1   -4   12   12 o  463.151   51.866  510.395   66.751  549.466   74.541  352.237  149.974  527.199   36.232  399.104   97.198 128.0951 103.7311 
1 1 1   -4   12   13 o  411.225   46.919  347.433   54.046  346.111   59.205  354.041  132.369  418.345   36.266  404.106   86.547 14.23932 93.83759 
1 1 1   -4   12   14 o  692.996   61.822  933.139  108.534  907.914  115.337  1128.23  320.757  675.185   43.774  710.807  115.636 -35.62140 123.6439 
1 1 1   -4   12   15 o  586.170   61.498  780.323   96.451  803.888  105.813  664.554  234.531  635.327   42.679  537.013  115.354 98.31354 122.9962 
1 1 1   -4   12   16 o  237.724   51.211  117.786   46.105  117.786   46.105   0.0000   0.0000  237.724   51.211  ?   ?       ?      ? 
1 1 1   -4   12   17 o  1155.95   58.971  2719.78  266.020  2719.78  266.020   0.0000   0.0000  1155.95   58.971  ?   ?       ?      ? 
1 1 1   -4   12   18 o  873.777   79.913  1643.37  120.681  1631.87  124.477  1823.36  492.413  907.302   35.157  840.253  155.912 67.04810 159.8264 
1 1 1   -4   12   19 o  349.710   94.218  277.323  131.473   0.0000   0.0000  277.323  131.473  ?   ?   349.710   94.218      ?      ? 
1 1 1   -4   12   20 o  347.656   49.627  235.046   42.697  228.448   45.161  290.608  131.049  339.133   34.124  356.179   93.204 -17.04565 99.25491 
1 1 1   -4   12   21 o  335.236   53.323  293.242   48.219  309.741   51.216  164.487  143.072  394.509   33.267  275.963  101.324 118.5460 106.6458 
1 1 1   -4   12   22 o  600.071  144.690  1039.29  334.876   0.0000   0.0000  1039.29  334.876  ?   ?   600.071  144.690      ?      ? 
1 1 1   -4   12   23 o  221.986   46.639  103.490   25.321  105.003   25.895   70.502  120.903  229.529   28.910  214.444   88.684 15.08447 93.27728 
1 1 1   -4   12   24 o  224.442   29.631  100.939   25.953  100.939   25.953   0.0000   0.0000  224.442   29.631  ?   ?       ?      ? 
1 1 1   -4   12   25 o  198.647   45.849   76.221   23.076   76.793   23.511   61.190  120.529  195.095   30.881  202.199   86.343 -7.104630 91.69881 
1 1 1   -4   12   26 o  294.073   50.574  217.765   34.895  220.405   36.151  181.756  133.531  331.013   27.986  257.133   97.199 73.88007 101.1476 
1 1 1   -4   12   27 o  150.463   48.015   24.802   17.102   25.432   17.187 -38.2104  171.870  111.543   35.265  189.383   89.322 -77.83971 96.03090 
1 1 1   -4   12   28 o  197.581   40.919   84.736   24.649   85.275   25.840   79.290   82.132  204.182   32.430  190.980   75.138 13.20204 81.83816 
1 1 1   -4   12   29 f  149.358   42.550   29.072   20.908   26.422   21.552   71.446   86.189  114.958   39.621  183.758   75.314 -68.79973 85.09969 
1 1 1   -4   12   30 o  281.377   46.574  217.546   63.163  358.538   85.626   49.252   93.550  392.114   55.958  170.641   74.467 221.4737 93.14856 
1 1 1   -4   12   31 o  421.595   68.019  456.186  111.906   0.0000   0.0000  456.186  111.906  ?   ?   421.595   68.019      ?      ? 
1 1 1   -4   12   32 o  264.160   45.442  164.424   33.022  159.476   35.038  203.743   98.770  275.810   32.553  252.510   84.854 23.29988 90.88416 
1 1 1   -4   12   33 o  208.136   48.801   76.345   27.862   66.524   28.889  207.147  105.425  170.033   43.393  246.238   87.425 -76.20587 97.60142 
1 1 1   -4   13    1 o  386.125   53.393  309.051   74.670  296.457   91.204  334.652  130.039  381.609   61.244  390.640   87.479 -9.031738 106.7869 
1 1 1   -4   13    2 o  237.795   45.840  117.698   42.339  114.186   52.547  124.197   71.486  233.021   58.011  242.568   70.993 -9.547394 91.68016 
1 1 1   -4   13    3 o  559.709   78.258  709.372  164.765  787.836  238.895  638.186  227.546  592.169  107.330  527.248  113.918 64.92096 156.5157 
1 1 1   -4   13    4 o  992.711  141.470  2782.92  529.025  2887.98  757.871  2683.08  738.802  1013.79  198.669  971.632  201.459 42.15784 282.9401 
1 1 1   -4   13    5 o  771.792   97.610  1404.18  287.075  1570.75  420.190  1258.38  393.129  824.674  130.566  718.909  145.131 105.7656 195.2191 
1 1 1   -4   13    6 o  613.503   80.148  838.972  187.459  950.925  273.960  740.406  257.061  659.941  106.378  567.064  119.912 92.87665 160.2968 
1 1 1   -4   13    7 o  1099.81  164.676  3678.96  684.732  3757.99  975.882  3602.31  961.005  1113.34  232.134  1086.29  233.637 27.05432 329.3514 
1 1 1   -4   13    8 o  679.554   90.112  1067.12  230.159  1099.77  328.427  1035.61  322.639  690.754  126.500  668.353  128.368 22.40118 180.2240 
1 1 1   -4   13    9 o  473.978   71.386  496.992  128.012  472.212  179.839  522.444  182.260  460.842  102.633  487.115   99.249 -26.27316 142.7723 
1 1 1   -4   13   10 o  706.166   93.133  1161.34  247.194  1137.07  347.943  1186.08  351.251  697.761  132.630  714.571  130.782 -16.81042 186.2651 
1 1 1   -4   13   11 o  513.953  105.545  589.147  204.601   0.0000   0.0000  589.147  204.601  ?   ?   513.953  105.545      ?      ? 
1 1 1   -4   13   12 o  981.504   92.082  2225.89  211.530  2235.60  225.982  2157.20  601.140  1053.74   54.956  909.273  175.773 144.4630 184.1641 
1 1 1   -4   13   13 o  710.888   65.791  1112.84  117.558  1124.05  126.832  1044.46  313.184  751.265   43.262  670.511  124.267 80.75378 131.5822 
1 1 1   -4   13   14 o  951.337   85.817  2090.02  192.242  2103.87  205.640  1993.97  541.460  1022.80   51.521  879.870  163.720 142.9343 171.6348 
1 1 1   -4   13   15 o  371.219   50.232  313.226   59.065  333.669   67.515  246.548  121.932  409.144   42.286  333.293   91.131 75.85080 100.4634 
1 1 1   -4   13   16 o  646.287   43.810  834.552  110.491  834.552  110.491   0.0000   0.0000  646.287   43.810  ?   ?       ?      ? 
1 1 1   -4   13   17 o  451.469   55.077  449.291   73.247  458.922   81.756  410.114  164.894  479.049   43.733  423.890  101.101 55.15909 110.1544 
1 1 1   -4   13   18 o  667.826   43.944  893.660  114.525  893.660  114.525   0.0000   0.0000  667.826   43.944  ?   ?       ?      ? 
1 1 1   -4   13   19 o  543.928   61.695  709.581   66.576  722.566   69.701  574.463  224.847  604.461   29.549  483.395  119.800 121.0666 123.3903 
1 1 1   -4   13   20 o  310.295   49.130  176.509   36.478  169.293   38.184  251.897  123.421  291.623   33.553  328.966   92.354 -37.34341 98.26066 
1 1 1   -4   13   21 o  241.367   46.895  126.027   27.713  127.807   28.555   97.178  114.953  253.706   28.842  229.030   89.245 24.67593 93.78968 
1 1 1   -4   13   22 o  465.099   27.884  430.345   50.610  430.345   50.610   0.0000   0.0000  465.099   27.884  ?   ?       ?      ? 
1 1 1   -4   13   23 o  559.608   29.557  627.014   64.547  627.014   64.547   0.0000   0.0000  559.608   29.557  ?   ?       ?      ? 
1 1 1   -4   13   24 o  244.577   52.821  124.813   29.707  124.706   30.233  127.798  160.036  248.642   31.158  240.512  100.943 8.129517 105.6425 
1 1 1   -4   13   25 o  313.522  121.500  342.965  212.167   0.0000   0.0000  342.965  212.167  ?   ?   313.522  121.500      ?      ? 
1 1 1   -4   13   26 o  315.641   59.315  253.837   38.473  253.904   39.160  251.997  206.414  354.931   28.272  276.352  115.211 78.57901 118.6291 
1 1 1   -4   13   27 o  258.704   60.348  119.254   29.798  115.942   30.103  280.379  209.974  238.263   32.376  279.144  116.273 -40.88101 120.6961 
1 1 1   -4   13   28 o  247.124   63.390  169.178   67.218  171.363   70.477  147.167  223.652  262.237   68.220  232.011  106.861 30.22517 126.7802 
1 1 1   -4   13   29 o  180.779   59.426   29.209   59.809   17.275   62.566  155.735  203.718  140.152   61.038  221.406  101.981 -81.25443 118.8515 
1 1 1   -4   13   30 o  324.821   56.456  343.525   47.326  346.542   48.482  282.503  218.015  409.047   30.372  240.594  108.749 168.4523 112.9110 
1 1 1   -4   13   31 o  337.820   60.113  440.953   91.546  480.675  100.595  249.511  220.844  447.340   57.625  228.299  105.517 219.0410 120.2270 
1 1 1   -4   13   32 o  157.308   45.025   40.629   22.493   38.913   22.967   80.927  111.305  132.183   40.607  182.433   80.373 -50.25043 90.04921 
1 1 1   -4   13   33 o  213.145   38.468  152.227   39.686  180.703   41.829 -104.6147  125.624  289.148   37.070  137.141   67.416 152.0071 76.93601 
1 1 1   -4   14    1 o  566.418   60.421  648.589  125.607  603.059  151.587  748.337  224.371  541.746   71.703  591.091   97.270 -49.34485 120.8420 
1 1 1   -4   14    2 o  916.518   97.954  1994.00  317.730  2070.66  394.836  1853.16  535.202  977.822  103.473  855.214  166.354 122.6083 195.9087 
1 1 1   -4   14    3 o  760.456   76.211  1232.09  212.018  1176.28  256.888  1351.35  375.489  747.456   88.070  773.455  124.403 -25.99805 152.4217 
1 1 1   -4   14    4 o  596.177   81.686  804.064  183.155  770.180  256.475  839.328  261.642  582.038  116.976  610.316  114.049 -28.27771 163.3722 
1 1 1   -4   14    5 o  569.811   78.837  727.859  168.939  666.739  234.348  793.988  243.760  542.490  114.304  597.133  108.608 -54.64288 157.6740 
1 1 1   -4   14    6 o  366.383   60.908  289.740   86.224  231.020  118.782  355.146  125.363  325.647   90.313  407.119   81.747 -81.47113 121.8154 
1 1 1   -4   14    7 o  230.446   45.148  103.935   46.388   37.283   63.958  177.911   67.381  169.370   66.410  291.522   61.179 -122.1519 90.29519 
1 1 1   -4   14    8 o  411.983   93.940  372.600  147.678   0.0000   0.0000  372.600  147.678  ?   ?   411.983   93.940      ?      ? 
1 1 1   -4   14    9 o  530.732  107.519  630.273  215.054   0.0000   0.0000  630.273  215.054  ?   ?   530.732  107.519      ?      ? 
1 1 1   -4   14   10 o  583.090   81.327  772.691  178.471  744.146  251.049  801.855  253.764  570.773  116.649  595.406  113.356 -24.63281 162.6549 
1 1 1   -4   14   11 o  656.134   88.882  1002.47  219.205  934.355  305.329  1074.93  314.896  630.221  128.506  682.047  122.827 -51.82611 177.7647 
1 1 1   -4   14   12 o  855.585  116.414  1885.81  374.499  1953.96  536.853  1821.22  522.674  872.111  163.757  839.059  165.507 33.05157 232.8283 
1 1 1   -4   14   13 o  358.865   50.971  265.553   60.898  259.894   69.968  283.233  123.680  359.708   49.844  358.022   88.925 1.686371 101.9414 
1 1 1   -4   14   14 o  1107.67  113.936  3083.50  267.426  3090.42  282.757  3024.84  823.329  1232.66   58.781  982.679  220.160 249.9786 227.8721 
1 1 1   -4   14   15 o  172.923   46.509   45.963   43.431   39.482   60.247   52.975   62.665  166.896   64.726  178.950   66.804 -12.05385 93.01775 
1 1 1   -4   14   16 o  194.600   39.794   56.093   38.437  150.619   59.303 -12.3812   50.474  267.079   58.517  122.120   53.946 144.9587 79.58894 
1 1 1   -4   14   17 o  766.039   70.911  1372.58  145.708  1409.28  160.415  1199.52  348.349  835.598   49.194  696.480  133.017 139.1180 141.8226 
1 1 1   -4   14   18 o  158.393   51.203 -11.6514   48.662 -41.8671  137.465  -7.3225   52.031  190.299   86.154  126.487   55.358 63.81134 102.4059 
1 1 1   -4   14   19 o  932.539   97.208  2012.03  190.494  1961.14  199.927  2513.51  627.549  978.360   52.365  886.717  187.230 91.64313 194.4151 
1 1 1   -4   14   20 o  723.985   77.441  1227.66   98.596  1222.32  102.017  1303.25  383.972  782.204   33.421  665.766  151.233 116.4381 154.8820 
1 1 1   -4   14   21 o  325.515   28.914  211.105   36.730  211.105   36.730   0.0000   0.0000  325.515   28.914  ?   ?       ?      ? 
1 1 1   -4   14   22 o  226.013   43.063  141.919   29.902  152.152   30.723 -41.9498  130.237  275.931   28.532  176.095   81.263 99.83548 86.12657 
1 1 1   -4   14   23 o  203.613   51.669   46.181   18.591   43.474   18.775  182.341  133.168  143.692   34.010  263.534   97.580 -119.8425 103.3375 
1 1 1   -4   14   24 o  181.789   49.286   49.412   19.522   49.098   19.699   66.645  145.940  152.514   33.969  211.063   92.534 -58.54922 98.57224 
1 1 1   -4   14   25 o  502.736   73.961  733.566   69.132  735.288   71.183  704.970  290.038  602.684   30.266  402.787  144.794 199.8971 147.9230 
1 1 1   -4   14   26 o  591.942   86.239  1112.38   91.925  1107.72   94.383  1198.23  405.401  736.279   32.849  447.604  169.322 288.6751 172.4786 
1 1 1   -4   14   27 f  367.106   64.104  474.811   91.568  506.527   97.730  246.850  262.013  478.367   52.352  255.846  117.032 222.5216 128.2074 
1 1 1   -4   14   28 o  357.503   70.424  422.426   88.889  412.321   93.526  516.834  285.870  422.228   56.761  292.777  128.905 129.4514 140.8489 
1 1 1   -4   14   29 o  301.217  139.015  900.888  381.249   0.0000   0.0000  900.888  381.249  ?   ?   301.217  139.015      ?      ? 
1 1 1   -4   14   30 o  180.584   51.941   61.682   25.477   61.934   25.604   36.510  256.091  166.284   39.955  194.885   95.890 -28.60095 103.8814 
1 1 1   -4   14   31 o  150.007   53.581   8.7231   17.936   7.4424   17.997  197.443  218.464   84.122   34.439  215.891  101.477 -131.7694 107.1620 
1 1 1   -4   14   32 o  228.942   46.293  162.481   39.038  169.777   40.076   27.052  172.662  281.065   36.538  176.820   85.071 104.2453 92.58588 
1 1 1   -4   15    1 o  563.596   79.043  711.054  167.532  780.009  244.722  650.235  229.830  590.871  110.186  536.321  113.359 54.54974 158.0860 
1 1 1   -4   15    2 f  705.624   90.631  1136.56  243.205  980.183  333.962  1313.15  354.879  642.881  137.291  768.367  118.353 -125.4863 181.2626 
1 1 1   -4   15    3 o  688.442  128.723  1097.21  333.111   0.0000   0.0000  1097.21  333.111  ?   ?   688.442  128.723      ?      ? 
1 1 1   -4   15    4 o  306.787   81.695  202.827   99.549   0.0000   0.0000  202.827   99.549  ?   ?   306.787   81.695      ?      ? 
1 1 1   -4   15    5 o  653.196  123.669  979.839  303.693   0.0000   0.0000  979.839  303.693  ?   ?   653.196  123.669      ?      ? 
1 1 1   -4   15    6 o  608.568   82.846  840.553  189.525  900.067  272.947  785.143  263.368  631.366  115.019  585.771  119.267 45.59503 165.6922 
1 1 1   -4   15    7 o  269.579   54.382  154.528   60.036  163.622   86.372  146.028   83.507  276.701   77.110  262.456   76.706 14.24515 108.7650 
1 1 1   -4   15    8 o  450.128   69.943  450.228  119.502  453.461  169.976  447.067  168.042  451.637   99.159  448.619   98.669 3.018616 139.8859 
1 1 1   -4   15    9 o  480.262   72.652  516.722  132.099  476.927  184.948  558.167  188.743  459.368  105.407  501.155  100.013 -41.78613 145.3039 
1 1 1   -4   15   10 o  344.382   61.487  258.315   82.713  297.223  122.111  225.329  112.434  368.278   86.448  320.485   87.460 47.79364 122.9737 
1 1 1   -4   15   11 o  508.244   76.029  586.212  145.991  631.711  212.407  545.473  200.990  527.851  106.784  488.637  108.254 39.21426 152.0578 
1 1 1   -4   15   12 o  215.484   52.976   83.761   52.653  117.119   89.378   66.031   65.161  239.991   80.719  190.976   68.632 49.01500 105.9524 
1 1 1   -4   15   13 o  524.013   80.251  636.202  159.072  672.687  233.752  604.732  217.093  537.270  114.963  510.755  112.003 26.51529 160.5028 
1 1 1   -4   15   14 o  682.329   69.659  1051.67  127.184  1065.06  139.167  983.855  313.297  727.589   49.014  637.070  130.411 90.51917 139.3174 
1 1 1   -4   15   15 o  225.210   73.124  104.842   73.530  104.842   73.530   0.0000   0.0000  225.210   73.124  ?   ?       ?      ? 
1 1 1   -4   15   16 o  185.294   52.613   45.647   55.522   3.3194  106.796   61.324   64.996  184.506   80.050  186.082   68.298 -1.576645 105.2263 
1 1 1   -4   15   17 o  135.904   44.524 -26.9214   45.396 -105.9591  110.283 -10.7971   49.812  150.240   71.071  121.569   53.652 28.67085 89.04832 
1 1 1   -4   15   18 o  616.602   51.096  778.552  122.949  778.552  122.949   0.0000   0.0000  616.602   51.096  ?   ?       ?      ? 
1 1 1   -4   15   19 o  649.683   48.870  866.925  123.900  866.925  123.900   0.0000   0.0000  649.683   48.870  ?   ?       ?      ? 
1 1 1   -4   15   20 o  165.139   49.549   21.122   53.988   19.160   68.137   24.433   88.497  155.844   65.660  174.434   74.223 -18.58934 99.09760 
1 1 1   -4   15   21 o  105.917   37.665  -1.5204   7.4730  -1.5406   7.4984   1.4464   90.816   48.152   21.046  163.683   72.331 -115.5314 75.33072 
1 1 1   -4   15   22 o  140.866   42.000   26.710   14.946   27.917   15.054 -56.4103  124.928  115.781   32.167  165.951   77.597 -50.17004 84.00005 
1 1 1   -4   15   23 o  241.029   51.848  109.600   25.732  107.756   26.145  166.689  145.469  231.308   28.964  250.750   99.570 -19.44254 103.6969 
1 1 1   -4   15   24 o  156.509   50.343   16.390   14.437   15.630   14.504   97.747  150.012   92.334   32.464  220.683   95.309 -128.3492 100.6864 
1 1 1   -4   15   25 o  511.959   77.265  745.042   70.668  739.719   72.488  847.082  317.382  603.429   30.783  420.488  151.433 182.9408 154.5296 
1 1 1   -4   15   26 o  293.450   66.417  265.413   80.654  271.023   85.713  222.061  238.275  333.975   68.075  252.925  114.064 81.05051 132.8340 
1 1 1   -4   15   27 f  277.232  124.370  424.632  279.078   0.0000   0.0000  424.632  279.078  ?   ?   277.232  124.370      ?      ? 
1 1 1   -4   15   28 o  164.189   53.269   29.985   19.605   29.140   19.688  129.672  213.746  117.212   37.817  211.166   99.600 -93.95428 106.5377 
1 1 1   -4   15   29 o  224.060   54.844  109.817   29.273  108.176   29.497  216.200  237.464  226.979   33.302  221.141  104.511 5.837463 109.6887 
1 1 1   -4   15   30 f  191.709   48.560   91.102   30.703   94.094   30.948 -95.8249  244.622  205.757   39.983  177.662   88.507 28.09549 97.11963 
1 1 1   -4   15   31 o  247.846  111.188  366.336  223.057   0.0000   0.0000  366.336  223.057  ?   ?   247.846  111.188      ?      ? 
1 1 1   -4   16    1 o  205.264   43.510   86.729   36.936   89.183   46.562   82.563   60.662  206.936   56.204  203.593   66.433 3.342651 87.01905 
1 1 1   -4   16    2 o  140.962   36.521   32.291   25.591   31.206   32.202   34.152   42.159  134.769   48.268  147.156   54.822 -12.38655 73.04249 
1 1 1   -4   16    3 o  491.861   52.080  425.821   89.793  313.733  104.540  741.155  175.344  385.084   72.219  598.638   75.057 -213.5534 104.1595 
1 1 1   -4   16    4 o  585.012   69.218  762.829  145.597  813.698  183.536  676.470  239.136  627.037   75.006  542.988  116.356 84.04901 138.4362 
1 1 1   -4   16    5 o  387.937   75.601  320.920  110.338  320.920  110.338   0.0000   0.0000  387.937   75.601  ?   ?       ?      ? 
1 1 1   -4   16    6 o  361.933   62.711  287.583   88.250  248.183  123.282  328.990  126.385  335.373   91.607  388.493   85.667 -53.11972 125.4220 
1 1 1   -4   16    7 o  377.950   92.760  316.862  135.795  316.862  135.795   0.0000   0.0000  377.950   92.760  ?   ?       ?      ? 
1 1 1   -4   16    8 o  394.481   60.094  328.940   93.241  196.960  125.064  494.110  139.908  300.893   95.127  488.069   73.456 -187.1768 120.1872 
1 1 1   -4   16    9 o  337.905   56.299  238.481   80.509  104.459  110.042  392.841  118.097  239.499   88.699  436.311   69.360 -196.8130 112.5983 
1 1 1   -4   16   10 o  544.445   80.839  687.447  166.279  670.535  236.495  703.981  233.835  536.081  116.385  552.810  112.226 -16.72919 161.6788 
1 1 1   -4   16   11 o  324.631   64.186  236.075   86.526  174.842  126.065  290.613  118.975  286.041   95.866  363.220   85.378 -77.17926 128.3729 
1 1 1   -4   16   12 o  182.211   48.402   46.046   43.438   84.070   80.364   30.352   51.630  212.187   76.224  152.235   59.675 59.95169 96.80431 
1 1 1   -4   16   13 o  152.183   44.973   12.948   38.193   33.542   80.349   6.9366   43.411  179.092   72.980  125.273   52.575 53.81916 89.94579 
1 1 1   -4   16   14 o  460.245   77.648  502.304  138.270  431.328  197.916  569.976  193.254  422.751  116.316  497.737  102.894 -74.98596 155.2950 
1 1 1   -4   16   15 o  470.108   59.882  455.422  109.856  455.422  109.856   0.0000   0.0000  470.108   59.882  ?   ?       ?      ? 
1 1 1   -4   16   16 o  627.811   53.561  807.865  131.223  807.865  131.223   0.0000   0.0000  627.811   53.561  ?   ?       ?      ? 
1 1 1   -4   16   17 o  473.161   58.001  466.463  107.097  466.463  107.097   0.0000   0.0000  473.161   58.001  ?   ?       ?      ? 
1 1 1   -4   16   18 o  623.049   58.467  817.482  142.155  817.482  142.155   0.0000   0.0000  623.049   58.467  ?   ?       ?      ? 
1 1 1   -4   16   19 o  325.930   61.298  261.098   77.946  272.355   96.787  240.322  131.483  344.247   74.231  307.613   97.568 36.63440 122.5959 
1 1 1   -4   16   20 o  407.789   62.227  440.254   88.004  478.240  102.786  335.943  170.329  472.881   55.699  342.697  111.295 130.1840 124.4544 
1 1 1   -4   16   21 o  206.506   58.704   79.520   69.215   63.240   85.172  111.179  118.771  188.259   75.703  224.754   89.741 -36.49522 117.4071 
1 1 1   -4   16   22 o  213.327   48.224   90.518   26.225   90.467   26.774   91.737  130.244  211.056   32.507  215.598   90.805 -4.542542 96.44837 
1 1 1   -4   16   23 o  496.251   75.419  757.854  120.775  787.975  135.530  641.672  266.174  595.409   58.329  397.094  139.103 198.3146 150.8379 
1 1 1   -4   16   24 o  470.647  182.724  1551.09  480.533   0.0000   0.0000  1551.09  480.533  ?   ?   470.647  182.724      ?      ? 
1 1 1   -4   16   25 o  204.396   61.794   89.116   76.378  102.027   81.907   3.0557  211.470  204.449   76.365  204.343   97.171 0.1064301 123.5870 
1 1 1   -4   16   26 o  288.467   56.122  240.377   39.913  242.044   40.507  184.802  233.898  343.615   30.208  233.318  108.102 110.2972 112.2434 
1 1 1   -4   16   27 f  381.593   65.596  553.636   96.072  572.094  102.670  423.699  272.405  499.393   52.683  263.792  120.148 235.6012 131.1911 
1 1 1   -4   16   28 o  351.246   62.143  471.894   87.034  486.913   92.255  350.346  262.449  459.776   51.418  242.717  113.150 217.0588 124.2851 
1 1 1   -4   16   29 o  250.771  115.525  406.349  261.572   0.0000   0.0000  406.349  261.572  ?   ?   250.771  115.525      ?      ? 
1 1 1   -4   16   30 o  180.684   45.368   78.590   26.925   81.122   27.260 -22.6718  172.408  191.571   37.806  169.796   82.485 21.77437 90.73670 
1 1 1   -4   16   31 o  211.736   45.906  125.763   32.433  128.654   33.071   53.028  165.874  245.380   34.536  178.092   85.068 67.28818 91.81129 
1 1 1   -4   17    1 o  403.486   57.113  354.672   84.399  374.303  105.580  319.921  140.475  428.261   63.175  378.711   95.166 49.55032 114.2262 
1 1 1   -4   17    2 o  309.869   53.146  213.652   62.980  239.114   79.686  171.279  102.798  337.692   62.780  282.046   85.770 55.64548 106.2913 
1 1 1   -4   17    3 o  446.017   55.601  382.489   90.027  308.023  107.925  552.841  163.235  379.247   75.577  512.787   81.573 -133.5396 111.2024 
1 1 1   -4   17    4 o  571.509   68.586  734.539  141.416  792.173  179.419  640.006  229.784  617.344   74.475  525.674  115.195 91.67035 137.1729 
1 1 1   -4   17    5 o  834.261   92.328  1679.30  274.582  1813.63  348.165  1458.28  446.595  913.572   97.659  754.950  156.717 158.6229 184.6551 
1 1 1   -4   17    6 o  633.872   73.225  903.781  168.127  936.282  212.188  848.956  275.585  666.394   81.594  601.349  121.614 65.04443 146.4497 
1 1 1   -4   17    7 o  932.304  122.098  2265.85  430.402  1817.41  564.873  2886.55  664.569  804.906  183.864  1059.70  160.703 -254.7956 244.1956 
1 1 1   -4   17    8 o  291.198   61.249  186.209   75.386  157.386  111.503  210.477  102.313  272.585   90.122  309.811   82.967 -37.22617 122.4971 
1 1 1   -4   17    9 o  642.073  130.203  995.617  315.079  995.617  315.079   0.0000   0.0000  642.073  130.203  ?   ?       ?      ? 
1 1 1   -4   17   10 o  538.963   76.967  659.214  158.893  512.757  216.785  829.229  233.571  462.974  119.258  614.951   97.330 -151.9773 153.9338 
1 1 1   -4   17   11 o  941.345  128.016  2423.04  455.923  1889.25  591.534  3204.18  715.576  794.065  192.820  1088.62  168.440 -294.5591 256.0310 
1 1 1   -4   17   12 o  618.026   81.284  853.878  188.035  564.141  242.343  1292.17  298.065  475.487  127.840  760.565  100.425 -285.0780 162.5678 
1 1 1   -4   17   13 o  341.882  102.531  273.175  147.650  273.175  147.650   0.0000   0.0000  341.882  102.531  ?   ?       ?      ? 
1 1 1   -4   17   14 o  342.626  109.062  282.925  164.172  282.925  164.172   0.0000   0.0000  342.626  109.062  ?   ?       ?      ? 
1 1 1   -4   17   15 f  858.568   59.384  1535.71  198.965  1535.71  198.965   0.0000   0.0000  858.568   59.384  ?   ?       ?      ? 
1 1 1   -4   17   16 o  233.345   56.189   63.681   76.182 -81.7463  103.017  239.198  113.174  148.438   69.744  318.252   88.117 -169.8138 112.3781 
1 1 1   -4   17   17 o  188.059   53.731   48.095   59.684   76.950   96.360   30.136   76.023  207.387   81.453  168.730   70.095 38.65694 107.4614 
1 1 1   -4   17   18 o  224.688   61.098  105.270   76.116   80.793  113.454  125.303  102.643  213.878   86.889  235.498   85.920 -21.62027 122.1964 
1 1 1   -4   17   19 o  237.611   61.013  133.963   72.786  137.843   95.728  128.646  112.062  239.857   83.455  235.365   89.025 4.491776 122.0255 
1 1 1   -4   17   20 o  228.132   60.681  123.899   74.182  142.993   97.135   97.179  114.909  240.230   84.039  216.034   87.557 24.19653 121.3623 
1 1 1   -4   17   21 o  222.503   69.963   80.642  106.423  112.513  227.865   71.751  120.355  241.286  109.894  203.720   86.618 37.56593 139.9265 
1 1 1   -4   17   22 o  293.812   56.308  247.966   84.477  371.142  105.084   22.942  142.033  394.412   70.879  193.212   87.514 201.2003 112.6169 
1 1 1   -4   17   24 o  327.098   61.046  271.457   42.114  268.710   42.986  337.123  210.175  363.088   30.338  291.108  118.263 71.98019 122.0920 
1 1 1   -4   17   25 o  410.378   70.183  619.347  110.315  646.969  120.644  478.439  272.490  527.513   58.606  293.243  127.547 234.2697 140.3669 
1 1 1   -4   17   26 o  238.852   57.991  106.716   27.385  103.270   27.617  309.404  211.783  223.066   31.726  254.638  111.559 -31.57201 115.9822 
1 1 1   -4   17   27 o  385.788   61.847  537.175   60.114  540.815   61.598  464.332  275.555  510.092   30.945  261.483  119.760 248.6088 123.6931 
1 1 1   -4   17   28 o  152.061   49.719   26.996   19.528   26.700   19.621   58.165  201.151  112.874   37.821  191.248   91.965 -78.37345 99.43821 
1 1 1   -4   17   29 o  174.888   45.566   68.000   24.580   69.605   24.840  -7.5693  170.397  177.569   37.046  172.207   83.262 5.362122 91.13157 
1 1 1   -4   17   30 o  223.980   42.854  160.149   32.325  167.356   32.943 -26.4927  167.641  283.133   29.815  164.828   80.355 118.3055 85.70821 
1 1 1   -4   18    1 o  850.484   93.107  1704.90  279.557  1682.82  341.213  1750.00  487.574  876.126   99.799  824.842  157.213 51.28339 186.2147 
1 1 1   -4   18    2 o  247.114   51.043  133.419   57.166  187.719   73.497   50.262   90.954  297.181   65.169  197.047   78.578 100.1345 102.0862 
1 1 1   -4   18    3 o  520.537   65.996  587.946  124.168  575.861  153.137  611.141  212.148  525.224   74.715  515.850  108.810 9.373901 131.9915 
1 1 1   -4   18    4 o  294.472   73.538  187.338   84.252  187.338   84.252   0.0000   0.0000  294.472   73.538  ?   ?       ?      ? 
1 1 1   -4   18    5 o  821.561   82.899  1478.30  249.429  1350.16  300.376  1762.93  447.663  785.209   98.027  857.914  133.714 -72.70471 165.7972 
1 1 1   -4   18    6 o  516.940   59.439  482.157  108.127  316.413  127.385  909.384  204.517  377.675   88.054  656.205   79.865 -278.5303 118.8777 
1 1 1   -4   18    7 o  783.886   90.195  1494.20  252.785  1605.83  320.400  1310.15  411.409  856.833   95.822  710.939  152.835 145.8934 180.3896 
1 1 1   -4   18    8 o  211.822   77.048   82.692   82.451   82.692   82.451   0.0000   0.0000  211.822   77.048  ?   ?       ?      ? 
1 1 1   -4   18    9 o  309.673   93.900  215.330  123.339  215.330  123.339   0.0000   0.0000  309.673   93.900  ?   ?       ?      ? 
1 1 1   -4   18   10 o  256.545   87.365  138.633  104.716  138.633  104.716   0.0000   0.0000  256.545   87.365  ?   ?       ?      ? 
1 1 1   -4   18   11 o  477.297  114.695  553.049  210.974  553.049  210.974   0.0000   0.0000  477.297  114.695  ?   ?       ?      ? 
1 1 1   -4   18   12 o  727.799  164.329  1536.28  455.675  1536.28  455.675   0.0000   0.0000  727.799  164.329  ?   ?       ?      ? 
1 1 1   -4   18   13 o  330.908  108.198  268.338  160.881  268.338  160.881   0.0000   0.0000  330.908  108.198  ?   ?       ?      ? 
1 1 1   -4   18   14 o  281.202   65.980  188.311   92.768   65.407  153.450  259.102  116.459  230.887   97.974  331.517   88.400 -100.6303 131.9603 
1 1 1   -4   18   15 o  190.223   84.581  -0.5297  126.064  -0.5297  126.064   0.0000   0.0000  190.223   84.581  ?   ?       ?      ? 
1 1 1   -4   18   16 o  331.937   70.115  276.487   96.928  233.505  126.245  338.206  151.278  304.095   95.501  359.779  102.685 -55.68335 140.2307 
1 1 1   -4   18   17 o  540.845   70.488  752.665  124.643  764.318  145.226  720.073  242.873  590.901   62.979  490.788  126.127 100.1134 140.9761 
1 1 1   -4   18   18 o  519.712   71.741  620.298  145.499  620.298  145.499   0.0000   0.0000  519.712   71.741  ?   ?       ?      ? 
1 1 1   -4   18   19 o  329.436   65.472  306.045   90.702  350.111  114.152  230.578  149.386  376.560   80.142  282.312  103.554 94.24823 130.9435 
1 1 1   -4   18   20 o  453.671   71.024  612.172  119.387  675.416  144.355  475.286  212.374  539.735   68.536  367.607  124.421 172.1284 142.0489 
1 1 1   -4   18   21 o  196.843   85.205   59.439  120.436   0.0000   0.0000   59.439  120.436  ?   ?   196.843   85.205      ?      ? 
1 1 1   -4   18   22 o  199.266   51.373   67.653   71.274  175.904   84.208 -205.7835  133.834  261.460   77.203  137.073   67.797 124.3866 102.7460 
1 1 1   -4   18   23 o  158.383   52.013 -17.8836   74.935   17.702   86.875 -121.3080  148.105  159.564   70.616  157.202   76.387 2.362289 104.0264 
1 1 1   -4   18   24 o  176.335   48.247   58.700   23.006   59.783   23.191  -8.4667  182.637  165.946   36.778  186.724   89.211 -20.77760 96.49451 
1 1 1   -4   18   25 f  124.836   44.998   6.9237   13.471   7.3187   13.505 -71.7643  190.617   76.414   30.339  173.259   84.728 -96.84489 89.99613 
1 1 1   -4   18   26 o  245.349  113.954  364.348  262.270   0.0000   0.0000  364.348  262.270  ?   ?   245.349  113.954      ?      ? 
1 1 1   -4   18   27 o  170.439   48.284   53.552   20.975   54.114   21.075  -5.5741  216.136  157.190   35.229  183.689   89.912 -26.49971 96.56709 
1 1 1   -4   18   28 o  230.629   47.092  152.414   32.013  155.197   32.576   74.017  172.923  272.875   30.592  188.383   89.077 84.49100 94.18407 
1 1 1   -4   18   29 o  147.812   41.611   43.346   20.588   45.379   20.809 -50.7650  141.578  142.405   37.080  153.218   74.505 -10.81294 83.22189 
1 1 1   -4   19    1 o  1184.14  138.294  3440.23  639.057  3440.23  639.057   0.0000   0.0000  1184.14  138.294  ?   ?       ?      ? 
1 1 1   -4   19    2 o  931.313  106.749  1953.50  387.964  1953.50  387.964   0.0000   0.0000  931.313  106.749  ?   ?       ?      ? 
1 1 1   -4   19    3 o  625.909   80.168  831.654  195.814  831.654  195.814   0.0000   0.0000  625.909   80.168  ?   ?       ?      ? 
1 1 1   -4   19    4 o  348.897   69.057  260.564   90.695  260.564   90.695   0.0000   0.0000  348.897   69.057  ?   ?       ?      ? 
1 1 1   -4   19    5 o  127.369   54.057   4.1756   46.726   4.1756   46.726   0.0000   0.0000  127.369   54.057  ?   ?       ?      ? 
1 1 1   -4   19    6 o  564.410   79.089  678.490  174.197  678.490  174.197   0.0000   0.0000  564.410   79.089  ?   ?       ?      ? 
1 1 1   -4   19    7 o  674.823   85.212  986.777  224.400  986.777  224.400   0.0000   0.0000  674.823   85.212  ?   ?       ?      ? 
1 1 1   -4   19    8 o  345.306   55.783  238.811   81.855   89.148  106.405  455.778  128.115  225.498   86.398  465.114   70.584 -239.6159 111.5651 
1 1 1   -4   19    9 o  416.522   71.914  413.153  120.845  259.842  168.512  575.476  173.394  329.763  110.835  503.282   91.663 -173.5185 143.8275 
1 1 1   -4   19   10 o  206.989   83.274   61.791  103.116   61.791  103.116   0.0000   0.0000  206.989   83.274  ?   ?       ?      ? 
1 1 1   -4   19   11 o  349.709   71.390  302.627  104.757  243.391  157.989  349.106  139.945  315.827  107.312  383.591   94.181 -67.76367 142.7794 
1 1 1   -4   19   12 o  446.456   80.695  525.497  146.084  376.670  208.712  668.433  204.540  371.122  123.329  521.791  104.099 -150.6695 161.3896 
1 1 1   -4   19   13 o  332.886   70.504  286.853  108.271  149.276  164.377  392.280  143.895  264.029  105.522  401.744   93.532 -137.7155 141.0073 
1 1 1   -4   19   14 o  460.264   87.102  615.937  166.461  445.270  235.985  784.954  234.841  379.228  131.083  541.300  114.737 -162.0720 174.2044 
1 1 1   -4   19   15 o  387.707   64.204  352.350  137.644 -82.7696  193.907  794.281  195.418  199.837   94.442  575.577   87.002 -375.7398 128.4085 
1 1 1   -4   19   16 o  210.829   63.337   73.330   79.500   44.602  181.258   80.173   88.463  221.070   99.612  200.587   78.254 20.48332 126.6734 
1 1 1   -4   19   17 o  294.468   71.349  239.750   98.943  301.344  149.863  192.154  131.737  322.508  104.364  266.429   97.318 56.07925 142.6976 
1 1 1   -4   19   18 o  592.621   74.466  834.050  172.213  834.050  172.213   0.0000   0.0000  592.621   74.466  ?   ?       ?      ? 
1 1 1   -4   19   19 o  253.031   65.598  113.662   87.077   11.363  104.801  341.743  156.485  171.575   76.645  334.486  106.479 -162.9108 131.1954 
1 1 1   -4   19   20 f  319.585   66.619  306.647   88.850  325.172  101.679  246.822  182.725  364.265   74.052  274.904  110.763 89.36166 133.2377 
1 1 1   -4   19   21 o  194.397   65.184 -14.1000  116.118   50.282  227.393 -36.8106  135.055  218.567  102.981  170.228   79.941 48.33900 130.3673 
1 1 1   -4   19   22 o  286.635   64.446  268.342   88.570  303.730  102.405  163.277  176.451  339.919   78.745  233.350  102.041 106.5694 128.8914 
1 1 1   -4   19   23 o  190.186   57.820   77.242   69.827   74.502   79.504   86.490  146.033  180.920   73.004  199.452   89.683 -18.53142 115.6398 
1 1 1   -4   19   24 o  219.565   69.570  170.364  123.464  138.495  217.310  185.554  150.029  211.810  100.063  227.319   96.682 -15.50946 139.1404 
1 1 1   -4   19   25 o  201.213   41.679  115.846   28.113  122.097   28.593 -65.8116  154.148  242.669   30.193  159.757   77.698 82.91267 83.35787 
1 1 1   -4   19   26 o  235.044   46.535  168.377   34.159  173.628   34.711   7.2078  192.302  288.850   30.794  181.239   87.828 107.6109 93.06985 
1 1 1   -4   19   27 o  151.145   49.511   17.169   15.758   15.606   15.844  160.294  151.592   92.270   33.743  210.021   93.097 -117.7503 99.02294 
1 1 1   -4   19   28 o  141.200   38.565   44.940   21.850   44.940   21.850   0.0000   0.0000  141.200   38.565  ?   ?       ?      ? 
1 1 1   -4   20    1 o  601.166   78.610  878.769  167.967  945.114  208.467  755.994  283.590  662.389   80.648  539.942  134.960 122.4476 157.2205 
1 1 1   -4   20    2 o  302.061   63.473  212.984   79.495  235.613   95.599  162.269  143.115  326.712   76.354  277.410  101.417 49.30219 126.9468 
1 1 1   -4   20    3 o  411.166   63.415  393.807   97.395  431.983  121.988  326.687  161.752  453.120   68.988  369.212  106.427 83.90790 126.8310 
1 1 1   -4   20    4 o  190.861   49.908   62.768   47.728   53.433   59.733   79.251   79.372  175.740   65.298  205.982   75.494 -30.24274 99.81541 
1 1 1   -4   20    5 o  620.865   85.324  848.078  206.727  848.078  206.727   0.0000   0.0000  620.865   85.324  ?   ?       ?      ? 
1 1 1   -4   20    6 o  406.263   66.634  366.148  102.197  285.237  129.513  499.663  166.368  349.004   93.297  463.522   95.162 -114.5179 133.2673 
1 1 1   -4   20    7 o  602.866   69.978  735.229  150.486  526.299  178.405  1250.51  280.176  469.972  100.328  735.760   97.580 -265.7883 139.9563 
1 1 1   -4   20    8 o  704.691   97.999  1160.47  269.497  1160.47  269.497   0.0000   0.0000  704.691   97.999  ?   ?       ?      ? 
1 1 1   -4   20    9 f  572.820   76.730  827.237  164.150  934.331  219.512  691.377  247.242  639.745   87.926  505.894  125.774 133.8513 153.4603 
1 1 1   -4   20   10 f  388.926   60.367  330.047  111.580   29.542  149.719  705.472  167.345  213.982   93.772  563.869   76.051 -349.8866 120.7345 
1 1 1   -4   20   11 f  379.409  114.798  394.578  184.494  394.578  184.494   0.0000   0.0000  379.409  114.798  ?   ?       ?      ? 
1 1 1   -4   20   12 o  761.407  112.967  1538.20  311.037  913.506  356.460  3531.45  636.734  493.144  161.045  1029.67  158.463 -536.5266 225.9337 
1 1 1   -4   20   15 o  364.914  110.513  397.284  170.920   0.0000   0.0000  397.284  170.920  ?   ?   364.914  110.513      ?      ? 
1 1 1   -4   20   16 o  257.207  113.012  176.360  218.734  176.360  218.734   0.0000   0.0000  257.207  113.012  ?   ?       ?      ? 
1 1 1   -4   20   17 o  298.201  108.870  280.109  164.840  280.109  164.840   0.0000   0.0000  298.201  108.870  ?   ?       ?      ? 
1 1 1   -4   20   18 o  330.708  136.163  493.089  283.329  493.089  283.329   0.0000   0.0000  330.708  136.163  ?   ?       ?      ? 
1 1 1   -4   20   19 o  197.778   56.819   81.423   64.229   81.933   75.212   80.050  123.441  191.635   72.825  203.921   87.236 -12.28601 113.6385 
1 1 1   -4   20   20 o  171.710   54.437   11.719   64.807 -11.9566   74.546   84.993  131.142  138.862   63.094  204.557   88.728 -65.69525 108.8737 
1 1 1   -4   20   21 o  243.468   76.339  217.480  146.450  166.136  249.786  244.375  180.783  231.114  108.593  255.822  107.323 -24.70775 152.6784 
1 1 1   -4   20   22 o  213.259   67.940  128.076  126.318   0.9297  209.276  200.947  158.434  190.795   92.255  235.723   99.762 -44.92892 135.8806 
1 1 1   -4   20   23 o  126.481   42.580 -44.1674   51.369 -57.9689   61.255 -11.4574   94.302  106.393   51.053  146.569   68.160 -40.17617 85.15974 
1 1 1   -4   20   24 o  186.197   53.716   81.050   54.084   67.594   61.532  126.757  113.404  168.477   65.392  203.917   85.237 -35.44049 107.4313 
1 1 1   -4   20   25 o  194.506   56.176  102.217   61.473   98.199   69.457  116.744  132.065  190.540   70.489  198.471   87.488 -7.931870 112.3514 
1 1 1   -4   20   26 o  329.681   62.711  276.398   77.732  276.398   77.732   0.0000   0.0000  329.681   62.711  ?   ?       ?      ? 
1 1 1   -4   20   27 o  233.571   30.467  114.297   27.771  114.297   27.771   0.0000   0.0000  233.571   30.467  ?   ?       ?      ? 
1 1 1   -4   21    1 o  556.082   97.372  858.832  210.811  986.748  309.122  747.619  288.235  600.701  135.139  511.462  140.224 89.23856 194.7442 
1 1 1   -4   21    2 o  410.964   72.903  414.591  109.696  414.271  129.796  415.392  205.212  427.803   80.707  394.125  121.432 33.67752 145.8057 
1 1 1   -4   21    3 o  315.005   60.738  256.047   87.563  349.473  107.637   73.234  150.567  397.368   72.066  232.642   97.790 164.7260 121.4757 
1 1 1   -4   21    4 o  603.548   78.867  874.085  171.098  800.864  207.762  1028.40  301.614  589.879   90.255  617.218  129.360 -27.33899 157.7337 
1 1 1   -4   21    5 o  637.519   82.980  999.521  190.106  905.232  230.565  1199.73  335.978  619.778   95.329  655.259  135.850 -35.48083 165.9608 
1 1 1   -4   21    6 o  557.469   71.015  595.233  137.427  375.026  158.061  1277.31  278.180  384.675  103.168  730.263   97.615 -345.5881 142.0291 
1 1 1   -4   21    7 o  245.325   58.117  123.461   77.996 -15.0212  118.307  229.921  103.731  179.522   80.722  311.129   83.633 -131.6067 116.2348 
1 1 1   -4   21    8 o  673.456  187.421  1800.14  510.617   0.0000   0.0000  1800.14  510.617  ?   ?   673.456  187.421      ?      ? 
1 1 1   -4   21   10 o  426.075  160.114  767.417  361.145  767.417  361.145   0.0000   0.0000  426.075  160.114  ?   ?       ?      ? 
1 1 1   -4   21   12 o  292.685  114.356  258.776  189.134  258.776  189.134   0.0000   0.0000  292.685  114.356  ?   ?       ?      ? 
1 1 1   -4   21   13 o  276.110   70.275  219.937  108.011   76.074  186.413  292.645  132.523  226.730  101.685  325.491   97.029 -98.76128 140.5504 
1 1 1   -4   21   14 o  169.396   81.238 -105.2148  154.609 -105.2148  154.609   0.0000   0.0000  169.396   81.238  ?   ?       ?      ? 
1 1 1   -4   21   15 o  221.857  101.185   65.811  194.032   65.811  194.032   0.0000   0.0000  221.857  101.185  ?   ?       ?      ? 
1 1 1   -4   21   16 o  274.840   76.234  239.811  119.858  181.678  242.330  258.639  137.908  254.457  114.867  295.223  100.261 -40.76653 152.4689 
1 1 1   -4   21   18 o  209.909   78.657  109.224   87.035  109.224   87.035   0.0000   0.0000  209.909   78.657  ?   ?       ?      ? 
1 1 1   -4   21   19 o  209.723   56.327  115.409   69.099  154.026   82.309   23.222  127.171  239.783   77.318  179.663   81.932 60.11974 112.6540 
1 1 1   -4   21   20 o  260.120   78.228  290.283  140.517  274.680  250.275  297.466  169.806  245.996  113.206  274.243  107.994 -28.24718 156.4556 
1 1 1   -4   21   21 o  191.111   62.075   65.996  100.097  117.748  173.411   40.137  122.580  206.296   94.675  175.926   80.310 30.37033 124.1495 
1 1 1   -4   21   22 o  236.920   56.023  180.994   65.305  202.167   74.355  109.551  136.583  275.591   69.228  198.250   88.100 77.34032 112.0451 
1 1 1   -4   21   23 o  272.573   61.952  238.819   70.756  232.170   79.015  265.734  158.970  294.846   69.761  250.301  102.400 44.54501 123.9044 
1 1 1   -4   21   24 o  286.981   71.926  226.178   80.393  226.178   80.393   0.0000   0.0000  286.981   71.926  ?   ?       ?      ? 
1 1 1   -4   21   25 o  216.571   73.988  137.956   75.105  137.956   75.105   0.0000   0.0000  216.571   73.988  ?   ?       ?      ? 
1 1 1   -4   22    1 o  312.349  110.304  263.043  167.609   0.0000   0.0000  263.043  167.609  ?   ?   312.349  110.304      ?      ? 
1 1 1   -4   22    2 o  320.542  110.997  280.689  169.245   0.0000   0.0000  280.689  169.245  ?   ?   320.542  110.997      ?      ? 
1 1 1   -4   22    5 o  512.952  155.735  954.410  339.109  954.410  339.109   0.0000   0.0000  512.952  155.735  ?   ?       ?      ? 
1 1 1   -4   22    6 o  165.635   50.681   5.9040   61.914 -38.6437   85.915   54.036   89.304  143.831   66.241  187.438   76.724 -43.60681 101.3629 
1 1 1   -4   22    7 o  233.982   61.665  115.613   78.478   52.266  106.047  192.301  116.682  194.251   81.882  273.714   92.227 -79.46353 123.3306 
1 1 1   -4   22    8 o  477.379  144.469  817.974  292.165  817.974  292.165   0.0000   0.0000  477.379  144.469  ?   ?       ?      ? 
1 1 1   -4   22    9 o  482.293  109.043  655.090  200.413  655.090  200.413   0.0000   0.0000  482.293  109.043  ?   ?       ?      ? 
1 1 1   -4   22   10 o  259.383   66.603  178.083   86.005  180.128  138.872  176.810  109.540  258.710   98.803  260.057   89.341 -1.346893 133.2059 
1 1 1   -4   22   11 o  271.156   66.367  200.879   97.284   65.829  149.719  299.566  127.985  211.660   93.235  330.651   94.476 -118.9912 132.7344 
1 1 1   -4   22   12 o  179.764   82.387  -7.6319  130.709  -7.6319  130.709   0.0000   0.0000  179.764   82.387  ?   ?       ?      ? 
1 1 1   -4   22   13 o  184.219   56.985   41.110   74.791 -103.5481  173.977   73.905   82.836  177.931   85.553  190.506   75.298 -12.57512 113.9697 
1 1 1   -4   22   14 o  222.370  102.856   61.853  210.440   61.853  210.440   0.0000   0.0000  222.370  102.856  ?   ?       ?      ? 
1 1 1   -4   22   15 o  178.682   88.336 -226.0761  226.264 -226.0761  226.264   0.0000   0.0000  178.682   88.336  ?   ?       ?      ? 
1 1 1   -4   22   16 o  202.530   98.698 -76.5063  252.230 -76.5063  252.230   0.0000   0.0000  202.530   98.698  ?   ?       ?      ? 
1 1 1   -4   22   17 f  222.742   88.701  136.789  115.748   0.0000   0.0000  136.789  115.748  ?   ?   222.742   88.701      ?      ? 
1 1 1   -4   22   18 o  377.819  105.228  1050.05  282.107  485.293  408.276  1566.04  390.252  258.487  125.880  497.151  168.660 -238.6641 210.4564 
1 1 1   -4   22   19 o  282.460   72.224  199.277   91.928   94.761  104.023  571.949  196.428  193.405   81.288  371.515  119.406 -178.1101 144.4490 
1 1 1   -4   22   20 o  187.885   58.353   40.902   76.670 -29.1381   91.314  208.265  141.154  139.178   65.479  236.592   96.607 -97.41486 116.7065 
1 1 1   -4   22   21 o  217.668   79.667  142.695   88.346  142.695   88.346   0.0000   0.0000  217.668   79.667  ?   ?       ?      ? 
1 1 1   -4   22   22 o  134.777   62.753 -17.6127   80.326 -17.6127   80.326   0.0000   0.0000  134.777   62.753  ?   ?       ?      ? 
1 1 1   -4   22   23 o  173.046   57.422   21.347   78.967 -12.1541   88.938  146.125  171.644  141.096   65.807  204.997   94.121 -63.90138 114.8446 
1 1 1   -4   22   24 o  253.439   73.493  216.378   90.498  154.650   98.567  547.779  228.385  215.542   83.013  291.337  121.300 -75.79453 146.9859 
1 1 1   -4   23    1 o  241.266   61.541  148.846   79.142  187.489   90.378   21.777  163.889  275.456   79.598  207.075   93.880 68.38152 123.0827 
1 1 1   -4   23    2 o  172.590   56.194 -35.8497   88.580 -86.3110  126.548   12.625  124.032  159.184   75.543  185.996   83.213 -26.81230 112.3883 
1 1 1   -4   23    3 o  209.508   64.816   57.096  101.201   78.177  139.426   33.624  147.124  215.791   92.524  203.226   90.796 12.56505 129.6328 
1 1 1   -4   23    4 o  418.380   81.474  496.221  128.369  443.635  152.171  625.996  239.052  407.016   97.152  429.744  130.819 -22.72806 162.9486 
1 1 1   -4   23    5 o  430.925   79.970  513.676  129.368  431.143  156.647  690.716  229.426  394.359  101.264  467.490  123.800 -73.13101 159.9402 
1 1 1   -4   23    6 o  373.816   91.552  510.750  165.881  470.736  263.040  537.170  213.741  344.785  134.820  402.846  123.898 -58.06085 183.1044 
1 1 1   -4   23    7 o  257.586   68.503  180.794   93.489  186.504  124.622  173.446  141.385  261.717   94.797  253.455   98.916 8.262054 137.0067 
1 1 1   -4   23    8 o  245.933   63.718  126.218   90.086   0.5690  120.941  282.826  135.020  177.453   80.527  314.413   98.768 -136.9605 127.4354 
1 1 1   -4   23    9 o  313.736   72.621  285.583  107.582  182.521  145.850  408.578  159.331  255.406  100.243  372.065  105.102 -116.6591 145.2413 
1 1 1   -4   23   10 o  237.777   95.254  146.291  134.291  146.291  134.291   0.0000   0.0000  237.777   95.254  ?   ?       ?      ? 
1 1 1   -4   23   11 o  177.606   79.419   17.989  112.826   17.989  112.826   0.0000   0.0000  177.606   79.419  ?   ?       ?      ? 
1 1 1   -4   23   12 o  238.860   63.310  148.822   79.453  189.969  121.182  117.797  105.226  258.797   93.519  218.924   85.364 39.87323 126.6206 
1 1 1   -4   23   13 f  170.356   76.411   14.423  105.295   14.423  105.295   0.0000   0.0000  170.356   76.411  ?   ?       ?      ? 
1 1 1   -4   23   14 o  270.449  122.934  324.265  283.372  324.265  283.372   0.0000   0.0000  270.449  122.934  ?   ?       ?      ? 
1 1 1   -4   23   15 o  204.099   99.937 -42.4108  267.707 -42.4108  267.707   0.0000   0.0000  204.099   99.937  ?   ?       ?      ? 
1 1 1   -4   23   16 o  280.858   80.091  376.845  159.237  165.883  316.945  448.075  184.168  227.146  110.681  334.571  115.792 -107.4250 160.1812 
1 1 1   -4   23   17 o  245.849   73.456  258.281  134.420   88.461  309.106  297.885  149.273  211.653  104.374  280.044  103.388 -68.39127 146.9120 
1 1 1   -4   23   18 o  208.612  102.752  109.220  296.639  109.220  296.639   0.0000   0.0000  208.612  102.752  ?   ?       ?      ? 
1 1 1   -4   23   19 o  202.728   86.701  124.310  121.867  124.310  121.867   0.0000   0.0000  202.728   86.701  ?   ?       ?      ? 
1 1 1   -4   23   20 o  208.481   61.840  136.996   90.926  196.514  118.152   50.550  142.393  236.700   90.958  180.262   83.804 56.43813 123.6792 
1 1 1   -4   23   21 f  210.104   65.432  133.326   95.308   84.723  113.112  252.303  176.974  184.500   81.162  235.708  102.655 -51.20779 130.8636 
1 1 1   -4   23   22 o  188.378   63.800 -11.1737   97.928 -103.6660  109.386  362.242  219.788  129.863   63.649  246.893  110.592 -117.0300 127.6005 
1 1 1   -4   23   23 o  216.928   68.059  193.442  105.127  170.163  117.051  290.557  239.072  214.627   87.844  219.229  103.978 -4.601440 136.1171 
1 1 1   -4   24    1 o  312.089   83.543  331.544  138.367  306.855  181.555  365.754  213.714  305.458  113.772  318.721  122.366 -13.26312 167.0858 
1 1 1   -4   24    2 o  274.469   66.356  224.321   96.792  285.243  114.742   74.012  180.231  328.025   87.870  220.913   99.454 107.1123 132.7114 
1 1 1   -4   24    3 o  308.926   84.584  335.421  145.453  358.488  207.610  313.184  203.844  317.391  120.903  300.462  118.322 16.92828 169.1678 
1 1 1   -4   24    4 o  353.486  130.046  482.195  235.847  482.195  235.847   0.0000   0.0000  353.486  130.046  ?   ?       ?      ? 
1 1 1   -4   24    5 o  365.945   82.092  416.355  124.128  373.851  147.227  520.836  230.828  359.801  100.819  372.088  129.584 -12.28766 164.1841 
1 1 1   -4   24    6 o  361.622   84.106  438.206  134.971  410.406  170.253  485.232  221.434  361.774  110.462  361.470  126.861 0.3038025 168.2129 
1 1 1   -4   24    7 o  265.686  112.498  225.075  201.624  225.075  201.624   0.0000   0.0000  265.686  112.498  ?   ?       ?      ? 
1 1 1   -4   24    8 o  266.715   75.021  217.229  115.227  189.498  149.257  258.139  181.286  254.602  100.934  278.828  111.017 -24.22569 150.0411 
1 1 1   -4   24    9 o  261.936  101.326  208.520  147.353  208.520  147.353   0.0000   0.0000  261.936  101.326  ?   ?       ?      ? 
1 1 1   -4   24   10 o  245.790   96.608  175.742  135.649  175.742  135.649   0.0000   0.0000  245.790   96.608  ?   ?       ?      ? 
1 1 1   -4   24   11 f  309.375   72.407  290.071  106.953  171.238  139.559  459.182  166.486  240.646   96.856  378.104  107.656 -137.4584 144.8135 
1 1 1   -4   24   12 o  194.111   82.966   77.155  111.474   77.155  111.474   0.0000   0.0000  194.111   82.966  ?   ?       ?      ? 
1 1 1   -4   24   13 o  170.937   78.087   17.094  116.143   17.094  116.143   0.0000   0.0000  170.937   78.087  ?   ?       ?      ? 
1 1 1   -4   24   14 o  166.304   77.750  -4.2265  125.337  -4.2265  125.337   0.0000   0.0000  166.304   77.750  ?   ?       ?      ? 
1 1 1   -4   24   15 o  186.886   92.373 -62.3941  246.996 -62.3941  246.996   0.0000   0.0000  186.886   92.373  ?   ?       ?      ? 
1 1 1   -4   24   16 o  227.657  110.355  278.769  304.185  278.769  304.185   0.0000   0.0000  227.657  110.355  ?   ?       ?      ? 
1 1 1   -4   24   17 o  273.315   80.997  450.961  183.465   95.126  337.148  600.658  218.677  205.783  102.738  340.846  125.249 -135.0624 161.9949 
1 1 1   -4   24   18 o  237.658   75.012  280.046  146.482  249.684  333.872  287.284  163.008  218.619  107.934  256.696  104.198 -38.07635 150.0231 
1 1 1   -4   24   19 o  224.830   69.966  217.866  136.962 -20.4404  276.266  295.523  157.707  188.648   93.993  261.012  103.664 -72.36403 139.9320 
1 1 1   -4   24   20 o  220.855   68.387  196.515  111.248  160.890  146.928  244.379  170.305  209.636   92.352  232.073  100.887 -22.43745 136.7738 
1 1 1   -4   24   21 o  274.081   78.611  185.971  130.185 -66.8818  149.879  962.919  262.726  153.152   74.945  395.009  138.209 -241.8569 157.2215 
1 1 1   -4   25    1 f  267.021   80.159  240.708  146.085  202.373  206.808  278.886  206.384  254.763  110.961  279.278  115.713 -24.51556 160.3180 
1 1 1   -4   25    2 o  297.549   86.241  347.400  159.671  372.395  231.317  324.651  220.678  304.036  123.854  291.063  120.043 12.97354 172.4819 
1 1 1   -4   25    3 o  265.910   71.083  221.454  103.443  244.448  121.631  161.346  196.650  290.187   94.033  241.634  106.624 48.55298 142.1652 
1 1 1   -4   25    4 o  266.232   74.287  222.627  109.651  217.290  128.955  236.559  208.346  269.727   96.591  262.737  112.890 6.989807 148.5733 
1 1 1   -4   25    5 o  362.928   87.312  484.868  142.016  447.780  165.518  588.354  276.488  376.668  107.376  349.188  137.709 27.47977 174.6236 
1 1 1   -4   25    6 o  269.772   78.738  207.369  122.255  118.255  143.638  441.625  232.886  219.720   94.052  319.823  126.304 -100.1032 157.4751 
1 1 1   -4   25    7 o  226.699   97.431  139.107  155.260  139.107  155.260   0.0000   0.0000  226.699   97.431  ?   ?       ?      ? 
1 1 1   -4   25    8 o  264.958  105.369  245.317  163.133  245.317  163.133   0.0000   0.0000  264.958  105.369  ?   ?       ?      ? 
1 1 1   -4   25    9 o  187.892   86.616   33.165  147.386   33.165  147.386   0.0000   0.0000  187.892   86.616  ?   ?       ?      ? 
1 1 1   -4   25   10 o  245.399  100.910  212.814  155.366  212.814  155.366   0.0000   0.0000  245.399  100.910  ?   ?       ?      ? 
1 1 1   -4   25   11 o  147.056   70.748 -70.8829  119.381 -70.8829  119.381   0.0000   0.0000  147.056   70.748  ?   ?       ?      ? 
1 1 1   -4   25   12 o  243.487  100.068  224.902  152.679  224.902  152.679   0.0000   0.0000  243.487  100.068  ?   ?       ?      ? 
1 1 1   -4   25   13 o  265.569  105.431  296.600  163.068  296.600  163.068   0.0000   0.0000  265.569  105.431  ?   ?       ?      ? 
1 1 1   -4   25   14 o  232.124   99.381  215.162  160.433  215.162  160.433   0.0000   0.0000  232.124   99.381  ?   ?       ?      ? 
1 1 1   -4   25   15 o  151.761   74.254 -94.5735  146.976 -94.5735  146.976   0.0000   0.0000  151.761   74.254  ?   ?       ?      ? 
1 1 1   -4   25   16 o  279.555   81.741  456.255  167.790  247.254  269.628  588.345  214.351  221.575  106.530  337.535  124.008 -115.9606 163.4829 
1 1 1   -4   25   17 o  250.086   76.406  340.388  158.502  119.064  277.583  447.461  193.073  202.826   99.805  297.346  115.717 -94.51981 152.8114 
1 1 1   -4   25   18 o  202.639   66.085  127.421  134.521 -88.0678  225.622  246.273  167.561  171.903   85.534  233.376  100.760 -61.47289 132.1693 
1 1 1   -4   25   19 o  208.928   99.667  208.377  226.154  208.377  226.154   0.0000   0.0000  208.928   99.667  ?   ?       ?      ? 
1 1 1   -4   26    1 o  275.655   84.762  349.109  173.840  494.686  252.524  217.971  239.673  310.100  128.199  241.210  110.922 68.88986 169.5248 
1 1 1   -4   26    2 o  218.332   65.750  134.457   98.162  157.195  111.800   57.938  205.089  230.823   88.532  205.840   97.233 24.98357 131.4995 
1 1 1   -4   26    3 o  256.194   72.392  237.533  111.263  250.930  129.650  200.089  216.744  276.162   97.063  236.226  107.430 39.93536 144.7846 
1 1 1   -4   26    4 o  231.857   69.618  172.877  105.528  171.978  122.476  175.467  207.915  234.662   91.931  229.052  104.574 5.610291 139.2369 
1 1 1   -4   26    5 o  322.082   84.095  437.517  135.301  396.328  159.709  542.240  254.656  330.503  107.790  313.661  129.110 16.84192 168.1908 
1 1 1   -4   26    6 o  272.098   78.601  302.759  125.748  264.580  148.997  397.271  234.428  267.219  102.273  276.978  119.384 -9.758881 157.2015 
1 1 1   -4   26    7 o  367.964   89.101  640.874  157.742  615.757  190.630  695.422  280.930  404.364  115.220  331.564  135.941 72.79962 178.2012 
1 1 1   -4   26    8 o  203.910   62.645  117.308   92.914  135.665  111.630   75.912  167.633  212.266   86.205  195.554   90.918 16.71251 125.2894 
1 1 1   -4   26    9 o  261.082   71.863  265.817  104.302  257.107  126.946  283.913  182.979  269.775   95.918  252.390  107.036 17.38516 143.7251 
1 1 1   -4   26   10 o  256.240   96.325  240.605  130.729  240.605  130.729   0.0000   0.0000  256.240   96.325  ?   ?       ?      ? 
1 1 1   -4   26   11 o  253.967   71.888  211.863  112.016   61.972  139.929  479.294  186.908  183.686   84.574  324.248  116.269 -140.5619 143.7751 
1 1 1   -4   26   12 o  177.869   82.500   45.137  136.761   45.137  136.761   0.0000   0.0000  177.869   82.500  ?   ?       ?      ? 
1 1 1   -4   26   13 o  196.814   97.452   44.282  279.347   44.282  279.347   0.0000   0.0000  196.814   97.452  ?   ?       ?      ? 
1 1 1   -4   26   14 o  208.033   67.444  152.315  125.704   83.550  242.448  177.596  147.006  197.600   96.398  218.467   94.351 -20.86694 134.8878 
1 1 1   -4   26   15 o  258.620   79.286  392.896  156.145  334.240  262.486  425.020  194.253  232.176  109.773  285.065  114.434 -52.88919 158.5724 
1 1 1   -4   26   16 o  170.882   85.032 -84.9636  223.148 -84.9636  223.148   0.0000   0.0000  170.882   85.032  ?   ?       ?      ? 
1 1 1   -4   26   17 o  297.414  124.950  633.477  245.607   0.0000   0.0000  633.477  245.607  ?   ?   297.414  124.950      ?      ? 
1 1 1   -4   27    1 o  218.943   67.970  119.777  113.871  334.263  181.899 -18.4459  146.023  270.515  109.972  167.372   79.911 103.1432 135.9398 
1 1 1   -4   27    2 o  203.018   64.375   85.333  103.920  244.007  168.821 -11.4721  131.863  242.280  102.784  163.756   77.538 78.52444 128.7503 
1 1 1   -4   27    3 o  218.786   64.971  158.530   91.543  148.792  112.915  177.207  156.371  216.270   87.095  221.302   96.434 -5.031509 129.9426 
1 1 1   -4   27    4 o  328.828   78.286  482.600  129.456  512.338  158.079  422.043  225.579  383.401  103.321  274.255  117.642 109.1461 156.5721 
1 1 1   -4   27    5 o  218.983   64.691  166.521   95.370  190.390  114.400  112.135  172.685  236.814   89.859  201.151   93.088 35.66322 129.3829 
1 1 1   -4   27    6 o  290.741   78.276  373.759  120.831  344.482  144.612  441.474  219.931  300.310  102.666  281.172  118.188 19.13803 156.5524 
1 1 1   -4   27    7 f  181.341   60.092   0.0024   90.336 -75.0270  104.836  216.372  178.029  134.922   65.253  227.760  100.928 -92.83740 120.1846 
1 1 1   -4   27    8 o  201.315   64.007   61.887   89.761 -14.8993  103.053  303.287  182.722  149.003   69.928  253.627  107.227 -104.6244 128.0137 
1 1 1   -4   27    9 o  223.466   69.839  162.238  128.164 -15.1954  175.404  365.473  187.725  174.111   84.254  272.820  111.406 -98.70882 139.6779 
1 1 1   -4   27   10 f  220.769  103.920  224.847  230.561  224.847  230.561   0.0000   0.0000  220.769  103.920  ?   ?       ?      ? 
1 1 1   -4   27   11 o  244.614   76.122  283.955  166.446 -53.7567  255.048  534.483  219.674  182.499   90.828  306.728  122.181 -124.2287 152.2431 
1 1 1   -4   27   12 f  176.260   85.757  -4.3418  188.268  -4.3418  188.268   0.0000   0.0000  176.260   85.757  ?   ?       ?      ? 
1 1 1   -4   27   13 o  221.844  105.071  274.588  242.460  274.588  242.460   0.0000   0.0000  221.844  105.071  ?   ?       ?      ? 
1 1 1   -4   27   14 o  162.729   81.906 -179.0143  236.414 -179.0143  236.414   0.0000   0.0000  162.729   81.906  ?   ?       ?      ? 
1 1 1   -4   28    1 o  173.582   58.729   0.9471  114.469 -95.8520  194.126   52.546  141.732  166.730   82.313  180.434   83.792 -13.70447 117.4587 
1 1 1   -4   28    2 o  214.545   68.686  172.415  123.008  169.235  200.338  174.339  155.844  212.149   98.886  216.941   95.354 -4.792221 137.3715 
1 1 1   -4   28    3 o  214.766   94.924  168.476  156.490   0.0000   0.0000  168.476  156.490  ?   ?   214.766   94.924      ?      ? 
1 1 1   -4   28    4 f  258.201  110.215  341.506  196.261   0.0000   0.0000  341.506  196.261  ?   ?   258.201  110.215      ?      ? 
1 1 1   -4   28    5 o  245.989  106.854  297.822  190.752   0.0000   0.0000  297.822  190.752  ?   ?   245.989  106.854      ?      ? 
1 1 1   -4   28    6 o  202.936   92.369  134.174  160.667   0.0000   0.0000  134.174  160.667  ?   ?   202.936   92.369      ?      ? 
1 1 1   -4   28    7 o  229.699   71.334  193.233  130.321   13.198  174.335  421.260  196.200  176.832   85.179  282.565  114.450 -105.7328 142.6683 
1 1 1   -4   28    8 o  304.801   83.358  364.929  130.152  183.919  150.520  901.275  259.100  217.213   94.634  392.389  137.255 -175.1761 166.7164 
1 1 1   -4   28    9 o  211.102   67.141  166.834  112.139  124.490  141.223  239.097  184.486  197.125   88.450  225.079  101.036 -27.95457 134.2820 
1 1 1   -4   28   10 o  171.959   57.791  -3.0416  105.882 -126.6631  142.135  151.097  158.712  141.301   69.885  202.617   92.062 -61.31638 115.5827 
1 1 1   -4   28   11 o  263.201   79.198  358.739  136.524  214.856  167.792  640.581  234.838  217.076   96.976  309.327  125.240 -92.25099 158.3958 
1 1 1   -4   29    1 o  222.533   70.414  221.185  121.682  193.848  147.893  278.471  214.088  218.608   94.523  226.458  104.394 -7.850021 140.8284 
1 1 1   -4   29    2 o  210.762   67.345  176.220  115.106  151.261  143.892  220.576  191.823  204.391   90.647  217.133   99.621 -12.74149 134.6894 
1 1 1   -4   29    3 f  231.206   70.727  223.831  113.263  139.985  141.957  370.714  187.888  200.414   89.389  261.998  109.632 -61.58443 141.4549 
1 1 1   -4   29    4 o  187.643   61.027   93.146  100.454   53.443  130.061  151.848  158.149  173.161   80.364  202.125   91.862 -28.96404 122.0537 
1 1 1   -4   29    5 o  261.821  113.457  431.889  214.017  431.889  214.017   0.0000   0.0000  261.821  113.457  ?   ?       ?      ? 
1 1 1   -3    0    1 o  383.838   16.793  291.207   35.261  291.207   35.261  291.207   35.261  383.838   23.749  383.838   23.749 -0.000000 0.000000 
1 1 1   -3    0    2 o  183.124   16.214   68.539   15.690   68.539   15.690   68.539   15.690  183.124   22.930  183.124   22.930 0.000000 0.000000 
1 1 1   -3    0    3 o  870.720   23.176  1490.13  111.013  1490.13  111.013  1490.13  111.013  870.720   32.776  870.720   32.776 0.000000 0.000000 
1 1 1   -3    0    4 o  671.163   20.189  885.806   74.472  885.806   74.472  885.806   74.472  671.163   28.551  671.163   28.551 -0.000000 0.000000 
1 1 1   -3    0    5 f  604.654   19.310  719.357   64.137  719.357   64.137  719.357   64.137  604.654   27.308  604.654   27.308 -0.000000 0.000000 
1 1 1   -3    0    6 o  870.254   23.211  1489.21  111.115  1489.21  111.115  1489.21  111.115  870.254   32.825  870.254   32.825 -0.000000 0.000000 
1 1 1   -3    0    7 o  448.752   25.215  402.045   61.541  402.045   61.541  402.045   61.541  448.752   35.660  448.752   35.660 0.000000 0.000000 
1 1 1   -3    0    8 o  138.664   19.080   41.593   13.015   41.593   13.015   41.593   13.015  138.664   26.984  138.664   26.984 0.000000 0.000000 
1 1 1   -3    0    9 o   74.666   22.110   15.392   9.1388   15.392   9.1388   15.392   9.1388   74.666   31.268   74.666   31.268 -0.000000 0.000000 
1 1 1   -3    0   10 o  439.420   17.555  381.565   42.262  381.565   42.262  381.565   42.262  439.420   24.827  439.420   24.827 -0.000000 0.000000 
1 1 1   -3    0   11 o  1699.73   38.659  5764.76  361.794  5764.76  361.794  5764.76  361.794  1699.73   54.672  1699.73   54.672 -0.000000 0.000000 
1 1 1   -3    0   12 o  277.349   24.527  158.358   35.954  158.358   35.954  158.358   35.954  277.349   34.687  277.349   34.687 -0.000000 0.000000 
1 1 1   -3    0   13 o  522.603   18.495  540.192   53.038  540.192   53.038  540.192   53.038  522.603   26.156  522.603   26.156 -0.000000 0.000000 
1 1 1   -3    0   14 f  858.822   23.194  1458.84  109.571  1458.84  109.571  1458.84  109.571  858.822   32.802  858.822   32.802 0.000000 0.000000 
1 1 1   -3    0   15 o  356.776   17.044  252.783   33.208  252.783   33.208  252.783   33.208  356.776   24.104  356.776   24.104 0.000000 0.000000 
1 1 1   -3    0   16 o  418.422   17.541  346.499   40.180  346.499   40.180  346.499   40.180  418.422   24.807  418.422   24.807 0.000000 0.000000 
1 1 1   -3    0   17 o  301.488   25.202  185.843   40.392  185.843   40.392  185.843   40.392  301.488   35.641  301.488   35.641 -0.000000 0.000000 
1 1 1   -3    0   18 o  514.449   18.474  522.180   52.143  522.180   52.143  522.180   52.143  514.449   26.127  514.449   26.127 0.000000 0.000000 
1 1 1   -3    0   19 o  711.385   30.112  1006.81  117.249  1006.81  117.249  1006.81  117.249  711.385   42.585  711.385   42.585 -0.000000 0.000000 
1 1 1   -3    0   20 o  667.143   28.985  885.550  105.794  885.550  105.794  885.550  105.794  667.143   40.991  667.143   40.991 -0.000000 0.000000 
1 1 1   -3    0   21 o  252.950   17.833  128.943   24.327  128.943   24.327  128.943   24.327  252.950   25.220  252.950   25.220 0.000000 0.000000 
1 1 1   -3    0   22 o  731.437   21.336  1054.74   85.795  1054.74   85.795  1054.74   85.795  731.437   30.174  731.437   30.174 0.000000 0.000000 
1 1 1   -3    0   23 o  490.876   18.610  476.200   50.083  476.200   50.083  476.200   50.083  490.876   26.318  490.876   26.318 -0.000000 0.000000 
1 1 1   -3    0   24 o  256.785   25.756  137.208   34.380  137.208   34.380  137.208   34.380  256.785   36.425  256.785   36.425 0.000000 0.000000 
1 1 1   -3    0   25 o  1218.89   29.620  2946.57  198.716  2946.57  198.716  2946.57  198.716  1218.89   41.889  1218.89   41.889 -0.000000 0.000000 
1 1 1   -3    0   26 o  281.258   19.566  159.791   29.696  159.791   29.696  159.791   29.696  281.258   27.671  281.258   27.671 0.000000 0.000000 
1 1 1   -3    0   27 o  422.151   18.824  354.525   43.457  354.525   43.457  354.525   43.457  422.151   26.622  422.151   26.622 0.000000 0.000000 
1 1 1   -3    0   28 o  757.432   22.309  1140.37   92.887  1140.37   92.887  1140.37   92.887  757.432   31.550  757.432   31.550 -0.000000 0.000000 
1 1 1   -3    0   29 o   85.773   30.099   21.742   17.210   21.742   17.210   21.742   17.210   85.773   42.566   85.773   42.566 0.000000 0.000000 
1 1 1   -3    0   30 o  130.548   32.139   44.534   20.926   44.534   20.926   44.534   20.926  130.548   45.451  130.548   45.451 0.000000 0.000000 
1 1 1   -3    0   31 o  524.053   32.183  570.141   91.463  570.141   91.463  570.141   91.463  524.053   45.514  524.053   45.514 -0.000000 0.000000 
1 1 1   -3    0   32 o  306.556   21.505  192.457   35.561  192.457   35.561  192.457   35.561  306.556   30.413  306.556   30.413 -0.000000 0.000000 
1 1 1   -3    0   33 o  442.803   21.053  396.833   50.915  396.833   50.915  396.833   50.915  442.803   29.774  442.803   29.774 -0.000000 0.000000 
1 1 1   -3    0   34 o  177.830   32.788   76.164   27.805   76.164   27.805   76.164   27.805  177.830   46.369  177.830   46.369 0.000000 0.000000 
1 1 1   -3    0   35 o  164.986   36.211   70.111   28.879   70.111   28.879   70.111   28.879  164.986   51.211  164.986   51.211 0.000000 0.000000 
1 1 1   -3    0   36 o  252.049   24.691  135.763   32.464  135.763   32.464  135.763   32.464  252.049   34.918  252.049   34.918 -0.000000 0.000000 
1 1 1   -3    0   37 o  122.462   35.971   44.094   24.222   44.094   24.222   44.094   24.222  122.462   50.870  122.462   50.870 0.000000 0.000000 
1 1 1   -3    1    1 o  656.723   19.838  844.819   50.827  864.704   72.888  825.997   70.913  664.235   28.119  649.211   27.990 15.02368 39.67558 
1 1 1   -3    1    2 o  304.416   15.892  181.329   18.878  178.780   26.624  183.907   26.770  302.260   22.572  306.572   22.376 -4.311584 31.78338 
1 1 1   -3    1    3 o  591.435   18.990  685.207   43.824  696.061   62.570  674.755   61.399  596.028   26.901  586.843   26.811 9.184814 37.97987 
1 1 1   -3    1    4 o  990.073   25.068  1926.92   96.853  1937.84  137.667  1916.22  136.284  992.834   35.532  987.312   35.372 5.521912 50.13680 
1 1 1   -3    1    5 o  1101.42   27.035  2386.75  116.131  2439.86  167.836  2337.96  160.855  1113.06   38.640  1089.78   37.824 23.28320 54.07076 
1 1 1   -3    1    6 o  378.345   16.615  280.310   24.531  282.803   34.831  277.857   34.555  380.014   23.488  376.675   23.508 3.339020 33.23067 
1 1 1   -3    1    7 f  551.932   26.325  599.877   56.680  620.466   81.394  580.492   78.976  561.129   37.170  542.735   37.289 18.39380 52.65056 
1 1 1   -3    1    8 o  532.929   18.341  556.928   38.137  544.262   53.351  570.163   54.537  526.733   25.955  539.125   25.922 -12.39172 36.68260 
1 1 1   -3    1    9 f  573.851   18.887  646.616   42.292  655.789   60.231  637.695   59.398  577.865   26.709  569.836   26.711 8.028320 37.77402 
1 1 1   -3    1   10 o  153.049   16.603   46.011   9.8981   42.623   13.941   49.455   14.055  147.333   24.248  158.765   22.686 -11.43124 33.20563 
1 1 1   -3    1   11 o  583.520   19.089  670.522   43.457  686.969   62.308  654.943   60.640  590.475   27.040  576.566   26.951 13.90961 38.17807 
1 1 1   -3    1   12 o  467.815   25.214  435.166   45.985  459.907   66.732  412.793   63.457  480.470   35.591  455.159   35.726 25.31061 50.42843 
1 1 1   -3    1   13 o  820.521   22.667  1337.94   72.566  1360.95  103.925  1316.04  101.370  827.343   32.189  813.700   31.924 13.64258 45.33458 
1 1 1   -3    1   14 o  530.047   18.488  554.225   38.226  536.549   53.206  573.082   54.954  521.317   26.153  538.777   26.137 -17.45996 36.97515 
1 1 1   -3    1   15 f  271.239   16.515  144.719   17.474  149.523   24.729  139.928   24.694  275.770   22.979  266.708   23.726 9.061646 33.02987 
1 1 1   -3    1   16 o  830.475   22.705  1363.07   73.582  1363.92  104.070  1362.22  104.050  830.736   32.102  830.213   32.116 0.5233765 45.40902 
1 1 1   -3    1   17 o  1176.42   35.317  2779.99  153.004  2761.92  263.262  2789.21  188.019  1168.14   57.751  1184.69   40.669 -16.55066 70.63390 
1 1 1   -3    1   18 o  337.134   16.849  223.080   22.166  224.491   31.223  221.646   31.474  338.223   23.656  336.046   24.001 2.177521 33.69894 
1 1 1   -3    1   19 o  788.533   31.493  1228.08   96.471  1144.19  129.128  1334.06  145.132  758.595   43.619  818.471   45.439 -59.87555 62.98664 
1 1 1   -3    1   20 o  631.395   27.984  786.349   68.773  732.052   93.345  850.820  101.714  607.728   39.359  655.063   39.789 -47.33472 55.96742 
1 1 1   -3    1   21 o  181.037   18.058   64.401   12.688   55.816   17.640   73.605   18.264  168.469   26.831  193.605   24.175 -25.13576 36.11520 
1 1 1   -3    1   22 o  1094.27   27.210  2376.82  116.187  2357.48  163.072  2396.76  165.583  1089.81   38.344  1098.72   38.619 -8.906494 54.42093 
1 1 1   -3    1   23 o  715.351   21.129  1009.55   58.981  1016.57   83.654  1002.61   83.173  717.829   29.863  712.873   29.898 4.955139 42.25708 
1 1 1   -3    1   24 o  497.158   25.861  490.182   50.140  509.530   72.492  472.437   69.426  506.527   36.674  487.789   36.472 18.73837 51.72190 
1 1 1   -3    1   25 o  498.004   18.700  488.841   36.337  482.487   50.911  495.439   51.881  494.720   26.371  501.287   26.521 -6.566864 37.40000 
1 1 1   -3    1   26 o  516.068   19.136  526.421   38.533  524.038   53.985  528.895   55.017  514.927   26.866  517.210   27.258 -2.283569 38.27223 
1 1 1   -3    1   27 o  1180.21   29.423  2821.45  135.473  2790.75  188.947  2853.93  194.341  1173.99   41.243  1186.43   41.975 -12.44189 58.84595 
1 1 1   -3    1   28 o  328.755   18.911  213.911   24.187  192.777   32.981  238.503   35.576  311.179   27.159  346.331   26.323 -35.15201 37.82253 
1 1 1   -3    1   29 o  294.879   20.346  175.335   23.148  206.447   32.918  144.898   32.558  321.578   26.231  268.180   31.110 53.39847 40.69259 
1 1 1   -3    1   30 o  154.599   26.807   51.039   16.047   52.038   22.945   50.083   22.450  156.057   38.026  153.142   37.795 2.915039 53.61413 
1 1 1   -3    1   31 o  325.913   41.458  252.558   49.296  333.374   67.007  157.215   72.781  398.237   43.117  253.589   70.824 144.6476 82.91634 
1 1 1   -3    1   32 o  208.402   25.322   90.851   20.178   88.153   28.378   93.609   28.697  203.554   37.091  213.250   34.483 -9.696426 50.64467 
1 1 1   -3    1   33 o  638.808   22.436  840.645   55.898  870.409   78.938  810.708   79.166  650.834   31.080  626.783   32.366 24.05072 44.87248 
1 1 1   -3    1   34 o   97.558   25.643   16.017   13.609   5.0733   20.552   24.563   18.161   86.022   36.142  109.095   36.386 -23.07381 51.28534 
1 1 1   -3    1   35 o  403.416   26.721  348.458   42.036  362.191   60.899  335.961   58.095  410.807   37.988  396.025   37.591 14.78143 53.44291 
1 1 1   -3    1   36 o  269.044   24.106  153.303   25.168  171.909   35.802  135.125   35.388  286.432   32.030  251.656   36.034 34.77649 48.21216 
1 1 1   -3    1   37 o  298.768   24.760  190.777   28.667  163.882   39.786  219.818   41.342  275.327   37.030  322.210   32.879 -46.88358 49.51987 
1 1 1   -3    2    1 o  832.269   29.806  1358.83   96.534  1451.86  143.222  1281.38  130.677  858.128   42.769  806.411   41.525 51.71765 59.61119 
1 1 1   -3    2    2 o  512.326   40.658  377.689   40.453  359.651   41.513  717.293  180.125  428.567   24.822  596.084   77.435 -167.5177 81.31561 
1 1 1   -3    2    3 f  491.475   17.724  470.514   33.900  517.756   50.016  430.371   46.105  514.182   24.927  468.768   25.203 45.41382 35.44773 
1 1 1   -3    2    4 o  1047.99   26.090  2158.77  106.632  2214.57  154.219  2107.66  147.599  1060.87   37.252  1035.11   36.539 25.75842 52.18056 
1 1 1   -3    2    5 o  1039.07   25.938  2124.63  105.170  2137.26  149.673  2112.31  147.808  1042.09   36.805  1036.05   36.558 6.039185 51.87612 
1 1 1   -3    2    6 o  571.297   26.628  638.775   59.167  587.940   79.896  700.513   88.048  546.318   37.476  596.275   37.839 -49.95746 53.25599 
1 1 1   -3    2    7 o  996.624   25.253  1953.55   98.116  2018.11  142.708  1895.67  135.117  1012.11   36.132  981.140   35.290 30.96808 50.50601 
1 1 1   -3    2    8 o  926.013   24.101  1688.92   87.085  1704.17  124.219  1674.18  122.122  930.088   34.224  921.939   33.944 8.149292 48.20246 
1 1 1   -3    2    9 o  777.625   21.803  1190.17   66.151  1206.19   94.698  1174.89   92.445  782.698   31.004  772.552   30.664 10.14600 43.60611 
1 1 1   -3    2   10 o  718.001   20.921  1015.68   58.613  1026.84   83.596  1004.88   82.205  721.861   29.676  714.142   29.497 7.718994 41.84174 
1 1 1   -3    2   11 o  953.204   30.548  1814.23  106.708  1803.78  130.188  1835.61  186.270  953.253   34.997  953.154   50.078 0.9869385E-01 61.09512 
1 1 1   -3    2   12 o  300.609   19.368  167.413   21.284  210.959   39.048  149.007   25.387  326.190   30.676  275.028   23.654 51.16138 38.73645 
1 1 1   -3    2   13 o  551.155   18.745  600.238   40.312  590.180   56.543  610.636   57.489  546.459   26.515  555.852   26.503 -9.393127 37.48911 
1 1 1   -3    2   14 o  855.422   23.192  1453.45   77.414  1462.86  110.173  1444.26  108.800  858.112   32.900  852.733   32.695 5.378235 46.38318 
1 1 1   -3    2   15 o  683.511   20.509  922.380   54.704  926.516   77.561  918.285   77.168  685.033   29.013  681.989   28.995 3.044556 41.01836 
1 1 1   -3    2   16 o  497.411   18.147  486.487   35.220  476.449   49.261  496.983   50.373  492.167   25.649  502.655   25.680 -10.48856 36.29498 
1 1 1   -3    2   17 o  914.282   29.393  1687.00  100.894  1563.83  163.521  1762.71  128.208  884.372   47.381  944.192   34.795 -59.82031 58.78520 
1 1 1   -3    2   18 o  797.055   22.159  1251.99   68.924  1248.90   97.248  1255.12   97.700  796.072   31.304  798.038   31.372 -1.965393 44.31833 
1 1 1   -3    2   19 o  1012.07   36.782  2052.57  145.271  2063.86  205.834  2041.35  205.056  1014.87   51.973  1009.27   52.063 5.595093 73.56487 
1 1 1   -3    2   20 o  904.562   23.910  1615.22   84.398  1607.83  118.686  1622.79  120.040  902.504   33.699  906.619   33.929 -4.115051 47.82046 
1 1 1   -3    2   21 o  246.814   17.534  119.549   16.874  116.946   23.287  122.425   24.483  244.012   24.455  249.616   25.134 -5.603973 35.06847 
1 1 1   -3    2   22 o  320.694   17.545  202.518   21.913  213.775   30.690  190.810   31.299  329.892   23.839  311.496   25.748 18.39609 35.08973 
1 1 1   -3    2   23 o  859.083   23.356  1458.66   78.271  1499.24  112.563  1420.68  108.911  870.606   33.132  847.560   32.928 23.04541 46.71169 
1 1 1   -3    2   24 o  540.794   26.606  581.001   56.123  595.304   80.889  567.725   77.933  547.138   37.884  534.450   37.366 12.68750 53.21156 
1 1 1   -3    2   25 o  1068.35   27.021  2274.76  112.593  2237.60  156.209  2314.95  162.434  1059.54   37.780  1077.17   38.642 -17.63245 54.04169 
1 1 1   -3    2   26 o  545.964   19.570  589.526   41.679  583.171   57.986  596.318   59.948  543.005   27.365  548.922   27.986 -5.917053 39.14096 
1 1 1   -3    2   27 o  339.807   18.916  229.022   25.057  230.622   34.718  227.282   36.201  341.181   26.076  338.432   27.411 2.748505 37.83254 
1 1 1   -3    2   28 o  494.672   19.559  487.973   37.732  505.014   53.172  470.688   53.552  503.601   27.056  485.743   28.251 17.85764 39.11743 
1 1 1   -3    2   29 o  160.053   24.721   53.329   14.995   62.991   22.341   45.407   20.229  173.511   34.210  146.596   35.695 26.91492 49.44133 
1 1 1   -3    2   30 o  433.610   25.144  390.710   40.136  365.643   67.781  404.246   49.807  419.084   41.445  448.137   28.480 -29.05304 50.28744 
1 1 1   -3    2   31 f  146.411   39.592   31.387   20.309   29.111   21.242   55.616   69.309  119.737   39.324  173.085   68.729 -53.34824 79.18337 
1 1 1   -3    2   32 o  383.785   22.275  304.224   32.897  333.119   44.576  269.663   48.752  405.748   28.152  361.822   34.527 43.92624 44.54985 
1 1 1   -3    2   33 o  245.194   23.331  124.341   22.299  116.643   31.123  132.463   31.966  237.126   33.633  253.262   32.343 -16.13504 46.66119 
1 1 1   -3    2   34 o  183.744   27.450   74.477   19.413   60.207   28.021   87.647   26.919  162.987   43.315  204.502   33.731 -41.51483 54.89999 
1 1 1   -3    2   35 o  478.848   38.549  493.560   72.035   0.0000   0.0000  493.560   72.035  ?   ?   478.848   38.549      ?      ? 
1 1 1   -3    2   36 o  124.092   28.492   32.453   15.441   39.634   25.124   28.095   19.574  133.329   42.688  114.855   37.749 18.47366 56.98468 
1 1 1   -3    3    1 o  1005.75   80.708  2075.16  182.853  2064.23  192.148  2180.04  595.113  1021.57   48.199  989.927  154.051 31.64636 161.4151 
1 1 1   -3    3    2 o  505.682   22.821  501.512   45.010  521.865   64.895  482.646   62.480  515.559   32.255  495.805   32.292 19.75391 45.64197 
1 1 1   -3    3    3 f  316.527   21.898  196.623   27.043  202.353   38.436  191.007   38.055  321.111   30.673  311.944   31.261 9.167206 43.79569 
1 1 1   -3    3    4 o  1513.77   40.793  4610.94  237.840  4924.55  319.149  4219.22  356.686  1575.22   51.918  1452.33   62.935 122.8966 81.58600 
1 1 1   -3    3    5 o  1022.80   36.566  2072.96  145.716  2160.06  213.530  1997.05  199.348  1042.59   52.482  1003.01   50.930 39.58270 73.13215 
1 1 1   -3    3    6 o  233.681   19.486  106.124   16.637  104.313   20.163  109.987   29.449  230.802   22.387  236.559   31.901 -5.756973 38.97196 
1 1 1   -3    3    7 o  682.982   20.320  915.488   54.139  939.132   77.802  893.290   75.384  691.511   28.831  674.452   28.642 17.05975 40.63943 
1 1 1   -3    3    8 o  836.627   22.656  1377.98   73.966  1368.67  104.031  1387.50  105.185  833.786   31.972  839.468   32.108 -5.682190 45.31205 
1 1 1   -3    3    9 o  472.092   21.654  439.824   37.720  436.392   64.760  441.586   46.404  469.964   35.311  474.220   25.075 -4.255646 43.30861 
1 1 1   -3    3   10 o  216.354   16.025   91.905   13.530   91.236   19.082   92.580   19.187  215.562   22.684  217.146   22.642 -1.584259 32.05042 
1 1 1   -3    3   11 o  677.159   29.093  911.971   76.620  842.932  103.368  996.160  114.147  649.038   40.812  705.280   41.474 -56.24213 58.18647 
1 1 1   -3    3   12 o  399.395   17.149  314.251   26.707  332.858   38.320  296.677   37.242  410.942   23.895  387.848   24.606 23.09460 34.29890 
1 1 1   -3    3   13 o  121.616   18.543   30.312   8.5441   28.389   11.999   32.290   12.169  117.569   26.756  125.663   25.682 -8.094093 37.08670 
1 1 1   -3    3   14 o  231.550   16.588  105.586   14.979  110.174   21.200  101.011   21.167  236.619   22.959  226.482   23.950 10.13757 33.17696 
1 1 1   -3    3   15 o   99.101   19.477   19.896   7.8180   18.210   10.965   21.640   11.150   95.224   27.785  102.978   27.303 -7.754028 38.95470 
1 1 1   -3    3   16 o  571.718   19.053  643.275   42.507  641.568   59.855  645.013   60.378  570.968   26.863  572.468   27.027 -1.500916 38.10604 
1 1 1   -3    3   17 o  474.578   18.030  442.545   33.390  448.658   47.296  436.470   47.146  477.863   25.363  471.292   25.635 6.570343 36.06090 
1 1 1   -3    3   18 o  922.879   29.681  1711.09  102.650  1617.26  168.078  1766.90  129.634  900.044   47.854  945.714   35.126 -45.67029 59.36168 
1 1 1   -3    3   19 o  1054.95   32.845  2203.26  125.864  2177.14  152.064  2260.09  224.291  1049.10   37.143  1060.79   54.181 -11.68884 65.69028 
1 1 1   -3    3   20 o  894.946   23.774  1579.75   82.977  1544.01  114.877  1618.74  119.983  884.476   33.282  905.417   33.958 -20.94080 47.54832 
1 1 1   -3    3   21 o  445.698   18.192  390.027   31.599  382.299   43.410  398.738   46.087  441.071   25.220  450.325   26.225 -9.253632 36.38441 
1 1 1   -3    3   22 o  855.945   23.294  1447.06   77.763  1419.57  107.774  1476.92  112.314  847.591   32.583  864.299   33.300 -16.70813 46.58894 
1 1 1   -3    3   23 o  544.656   23.107  602.972   47.149  657.273   60.602  519.695   75.049  577.766   26.879  511.547   37.595 66.21906 46.21481 
1 1 1   -3    3   24 o  629.299   29.080  781.572   71.413   0.0000   0.0000  781.572   71.413  ?   ?   629.299   29.080      ?      ? 
1 1 1   -3    3   25 o  582.118   19.993  669.665   45.393  690.943   64.005  648.131   64.388  591.562   27.726  572.673   28.812 18.88904 39.98529 
1 1 1   -3    3   26 o  679.511   21.269  912.635   56.235  871.130   76.085  962.605   83.484  662.800   29.416  696.222   30.727 -33.42249 42.53795 
1 1 1   -3    3   27 o  423.431   19.421  357.240   31.972  378.431   44.307  334.219   46.180  436.963   25.984  409.900   28.870 27.06354 38.84103 
1 1 1   -3    3   28 f  546.922   20.081  590.167   42.560  539.091   56.266  658.466   65.065  519.883   27.734  573.962   29.049 -54.07941 40.16230 
1 1 1   -3    3   29 o  568.321   20.895  648.891   46.206  642.597   62.863  656.288   68.147  565.933   28.464  570.710   30.599 -4.777588 41.79091 
1 1 1   -3    3   30 o  720.039   32.848  1054.70   92.298   0.0000   0.0000  1054.70   92.298  ?   ?   720.039   32.848      ?      ? 
1 1 1   -3    3   31 o  238.816   43.369  115.541   27.635  111.624   29.059  152.607   89.389  234.229   31.791  243.404   80.703 -9.175400 86.73872 
1 1 1   -3    3   32 o  343.148   21.669  238.627   28.892  225.755   38.739  254.760   43.370  333.184   29.794  353.113   31.473 -19.92877 43.33892 
1 1 1   -3    3   33 o  334.922   21.489  230.663   27.866  267.296   39.982  196.056   38.860  361.927   28.308  307.917   32.340 54.01068 42.97886 
1 1 1   -3    3   34 o  306.038   22.552  194.687   26.909  184.416   37.273  205.869   38.890  297.491   32.106  314.584   31.679 -17.09225 45.10368 
1 1 1   -3    3   35 o   87.780   25.571   8.5864   13.413  -0.8834   25.794   12.096   15.703   88.679   38.890   86.881   33.214 1.798126 51.14280 
1 1 1   -3    3   36 o  482.028   22.213  486.450   41.721  512.685   58.811  459.873   59.195  496.178   30.373  467.878   32.420 28.30014 44.42548 
1 1 1   -3    3   37 o  355.805   24.268  270.266   33.676  266.613   46.723  274.216   48.581  353.724   33.848  357.887   34.785 -4.163055 48.53545 
1 1 1   -3    4    1 o  1098.28  124.443  2807.31  533.245  2882.54  761.011  2734.74  747.417  1113.61  175.116  1082.95  176.857 30.66162 248.8858 
1 1 1   -3    4    2 o  680.182   83.159  992.403  216.433  1002.85  306.941  982.075  305.230  689.041  114.151  671.322  120.960 17.71930 166.3179 
1 1 1   -3    4    3 o  270.622   40.191  144.495   29.603  143.125   31.786  153.450   81.281  270.038   30.163  271.205   74.508 -1.167480 80.38240 
1 1 1   -3    4    4 o  585.890   38.208  676.431   87.358   0.0000   0.0000  676.431   87.358  ?   ?   585.890   38.208      ?      ? 
1 1 1   -3    4    5 o  597.772   25.161  698.534   58.478  767.540   87.308  642.389   78.753  624.317   35.836  571.228   35.329 53.08875 50.32208 
1 1 1   -3    4    6 o  363.562   19.714  268.667   26.864  303.944   35.046  218.412   41.830  393.888   22.800  333.236   32.166 60.65134 39.42728 
1 1 1   -3    4    7 o  605.682   22.384  738.581   51.614  831.961   68.932  619.417   77.869  650.946   27.136  560.418   35.606 90.52802 44.76738 
1 1 1   -3    4    8 o  504.495   22.494  511.643   41.951  535.998   52.345  467.911   70.142  522.468   25.673  486.521   36.944 35.94742 44.98851 
1 1 1   -3    4    9 o  642.663   19.866  810.431   49.740  863.233   72.884  764.399   68.051  662.170   28.205  623.155   27.984 39.01550 39.73193 
1 1 1   -3    4   10 o  554.370   26.608  608.501   57.419  656.054   84.886  568.390   77.960  574.167   37.885  534.572   37.371 39.59515 53.21500 
1 1 1   -3    4   11 f  654.151   24.802  845.564   59.251  870.804  104.646  833.654   71.883  659.005   40.692  649.298   28.369 9.706543 49.60471 
1 1 1   -3    4   12 o  706.201   20.866  988.612   57.503  991.020   81.439  986.218   81.204  707.056   29.515  705.346   29.501 1.710022 41.73126 
1 1 1   -3    4   13 o  369.526   17.016  269.148   24.537  270.705   34.603  267.574   34.797  370.622   23.925  368.429   24.202 2.192657 34.03195 
1 1 1   -3    4   14 o  419.596   17.442  346.636   28.559  345.518   40.165  347.779   40.617  418.927   24.569  420.266   24.766 -1.338409 34.88479 
1 1 1   -3    4   15 o  185.900   17.467   67.886   12.663   64.571   17.608   71.437   18.225  181.193   24.902  190.607   24.501 -9.414566 34.93469 
1 1 1   -3    4   16 o  561.884   23.624  619.343   48.204  611.483   58.185  636.544   86.070  557.521   26.743  566.246   38.951 -8.724792 47.24800 
1 1 1   -3    4   17 o  790.339   22.138  1230.87   68.261  1209.74   95.243  1253.19   97.883  783.408   31.154  797.271   31.461 -13.86310 44.27574 
1 1 1   -3    4   18 f  782.863   31.552  1211.95   95.954  1142.76  128.483  1299.22  144.287  758.162   43.426  807.565   45.784 -49.40271 63.10354 
1 1 1   -3    4   19 o  575.603   27.974  653.844   62.622  624.596   84.473  689.528   93.306  561.600   38.544  589.606   40.552 -28.00574 55.94789 
1 1 1   -3    4   20 o  560.062   19.169  616.942   41.885  628.734   59.034  604.989   59.437  565.510   26.751  554.615   27.462 10.89417 38.33750 
1 1 1   -3    4   21 o  327.227   17.871  209.292   22.740  197.214   30.630  224.127   33.945  316.812   24.775  337.642   25.763 -20.83002 35.74202 
1 1 1   -3    4   22 o  709.802   21.258  993.964   58.875  1009.90   83.110  977.906   83.415  715.592   29.762  704.012   30.362 11.58051 42.51603 
1 1 1   -3    4   23 o  1104.38   34.298  2387.36  134.789  2298.73  159.365  2610.11  252.642  1075.55   37.969  1133.20   57.130 -57.65430 68.59684 
1 1 1   -3    4   24 o  757.891   31.992  1136.72   94.620   0.0000   0.0000  1136.72   94.620  ?   ?   757.891   31.992      ?      ? 
1 1 1   -3    4   25 o  533.019   19.574  560.923   40.619  614.484   58.261  510.263   56.661  557.981   26.756  508.058   28.578 49.92291 39.14875 
1 1 1   -3    4   26 o  345.584   19.188  233.568   25.697  212.995   33.976  261.061   39.278  328.127   26.534  363.041   27.724 -34.91376 38.37587 
1 1 1   -3    4   27 o  537.687   20.204  573.576   42.207  557.376   56.758  593.617   63.129  529.620   27.462  545.754   29.642 -16.13379 40.40786 
1 1 1   -3    4   28 o  838.335   24.002  1419.16   78.507  1449.04  110.918  1389.17  111.135  847.515   33.537  829.156   34.347 18.35913 48.00421 
1 1 1   -3    4   29 o  622.756   21.585  782.471   52.374  835.937   74.362  729.846   73.776  644.501   29.566  601.011   31.456 43.48975 43.16982 
1 1 1   -3    4   30 o  154.440   30.321   53.848   18.656   38.509   33.800   60.568   22.372  139.595   49.508  169.286   35.020 -29.69122 60.64217 
1 1 1   -3    4   31 o  211.324   45.181   85.515   25.783   82.131   26.776  128.628   95.578  197.074   36.149  225.576   82.817 -28.50198 90.36292 
1 1 1   -3    4   32 o  273.200   22.401  151.863   23.774  133.320   32.395  173.509   35.000  254.868   32.570  291.532   30.765 -36.66357 44.80296 
1 1 1   -3    4   33 o  217.226   24.556   98.981   20.175  118.051   29.778   82.799   27.431  238.899   31.941  195.552   37.307 43.34773 49.11245 
1 1 1   -3    4   34 o  406.645   23.548  338.687   36.529  310.929   46.285  384.529   59.482  387.224   30.630  426.066   35.775 -38.84143 47.09613 
1 1 1   -3    4   35 o  216.968   30.769  107.668   24.468   97.101   40.565  113.710   30.676  201.635   51.399  232.301   33.839 -30.66583 61.53809 
1 1 1   -3    4   36 o  264.401   37.058  228.221   38.799  292.787   44.897   37.799   77.103  374.551   30.717  154.250   67.452 220.3017 74.11642 
1 1 1   -3    5    1 o  234.844   69.910  112.913   68.832  112.913   68.832   0.0000   0.0000  234.844   69.910  ?   ?       ?      ? 
1 1 1   -3    5    2 f  252.796   72.716  132.407   75.582  132.407   75.582   0.0000   0.0000  252.796   72.716  ?   ?       ?      ? 
1 1 1   -3    5    3 o  215.409   47.030   93.466   43.554   87.249   61.368   99.775   61.825  209.568   66.677  221.249   66.345 -11.68060 94.06092 
1 1 1   -3    5    4 o  571.305   56.774  650.829   75.369  644.044   79.721  707.934  231.285  571.806   35.727  570.805  107.782 1.001770 113.5488 
1 1 1   -3    5    5 o  990.185   88.979  2184.06  191.838  2193.09  202.551  2105.41  597.781  1050.05   49.430  930.317  170.956 119.7366 177.9589 
1 1 1   -3    5    6 o  1221.86   39.285  2985.73  187.110  3086.34  272.531  2896.01  257.349  1240.89   56.280  1202.83   54.826 38.05615 78.57037 
1 1 1   -3    5    7 o  632.471   26.221  790.601   64.709  805.356   92.323  776.354   90.722  638.273   37.066  626.668   37.098 11.60498 52.44132 
1 1 1   -3    5    8 o  949.918   29.020  1801.58  106.409  2126.91  151.837  1487.58  149.168  1036.00   37.557  863.838   44.250 172.1595 58.03934 
1 1 1   -3    5    9 o  756.595   73.390  1272.72  130.712  1272.64  139.380  1273.35  376.536  797.182   44.803  716.009  139.775 81.17285 146.7797 
1 1 1   -3    5   10 o  475.994   34.335  450.409   63.778   0.0000   0.0000  450.409   63.778  ?   ?   475.994   34.335      ?      ? 
1 1 1   -3    5   11 o  613.511   23.177  755.913   53.656  779.345   68.378  718.364   86.558  627.604   27.919  599.418   37.004 28.18616 46.35434 
1 1 1   -3    5   12 o  499.992   18.221  493.672   35.551  496.454   50.252  490.885   50.303  501.423   25.681  498.562   25.855 2.860443 36.44172 
1 1 1   -3    5   13 o  309.587   16.517  188.550   19.948  183.122   27.810  194.302   28.629  305.000   23.365  314.175   23.351 -9.174500 33.03362 
1 1 1   -3    5   14 o  499.026   18.166  489.458   35.341  519.457   51.125  462.005   48.908  513.677   25.504  484.375   25.874 29.30106 36.33102 
1 1 1   -3    5   15 o  191.745   17.380   72.935   12.847   85.125   18.058   60.441   18.281  208.248   22.220  175.243   26.732 33.00455 34.76095 
1 1 1   -3    5   16 o  1153.40   34.752  2688.20  149.098  2747.12  186.126  2582.67  249.081  1175.96   40.559  1130.85   56.442 45.11633 69.50356 
1 1 1   -3    5   17 o  474.515   22.093  447.991   39.059  428.911   65.080  458.733   48.832  465.808   35.802  483.222   25.895 -17.41357 44.18539 
1 1 1   -3    5   18 f  1009.76   36.858  2043.25  145.201  2034.91  202.948  2052.00  207.831  1007.91   51.598  1011.60   52.647 -3.684387 73.71543 
1 1 1   -3    5   19 o  223.565   23.302   97.045   19.535  104.186   32.995   93.192   24.240  229.490   36.843  217.640   28.540 11.84993 46.60426 
1 1 1   -3    5   20 o  620.218   20.060  756.279   48.512  800.490   69.822  715.018   67.452  637.781   28.054  602.655   28.681 35.12616 40.11977 
1 1 1   -3    5   21 o  1224.42   36.016  3057.14  166.686  3212.57  214.402  2819.64  265.024  1269.34   43.283  1179.51   57.577 89.83044 72.03187 
1 1 1   -3    5   22 o  471.241   22.241  456.549   39.194  537.286   51.916  349.550   59.766  522.661   25.454  419.820   36.481 102.8419 44.48290 
1 1 1   -3    5   23 o  937.123   35.636  1741.92  130.323   0.0000   0.0000  1741.92  130.323  ?   ?   937.123   35.636      ?      ? 
1 1 1   -3    5   24 o  571.941   20.391  641.453   45.187  610.792   59.858  682.076   68.900  556.454   27.565  587.428   30.056 -30.97388 40.78250 
1 1 1   -3    5   25 o  793.303   33.508  1251.34  103.732   0.0000   0.0000  1251.34  103.732  ?   ?   793.303   33.508      ?      ? 
1 1 1   -3    5   26 o  812.365   34.345  1319.44  108.880   0.0000   0.0000  1319.44  108.880  ?   ?   812.365   34.345      ?      ? 
1 1 1   -3    5   27 o  355.789   19.833  253.754   27.272  267.697   36.789  236.745   40.633  367.290   25.667  344.289   30.243 23.00192 39.66692 
1 1 1   -3    5   28 o  278.327   20.554  154.678   22.252  149.118   30.073  161.406   33.079  273.025   28.226  283.629   29.886 -10.60403 41.10834 
1 1 1   -3    5   29 o  309.514   24.633  194.211   29.150  201.095   46.375  189.714   37.480  312.756   37.997  306.273   31.358 6.483185 49.26576 
1 1 1   -3    5   30 o  225.414   48.515   65.433   23.632   57.883   24.194  222.045  110.194  164.346   38.414  286.482   89.103 -122.1357 97.03039 
1 1 1   -3    5   31 o  335.327   21.423  230.018   27.792  251.515   38.259  206.000   40.440  353.088   27.766  317.565   32.632 35.52219 42.84658 
1 1 1   -3    5   32 o  276.134   22.521  156.523   24.234  158.164   33.521  154.726   35.076  278.051   30.893  274.217   32.778 3.834351 45.04241 
1 1 1   -3    5   33 o  316.116   22.675  208.531   27.754  225.430   38.170  189.573   40.429  331.211   29.532  301.020   34.416 30.19119 45.34956 
1 1 1   -3    5   34 o  286.012   23.505  172.441   25.906  203.018   36.809  142.433   36.466  313.055   30.131  258.970   36.083 54.08511 47.00912 
1 1 1   -3    5   35 o  363.034   27.891  293.543   37.812  241.529   58.689  330.457   49.441  328.471   45.786  397.597   31.865 -69.12524 55.78285 
1 1 1   -3    5   36 o  296.757   24.086  186.944   27.803  184.553   40.766  189.023   38.017  293.928   35.541  299.586   32.518 -5.658142 48.17246 
1 1 1   -3    6    1 o  552.882   75.861  665.208  157.764  680.182  224.227  650.528  222.014  559.544  106.580  546.219  107.983 13.32532 151.7223 
1 1 1   -3    6    2 o  591.027   79.142  765.505  175.836  789.072  250.460  742.601  246.917  600.769  110.917  581.285  112.920 19.48389 158.2832 
1 1 1   -3    6    3 o  783.470   95.182  1383.04  285.304  1406.59  405.482  1359.95  401.508  796.384  130.472  770.556  138.621 25.82721 190.3645 
1 1 1   -3    6    4 o  359.441   61.212  277.840   84.844  281.799  120.232  273.913  119.744  362.080   86.311  356.803   86.823 5.277100 122.4249 
1 1 1   -3    6    5 o  697.142   65.854  1026.61  104.611  1025.68  110.754  1034.27  318.534  719.960   39.420  674.323  125.671 45.63654 131.7089 
1 1 1   -3    6    6 o  213.691   32.849  113.159   22.452  127.636   25.042   53.839   50.691  254.961   25.169  172.422   60.685 82.53900 65.69780 
1 1 1   -3    6    7 f  411.037   48.481  356.786   49.998  358.396   53.616  346.053  138.452  426.083   32.246  395.991   91.442 30.09204 96.96136 
1 1 1   -3    6    8 o  602.932  120.340  861.019  273.226   0.0000   0.0000  861.019  273.226  ?   ?   602.932  120.340      ?      ? 
1 1 1   -3    6    9 o  350.273   22.881  243.216   31.226  262.388   44.747  225.017   43.597  363.868   31.513  336.678   33.182 27.18976 45.76170 
1 1 1   -3    6   10 f  425.747   20.436  371.546   32.627  422.544   42.726  300.201   50.535  463.064   23.644  388.430   33.339 74.63376 40.87166 
1 1 1   -3    6   11 o  401.673   20.399  327.892   30.713  355.166   39.418  285.752   48.997  424.449   23.798  378.898   33.137 45.55090 40.79713 
1 1 1   -3    6   12 o  579.166   22.748  678.678   49.795  726.172   64.387  608.000   78.545  606.277   27.214  552.055   36.459 54.22150 45.49604 
1 1 1   -3    6   13 o  425.892   20.756  364.963   33.007  383.435   41.706  333.996   53.999  441.424   24.211  410.361   33.720 31.06293 41.51169 
1 1 1   -3    6   14 o  383.151   20.347  299.991   28.882  330.073   36.746  251.367   46.717  409.924   22.970  356.379   33.592 53.54465 40.69455 
1 1 1   -3    6   15 o  602.122   24.297  722.753   53.672  734.485   65.879  699.595   92.558  610.868   27.636  593.376   39.972 17.49139 48.59481 
1 1 1   -3    6   16 o  924.506   34.725  1710.25  125.272  1716.22  176.283  1704.16  178.054  926.295   48.767  922.716   49.448 3.578430 69.45060 
1 1 1   -3    6   17 o  143.711   27.173   49.872   15.538   60.112   17.017  -1.4715   38.103  174.977   24.921  112.445   48.295 62.53135 54.34568 
1 1 1   -3    6   18 o  998.315   31.445  2001.11  117.985  1913.12  192.482  2054.08  149.328  977.791   50.444  1018.84   37.558 -41.04828 62.89066 
1 1 1   -3    6   19 o  860.857   33.473  1462.95  112.449   0.0000   0.0000  1462.95  112.449  ?   ?   860.857   33.473      ?      ? 
1 1 1   -3    6   20 o  534.223   19.480  562.541   40.542  585.847   56.543  537.880   58.162  545.792   26.547  522.654   28.516 23.13696 38.96066 
1 1 1   -3    6   21 o  389.786   21.380  315.089   30.448  426.858   42.269  194.542   43.898  466.221   23.233  313.351   35.899 152.8702 42.76067 
1 1 1   -3    6   22 o  386.747   19.521  290.110   29.049  269.307   37.540  321.157   45.861  369.940   26.004  403.554   29.121 -33.61346 39.04173 
1 1 1   -3    6   23 o  996.372   38.900  1976.52  151.254   0.0000   0.0000  1976.52  151.254  ?   ?   996.372   38.900      ?      ? 
1 1 1   -3    6   24 o  556.457   20.398  612.098   44.104  687.807   63.187  540.175   61.587  590.360   27.427  522.553   30.202 67.80682 40.79675 
1 1 1   -3    6   25 o  616.368   31.047  754.304   74.678   0.0000   0.0000  754.304   74.678  ?   ?   616.368   31.047      ?      ? 
1 1 1   -3    6   26 o  945.049   37.280  1797.00  137.488   0.0000   0.0000  1797.00  137.488  ?   ?   945.049   37.280      ?      ? 
1 1 1   -3    6   27 o  395.545   21.078  304.741   31.716  279.137   39.939  348.450   52.184  374.387   27.337  416.704   32.091 -42.31732 42.15562 
1 1 1   -3    6   28 o  629.560   36.266  807.424   89.098   0.0000   0.0000  807.424   89.098  ?   ?   629.560   36.266      ?      ? 
1 1 1   -3    6   29 o  291.080   21.507  169.667   24.320  153.095   32.649  190.323   36.451  275.263   30.394  306.897   30.436 -31.63379 43.01301 
1 1 1   -3    6   30 o  842.823   34.252  1453.27  112.655  1453.27  112.655   0.0000   0.0000  842.823   34.252  ?   ?       ?      ? 
1 1 1   -3    6   31 o  269.315   21.996  147.756   23.018  165.659   33.009  130.809   32.115  285.734   29.603  252.897   32.541 32.83708 43.99173 
1 1 1   -3    6   32 o  247.062   22.456  125.179   21.547  142.591   31.281  109.459   29.722  263.907   30.374  230.217   33.083 33.68983 44.91186 
1 1 1   -3    6   33 o  253.545   23.784  134.428   23.528  135.125   33.000  133.708   33.553  254.412   33.238  252.678   34.028 1.734268 47.56755 
1 1 1   -3    6   34 f  245.854   26.120  130.802   24.242  113.011   34.463  148.227   34.106  225.796   40.605  265.913   32.867 -40.11736 52.23978 
1 1 1   -3    6   35 o  261.740   80.427  207.341   90.089   0.0000   0.0000  207.341   90.089  ?   ?   261.740   80.427      ?      ? 
1 1 1   -3    6   36 o  335.446   23.424  236.797   30.581  259.260   45.150  217.757   41.567  350.131   33.044  320.762   33.208 29.36932 46.84722 
1 1 1   -3    7    1 o  508.456   72.741  566.442  139.352  604.778  199.796  530.126  194.459  526.609  100.896  490.303  104.809 36.30518 145.4815 
1 1 1   -3    7    2 f  116.889   30.982   20.302   19.138   23.544   27.135   17.093   26.996  120.742   44.158  113.036   43.469 7.706146 61.96311 
1 1 1   -3    7    3 o  318.769   57.973  218.480   72.553  226.504  103.044  210.592  102.173  324.596   81.474  312.942   82.495 11.65427 115.9454 
1 1 1   -3    7    4 o  425.088   66.846  396.494  108.032  403.644  153.261  389.434  152.305  429.168   94.103  421.007   94.964 8.161072 133.6923 
1 1 1   -3    7    5 f  301.897   80.345  197.115   96.322   0.0000   0.0000  197.115   96.322  ?   ?   301.897   80.345      ?      ? 
1 1 1   -3    7    6 o  676.194  130.505  1094.89  331.900   0.0000   0.0000  1094.89  331.900  ?   ?   676.194  130.505      ?      ? 
1 1 1   -3    7    7 o  619.646   63.677  856.060   97.319  862.800  104.629  812.823  265.011  657.287   40.791  582.004  120.644 75.28302 127.3538 
1 1 1   -3    7    8 o  844.091   86.410  1763.17  161.504  1784.29  171.816  1602.95  473.297  939.658   46.856  748.525  166.346 191.1324 172.8194 
1 1 1   -3    7    9 f  193.036   36.731   74.460   23.384   73.066   25.722   81.097   56.128  188.305   36.320  197.767   63.856 -9.461243 73.46229 
1 1 1   -3    7   10 o  374.690   23.289  279.161   34.029  294.484   48.800  264.659   47.475  384.787   32.499  364.594   33.368 20.19220 46.57878 
1 1 1   -3    7   11 o  330.743   18.945  225.406   23.142  252.922   29.575  181.951   37.167  358.667   21.130  302.820   31.451 55.84659 37.89023 
1 1 1   -3    7   12 o  861.812   27.531  1499.21   89.957  1563.51  115.914  1401.83  142.641  887.805   33.457  835.820   43.732 51.98505 55.06227 
1 1 1   -3    7   13 o  287.062   19.438  161.447   20.596  159.531   25.248  165.260   35.608  284.978   22.703  289.147   31.557 -4.169250 38.87520 
1 1 1   -3    7   14 o  452.332   21.146  398.170   35.609  386.394   43.887  420.863   60.920  443.330   25.367  461.334   33.839 -18.00403 42.29149 
1 1 1   -3    7   15 o  752.384   29.680  1124.73   87.045  1142.54  126.527  1108.73  119.937  757.758   42.788  747.010   41.143 10.74811 59.35962 
1 1 1   -3    7   16 f  1346.78   39.479  3654.68  195.464  3662.52  239.759  3639.12  337.525  1355.99   45.309  1337.56   64.664 18.43103 78.95771 
1 1 1   -3    7   17 o  916.574   30.221  1663.57  100.534  1653.99  121.536  1684.32  178.914  915.419   34.021  917.729   49.957 -2.310608 60.44160 
1 1 1   -3    7   18 o  817.755   31.721  1331.64  101.223  1334.66  143.903  1328.68  142.411  818.605   45.047  816.905   44.673 1.699768 63.44176 
1 1 1   -3    7   19 o  987.912   30.527  1883.75  108.925  1792.19  129.886  2100.79  199.968  952.072   34.959  1023.75   50.053 -71.68115 61.05315 
1 1 1   -3    7   20 o  735.056   25.989  1091.81   71.894  1161.98   92.195  982.922  114.841  767.485   30.783  702.626   41.883 64.85895 51.97858 
1 1 1   -3    7   21 o  420.671   21.628  363.343   34.027  423.773   44.886  281.691   52.176  464.285   24.774  377.057   35.459 87.22818 43.25615 
1 1 1   -3    7   22 o  685.383   31.554  928.357   84.395   0.0000   0.0000  928.357   84.395  ?   ?   685.383   31.554      ?      ? 
1 1 1   -3    7   23 o  291.270   19.688  169.550   22.049  185.071   29.694  150.478   32.917  306.648   24.814  275.893   30.574 30.75467 39.37642 
1 1 1   -3    7   24 o  507.488   20.293  508.306   39.890  501.501   53.115  517.109   60.412  503.985   27.006  510.991   30.296 -7.006805 40.58538 
1 1 1   -3    7   25 o  1141.96   41.948  2633.42  186.939   0.0000   0.0000  2633.42  186.939  ?   ?   1141.96   41.948      ?      ? 
1 1 1   -3    7   26 o  603.653   22.007  730.022   51.450  748.007   69.191  707.779   76.947  612.943   28.927  594.364   33.175 18.57880 44.01479 
1 1 1   -3    7   27 o  195.965   23.433   78.453   17.520   73.295   24.607   83.755   24.950  187.716   34.876  204.214   31.307 -16.49864 46.86632 
1 1 1   -3    7   28 o  383.185   24.875  301.601   36.834  264.018   53.259  336.061   50.998  358.737   38.044  407.633   32.059 -48.89587 49.75046 
1 1 1   -3    7   29 o  249.689   57.361   75.195   24.660   69.538   24.950  314.400  162.242  181.177   36.550  318.202  108.744 -137.0243 114.7219 
1 1 1   -3    7   30 f  621.560   39.226  465.297   49.429  413.168   50.663  1496.34  225.318  452.322   28.702  790.798   73.013 -338.4758 78.45168 
1 1 1   -3    7   31 o  251.672   23.544  130.079   23.112  124.750   32.410  135.594   32.968  246.264   33.725  257.079   32.862 -10.81511 47.08811 
1 1 1   -3    7   32 f  686.373   27.109  989.514   69.060  974.585   85.401  1017.72  117.393  687.162   31.847  685.583   43.878 1.578247 54.21775 
1 1 1   -3    7   33 o  358.135   23.215  268.871   32.150  276.116   43.124  259.804   48.238  365.376   30.244  350.894   35.227 14.48169 46.42930 
1 1 1   -3    7   34 f  205.650   34.529  101.092   25.423   89.120   49.933  105.282   29.539  187.747   60.188  223.555   33.859 -35.80797 69.05849 
1 1 1   -3    7   35 o  249.712   26.981  137.113   25.177  112.476   36.082  160.488   35.147  223.060   43.010  276.363   32.589 -53.30313 53.96252 
1 1 1   -3    7   36 o  386.517   22.941  315.692   34.592  319.863   49.670  311.763   48.204  388.720   32.743  384.314   32.142 4.405487 45.88246 
1 1 1   -3    8    1 o  529.527  107.557  631.957  214.675   0.0000   0.0000  631.957  214.675  ?   ?   529.527  107.557      ?      ? 
1 1 1   -3    8    2 o  263.923   75.085  148.680   81.019   0.0000   0.0000  148.680   81.019  ?   ?   263.923   75.085      ?      ? 
1 1 1   -3    8    3 o  450.896   98.541  455.226  168.547   0.0000   0.0000  455.226  168.547  ?   ?   450.896   98.541      ?      ? 
1 1 1   -3    8    4 o  454.101   69.872  465.098  120.351  507.250  173.087  425.644  167.456  475.855   96.510  432.347  101.064 43.50793 139.7431 
1 1 1   -3    8    5 o  436.993   69.387  435.669  115.438  449.237  164.172  422.400  162.350  444.360   97.365  429.625   98.885 14.73462 138.7737 
1 1 1   -3    8    6 o  388.434   65.694  345.254   98.249  341.536  138.743  348.994  139.149  386.155   93.146  390.714   92.665 -4.558838 131.3886 
1 1 1   -3    8    7 o  355.073   62.964  289.089   87.112  300.662  123.945  277.793  122.458  362.528   88.405  347.618   89.679 14.91010 125.9275 
1 1 1   -3    8    8 o  280.767   40.561  173.098   32.574  176.913   35.580  153.334   80.977  298.586   30.536  262.948   75.155 35.63788 81.12135 
1 1 1   -3    8    9 o  552.664   60.615  684.596   78.489  686.832   83.592  667.939  228.149  586.226   36.540  519.102  115.593 67.12384 121.2306 
1 1 1   -3    8   10 o  660.485   67.970  977.779  101.460  976.773  107.551  985.921  305.838  698.458   39.459  622.512  130.087 75.94537 135.9398 
1 1 1   -3    8   11 o  194.630   30.250   96.065   21.181  117.132   24.473   33.174   42.283  243.824   25.720  145.436   54.760 98.38806 60.49956 
1 1 1   -3    8   12 o  319.516   41.136  271.210   38.452  312.873   43.464  121.189   82.477  398.390   27.957  240.641   77.376 157.7492 82.27220 
1 1 1   -3    8   13 o  667.048   28.098  874.200   72.558  965.122  111.511  807.437   95.554  696.370   41.034  637.726   38.396 58.64423 56.19628 
1 1 1   -3    8   14 o  647.891   27.586  825.297   69.362  902.925  105.064  765.323   92.348  674.407   39.921  621.374   38.084 53.03247 55.17294 
1 1 1   -3    8   15 o  1593.35   46.296  5078.09  262.649  4944.95  311.665  5404.35  487.890  1571.29   50.828  1615.42   77.393 -44.13086 92.59155 
1 1 1   -3    8   16 o  287.730   26.522  194.631   23.461  229.816   28.029  112.291   42.878  342.442   20.975  233.018   48.721 109.4249 53.04440 
1 1 1   -3    8   17 o  806.091   27.161  1295.81   81.490  1318.11  101.594  1255.59  136.460  817.735   31.836  794.447   44.016 23.28882 54.32269 
1 1 1   -3    8   18 o  1146.92   39.418  2646.28  176.252  2527.03  242.938  2778.79  256.099  1119.80   55.593  1174.05   55.897 -54.25159 78.83605 
1 1 1   -3    8   19 o  213.190   37.814  103.607   21.408  107.682   22.431   61.940   71.732  234.120   24.551  192.260   71.532 41.86067 75.62830 
1 1 1   -3    8   20 o  347.700   33.491  278.878   33.562  303.728   38.094  192.688   70.944  393.085   24.834  302.315   62.209 90.77078 66.98277 
1 1 1   -3    8   21 o  1033.81  248.964  3761.28  992.414   0.0000   0.0000  3761.28  992.414  ?   ?   1033.81  248.964      ?      ? 
1 1 1   -3    8   22 o  494.090   27.973  455.673   43.339  436.130   48.107  539.859   99.846  470.612   26.195  517.568   49.435 -46.95618 55.94611 
1 1 1   -3    8   23 o  507.590   30.604  512.924   48.259  510.330   53.889  523.427  108.444  508.600   27.151  506.581   54.856 2.018707 61.20752 
1 1 1   -3    8   24 o  274.348   41.591  134.414   27.358  128.538   28.686  193.527   90.977  254.770   28.853  293.925   78.017 -39.15544 83.18166 
1 1 1   -3    8   25 o  917.471   35.372  1688.72  107.755  1649.52  123.075  1817.42  223.012  907.551   34.751  927.391   61.622 -19.84003 70.74491 
1 1 1   -3    8   26 o  716.198   30.916  1026.44   86.408  1026.44   86.408   0.0000   0.0000  716.198   30.916  ?   ?       ?      ? 
1 1 1   -3    8   27 o  402.383   24.366  330.719   37.917  295.663   55.233  361.965   52.145  380.833   37.165  423.934   31.520 -43.10107 48.73116 
1 1 1   -3    8   28 o  342.401   22.017  231.170   29.050  195.657   37.786  282.493   45.426  311.052   31.129  373.750   31.145 -62.69791 44.03462 
1 1 1   -3    8   29 o  227.267   44.403  145.845   32.540  155.741   33.374 -44.8003  146.481  277.192   30.853  177.343   83.274 99.84830 88.80518 
1 1 1   -3    8   30 o  488.292   22.328  481.242   41.998  459.061   54.663  513.203   65.616  476.039   29.425  500.544   33.592 -24.50476 44.65686 
1 1 1   -3    8   31 o  259.651   23.962  138.364   24.120  118.106   32.896  161.917   35.470  238.596   35.330  280.706   32.380 -42.10977 47.92405 
1 1 1   -3    8   32 o  184.105   27.450   75.783   19.563   48.567   28.231  100.925   27.134  147.313   44.981  220.896   31.477 -73.58353 54.90047 
1 1 1   -3    8   33 o  450.474   22.150  422.689   38.884  436.681   54.265  407.924   55.744  459.054   30.292  441.893   32.326 17.16025 44.30082 
1 1 1   -3    8   34 o  306.074   56.570  226.662   65.080  226.662   65.080   0.0000   0.0000  306.074   56.570  ?   ?       ?      ? 
1 1 1   -3    8   35 o  259.839   24.584  142.198   24.671  153.120   38.191  134.377   32.319  267.138   36.635  252.539   32.794 14.59996 49.16879 
1 1 1   -3    9    1 f  870.518  102.230  1948.21  313.137  2014.56  387.721  1823.74  531.026  942.211  105.448  798.825  175.170 143.3861 204.4602 
1 1 1   -3    9    2 o  360.680   62.959  293.847   88.082  291.662  124.426  296.042  124.709  359.259   89.169  362.101   88.907 -2.842529 125.9186 
1 1 1   -3    9    3 o  228.732   48.914  111.231   47.604  126.569   67.972   96.466   66.690  242.151   68.733  215.314   69.614 26.83685 97.82836 
1 1 1   -3    9    4 o  248.375   51.987  134.280   53.963  137.335   76.453  131.247   76.179  250.938   73.411  245.812   73.631 5.125641 103.9743 
1 1 1   -3    9    5 o  170.036   41.281   56.070   33.082   57.355   46.833   54.790   46.737  171.325   58.426  168.748   58.335 2.577271 82.56238 
1 1 1   -3    9    6 o  767.059  121.693  1782.50  355.312  1793.19  503.446  1771.88  501.534  769.803  171.929  764.316  172.272 5.487427 243.3868 
1 1 1   -3    9    7 o  568.033   85.770  812.897  184.351  846.609  263.320  780.488  258.180  581.355  120.044  554.711  122.537 26.64319 171.5394 
1 1 1   -3    9    8 o  146.803   37.199   38.496   27.081   42.441   38.641   34.688   37.964  151.101   52.997  142.505   52.214 8.596466 74.39719 
1 1 1   -3    9    9 o  454.850   52.705  484.006   60.872  500.692   65.988  388.747  157.669  501.989   33.685  407.712   99.884 94.27637 105.4109 
1 1 1   -3    9   10 o  571.920   60.314  777.575   85.098  805.948   92.139  612.924  221.960  636.446   37.098  507.394  114.782 129.0524 120.6282 
1 1 1   -3    9   11 o  403.778   49.012  361.036   51.403  368.658   55.633  316.559  134.393  431.649   33.027  375.907   92.293 55.74225 98.02445 
1 1 1   -3    9   12 o  703.674   95.226  1190.69  251.959  1167.83  354.684  1213.98  357.988  695.895  135.480  711.453  133.853 -15.55707 190.4511 
1 1 1   -3    9   13 o  205.721   37.031   86.268   28.635   86.268   28.635   0.0000   0.0000  205.721   37.031  ?   ?       ?      ? 
1 1 1   -3    9   14 o  865.704   33.085  1478.77  111.771  1478.77  111.771   0.0000   0.0000  865.704   33.085  ?   ?       ?      ? 
1 1 1   -3    9   15 o  448.247   49.653  419.700   44.374  420.188   46.231  413.991  158.165  462.543   25.612  433.951   95.947 28.59235 99.30679 
1 1 1   -3    9   16 o  584.853   23.849  627.718   49.302  570.506   57.393  788.825   96.309  538.713   27.300  630.993   39.112 -92.27991 47.69770 
1 1 1   -3    9   17 o  652.031   25.150  823.929   58.931  798.929   70.240  883.369  108.304  637.231   28.246  666.833   41.620 -29.60193 50.29929 
1 1 1   -3    9   18 o  821.242   77.725  1577.93  114.195  1593.19  118.535  1380.97  425.903  897.894   33.829  744.589  151.725 153.3054 155.4508 
1 1 1   -3    9   19 o  387.920   29.097  322.997   35.417  342.214   40.393  259.090   73.662  417.275   24.806  358.565   52.643 58.71030 58.19466 
1 1 1   -3    9   20 o  169.594   39.634   57.529   31.664   75.169   38.544   20.913   55.531  189.948   50.947  149.240   60.727 40.70811 79.26791 
1 1 1   -3    9   21 o  298.473   39.056  212.715   31.388  226.257   34.299  142.938   77.855  339.041   25.924  257.904   73.684 81.13617 78.11126 
1 1 1   -3    9   22 o  360.360   36.212  275.187   34.804  279.275   37.922  253.347   87.650  376.534   25.808  344.187   67.669 32.34683 72.42323 
1 1 1   -3    9   23 f  690.515   30.688  894.452   67.729  849.344   75.611  1077.60  152.358  655.043   29.579  725.986   53.778 -70.94305 61.37595 
1 1 1   -3    9   24 o  612.869   30.932  647.031   56.153  593.381   60.876  953.116  145.406  547.023   28.517  678.714   54.899 -131.6918 61.86370 
1 1 1   -3    9   25 o  681.112   32.405  880.857   68.507  837.297   75.790  1075.39  160.162  648.018   29.970  714.207   57.465 -66.18915 64.81094 
1 1 1   -3    9   26 o  128.652   38.103   23.407   18.026   27.051   18.340 -80.2563   97.819  115.766   36.407  141.538   66.948 -25.77225 76.20689 
1 1 1   -3    9   27 o  188.904   46.100   64.271   23.429   63.884   23.969   72.566  110.959  173.982   36.470  203.827   84.680 -29.84496 92.19949 
1 1 1   -3    9   28 o  270.966   54.542  146.758   31.036  143.531   31.673  224.656  155.619  266.392   30.467  275.541  104.744 -9.149078 109.0850 
1 1 1   -3    9   29 o  150.947   44.781   29.632   21.632   29.717   22.047   27.424  112.037  121.091   40.076  180.803   80.095 -59.71228 89.56194 
1 1 1   -3    9   30 o  535.695   39.401  653.076   61.122  662.987   67.711  609.462  142.038  570.753   30.401  500.637   72.702 70.11594 78.80237 
1 1 1   -3    9   31 o  314.084   63.956  225.585   38.300  219.814   38.810  440.814  237.028  327.448   30.372  300.721  124.253 26.72702 127.9111 
1 1 1   -3    9   32 o  261.325   41.998  199.288   35.520  216.600   38.758  108.466   88.773  323.550   30.697  199.100   78.186 124.4505 83.99596 
1 1 1   -3    9   33 o  183.797   72.623   87.730   77.031   0.0000   0.0000   87.730   77.031  ?   ?   183.797   72.623      ?      ? 
1 1 1   -3    9   34 o  129.911   38.793   26.232   25.672   29.795   27.130  -4.2794   79.385  121.205   44.180  138.617   63.778 -17.41134 77.58562 
1 1 1   -3    9   35 o  110.808   37.920 -14.9712   26.833 -14.5242   28.034 -19.8566   92.672   82.101   37.822  139.515   65.737 -57.41417 75.84058 
1 1 1   -3   10    1 o  409.996   54.820  352.949   80.890  323.280   97.836  417.045  143.801  392.891   63.811  427.102   89.158 -34.21143 109.6402 
1 1 1   -3   10    2 o  245.777   51.753  132.289   53.381  125.157   75.132  139.559   75.857  239.695   73.414  251.860   72.965 -12.16527 103.5062 
1 1 1   -3   10    3 o  293.540   57.208  194.674   67.638  195.568   95.680  193.781   95.629  294.217   80.843  292.862   80.966 1.355560 114.4160 
1 1 1   -3   10    4 o  490.949   76.797  585.281  143.248  602.185  203.796  568.774  201.391  498.905  107.822  482.993  109.388 15.91275 153.5942 
1 1 1   -3   10    5 o  133.514   34.503   29.992   23.540   23.787   33.140   36.312   33.444  126.573   48.283  140.455   49.302 -13.88199 69.00658 
1 1 1   -3   10    6 o  160.164   39.617   48.198   30.552   44.849   43.113   51.577   43.302  156.721   55.879  163.607   56.174 -6.886383 79.23328 
1 1 1   -3   10    7 o  189.932   44.413   72.843   38.295   73.690   54.243   72.000   54.073  190.765   62.848  189.099   62.771 1.666061 88.82605 
1 1 1   -3   10    8 o  477.508   73.497  529.044  133.067  537.218  188.804  520.976  187.572  481.564  103.545  473.451  104.335 8.112457 146.9945 
1 1 1   -3   10    9 o  126.651   33.002   25.402   21.625   32.623   31.193   18.720   30.007  135.059   47.597  118.244   45.729 16.81487 66.00492 
1 1 1   -3   10   10 o  325.894   59.389  233.345   76.049  222.318  107.138  244.543  107.967  317.950   84.792  333.839   83.179 -15.88855 118.7787 
1 1 1   -3   10   11 o  184.514   41.777   70.370   29.382   70.370   29.382   0.0000   0.0000  184.514   41.777  ?   ?       ?      ? 
1 1 1   -3   10   12 f  350.221   30.538  241.731   41.736  241.731   41.736   0.0000   0.0000  350.221   30.538  ?   ?       ?      ? 
1 1 1   -3   10   13 o   93.777   25.914   8.4540   14.132   18.858   20.712  -0.6103   19.332  106.848   38.655   80.707   34.524 26.14149 51.82760 
1 1 1   -3   10   14 o  432.577   48.697  465.989   58.592  518.068   66.005  272.417  127.253  512.499   33.003  352.655   91.633 159.8438 97.39478 
1 1 1   -3   10   15 o  349.922   35.220  241.896   48.095  241.896   48.095   0.0000   0.0000  349.922   35.220  ?   ?       ?      ? 
1 1 1   -3   10   16 o  714.677   59.032  966.236   78.288  952.413   80.629  1193.94  327.247  695.461   29.709  733.892  114.265 -38.43042 118.0637 
1 1 1   -3   10   17 o  462.949   53.698  535.237   51.103  555.260   53.823  352.020  162.813  531.476   25.951  394.421  104.214 137.0545 107.3966 
1 1 1   -3   10   18 o  188.997   66.338   66.557   60.550   0.0000   0.0000   66.557   60.550  ?   ?   188.997   66.338      ?      ? 
1 1 1   -3   10   19 f  1535.47   72.709  4899.59  435.678   0.0000   0.0000  4899.59  435.678  ?   ?   1535.47   72.709      ?      ? 
1 1 1   -3   10   20 o  894.888   31.448  1452.81   93.610  1330.97  105.546  1901.98  202.652  820.196   32.975  969.581   53.559 -149.3846 62.89655 
1 1 1   -3   10   21 o  158.249   36.005   41.931   15.999   41.196   16.616   51.289   59.287  141.684   30.920  174.813   65.034 -33.12909 72.01006 
1 1 1   -3   10   22 o  186.932   39.955   43.129   17.367   38.503   17.877  120.729   73.222  136.601   33.735  237.263   72.440 -100.6615 79.91016 
1 1 1   -3   10   23 o  912.180   34.949  1622.68  104.511  1561.30  118.248  1841.78  223.405  884.874   34.244  939.486   60.935 -54.61163 69.89828 
1 1 1   -3   10   24 o  528.736   32.696  451.339   46.183  412.956   48.956  761.731  139.217  456.157   27.502  601.314   59.328 -145.1571 65.39216 
1 1 1   -3   10   25 o  357.182   42.711  228.883   40.870  210.548   43.725  355.705  114.998  323.205   34.667  391.159   78.072 -67.95370 85.42264 
1 1 1   -3   10   26 o  523.236   38.000  562.477   54.397  553.467   58.814  615.805  143.079  525.531   28.678  520.942   70.381 4.588379 75.99932 
1 1 1   -3   10   27 o  321.491   55.654  179.230   32.007  171.575   32.657  365.828  161.237  292.044   28.655  350.938  107.557 -58.89478 111.3083 
1 1 1   -3   10   28 o  239.981   47.675  150.726   32.273  156.089   33.101   47.539  145.206  277.598   30.556  202.365   90.322 75.23285 95.35066 
1 1 1   -3   10   29 o  469.846   66.520  514.609  121.967   0.0000   0.0000  514.609  121.967  ?   ?   469.846   66.520      ?      ? 
1 1 1   -3   10   30 o  306.070   55.543  287.945   43.553  293.520   44.414  148.286  222.299  379.379   30.000  232.761  106.958 146.6174 111.0857 
1 1 1   -3   10   31 o  296.782   46.160  237.580   38.175  244.970   41.010  189.622  104.474  344.882   30.471  248.682   87.146 96.20053 92.32003 
1 1 1   -3   10   32 o  226.124   48.362  142.180   52.969  204.592   70.470   61.121   80.310  282.440   65.249  169.808   71.400 112.6322 96.72369 
1 1 1   -3   10   33 o  163.334   44.607   51.632   47.829  107.601   60.638 -40.5224   77.809  201.009   66.460  125.659   59.517 75.35007 89.21487 
1 1 1   -3   10   34 o  374.749   47.099  420.346   50.718  465.203   57.301  258.093  108.980  471.817   31.121  277.681   88.907 194.1365 94.19705 
1 1 1   -3   10   35 o  151.677   44.474   42.532   29.985   40.513   31.456   62.614   99.214  134.578   47.757  168.777   75.040 -34.19882 88.94826 
1 1 1   -3   11    1 o  117.694   30.376   23.185   17.699   24.163   22.115   21.442   29.521  115.307   40.112  120.081   45.627 -4.774574 60.75227 
1 1 1   -3   11    2 o  372.028   54.780  311.803   74.580  332.842   92.448  272.592  126.210  401.084   59.065  342.971   92.276 58.11337 109.5605 
1 1 1   -3   11    3 o  423.413   69.279  418.070  112.216  425.767  159.173  410.465  158.227  427.704   97.529  419.122   98.420 8.582336 138.5589 
1 1 1   -3   11    4 o  555.295   82.424  748.675  172.918  771.419  246.274  726.560  242.846  564.748  115.638  545.843  117.486 18.90454 164.8489 
1 1 1   -3   11    5 o  321.477   59.254  231.081   75.161  245.598  107.090  216.988  105.516  331.684   82.951  311.271   84.636 20.41290 118.5074 
1 1 1   -3   11    6 o  498.603   75.113  577.197  141.685  605.135  202.382  550.342  198.423  511.770  104.861  485.435  107.572 26.33450 150.2255 
1 1 1   -3   11    7 o  393.983   65.442  348.560   98.914  359.860  140.602  337.487  139.181  400.773   91.864  387.194   93.229 13.57883 130.8843 
1 1 1   -3   11    8 o  356.807   87.909  282.056  121.609  282.056  121.609   0.0000   0.0000  356.807   87.909  ?   ?       ?      ? 
1 1 1   -3   11    9 o  133.393   49.336   28.509   34.021   28.509   34.021   0.0000   0.0000  133.393   49.336  ?   ?       ?      ? 
1 1 1   -3   11   10 o  359.023   88.015  282.868  122.362  282.868  122.362   0.0000   0.0000  359.023   88.015  ?   ?       ?      ? 
1 1 1   -3   11   11 f  476.940   51.452  503.567   64.448  516.819   70.219  432.737  162.335  511.330   35.190  442.549   96.701 68.78152 102.9049 
1 1 1   -3   11   12 o  954.109   90.215  2255.66  202.481  2334.57  218.353  1771.31  540.963  1079.23   51.846  828.984  172.821 250.2507 180.4300 
1 1 1   -3   11   13 o  272.361   41.099  158.154   35.613  162.812   39.975  140.237   78.408  287.043   35.687  257.678   74.047 29.36490 82.19765 
1 1 1   -3   11   14 o  533.993   54.979  652.388   76.724  679.007   83.937  517.164  189.180  585.944   36.708  482.041  103.649 103.9028 109.9570 
1 1 1   -3   11   15 o  399.117   34.561  314.702   53.829  314.702   53.829   0.0000   0.0000  399.117   34.561  ?   ?       ?      ? 
1 1 1   -3   11   16 o  678.288   65.254  1061.12  110.369  1092.08  119.564  882.718  286.997  741.140   41.340  615.437  123.788 125.7031 130.5083 
1 1 1   -3   11   17 f  365.637   47.032  333.488   55.407  396.529   65.463  174.266  104.036  447.138   37.516  284.136   86.258 163.0025 94.06365 
1 1 1   -3   11   18 o  172.486   64.669   48.043   58.848   0.0000   0.0000   48.043   58.848  ?   ?   172.486   64.669      ?      ? 
1 1 1   -3   11   19 o  885.934   72.287  1500.63  110.898  1473.64  113.746  2019.41  498.693  862.787   33.783  909.081  140.572 -46.29376 144.5744 
1 1 1   -3   11   20 o  226.752   40.546  108.183   23.010  109.630   23.993   91.597   81.223  235.945   26.058  217.559   76.791 18.38651 81.09149 
1 1 1   -3   11   21 o  710.192   70.834  1133.74   90.565  1134.38   93.838  1124.94  345.923  756.691   31.778  663.694  138.058 92.99731 141.6683 
1 1 1   -3   11   22 o  915.013   90.268  1832.05  129.786  1805.48  133.092  2346.84  585.896  951.083   35.859  878.942  176.939 72.14154 180.5364 
1 1 1   -3   11   23 o  598.077   35.099  619.666   57.011  579.180   60.811  913.603  163.853  540.033   28.856  656.121   63.994 -116.0884 70.19859 
1 1 1   -3   11   24 o  280.814   48.122  163.497   35.127  160.851   36.993  187.755  112.001  283.047   33.491  278.581   90.230 4.466400 96.24492 
1 1 1   -3   11   25 o  323.817   45.966  182.514   30.867  173.498   31.939  310.111  120.151  294.686   27.773  352.948   87.636 -58.26270 91.93195 
1 1 1   -3   11   26 o  189.709   53.046   45.665   19.861   44.603   20.014  114.592  161.184  145.139   35.605  234.280   99.940 -89.14111 106.0929 
1 1 1   -3   11   27 o  241.577   54.677  100.776   26.932   97.862   27.320  201.290  160.439  219.545   31.888  263.609  104.602 -44.06418 109.3542 
1 1 1   -3   11   28 o  134.282   42.876   22.512   17.975   25.317   18.065 -255.2476  179.788  111.810   36.240  156.755   77.718 -44.94506 85.75203 
1 1 1   -3   11   29 o  266.876   54.994  183.240   35.865  184.734   36.416  134.989  207.003  300.958   31.006  232.794  105.528 68.16379 109.9885 
1 1 1   -3   11   30 o  434.554   43.872  527.229   54.642  624.750   64.465  278.366  102.980  552.325   29.909  316.782   82.490 235.5428 87.74464 
1 1 1   -3   11   31 o  406.895   44.705  553.472   58.313  746.249   70.468  134.683  103.863  601.266   30.033  212.524   84.215 388.7418 89.41001 
1 1 1   -3   11   32 o  133.518   42.977  -1.3439   48.713   10.583   61.552 -21.3350   79.690  133.587   59.264  133.449   62.258 0.1379395 85.95458 
1 1 1   -3   11   33 o  159.753   39.528   63.967   28.378   72.794   29.823 -20.5753   92.297  178.523   43.261  140.984   66.169 37.53976 79.05564 
1 1 1   -3   11   34 o  153.557   39.094   59.559   30.041   72.278   31.495 -68.7650  100.037  175.818   45.539  131.295   63.557 44.52269 78.18805 
1 1 1   -3   12    1 o  328.633   51.123  227.149   60.748  214.140   73.987  254.063  106.420  318.076   61.834  339.189   81.430 -21.11221 102.2457 
1 1 1   -3   12    2 o  393.966   54.601  331.235   77.862  327.566   95.500  338.510  134.469  399.460   61.263  388.472   90.399 10.98846 109.2025 
1 1 1   -3   12    3 o  795.971   90.899  1374.72  282.350  1374.72  282.350   0.0000   0.0000  795.971   90.899  ?   ?       ?      ? 
1 1 1   -3   12    4 o  148.945   53.152   39.261   39.016   39.261   39.016   0.0000   0.0000  148.945   53.152  ?   ?       ?      ? 
1 1 1   -3   12    5 o  370.439   89.482  305.003  127.904  305.003  127.904   0.0000   0.0000  370.439   89.482  ?   ?       ?      ? 
1 1 1   -3   12    6 o  745.510  142.833  1369.46  400.413  1369.46  400.413   0.0000   0.0000  745.510  142.833  ?   ?       ?      ? 
1 1 1   -3   12    7 o  557.964   79.126  711.282  166.282  734.530  236.895  688.704  233.459  567.905  110.871  548.023  112.920 19.88177 158.2511 
1 1 1   -3   12    8 o  283.539   55.305  172.932   63.182  172.438   89.407  173.426   89.298  283.146   78.291  283.932   78.134 -0.7860413 110.6093 
1 1 1   -3   12    9 o  165.014   40.635   49.959   32.097   49.857   45.687   50.059   45.103  165.109   57.642  164.920   57.290 0.1885223 81.26936 
1 1 1   -3   12   10 o  188.992   44.597   69.336   38.632   64.383   55.078   74.134   54.201  184.646   63.356  193.337   62.782 -8.690384 89.19360 
1 1 1   -3   12   11 o  201.475   46.718   79.453   43.123   58.450   61.827   99.350   60.177  183.750   66.738  219.200   65.393 -35.45056 93.43542 
1 1 1   -3   12   12 o  341.053   43.525  265.512   45.441  286.173   51.691  195.233   95.333  380.673   34.796  301.433   79.793 79.23978 87.05019 
1 1 1   -3   12   13 o  152.173   31.863   44.393   22.559   73.319   31.088   12.221   32.786  188.414   43.202  115.932   46.845 72.48213 63.72542 
1 1 1   -3   12   14 o  156.300   26.364   37.847   19.670   98.006   30.725  -3.9294   25.604  222.643   35.363   89.957   39.112 132.6866 52.72885 
1 1 1   -3   12   15 o  765.441   45.883  1170.16  137.055  1170.16  137.055   0.0000   0.0000  765.441   45.883  ?   ?       ?      ? 
1 1 1   -3   12   16 o  653.006  127.114  1007.71  312.269   0.0000   0.0000  1007.71  312.269  ?   ?   653.006  127.114      ?      ? 
1 1 1   -3   12   17 o  619.990   61.160  770.567   94.544  752.051  100.927  903.200  270.127  614.179   42.110  625.800  114.844 -11.62183 122.3204 
1 1 1   -3   12   18 o  831.286   69.533  1377.92  104.944  1360.17  108.076  1670.99  439.103  829.037   33.406  833.534  134.993 -4.496155 139.0651 
1 1 1   -3   12   19 o  877.000   70.985  1301.95  131.580  1231.66  136.185  2288.83  510.297  784.026   44.511  969.975  134.813 -185.9486 141.9708 
1 1 1   -3   12   20 o  351.995   49.359  286.112   38.430  291.489   40.316  232.636  127.144  384.432   26.874  319.558   94.989 64.87366 98.71714 
1 1 1   -3   12   21 o  544.836   55.665  558.569   57.073  545.180   58.942  759.619  228.402  524.824   28.779  564.848  107.547 -40.02362 111.3307 
1 1 1   -3   12   22 o  252.044   49.162  120.231   30.455  118.031   31.521  151.113  118.106  243.181   33.216  260.908   92.544 -17.72646 98.32459 
1 1 1   -3   12   23 o  583.975   68.495  777.814   70.758  772.460   73.091  857.709  282.332  622.244   30.100  545.707  133.642 76.53656 136.9898 
1 1 1   -3   12   24 f  263.277   49.933  171.854   30.919  175.548   31.658   95.535  143.908  296.671   27.345  229.884   96.049 66.78650 99.86548 
1 1 1   -3   12   25 o  468.451   28.191  440.039   51.536  440.039   51.536   0.0000   0.0000  468.451   28.191  ?   ?       ?      ? 
1 1 1   -3   12   26 o  178.986   41.503   76.509   23.961   82.956   24.177 -278.6825  179.463  202.534   30.590  155.437   77.164 47.09706 83.00583 
1 1 1   -3   12   27 o  193.958   46.422   81.884   24.642   85.095   24.890 -77.0820  175.115  204.761   31.148  183.156   87.464 21.60596 92.84486 
1 1 1   -3   12   28 o  148.820   52.816   4.9318   15.764   4.4288   15.816   80.432  193.773   77.631   32.088  220.010  100.641 -142.3795 105.6326 
1 1 1   -3   12   29 o  240.751   44.103  149.884   31.822  154.647   33.562  107.495  100.126  274.643   31.315  206.859   82.459 67.78477 88.20541 
1 1 1   -3   12   30 f  287.057   41.514  283.522   43.114  330.740   47.158   43.084  106.415  400.731   30.156  173.384   77.359 227.3470 83.02895 
1 1 1   -3   12   31 o  208.069   51.957  119.622   60.833  185.395   79.803   28.389   93.988  256.263   75.012  159.876   71.912 96.38737 103.9141 
1 1 1   -3   12   32 o  182.629   46.234   57.709   24.485   52.127   25.285  141.681   98.073  151.828   41.493  213.429   82.635 -61.60098 92.46780 
1 1 1   -3   12   33 o  231.483   49.664  121.654   34.001  113.875   35.612  201.834  114.335  224.897   42.126  238.069   89.954 -13.17142 99.32885 
1 1 1   -3   13    1 o  951.237  102.916  2178.28  344.559  2124.93  418.829  2290.00  606.065  975.778  109.990  926.696  173.980 49.08142 205.8322 
1 1 1   -3   13    2 o  839.417   89.843  1621.05  266.620  1584.48  324.429  1697.14  467.952  854.809   97.257  824.026  151.090 30.78333 179.6859 
1 1 1   -3   13    3 o  546.257   64.868  663.314  126.253  705.197  157.465  587.925  211.260  585.266   68.945  507.248  109.901 78.01761 129.7365 
1 1 1   -3   13    4 o  515.811   63.531  582.515  117.061  602.745  144.791  544.337  198.905  541.589   68.508  490.034  107.011 51.55539 127.0620 
1 1 1   -3   13    5 o  770.190   98.551  1412.89  289.939  1513.06  418.566  1320.48  402.007  805.214  133.205  735.165  145.277 70.04950 197.1012 
1 1 1   -3   13    6 o   86.454   24.474   6.6049   12.655   11.747   18.184   1.7753   17.622   93.258   35.720   79.649   33.466 13.60859 48.94760 
1 1 1   -3   13    7 o  312.072   55.840  208.254   68.669  254.841   99.841  166.432   94.597  345.078   76.179  279.065   81.664 66.01297 111.6792 
1 1 1   -3   13    8 o  152.874   38.861   40.247   29.549   42.238   42.325   38.354   41.272  155.236   55.364  150.511   54.548 4.725525 77.72182 
1 1 1   -3   13    9 o  488.499   72.328  528.614  133.455  550.091  190.658  507.982  186.866  498.952  101.376  478.047  103.191 20.90454 144.6568 
1 1 1   -3   13   10 o  879.844  115.482  1932.29  381.888  1895.28  537.046  1970.15  543.146  870.130  164.179  889.558  162.449 -19.42798 230.9641 
1 1 1   -3   13   11 o  596.641   82.085  806.337  184.232  782.182  259.200  831.000  261.907  586.512  117.344  606.769  114.814 -20.25714 164.1706 
1 1 1   -3   13   12 o  267.551   55.399  152.312   61.769  136.874   89.275  166.491   85.554  256.030   80.294  279.073   76.348 -23.04272 110.7972 
1 1 1   -3   13   13 o  727.596   69.893  1141.78  128.090  1139.75  137.852  1154.63  346.563  755.347   46.766  699.844  131.730 55.50293 139.7855 
1 1 1   -3   13   14 o  664.286   66.624  992.874  117.986  1012.72  129.134  892.571  290.286  711.716   46.495  616.857  124.874 94.85938 133.2487 
1 1 1   -3   13   15 o  871.575   79.593  1736.53  166.915  1750.63  179.088  1643.31  460.596  933.878   49.141  809.272  151.411 124.6064 159.1864 
1 1 1   -3   13   16 o  757.740   71.523  1182.32  126.814  1158.23  134.312  1380.22  384.928  760.877   45.234  754.604  135.705 6.273560 143.0457 
1 1 1   -3   13   17 o  1034.28  101.170  2623.49  235.090  2638.65  250.454  2511.19  681.703  1139.91   56.302  928.647  194.349 211.2652 202.3400 
1 1 1   -3   13   18 o  341.572   47.957  287.862   58.879  368.229   72.732  135.042  100.294  428.920   43.453  254.225   85.506 174.6948 95.91340 
1 1 1   -3   13   19 o  938.118  232.217  3164.07  845.575   0.0000   0.0000  3164.07  845.575  ?   ?   938.118  232.217      ?      ? 
1 1 1   -3   13   20 o  614.677   60.041  733.451   69.003  718.151   71.301  959.420  274.005  601.894   30.356  627.459  116.182 -25.56500 120.0819 
1 1 1   -3   13   21 o  767.427  198.048  2129.49  597.109   0.0000   0.0000  2129.49  597.109  ?   ?   767.427  198.048      ?      ? 
1 1 1   -3   13   22 o  193.536   46.149   40.581   17.659   37.194   17.936  147.538  100.788  133.662   34.235  253.410   85.714 -119.7478 92.29784 
1 1 1   -3   13   23 o  259.065   47.953  179.618   32.622  187.045   33.555   51.603  139.313  306.140   28.087  211.990   91.701 94.15031 95.90565 
1 1 1   -3   13   24 o  365.012   27.788  266.782   39.582  266.782   39.582   0.0000   0.0000  365.012   27.788  ?   ?       ?      ? 
1 1 1   -3   13   25 o  159.623   52.602   8.2783   13.519   7.2738   13.569  143.262  157.297   77.372   30.509  241.874  100.683 -164.5019 105.2041 
1 1 1   -3   13   26 o  304.420   58.062  231.764   37.157  231.891   37.834  228.299  197.250  339.122   28.589  269.719  112.550 69.40289 116.1242 
1 1 1   -3   13   27 o  340.175   62.816  308.627   44.373  307.949   45.190  326.866  234.420  389.801   29.707  290.550  122.069 99.25113 125.6315 
1 1 1   -3   13   28 o  392.567   70.492  512.974   94.211  518.944   99.902  465.012  283.172  483.284   52.971  301.850  130.655 181.4332 140.9844 
1 1 1   -3   13   29 o  197.979   53.974   74.086   26.466   73.834   26.644   92.695  229.259  183.987   38.353  211.972  100.906 -27.98470 107.9489 
1 1 1   -3   13   30 o  276.872   64.353  249.589   72.318  243.753   75.988  305.656  235.540  310.372   64.829  243.373  111.187 66.99895 128.7063 
1 1 1   -3   13   31 o  208.642   46.085  119.147   31.293  123.342   31.686 -46.9031  199.358  242.153   33.531  175.132   85.855 67.02126 92.17068 
1 1 1   -3   13   32 o  255.437   48.887  202.611   37.655  206.954   38.449  100.708  186.225  314.800   31.298  196.075   92.630 118.7244 97.77484 
1 1 1   -3   13   33 o  214.080   49.243  114.209   31.665  113.422   32.250  135.348  167.086  229.881   35.949  198.278   91.691 31.60303 98.48631 
1 1 1   -3   14    1 o  1153.32  135.626  3654.13  550.027  3942.99  693.274  3163.45  903.563  1299.22  136.738  1007.42  234.266 291.7991 271.2522 
1 1 1   -3   14    2 o  820.860   78.831  1425.31  235.170  1322.26  281.699  1662.31  427.186  789.374   91.447  852.346  128.431 -62.97131 157.6611 
1 1 1   -3   14    3 o  805.677   85.988  1475.70  245.798  1495.85  302.796  1436.77  420.895  839.198   92.460  772.157  145.006 67.04193 171.9752 
1 1 1   -3   14    4 o  857.233   89.787  1684.83  273.462  1707.57  337.478  1641.37  466.659  893.719   96.764  820.746  151.273 72.97345 179.5743 
1 1 1   -3   14    5 o  395.587   64.502  341.904   97.682  307.499  136.172  378.377  140.202  373.842   93.562  417.333   88.815 -43.49127 129.0037 
1 1 1   -3   14    6 o  846.585  106.203  1719.03  342.920  1569.59  471.711  1886.53  499.396  797.241  157.206  895.928  142.837 -98.68707 212.4056 
1 1 1   -3   14    7 o  975.578  131.364  2510.50  481.646  2646.83  693.723  2383.63  669.236  1004.51  183.742  946.651  187.788 57.85443 262.7272 
1 1 1   -3   14    8 o  228.415   49.525  106.719   49.088   81.695   69.298  131.920   69.543  206.735   71.058  250.095   69.006 -43.36003 99.05035 
1 1 1   -3   14    9 o  565.180  111.793  718.692  237.832   0.0000   0.0000  718.692  237.832  ?   ?   565.180  111.793      ?      ? 
1 1 1   -3   14   10 o  147.708   53.608   36.786   39.883   0.0000   0.0000   36.786   39.883  ?   ?   147.708   53.608      ?      ? 
1 1 1   -3   14   11 o  363.172   88.653  289.113  124.544   0.0000   0.0000  289.113  124.544  ?   ?   363.172   88.653      ?      ? 
1 1 1   -3   14   12 o  567.382   80.534  735.225  172.064  772.218  247.602  700.677  239.282  582.103  113.074  552.661  114.704 29.44165 161.0676 
1 1 1   -3   14   13 o  493.017   75.489  552.731  141.045  529.218  200.676  575.687  198.282  480.656  109.439  505.378  104.007 -24.72211 150.9780 
1 1 1   -3   14   14 o  621.678   59.111  937.912  118.172  1331.31  157.010  423.886  179.475  814.039   49.425  429.318  107.395 384.7214 118.2227 
1 1 1   -3   14   15 o  551.970   59.989  674.938   95.111  688.247  105.825  619.018  216.920  586.093   46.269  517.847  110.697 68.24554 119.9773 
1 1 1   -3   14   16 o  482.506   55.392  509.709   81.833  520.536   92.748  471.661  173.868  509.326   46.664  455.686  100.476 53.64005 110.7834 
1 1 1   -3   14   17 f  178.528   45.154   51.618   41.231   88.516   61.522   21.534   55.552  207.772   66.830  149.283   60.741 58.48853 90.30895 
1 1 1   -3   14   18 o  307.399   49.930  218.153   61.144  283.766   79.029  120.311   96.507  373.009   54.292  241.788   83.812 131.2209 99.86055 
1 1 1   -3   14   19 o  586.435   99.050  935.924  226.680  755.867  324.565  1107.39  316.727  512.073  151.664  660.797  127.443 -148.7238 198.1006 
1 1 1   -3   14   20 o  814.577   84.243  1421.68  149.545  1365.19  156.937  1979.24  493.073  816.225   49.270  812.929  161.121 3.296204 168.4863 
1 1 1   -3   14   21 o  292.181   48.781  244.603   38.299  259.373   39.911   72.809  136.115  361.090   28.323  223.272   93.360 137.8178 97.56164 
1 1 1   -3   14   22 o  468.628   28.835  438.747   52.733  438.747   52.733   0.0000   0.0000  468.628   28.835  ?   ?       ?      ? 
1 1 1   -3   14   23 o  292.839   29.750  172.290   33.997  172.290   33.997   0.0000   0.0000  292.839   29.750  ?   ?       ?      ? 
1 1 1   -3   14   24 o  136.057   43.379   19.229   14.957   20.123   15.050 -52.4294  134.747  100.994   33.096  171.120   80.196 -70.12531 86.75725 
1 1 1   -3   14   25 o  253.043   51.691  155.248   30.337  156.964   30.843  104.217  168.220  279.124   28.315  226.961   99.429 52.16281 103.3825 
1 1 1   -3   14   26 o  672.730   96.378  1394.94  107.680  1374.06  110.294  1819.80  497.610  818.388   34.535  527.072  189.636 291.3151 192.7554 
1 1 1   -3   14   27 o  373.520   65.350  412.188   51.506  412.353   52.519  408.031  263.437  450.156   29.897  296.885  127.234 153.2705 130.6997 
1 1 1   -3   14   28 o  219.859   58.942  142.579   71.850  166.091   75.397 -89.8307  237.049  250.955   72.755  188.762   92.755 62.19292 117.8848 
1 1 1   -3   14   29 o  195.876   53.535  108.496   64.955  141.248   67.611 -283.8752  234.017  229.904   69.480  161.848   81.466 68.05548 107.0709 
1 1 1   -3   14   30 o  174.657   55.979   38.612   21.921   37.274   22.005  211.589  250.205  130.013   39.716  219.301  104.676 -89.28841 111.9572 
1 1 1   -3   14   31 f  138.044   46.300   21.313   18.822   22.343   18.889 -123.4414  223.859  105.664   37.054  170.423   84.863 -64.75923 92.60004 
1 1 1   -3   14   32 o  199.852   42.910  113.661   29.948  119.299   30.426 -61.5006  169.596  237.852   32.780  161.853   79.313 75.99944 85.81982 
1 1 1   -3   15    1 o  644.934   65.854  872.232  156.029  853.219  190.624  910.829  271.597  643.003   75.969  646.866  107.592 -3.863586 131.7087 
1 1 1   -3   15    2 o  450.958   69.601  444.008  118.827  514.727  177.490  386.563  159.966  484.446   97.264  417.471   99.584 66.97427 139.2027 
1 1 1   -3   15    3 o  983.012  188.658  2571.71  697.395   0.0000   0.0000  2571.71  697.395  ?   ?   983.012  188.658      ?      ? 
1 1 1   -3   15    4 o  752.403  138.973  1337.81  393.017   0.0000   0.0000  1337.81  393.017  ?   ?   752.403  138.973      ?      ? 
1 1 1   -3   15    5 o  604.140  116.786  827.247  265.373   0.0000   0.0000  827.247  265.373  ?   ?   604.140  116.786      ?      ? 
1 1 1   -3   15    6 o  470.475  100.380  489.991  178.679   0.0000   0.0000  489.991  178.679  ?   ?   470.475  100.380      ?      ? 
1 1 1   -3   15    7 o  517.997  106.071  599.530  207.200   0.0000   0.0000  599.530  207.200  ?   ?   517.997  106.071      ?      ? 
1 1 1   -3   15    8 o  483.694   72.398  521.143  132.389  538.984  189.184  504.022  185.328  492.319  101.831  475.068  102.940 17.25089 144.7968 
1 1 1   -3   15    9 o  365.848   62.947  293.630   89.311  257.515  125.138  331.125  127.505  341.762   91.855  389.934   86.094 -48.17212 125.8946 
1 1 1   -3   15   10 o  549.387   78.981  687.794  163.556  678.657  231.539  696.894  231.068  545.035  112.586  553.739  110.799 -8.703796 157.9622 
1 1 1   -3   15   11 o  494.259   74.889  553.727  140.085  553.354  200.149  554.084  196.133  493.382  107.032  495.136  104.775 -1.753937 149.7785 
1 1 1   -3   15   12 o  332.528   63.194  243.278   83.428  261.334  124.846  228.709  112.144  342.837   91.580  322.220   87.104 20.61688 126.3881 
1 1 1   -3   15   13 o  751.905  104.218  1416.99  294.765  1470.46  424.199  1367.06  409.889  766.144  147.232  737.665  147.543 28.47888 208.4370 
1 1 1   -3   15   14 o  422.262  106.429  411.860  175.318  411.860  175.318   0.0000   0.0000  422.262  106.429  ?   ?       ?      ? 
1 1 1   -3   15   15 o  463.692   53.837  469.006   82.899  483.356   97.532  431.655  157.353  489.238   51.085  438.146   94.784 51.09247 107.6743 
1 1 1   -3   15   16 o  671.676   71.336  957.073  125.408  934.121  135.359  1096.18  333.231  679.283   51.063  664.070  133.222 15.21271 142.6725 
1 1 1   -3   15   17 o  458.646  107.489  500.062  189.029   0.0000   0.0000  500.062  189.029  ?   ?   458.646  107.489      ?      ? 
1 1 1   -3   15   18 o  174.241   50.423   29.713   55.633   0.1923   79.904   57.489   77.505  159.053   69.124  189.429   73.428 -30.37642 100.8455 
1 1 1   -3   15   19 o  357.704   61.321  298.747   81.087  300.514   98.567  295.047  142.622  368.547   71.111  346.861   99.922 21.68610 122.6422 
1 1 1   -3   15   20 o  269.934   74.383  167.297   80.865  167.297   80.865   0.0000   0.0000  269.934   74.383  ?   ?       ?      ? 
1 1 1   -3   15   21 o  399.662   57.886  342.034   90.281  342.034   90.281   0.0000   0.0000  399.662   57.886  ?   ?       ?      ? 
1 1 1   -3   15   22 f  483.542   60.392  473.128   54.742  458.443   56.514  696.341  220.333  477.379   30.336  489.706  116.913 -12.32632 120.7844 
1 1 1   -3   15   23 o  301.008   54.041  226.796   37.692  228.599   38.832  197.426  156.712  336.785   29.547  265.231  103.966 71.55399 108.0829 
1 1 1   -3   15   24 o  180.704   52.082   32.400   16.464   30.950   16.567  147.865  147.797  121.292   33.760  240.117   98.542 -118.8247 104.1650 
1 1 1   -3   15   25 f  348.031   63.740  280.071   41.456  275.319   42.227  406.669  217.961  368.902   29.333  327.160  124.059 41.74261 127.4791 
1 1 1   -3   15   26 o  457.887   74.792  586.941   62.683  579.569   64.049  754.330  305.196  533.214   30.781  382.559  146.383 150.6551 149.5842 
1 1 1   -3   15   27 o  252.962   65.417  197.284   78.401  201.828   83.209  161.330  234.050  276.040   75.201  229.884  107.062 46.15642 130.8343 
1 1 1   -3   15   28 o  272.876  122.402  457.845  270.231   0.0000   0.0000  457.845  270.231  ?   ?   272.876  122.402      ?      ? 
1 1 1   -3   15   29 o  281.281  127.726  623.956  304.891   0.0000   0.0000  623.956  304.891  ?   ?   281.281  127.726      ?      ? 
1 1 1   -3   15   30 o  123.440   45.811   1.7757   14.656   2.0807   14.691 -61.5070  211.635   71.518   30.330  175.362   86.456 -103.8443 91.62128 
1 1 1   -3   15   31 o  141.094   70.251 -36.7840   4.9859 -36.6399   4.9885 -172.8132  153.251  ?   ?   141.094   70.251      ?      ? 
1 1 1   -3   15   32 o  245.633   34.111  128.728   32.697  128.728   32.697   0.0000   0.0000  245.633   34.111  ?   ?       ?      ? 
1 1 1   -3   16    1 f  187.931   43.419   68.123   34.888   66.307   42.168   72.064   62.114  180.773   54.924  195.088   67.261 -14.31516 86.83731 
1 1 1   -3   16    2 o  516.651   62.677  570.165  116.017  569.911  142.665  570.660  199.352  527.459   69.310  505.844  104.449 21.61496 125.3531 
1 1 1   -3   16    3 f  471.455   59.057  459.009  100.437  432.760  122.545  512.724  175.301  459.864   68.286  483.046   96.374 -23.18265 118.1143 
1 1 1   -3   16    4 o  136.321   36.278   26.105   26.139   16.709   34.228   39.254   40.488  121.981   48.342  150.661   54.105 -28.67946 72.55554 
1 1 1   -3   16    5 o  955.429  104.479  2236.67  353.086  2344.04  440.810  2044.45  589.780  1031.40  109.520  879.457  177.957 151.9426 208.9579 
1 1 1   -3   16    6 o  471.779   56.735  412.751   96.228  298.439  114.827  682.409  176.361  371.482   81.453  572.077   78.998 -200.5949 113.4692 
1 1 1   -3   16    7 o  832.962  107.836  1713.64  343.102  1591.26  474.808  1847.37  496.347  791.418  159.252  874.506  145.442 -83.08734 215.6728 
1 1 1   -3   16    8 o  923.801  122.342  2231.85  430.967  1970.26  585.645  2540.82  636.483  849.859  182.067  997.742  163.469 -147.8824 244.6851 
1 1 1   -3   16    9 o  491.432   74.776  547.827  139.110  560.793  199.871  535.644  193.734  496.877  106.293  485.987  105.203 10.89001 149.5524 
1 1 1   -3   16   10 o  457.005   72.933  474.492  127.026  449.198  181.079  499.000  178.240  442.911  106.150  471.098  100.043 -28.18686 145.8650 
1 1 1   -3   16   11 o  842.841  112.792  1824.27  362.891  1623.86  496.852  2053.43  531.289  779.115  168.332  906.567  150.176 -127.4515 225.5842 
1 1 1   -3   16   12 f  307.687   60.160  206.363   81.458   94.000  116.847  312.602  113.618  235.927   90.504  379.446   79.285 -143.5198 120.3208 
1 1 1   -3   16   13 o  394.363   69.754  353.396  106.731  364.832  158.715  343.956  144.208  398.712  101.687  390.014   95.511 8.697601 139.5082 
1 1 1   -3   16   14 o  753.076  155.392  1497.73  441.518  1497.73  441.518   0.0000   0.0000  753.076  155.392  ?   ?       ?      ? 
1 1 1   -3   16   15 o  337.797   69.000  264.384   96.216  242.663  144.281  281.779  129.118  324.344  102.134  351.251   92.805 -26.90652 138.0003 
1 1 1   -3   16   16 o  370.602   60.922  303.407   83.510  283.129  103.621  340.986  141.059  358.086   76.477  383.118   94.853 -25.03146 121.8432 
1 1 1   -3   16   17 o  639.115   65.594  863.514  163.597  863.514  163.597   0.0000   0.0000  639.115   65.594  ?   ?       ?      ? 
1 1 1   -3   16   18 o  208.357   78.427   82.763   86.715   82.763   86.715   0.0000   0.0000  208.357   78.427  ?   ?       ?      ? 
1 1 1   -3   16   19 o  210.698   78.237   90.225   85.726   90.225   85.726   0.0000   0.0000  210.698   78.237  ?   ?       ?      ? 
1 1 1   -3   16   20 o  267.679   62.605  175.258   74.769  169.546   95.035  184.538  121.129  264.442   82.829  270.916   93.898 -6.473938 125.2098 
1 1 1   -3   16   21 o  495.548   70.225  600.273  104.556  572.775  115.771  721.935  243.516  513.153   57.812  477.943  128.001 35.20956 140.4509 
1 1 1   -3   16   22 o  296.439   63.178  246.426   81.074  274.033   96.440  179.904  149.705  335.720   75.449  257.158  101.358 78.56168 126.3569 
1 1 1   -3   16   23 o  251.396   51.685  138.838   31.371  138.168   32.122  152.666  145.919  260.890   31.551  241.903   98.437 18.98711 103.3695 
1 1 1   -3   16   24 o  452.245   68.378  610.055   64.364  616.464   66.605  519.604  250.227  550.870   30.983  353.619  133.201 197.2509 136.7566 
1 1 1   -3   16   25 o  271.743   62.866  234.445   86.220  272.884   95.722   69.142  198.502  327.444   76.321  216.042   99.917 111.4019 125.7312 
1 1 1   -3   16   26 o  297.400   54.585  312.625   87.427  387.412   95.273 -86.1425  219.997  407.942   59.847  186.859   91.304 221.0827 109.1697 
1 1 1   -3   16   27 o  157.570   50.640   30.409   19.168   30.355   19.249   36.785  210.182  119.182   37.268  195.958   94.174 -76.77573 101.2799 
1 1 1   -3   16   28 o  169.725   44.505   64.306   23.867   67.273   24.049 -130.1028  194.661  175.384   36.332  164.066   81.257 11.31828 89.01017 
1 1 1   -3   16   29 o  140.776   42.852   33.737   20.364   36.623   20.464 -260.0440  206.494  128.916   38.056  152.635   76.790 -23.71947 85.70321 
1 1 1   -3   16   30 o  146.920   47.421   25.049   19.880   24.482   20.033   61.888  161.419  109.517   38.173  184.323   86.821 -74.80611 94.84270 
1 1 1   -3   16   31 o  271.302   50.878  227.323   39.603  228.811   40.654  199.672  175.284  329.750   31.593  212.855   96.728 116.8950 101.7564 
1 1 1   -3   17    1 o   59.961   21.353 -39.0830   14.541 -138.7980   43.773 -26.7152   15.416   69.161   34.865   50.761   24.661 18.40004 42.70533 
1 1 1   -3   17    2 o  416.903   58.243  379.633   87.999  398.939  108.986  343.470  149.163  442.231   63.152  391.575   97.882 50.65610 116.4860 
1 1 1   -3   17    3 o  413.555   58.724  376.874   89.055  405.913  111.848  326.579  147.196  445.639   64.315  381.471   98.273 64.16855 117.4482 
1 1 1   -3   17    4 o  424.137   51.477  348.429   79.533  292.946   95.726  472.093  142.913  372.485   68.375  475.789   76.971 -103.3032 102.9543 
1 1 1   -3   17    5 o  623.127   57.960  681.966  126.959  521.447  145.827  1184.66  258.064  500.811   74.616  745.442   88.712 -244.6311 115.9195 
1 1 1   -3   17    6 o  468.093   72.670  454.515  132.746  454.515  132.746   0.0000   0.0000  468.093   72.670  ?   ?       ?      ? 
1 1 1   -3   17    7 o  1166.06  133.320  3536.13  535.572  3190.73  632.277  4413.36  1007.64  1147.21  141.232  1184.92  226.166 -37.70544 266.6410 
1 1 1   -3   17    8 o  347.434   65.309  270.272   90.282  248.309  130.625  290.360  124.923  333.065   95.534  361.803   89.074 -28.73752 130.6174 
1 1 1   -3   17    9 o  1029.43  162.584  3427.73  635.820  3986.42  952.850  2979.28  853.673  1116.32  226.472  942.549  233.334 173.7673 325.1681 
1 1 1   -3   17   10 o  560.663   71.222  634.704  146.784  344.081  182.628  1165.03  246.702  382.708  113.863  738.619   85.589 -355.9115 142.4436 
1 1 1   -3   17   11 o  1015.40  179.003  3799.63  707.003  3665.59  988.542  3939.98  1011.56  992.146  254.181  1038.65  252.112 -46.50732 358.0059 
1 1 1   -3   17   12 o  598.406  126.255  872.006  285.563  872.006  285.563   0.0000   0.0000  598.406  126.255  ?   ?       ?      ? 
1 1 1   -3   17   13 o  608.331   89.632  909.614  206.029  771.624  283.641  1063.74  299.765  551.195  133.321  665.467  119.838 -114.2725 179.2644 
1 1 1   -3   17   14 o  267.327   94.469  152.530  122.959  152.530  122.959   0.0000   0.0000  267.327   94.469  ?   ?       ?      ? 
1 1 1   -3   17   15 o  659.723  153.532  1240.44  387.850  1240.44  387.850   0.0000   0.0000  659.723  153.532  ?   ?       ?      ? 
1 1 1   -3   17   16 o  223.233   83.645   97.608   98.421   97.608   98.421   0.0000   0.0000  223.233   83.645  ?   ?       ?      ? 
1 1 1   -3   17   17 o  297.301   71.490  219.641  102.179  158.018  152.448  269.905  137.683  266.204  103.039  328.398   99.128 -62.19305 142.9804 
1 1 1   -3   17   18 o  417.866   65.004  437.543   99.884  461.421  122.187  389.445  173.418  457.731   68.404  378.000  110.558 79.73105 130.0083 
1 1 1   -3   17   19 o  227.282   61.484  111.336   75.603   90.032   99.918  139.868  115.632  211.520   82.985  243.044   90.743 -31.52376 122.9670 
1 1 1   -3   17   20 o  161.328   50.322 -11.5019   64.128   57.026   94.545 -69.8923   87.272  189.099   78.331  133.557   63.192 55.54228 100.6430 
1 1 1   -3   17   21 o  213.581   55.433   83.944   71.280  190.018   98.227 -34.0408  103.596  270.915   84.103  156.248   72.235 114.6670 110.8657 
1 1 1   -3   17   22 o  453.841   69.431  591.744  103.988  612.163  118.129  521.445  219.184  525.640   57.588  382.042  126.357 143.5981 138.8620 
1 1 1   -3   17   23 o  238.788   64.528  154.256   83.028  170.847   95.810  104.224  166.378  254.014   83.519  223.561   98.388 30.45305 129.0564 
1 1 1   -3   17   24 f  307.659   70.823  301.700   96.209  307.124  108.606  281.928  207.358  340.564   82.574  274.755  115.087 65.80838 141.6456 
1 1 1   -3   17   25 o  208.873   46.003  112.438   28.370  116.749   28.709 -66.9253  185.165  238.540   30.841  179.206   86.682 59.33371 92.00533 
1 1 1   -3   17   26 o  221.244   55.207   94.637   27.400   92.476   27.648  213.819  205.288  210.419   33.670  232.069  105.154 -21.65024 110.4130 
1 1 1   -3   17   27 o  289.529   47.969  309.155   45.669  322.674   46.533 -45.1421  238.218  394.676   30.212  184.381   91.056 210.2952 95.93769 
1 1 1   -3   17   28 o  226.138   54.861  115.433   32.436  113.120   32.796  219.158  219.618  230.335   36.486  221.941  103.479 8.393951 109.7228 
1 1 1   -3   17   29 o  254.755   49.545  204.409   42.460  210.083   43.598   99.986  187.035  314.068   35.572  195.441   92.484 118.6263 99.08936 
1 1 1   -3   17   30 o  141.763   44.741   25.332   18.332   24.848   18.496   52.110  137.594  108.838   36.719  174.688   81.601 -65.84946 89.48203 
1 1 1   -3   18    1 o  251.687   56.045  135.577   59.757  147.553   71.438  107.671  109.048  262.660   68.855  240.713   88.448 21.94777 112.0893 
1 1 1   -3   18    2 f  608.811   73.287  825.537  158.118  824.569  193.015  827.511  275.705  626.471   78.951  591.152  123.495 35.31854 146.5749 
1 1 1   -3   18    3 o  503.330   66.715  578.416  121.235  638.345  152.766  476.460  199.256  555.130   70.518  451.529  113.274 103.6013 133.4308 
1 1 1   -3   18    4 o  997.970  156.340  3143.08  592.816  3029.66  827.312  3262.78  849.880  976.336  222.142  1019.60  220.049 -43.26813 312.6799 
1 1 1   -3   18    5 o  725.841   70.915  1064.18  186.096  920.621  219.593  1430.04  350.559  657.202   85.622  794.480  113.070 -137.2781 141.8306 
1 1 1   -3   18    6 o  373.514   78.382  302.518  110.608  302.518  110.608   0.0000   0.0000  373.514   78.382  ?   ?       ?      ? 
1 1 1   -3   18    7 o  462.455   46.099   96.543   62.133 -15.0545   64.992  1281.99  211.824  138.291   61.146  786.619   69.005 -648.3283 92.19792 
1 1 1   -3   18    8 o  909.852  112.955  1970.99  376.241  3072.51  653.439  1424.69  460.176  1095.97  152.783  723.738  166.411 372.2287 225.9098 
1 1 1   -3   18    9 o  790.830  113.240  1666.62  337.447  1578.84  471.476  1758.80  483.183  764.959  162.930  816.700  157.313 -51.74127 226.4806 
1 1 1   -3   18   10 o  656.541   68.380  377.914  121.754  163.849  128.107  2377.06  391.491  277.413   96.541  1035.67   96.866 -758.2561 136.7594 
1 1 1   -3   18   11 o  520.896  119.151  661.666  236.947  661.666  236.947   0.0000   0.0000  520.896  119.151  ?   ?       ?      ? 
1 1 1   -3   18   12 o  253.364   91.189  132.597  115.070  132.597  115.070   0.0000   0.0000  253.364   91.189  ?   ?       ?      ? 
1 1 1   -3   18   13 o  203.043   84.159   46.833  109.232   46.833  109.232   0.0000   0.0000  203.043   84.159  ?   ?       ?      ? 
1 1 1   -3   18   14 o  506.786   87.655  673.886  171.206  726.511  256.519  631.613  229.906  521.492  127.188  492.081  120.651 29.41040 175.3095 
1 1 1   -3   18   15 o  417.799   81.239  473.283  142.143  344.080  208.651  585.176  194.171  352.708  123.181  482.889  105.951 -130.1808 162.4779 
1 1 1   -3   18   16 o  225.456   62.627   86.504   69.849  147.349  146.709   68.669   79.429  257.236  100.659  193.677   74.540 63.55916 125.2535 
1 1 1   -3   18   17 o  333.733   67.700  288.038   92.460  291.196  122.562  283.868  140.854  340.365   90.653  327.100  100.575 13.26486 135.4003 
1 1 1   -3   18   18 o  345.737   70.130  317.505   97.136  298.592  121.911  350.387  160.751  340.933   90.225  350.542  107.388 -9.608185 140.2593 
1 1 1   -3   18   19 o  271.152   66.951  196.431   85.811  187.852  109.618  210.008  137.903  267.534   89.395  274.769   99.690 -7.235016 133.9013 
1 1 1   -3   18   20 o  206.785   66.129   45.168  100.635   57.915  208.848   41.313  114.847  224.633  103.389  188.938   82.479 35.69510 132.2575 
1 1 1   -3   18   21 o  163.380   52.771 -14.3436   75.073   2.0252  107.549 -29.8988  104.842  169.525   76.526  157.236   72.683 12.28966 105.5416 
1 1 1   -3   18   22 o  201.199   58.775   78.905   79.674  128.218   99.661  -8.4319  132.630  224.480   84.159  177.917   82.070 46.56331 117.5506 
1 1 1   -3   18   23 o  225.444   64.940  122.140   78.708  104.772   89.093  183.886  167.984  206.513   79.074  244.375  103.036 -37.86145 129.8808 
1 1 1   -3   18   24 o  164.133   53.679   5.1582   74.420   20.908   85.237 -45.3536  152.646  157.633   69.845  170.633   81.533 -12.99983 107.3586 
1 1 1   -3   18   25 o  215.983   45.044  131.920   30.711  137.386   31.166 -51.1248  180.346  257.699   30.991  174.266   84.589 83.43280 90.08761 
1 1 1   -3   18   26 o  289.724   61.057  200.988   36.675  195.070   37.147  429.534  230.858  306.329   31.074  273.118  118.094 33.21109 122.1142 
1 1 1   -3   18   27 o  285.821   55.792  256.924   47.570  257.582   48.498  240.223  244.341  348.211   35.690  223.431  105.722 124.7802 111.5840 
1 1 1   -3   18   28 o  133.081   43.060   22.388   18.946   23.840   19.073 -85.5557  164.467  107.970   37.269  158.193   77.638 -50.22298 86.11965 
1 1 1   -3   18   29 o  201.286   50.850  125.518   52.561  140.004   56.200   24.410  148.477  231.932   61.203  170.640   81.224 61.29211 101.7006 
1 1 1   -3   19    1 o  290.798   55.654  202.103   71.697  274.356   87.796   57.454  124.223  360.448   64.799  221.148   90.502 139.3008 111.3076 
1 1 1   -3   19    2 o  359.175   57.968  330.094   88.401  459.631  108.561   75.147  152.301  474.625   58.613  243.725  100.029 230.9001 115.9363 
1 1 1   -3   19    3 f  352.180   74.792  268.349   99.615  268.349   99.615   0.0000   0.0000  352.180   74.792  ?   ?       ?      ? 
1 1 1   -3   19    4 o  575.339   76.899  697.913  172.653  697.913  172.653   0.0000   0.0000  575.339   76.899  ?   ?       ?      ? 
1 1 1   -3   19    5 o  521.098   73.162  569.262  148.778  569.262  148.778   0.0000   0.0000  521.098   73.162  ?   ?       ?      ? 
1 1 1   -3   19    6 o  372.771   78.065  303.491  109.921  303.491  109.921   0.0000   0.0000  372.771   78.065  ?   ?       ?      ? 
1 1 1   -3   19    7 o  182.572   70.258   51.654   70.560   51.654   70.560   0.0000   0.0000  182.572   70.258  ?   ?       ?      ? 
1 1 1   -3   19    8 o  280.115   81.372  173.642   94.230  173.642   94.230   0.0000   0.0000  280.115   81.372  ?   ?       ?      ? 
1 1 1   -3   19    9 o  490.751   67.453  531.519  122.255  448.968  155.378  665.690  198.086  443.335   92.788  538.167   97.928 -94.83157 134.9055 
1 1 1   -3   19   10 o  229.450   56.029  105.273   67.833   5.8934  110.596  165.204   85.885  186.486   81.185  272.413   77.239 -85.92744 112.0579 
1 1 1   -3   19   11 o  453.496   65.148  433.027  124.734  121.311  159.710  920.512  199.726  258.116  103.710  648.876   78.875 -390.7601 130.2961 
1 1 1   -3   19   12 o  308.935  103.678  233.045  147.452  233.045  147.452   0.0000   0.0000  308.935  103.678  ?   ?       ?      ? 
1 1 1   -3   19   13 o  231.174   91.746   99.511  123.445   99.511  123.445   0.0000   0.0000  231.174   91.746  ?   ?       ?      ? 
1 1 1   -3   19   14 o  524.097   83.584  734.926  180.448  411.050  239.662  1158.86  274.194  366.357  131.628  681.836  103.049 -315.4785 167.1679 
1 1 1   -3   19   15 o  353.247  120.072  370.201  197.792  370.201  197.792   0.0000   0.0000  353.247  120.072  ?   ?       ?      ? 
1 1 1   -3   19   16 o  310.628  121.830  300.805  215.290  300.805  215.290   0.0000   0.0000  310.628  121.830  ?   ?       ?      ? 
1 1 1   -3   19   17 o  265.815  113.650  189.845  209.297  189.845  209.297   0.0000   0.0000  265.815  113.650  ?   ?       ?      ? 
1 1 1   -3   19   18 o  439.735   99.877  531.110  167.486  531.110  167.486   0.0000   0.0000  439.735   99.877  ?   ?       ?      ? 
1 1 1   -3   19   19 o  373.547   78.580  401.849  116.504  335.442  140.671  546.870  207.881  342.125   99.433  404.970  121.706 -62.84537 157.1603 
1 1 1   -3   19   20 o  377.095  127.677  527.564  223.635   0.0000   0.0000  527.564  223.635  ?   ?   377.095  127.677      ?      ? 
1 1 1   -3   19   21 o  234.801   65.087  141.605   79.028  135.187   89.833  163.576  166.206  228.590   80.750  241.013  102.101 -12.42302 130.1734 
1 1 1   -3   19   22 o  257.536   65.526  209.151   89.524  240.114  104.116  121.331  175.345  292.973   85.658  222.099   99.183 70.87389 131.0515 
1 1 1   -3   19   23 o  164.285   52.557   20.135   70.560   41.064   84.173 -29.3325  129.407  165.360   71.405  163.210   77.139 2.149765 105.1144 
1 1 1   -3   19   24 o  195.145   55.320   95.365   57.694   89.606   65.422  115.512  122.364  187.344   68.558  202.945   86.838 -15.60097 110.6391 
1 1 1   -3   19   25 o  216.917   70.371  128.566  113.624  368.256  237.026   57.052  129.470  253.480  114.090  180.354   82.411 73.12605 140.7414 
1 1 1   -3   19   26 o  181.699   48.167   58.923   22.077   57.142   22.369  125.929  137.206  161.091   36.436  202.307   89.177 -41.21591 96.33342 
1 1 1   -3   19   27 o  107.538   39.157  -0.0312   12.110   0.4666   12.159 -61.2517  134.851   63.726   27.324  151.350   73.392 -87.62387 78.31326 
1 1 1   -3   19   28 o  162.166   42.167   58.902   22.335   61.087   22.618 -26.5669  141.440  166.220   35.918  158.113   76.304 8.107224 84.33498 
1 1 1   -3   20    1 o  631.399   77.703  924.988  172.314  918.478  208.786  938.895  305.159  652.955   81.938  609.842  132.051 43.11322 155.4069 
1 1 1   -3   20    2 o  494.701   71.238  590.240  127.087  652.906  156.719  469.892  217.184  556.206   72.203  433.196  122.827 123.0101 142.4770 
1 1 1   -3   20    3 f  303.817   61.868  191.067   70.690  168.062   82.527  254.453  136.986  276.540   74.708  331.095   98.638 -54.55487 123.7361 
1 1 1   -3   20    4 o  445.302   66.749  442.225  107.704  414.081  132.345  497.418  185.335  432.745   81.355  457.859  105.845 -25.11401 133.4983 
1 1 1   -3   20    5 o  368.643   58.473  266.410   79.135  182.414   95.140  455.003  142.559  285.540   81.410  451.747   83.957 -166.2072 116.9463 
1 1 1   -3   20    6 o  492.475   58.400  376.309   95.176  215.608  106.830  994.703  209.564  307.560   85.774  677.390   79.277 -369.8292 116.7990 
1 1 1   -3   20    7 o  580.902   75.895  799.968  161.077  786.116  201.529  824.471  268.032  594.329   86.892  567.475  124.460 26.85358 151.7904 
1 1 1   -3   20    8 o  300.096   63.049  209.596   79.273  202.354  112.030  216.859  112.188  295.077   89.496  305.115   88.833 -10.03799 126.0981 
1 1 1   -3   20    9 o  573.046   62.791  282.257  104.915   88.190  110.848  1951.00  325.048  222.593   87.382  923.499   90.194 -700.9059 125.5811 
1 1 1   -3   20   10 o  500.320   67.465  495.063  125.418  245.652  149.949  1075.84  228.819  313.148  104.555  687.492   85.289 -374.3431 134.9296 
1 1 1   -3   20   11 o  550.725   68.618  499.897  132.146  211.131  149.424  1536.41  283.096  291.195  104.007  810.255   89.532 -519.0598 137.2351 
1 1 1   -3   20   12 o  653.188  190.155  1769.79  514.085  1769.79  514.085   0.0000   0.0000  653.188  190.155  ?   ?       ?      ? 
1 1 1   -3   20   13 o  494.640  142.969  812.675  291.542  812.675  291.542   0.0000   0.0000  494.640  142.969  ?   ?       ?      ? 
1 1 1   -3   20   14 o  266.730   64.035  178.901  100.097 -61.9997  174.547  296.945  122.185  192.929   90.691  340.530   90.426 -147.6005 128.0692 
1 1 1   -3   20   17 o  291.141  126.876  320.699  270.719  320.699  270.719   0.0000   0.0000  291.141  126.876  ?   ?       ?      ? 
1 1 1   -3   20   18 o  256.406   67.184  165.982   89.258  101.296  113.638  270.166  144.218  213.370   86.852  299.441  102.525 -86.07034 134.3676 
1 1 1   -3   20   19 o  275.358   65.359  165.056   73.799  107.512   84.130  357.143  153.709  210.779   77.652  339.938  105.154 -129.1589 130.7178 
1 1 1   -3   20   20 o  259.926   74.865  227.168  133.436   47.669  244.025  303.732  159.373  219.326  104.321  300.526  107.406 -81.20020 149.7296 
1 1 1   -3   20   21 o  230.411   63.516  136.589   72.794  114.677   83.013  209.510  151.436  210.091   77.175  250.730  100.901 -40.63904 127.0314 
1 1 1   -3   20   22 o  309.068   72.233  269.427   85.128  213.842   94.807  500.711  193.391  271.737   82.310  346.399  118.723 -74.66211 144.4653 
1 1 1   -3   20   23 o  175.388   57.753   28.338   95.311 -46.9687  176.588   59.294  113.218  171.940   83.516  178.836   79.793 -6.895752 115.5067 
1 1 1   -3   20   24 o  122.391   41.291 -36.9921   49.247 -23.2708   56.591 -79.8046   99.962  113.861   52.900  130.921   63.414 -17.06018 82.58188 
1 1 1   -3   20   25 o  190.313   52.380  101.301   57.863  120.722   66.219   38.594  118.991  209.738   69.457  170.887   78.425 38.85110 104.7604 
1 1 1   -3   20   26 o  273.695   56.471  266.260   71.659  291.571   79.485  156.390  165.605  339.715   62.251  207.676   94.238 132.0391 112.9422 
1 1 1   -3   20   27 o  180.054   36.782   71.842   24.971   71.842   24.971   0.0000   0.0000  180.054   36.782  ?   ?       ?      ? 
1 1 1   -3   21    1 f  724.173   93.173  1352.69  235.171  1314.06  282.742  1439.40  423.616  753.880   96.107  694.466  159.651 59.41394 186.3466 
1 1 1   -3   21    2 o  493.032   73.082  573.363  127.865  556.601  152.603  612.862  234.257  504.220   77.555  481.844  123.891 22.37589 146.1637 
1 1 1   -3   21    3 o  433.814   71.933  440.404  110.442  416.118  130.031  503.288  209.240  429.215   80.592  438.412  119.174 -9.196808 143.8663 
1 1 1   -3   21    4 o  609.527   84.495  967.023  183.986  1007.37  226.231  888.203  316.183  667.025   86.912  552.030  144.928 114.9952 168.9901 
1 1 1   -3   21    5 o  558.979   77.030  797.368  156.011  860.825  195.844  687.169  258.083  621.027   80.810  496.930  131.165 124.0974 154.0606 
1 1 1   -3   21    6 f  382.205   65.927  350.344   95.244  344.027  120.164  361.018  156.208  385.667   82.346  378.744  102.977 6.922821 131.8531 
1 1 1   -3   21    7 o  362.114   55.794  219.181   88.290   34.141  106.248  632.065  158.710  191.455   81.393  532.773   76.336 -341.3180 111.5887 
1 1 1   -3   21    8 o  518.514  135.429  796.787  277.024  796.787  277.024   0.0000   0.0000  518.514  135.429  ?   ?       ?      ? 
1 1 1   -3   21    9 o  375.626  115.932  397.118  186.952  397.118  186.952   0.0000   0.0000  375.626  115.932  ?   ?       ?      ? 
1 1 1   -3   21   10 o  209.658  100.338 -123.9074  233.142 -123.9074  233.142   0.0000   0.0000  209.658  100.338  ?   ?       ?      ? 
1 1 1   -3   21   11 o  332.678  138.327  401.795  296.435  401.795  296.435   0.0000   0.0000  332.678  138.327  ?   ?       ?      ? 
1 1 1   -3   21   12 o  417.518  163.121  848.330  384.811  848.330  384.811   0.0000   0.0000  417.518  163.121  ?   ?       ?      ? 
1 1 1   -3   21   14 o  185.620   86.607 -32.5446  154.289 -32.5446  154.289   0.0000   0.0000  185.620   86.607  ?   ?       ?      ? 
1 1 1   -3   21   15 o  268.254  112.978  221.318  201.604  221.318  201.604   0.0000   0.0000  268.254  112.978  ?   ?       ?      ? 
1 1 1   -3   21   16 o  376.310  114.968  457.083  184.389   0.0000   0.0000  457.083  184.389  ?   ?   376.310  114.968      ?      ? 
1 1 1   -3   21   17 o  251.843  114.399  181.331  244.861  181.331  244.861   0.0000   0.0000  251.843  114.399  ?   ?       ?      ? 
1 1 1   -3   21   18 o  248.552   70.323  179.872  126.398 -146.1384  250.502  291.225  146.402  194.297   95.450  302.807  103.300 -108.5104 140.6470 
1 1 1   -3   21   19 o  275.002   61.082   50.442   77.855 -76.8089   87.026  560.538  174.238  127.219   60.995  422.786  105.848 -295.5671 122.1644 
1 1 1   -3   21   20 o  202.598   65.746   80.886  116.928 -29.7686  239.704  115.438  133.945  196.014   95.675  209.182   90.202 -13.16783 131.4915 
1 1 1   -3   21   21 o  152.035   52.455 -71.6298   85.501 -45.9386  172.277 -80.0260   98.487  172.500   83.480  131.569   63.538 40.93120 104.9096 
1 1 1   -3   21   22 f  191.509   57.766   51.605   65.142   1.8243   73.967  223.691  137.524  138.650   62.940  244.369   96.883 -105.7188 115.5326 
1 1 1   -3   21   23 o  156.066   50.355   17.721   58.591   6.0188   67.093   55.314  120.256  135.207   60.793  176.924   80.292 -41.71716 100.7100 
1 1 1   -3   21   24 o  209.326   59.426  132.982   69.089  129.809   77.972  144.575  149.048  211.443   75.173  207.209   92.059 4.233398 118.8521 
1 1 1   -3   21   25 o  210.921   76.975  134.344   82.392  134.344   82.392   0.0000   0.0000  210.921   76.975  ?   ?       ?      ? 
1 1 1   -3   21   26 o  248.527   76.206  187.417   80.931  187.417   80.931   0.0000   0.0000  248.527   76.206  ?   ?       ?      ? 
1 1 1   -3   22    1 o  330.059  115.156  300.034  182.329   0.0000   0.0000  300.034  182.329  ?   ?   330.059  115.156      ?      ? 
1 1 1   -3   22    2 o  403.139  123.310  470.435  212.047   0.0000   0.0000  470.435  212.047  ?   ?   403.139  123.310      ?      ? 
1 1 1   -3   22    3 o  555.201  150.873  1012.27  335.414   0.0000   0.0000  1012.27  335.414  ?   ?   555.201  150.873      ?      ? 
1 1 1   -3   22    5 o  444.586   89.449  596.082  169.858  429.142  236.441  774.123  244.176  366.810  130.851  522.361  121.993 -155.5516 178.8981 
1 1 1   -3   22    6 o  221.152   61.634   87.178   88.320 -67.3934  152.281  165.528  108.418  182.358   85.397  259.946   88.894 -77.58733 123.2671 
1 1 1   -3   22    7 o  227.673   60.717  115.528   74.226  135.801  102.437   93.117  107.702  239.570   86.057  215.776   85.677 23.79478 121.4349 
1 1 1   -3   22    8 o  257.119   64.520  156.008   83.805   91.058  112.296  237.654  125.905  214.908   86.747  299.329   95.533 -84.42091 129.0410 
1 1 1   -3   22    9 o  468.088  102.042  590.216  181.138  590.216  181.138   0.0000   0.0000  468.088  102.042  ?   ?       ?      ? 
1 1 1   -3   22   10 o  140.398   67.339 -102.2242  106.288 -102.2242  106.288   0.0000   0.0000  140.398   67.339  ?   ?       ?      ? 
1 1 1   -3   22   11 o  206.890   88.264   72.681  125.744   72.681  125.744   0.0000   0.0000  206.890   88.264  ?   ?       ?      ? 
1 1 1   -3   22   12 o  160.208   75.517 -62.7744  122.520 -62.7744  122.520   0.0000   0.0000  160.208   75.517  ?   ?       ?      ? 
1 1 1   -3   22   13 o  191.072   85.654   28.126  132.109   28.126  132.109   0.0000   0.0000  191.072   85.654  ?   ?       ?      ? 
1 1 1   -3   22   14 o  204.388   95.550   2.6974  189.248   2.6974  189.248   0.0000   0.0000  204.388   95.550  ?   ?       ?      ? 
1 1 1   -3   22   15 o  197.919   95.513 -77.5344  221.599 -77.5344  221.599   0.0000   0.0000  197.919   95.513  ?   ?       ?      ? 
1 1 1   -3   22   16 o  324.341  142.926  630.670  352.174  630.670  352.174   0.0000   0.0000  324.341  142.926  ?   ?       ?      ? 
1 1 1   -3   22   17 o  294.620   81.004  361.754  149.477  217.819  287.479  415.086  174.993  247.005  116.200  342.236  112.889 -95.23129 162.0076 
1 1 1   -3   22   18 o  455.117  113.403  1073.93  297.015  242.423  355.992  2978.60  538.786  239.182  116.712  671.051  194.473 -431.8688 226.8067 
1 1 1   -3   22   19 o  291.403  110.507  351.871  172.951   0.0000   0.0000  351.871  172.951  ?   ?   291.403  110.507      ?      ? 
1 1 1   -3   22   20 o  166.528   82.218 -116.3162  193.767 -116.3162  193.767   0.0000   0.0000  166.528   82.218  ?   ?       ?      ? 
1 1 1   -3   22   21 o  244.895   66.434   87.580   84.579 -31.1675   95.528  518.327  181.942  140.510   66.369  349.279  115.104 -208.7682 132.8676 
1 1 1   -3   22   22 o  108.282   53.346 -116.0350   80.093 -116.0350   80.093   0.0000   0.0000  108.282   53.346  ?   ?       ?      ? 
1 1 1   -3   22   23 o  144.002   66.223   1.6163   85.439   1.6163   85.439   0.0000   0.0000  144.002   66.223  ?   ?       ?      ? 
1 1 1   -3   22   24 o  212.287   67.640  142.562   94.729  103.363  103.593  342.656  234.050  188.774   80.314  235.800  108.859 -47.02603 135.2797 
1 1 1   -3   23    1 o  294.172   68.922  222.024   82.551  215.225   92.207  249.483  185.302  296.976   78.407  291.367  113.371 5.609283 137.8434 
1 1 1   -3   23    2 o  280.892   74.827  206.741  110.459  146.916  141.615  299.687  176.515  246.441   98.121  315.342  112.999 -68.90178 149.6546 
1 1 1   -3   23    3 o  338.736   72.859  310.888   98.365  294.500  115.151  355.128  189.194  340.883   86.439  336.590  117.312 4.292389 145.7179 
1 1 1   -3   23    4 o  314.464   66.867  295.663  104.450  387.026  126.053   95.498  186.579  394.283   84.468  234.646  103.683 159.6366 133.7349 
1 1 1   -3   23    5 o  430.149   80.376  503.020  126.147  435.304  148.048  682.465  241.003  405.449   95.197  454.849  129.534 -49.40063 160.7527 
1 1 1   -3   23    6 o  225.274   60.645   69.993   75.313 -10.4578   91.165  242.906  133.651  156.190   70.486  294.358   98.708 -138.1686 121.2908 
1 1 1   -3   23    7 o  288.831   96.325  232.137  127.279  232.137  127.279   0.0000   0.0000  288.831   96.325  ?   ?       ?      ? 
1 1 1   -3   23    8 o  212.171   60.366   79.247   81.901  -4.8227  113.908  169.224  117.842  172.081   78.113  252.261   92.058 -80.18002 120.7322 
1 1 1   -3   23    9 o  256.061   96.255  180.379  130.539  180.379  130.539   0.0000   0.0000  256.061   96.255  ?   ?       ?      ? 
1 1 1   -3   23   10 o  272.544   67.066  193.506   97.264   68.249  134.100  332.547  141.286  205.656   89.464  339.431   99.938 -133.7755 134.1317 
1 1 1   -3   23   11 o  253.839   64.528  165.896   91.663   45.231  133.271  274.224  126.275  196.500   87.188  311.179   95.153 -114.6791 129.0569 
1 1 1   -3   23   12 o  266.391   56.572  123.488   87.357 -98.8317  117.710  396.056  130.336  146.900   70.565  385.882   88.444 -238.9821 113.1447 
1 1 1   -3   23   13 o  323.937  102.134  321.609  144.243  321.609  144.243   0.0000   0.0000  323.937  102.134  ?   ?       ?      ? 
1 1 1   -3   23   14 o  227.298   90.722  139.050  121.339  139.050  121.339   0.0000   0.0000  227.298   90.722  ?   ?       ?      ? 
1 1 1   -3   23   15 o  268.514   73.212  265.442  140.186 -131.9598  292.263  384.193  159.764  200.316   99.275  336.713  107.631 -136.3973 146.4234 
1 1 1   -3   23   16 o  251.750   74.929  247.833  132.213  138.718  290.532  276.332  148.479  225.089  108.804  278.411  103.048 -53.32231 149.8573 
1 1 1   -3   23   17 o  184.015   91.028 -97.8310  241.580 -97.8310  241.580   0.0000   0.0000  184.015   91.028  ?   ?       ?      ? 
1 1 1   -3   23   18 o  194.051   95.820  -7.3973  263.512  -7.3973  263.512   0.0000   0.0000  194.051   95.820  ?   ?       ?      ? 
1 1 1   -3   23   19 o  182.287   91.151 -108.8796  270.183 -108.8796  270.183   0.0000   0.0000  182.287   91.151  ?   ?       ?      ? 
1 1 1   -3   23   20 o  161.003   75.801  -2.1843  122.775  -2.1843  122.775   0.0000   0.0000  161.003   75.801  ?   ?       ?      ? 
1 1 1   -3   23   21 o  152.462   72.185 -18.9465  114.243 -18.9465  114.243   0.0000   0.0000  152.462   72.185  ?   ?       ?      ? 
1 1 1   -3   23   22 o  220.080   68.578  172.629  102.210  126.790  117.783  312.406  205.676  199.774   85.332  240.386  107.380 -40.61200 137.1563 
1 1 1   -3   23   23 o  299.799   84.718  346.934  111.192  244.001  119.373  1021.66  305.628  253.162   92.613  346.436  141.886 -93.27448 169.4365 
1 1 1   -3   24    1 o  350.866   77.275  337.452  101.274  303.333  112.634  481.462  231.399  342.945   84.669  358.786  129.294 -15.84109 154.5498 
1 1 1   -3   24    2 o  187.539   60.920  -8.6161   93.173 -42.1035  111.953   66.848  168.061  158.893   74.016  216.185   96.781 -57.29234 121.8397 
1 1 1   -3   24    3 o  240.012   62.617  153.426   89.182  214.895  102.411 -39.4608  181.415  285.748   85.322  194.277   91.672 91.47037 125.2343 
1 1 1   -3   24    4 o  377.125   95.378  560.281  177.757  517.690  245.103  607.539  258.180  363.360  132.740  390.890  136.995 -27.52997 190.7554 
1 1 1   -3   24    5 o  224.386   66.977   79.552   83.146   41.087   93.266  228.515  183.537  177.682   75.915  271.089  110.366 -93.40640 133.9538 
1 1 1   -3   24    6 o  290.646   74.344  193.527   97.076  113.578  111.149  450.635  199.323  219.383   87.060  361.909  120.535 -142.5256 148.6880 
1 1 1   -3   24    8 o  287.814   71.110  197.831  110.629   30.807  141.410  461.320  177.612  194.136   87.682  381.492  111.974 -187.3563 142.2196 
1 1 1   -3   24    9 o  231.038   94.505  137.791  135.377  137.791  135.377   0.0000   0.0000  231.038   94.505  ?   ?       ?      ? 
1 1 1   -3   24   10 o  220.976   66.245   88.210  100.941  -2.5133  131.113  220.234  158.167  177.894   81.893  264.057  104.149 -86.16280 132.4896 
1 1 1   -3   24   11 o  248.298   69.074  172.773  100.652   96.038  134.898  269.145  151.176  210.198   90.581  286.399  104.306 -76.20074 138.1475 
1 1 1   -3   24   12 o  154.568   72.232 -31.8020  107.990 -31.8020  107.990   0.0000   0.0000  154.568   72.232  ?   ?       ?      ? 
1 1 1   -3   24   13 o  263.960   69.145  223.683   98.284  144.659  135.048  312.667  143.307  223.311   93.152  304.608  102.211 -81.29747 138.2907 
1 1 1   -3   24   14 o  226.533   64.839  157.839   92.524   95.606  136.259  211.084  126.037  200.768   88.665  252.298   94.632 -51.53008 129.6786 
1 1 1   -3   24   15 o  206.161   93.463  115.889  162.424  115.889  162.424   0.0000   0.0000  206.161   93.463  ?   ?       ?      ? 
1 1 1   -3   24   16 o  214.875   94.479  155.350  153.116  155.350  153.116   0.0000   0.0000  214.875   94.479  ?   ?       ?      ? 
1 1 1   -3   24   17 o  206.096  100.189  121.311  255.537  121.311  255.537   0.0000   0.0000  206.096  100.189  ?   ?       ?      ? 
1 1 1   -3   24   18 o  183.231   91.555 -87.8564  270.293 -87.8564  270.293   0.0000   0.0000  183.231   91.555  ?   ?       ?      ? 
1 1 1   -3   24   19 o  275.307   80.233  431.928  185.446 -56.7844  312.968  696.357  230.212  189.753   95.337  360.861  129.075 -171.1082 160.4669 
1 1 1   -3   24   20 o  192.336   63.453   97.586  116.757   52.381  207.461  118.542  141.250  187.841   91.074  196.831   88.378 -8.990356 126.9064 
1 1 1   -3   24   21 o  183.046   60.697   66.793  112.591 -22.8285  167.522  140.630  152.056  166.060   80.818  200.032   90.581 -33.97226 121.3935 
1 1 1   -3   25    1 o  384.129  147.379  729.541  309.883   0.0000   0.0000  729.541  309.883  ?   ?   384.129  147.379      ?      ? 
1 1 1   -3   25    2 o  365.635   96.623  589.051  189.787  678.857  265.221  494.807  271.694  401.314  138.951  329.955  134.300 71.35928 193.2456 
1 1 1   -3   25    3 o  216.501   64.321  103.657   98.214  157.573  113.189 -60.6256  197.579  240.714   89.798  192.287   92.116 48.42697 128.6429 
1 1 1   -3   25    4 o  382.831  101.242  686.787  203.663  607.442  276.959  780.213  300.529  361.229  139.144  404.432  147.100 -43.20267 202.4833 
1 1 1   -3   25    5 o  305.479   79.328  264.629  110.008  187.543  126.423  504.987  223.240  253.889   94.865  357.069  127.171 -103.1792 158.6561 
1 1 1   -3   25    6 o  345.782  101.644  365.784  146.254  365.784  146.254   0.0000   0.0000  345.782  101.644  ?   ?       ?      ? 
1 1 1   -3   25    7 o  387.715   90.473  470.270  144.698  303.161  166.520  985.462  292.384  294.975  109.139  480.454  144.327 -185.4783 180.9460 
1 1 1   -3   25    8 o  269.864   78.480  244.925  128.196  164.627  159.477  391.570  215.517  235.122   99.831  304.607  121.119 -69.48453 156.9590 
1 1 1   -3   25    9 o  325.538  113.334  395.044  176.559  395.044  176.559   0.0000   0.0000  325.538  113.334  ?   ?       ?      ? 
1 1 1   -3   25   10 o  198.033   88.428   78.999  139.343   78.999  139.343   0.0000   0.0000  198.033   88.428  ?   ?       ?      ? 
1 1 1   -3   25   11 f  184.626   84.028   48.991  132.923   48.991  132.923   0.0000   0.0000  184.626   84.028  ?   ?       ?      ? 
1 1 1   -3   25   12 o  262.091  103.178  267.007  154.954  267.007  154.954   0.0000   0.0000  262.091  103.178  ?   ?       ?      ? 
1 1 1   -3   25   13 o  313.994   82.655  428.944  138.613  273.970  178.094  667.077  220.765  251.099  105.993  376.889  126.859 -125.7903 165.3110 
1 1 1   -3   25   14 o  211.969   93.252  150.025  149.342  150.025  149.342   0.0000   0.0000  211.969   93.252  ?   ?       ?      ? 
1 1 1   -3   25   15 o  282.304  122.857  517.768  253.101  517.768  253.101   0.0000   0.0000  282.304  122.857  ?   ?       ?      ? 
1 1 1   -3   25   16 o  236.856   67.106  192.106  114.033 -26.4147  170.480  369.040  153.402  170.931   82.799  302.780  105.628 -131.8487 134.2124 
1 1 1   -3   25   17 f  271.094   74.810  315.051  136.910   62.195  193.798  566.980  193.442  189.851   91.023  352.338  118.749 -162.4871 149.6210 
1 1 1   -3   25   18 o  230.607   70.693  237.182  134.598   37.369  224.000  350.095  168.387  187.368   91.675  273.845  107.636 -86.47676 141.3851 
1 1 1   -3   25   19 o  222.147   69.700  202.061  138.583 -49.3978  212.607  387.825  182.737  171.911   85.103  272.384  110.409 -100.4738 139.4009 
1 1 1   -3   26    2 o  218.895   64.593  131.960  101.481  187.548  113.930 -81.5065  223.261  249.213   90.582  188.577   92.108 60.63631 129.1863 
1 1 1   -3   26    3 o  185.581   60.611   36.738   88.641   43.617   98.200   6.4741  205.980  173.938   76.090  197.223   94.368 -23.28514 121.2228 
1 1 1   -3   26    4 o  223.353   66.835  149.378  106.847  193.678  123.330   16.073  213.939  247.357   93.434  199.348   95.592 48.00940 133.6706 
1 1 1   -3   26    5 o  291.619   79.510  331.045  121.760  298.371  141.837  422.574  237.393  293.635  101.617  289.603  122.316 4.032379 159.0200 
1 1 1   -3   26    6 o  266.691   76.620  255.275  114.187  198.131  133.933  407.359  218.495  242.957   95.835  290.425  119.574 -47.46788 153.2399 
1 1 1   -3   26    7 o  350.275   88.853  462.144  135.971  329.303  155.567  892.049  279.858  294.479  106.023  406.071  142.613 -111.5916 177.7056 
1 1 1   -3   26    8 o  277.689   74.505  178.370  104.910   35.888  119.681  651.056  217.988  174.447   79.526  380.931  126.013 -206.4833 149.0092 
1 1 1   -3   26    9 o  209.947   63.214  133.746   89.268  139.918  106.367  119.044  164.173  214.460   85.148  205.434   93.455 9.025330 126.4273 
1 1 1   -3   26   10 o  245.890   69.167  192.747   92.678  122.772  110.587  357.849  169.867  204.079   84.641  287.700  109.418 -83.62148 138.3341 
1 1 1   -3   26   11 o  213.646   62.857   84.341   87.908 -30.5261  107.237  319.690  153.497  147.365   69.820  279.927  104.543 -132.5615 125.7140 
1 1 1   -3   26   12 o  236.889   97.977  220.169  147.592  220.169  147.592   0.0000   0.0000  236.889   97.977  ?   ?       ?      ? 
1 1 1   -3   26   13 o  249.952   69.548  183.471  115.778 -34.4474  151.424  490.152  179.636  163.965   79.083  335.940  114.427 -171.9756 139.0957 
1 1 1   -3   26   14 o  214.001   67.803  166.308  136.035 -147.8318  280.598  262.827  155.535  178.732   89.865  249.271  101.553 -70.53879 135.6051 
1 1 1   -3   26   15 o  281.000  114.088  413.721  195.462   0.0000   0.0000  413.721  195.462  ?   ?   281.000  114.088      ?      ? 
1 1 1   -3   26   16 o  219.771   66.568  178.908  109.151   59.814  156.589  291.461  152.228  181.542   85.512  258.000  102.044 -76.45781 133.1362 
1 1 1   -3   26   17 o  225.759   65.714  171.310  114.349 -75.7507  168.237  383.451  155.895  157.580   77.571  293.938  106.094 -136.3576 131.4272 
1 1 1   -3   27    1 o  246.035   65.204  220.200  100.251  299.805  122.690   60.272  173.900  300.303   94.120  191.768   90.264 108.5347 130.4077 
1 1 1   -3   27    2 o  261.668   78.702  329.983  140.561  336.366  205.725  324.393  192.499  260.776  112.117  262.559  110.479 -1.782776 157.4030 
1 1 1   -3   27    3 o  211.144   61.725  139.330   85.736  167.859  106.325   86.299  144.963  228.986   86.692  193.302   87.890 35.68384 123.4504 
1 1 1   -3   27    4 o  187.100   58.722   78.268   82.369   71.605  100.892   91.586  142.635  180.109   77.974  194.090   87.825 -13.98106 117.4438 
1 1 1   -3   27    5 o  260.854   71.314  274.698  105.922  284.910  128.638  253.197  186.663  282.694   96.829  239.014  104.723 43.67989 142.6280 
1 1 1   -3   27    6 o  201.096   62.462  117.333   91.840  120.945  109.216  108.612  169.701  202.196   84.008  199.997   92.458 2.198318 124.9231 
1 1 1   -3   27    7 o  171.503   56.786  -9.4505   78.806 -65.3872   90.603  164.376  159.717  128.177   61.657  214.829   95.378 -86.65245 113.5716 
1 1 1   -3   27    8 o  158.530   53.624 -15.7356   84.315  -5.6617   96.430 -48.4405  173.747  148.508   69.016  168.552   82.090 -20.04382 107.2473 
1 1 1   -3   27    9 o  181.554   59.042   60.720   89.243   62.160  103.203   56.451  177.691  175.102   77.255  188.006   89.306 -12.90317 118.0845 
1 1 1   -3   27   10 o  298.317   87.380  517.807  173.974  297.173  230.127  812.101  265.780  235.970  108.578  360.665  136.938 -124.6947 174.7601 
1 1 1   -3   27   11 o  275.384   82.914  434.822  171.533  194.125  240.208  685.287  245.033  213.924  102.235  336.843  130.563 -122.9191 165.8270 
1 1 1   -3   27   12 o  266.773   74.691  201.707  124.681 -30.1234  150.943  699.591  221.204  162.969   78.692  370.576  126.974 -207.6069 149.3813 
1 1 1   -3   27   13 f  161.475   79.077 -62.1268  167.790 -62.1268  167.790   0.0000   0.0000  161.475   79.077  ?   ?       ?      ? 
1 1 1   -3   27   14 o  191.910   62.931   98.500  120.398 -49.6739  194.038  191.261  153.527  168.165   82.883  215.656   94.719 -47.49039 125.8626 
1 1 1   -3   28    1 o  297.949   92.385  666.283  203.177  807.382  315.523  566.331  265.563  310.043  135.991  285.856  125.087 24.18655 184.7709 
1 1 1   -3   28    2 o  167.833   57.943 -65.6075  109.959  100.504  193.620 -144.6863  133.592  198.206   93.881  137.460   67.941 60.74643 115.8864 
1 1 1   -3   28    3 o  219.545   96.545  183.747  159.931   0.0000   0.0000  183.747  159.931  ?   ?   219.545   96.545      ?      ? 
1 1 1   -3   28    4 o  310.957  127.380  607.834  246.392   0.0000   0.0000  607.834  246.392  ?   ?   310.957  127.380      ?      ? 
1 1 1   -3   28    5 f  207.164   93.868  145.839  163.579   0.0000   0.0000  145.839  163.579  ?   ?   207.164   93.868      ?      ? 
1 1 1   -3   28    6 o  179.589   85.577   31.270  165.773   0.0000   0.0000   31.270  165.773  ?   ?   179.589   85.577      ?      ? 
1 1 1   -3   28    7 o  195.727   64.003  107.335  114.664  105.180  152.332  110.153  174.174  194.478   89.061  196.976   91.944 -2.498352 128.0062 
1 1 1   -3   28    8 o  164.701   55.844 -11.3937  102.688 -12.7688  137.628  -9.6668  154.231  161.892   77.373  167.511   80.545 -5.618683 111.6876 
1 1 1   -3   28    9 o  298.138   78.599  272.564  140.966 -42.8217  169.944  968.187  252.390  165.111   80.584  431.164  134.971 -266.0527 157.1974 
1 1 1   -3   28   10 o  199.139   64.186   46.146  104.516 -96.4616  126.539  352.279  185.400  139.619   68.437  258.659  108.608 -119.0398 128.3719 
1 1 1   -3   28   11 o  215.114   94.385  193.142  152.100  193.142  152.100   0.0000   0.0000  215.114   94.385  ?   ?       ?      ? 
1 1 1   -3   29    1 o  161.706   55.362 -19.4327  100.134  -8.3925  117.231 -49.2211  192.564  154.423   73.116  168.989   83.149 -14.56595 110.7239 
1 1 1   -3   29    2 o  213.629   66.428  175.562  119.034  271.419  150.798   17.095  193.888  248.643  100.467  178.615   86.932 70.02798 132.8563 
1 1 1   -3   29    3 o  209.089   64.763  140.863  116.537  290.396  152.186 -71.1211  181.201  255.393  101.707  162.785   80.205 92.60741 129.5268 
1 1 1   -3   29    4 o  159.041   54.029 -19.2589   95.587 -51.8461  125.245   26.203  147.931  147.193   71.220  170.889   81.265 -23.69662 108.0570 
1 1 1   -3   29    5 o  283.901   82.581  431.218  139.672  306.054  170.578  685.867  243.307  248.132  104.182  319.670  128.160 -71.53787 165.1630 
1 1 1   -3   29    6 o  193.968   62.960   89.850  101.423   2.9194  124.074  264.924  176.078  157.854   74.879  230.081  101.237 -72.22736 125.9201 
1 1 1   -2    0    1 o  983.309   24.986  1900.31  135.197  1900.31  135.197  1900.31  135.197  983.309   35.336  983.309   35.336 -0.000000 0.000000 
1 1 1   -2    0    2 o  999.645   25.274  1964.12  139.031  1964.12  139.031  1964.12  139.031  999.645   35.743  999.645   35.743 0.000000 0.000000 
1 1 1   -2    0    3 o  335.043   16.426  222.496   30.037  222.496   30.037  222.496   30.037  335.043   23.229  335.043   23.229 -0.000000 0.000000 
1 1 1   -2    0    4 o  1049.71   26.134  2166.42  150.974  2166.42  150.974  2166.42  150.974  1049.71   36.959  1049.71   36.959 -0.000000 0.000000 
1 1 1   -2    0    5 o  666.001   20.132  872.291   73.689  872.291   73.689  872.291   73.689  666.001   28.471  666.001   28.471 -0.000000 0.000000 
1 1 1   -2    0    6 o  1038.25   25.960  2120.12  148.326  2120.12  148.326  2120.12  148.326  1038.25   36.713  1038.25   36.713 0.000000 0.000000 
1 1 1   -2    0    7 f  405.036   17.109  324.146   37.932  324.146   37.932  324.146   37.932  405.036   24.196  405.036   24.196 -0.000000 0.000000 
1 1 1   -2    0    8 o  1128.59   39.402  2532.09  244.048  2532.09  244.048  2532.09  244.048  1128.59   55.722  1128.59   55.722 -0.000000 0.000000 
1 1 1   -2    0    9 o  402.522   17.149  320.349   37.779  320.349   37.779  320.349   37.779  402.522   24.252  402.522   24.252 0.000000 0.000000 
1 1 1   -2    0   10 f  361.322   16.903  258.775   33.367  258.775   33.367  258.775   33.367  361.322   23.904  361.322   23.904 -0.000000 0.000000 
1 1 1   -2    0   11 o  856.803   23.165  1448.03  109.172  1448.03  109.172  1448.03  109.172  856.803   32.760  856.803   32.760 -0.000000 0.000000 
1 1 1   -2    0   12 o  285.764   16.716  163.261   25.947  163.261   25.947  163.261   25.947  285.764   23.640  285.764   23.640 -0.000000 0.000000 
1 1 1   -2    0   13 o  916.937   34.635  1689.66  174.126  1689.66  174.126  1689.66  174.126  916.937   48.982  916.937   48.982 -0.000000 0.000000 
1 1 1   -2    0   14 o  127.901   20.928   36.790   12.853   36.790   12.853   36.790   12.853  127.901   29.597  127.901   29.597 -0.000000 0.000000 
1 1 1   -2    0   15 o  489.683   18.151  474.043   48.745  474.043   48.745  474.043   48.745  489.683   25.670  489.683   25.670 0.000000 0.000000 
1 1 1   -2    0   16 o  1515.13   34.920  4563.77  291.292  4563.77  291.292  4563.77  291.292  1515.13   49.385  1515.13   49.385 -0.000000 0.000000 
1 1 1   -2    0   17 o  694.142   20.699  949.738   78.975  949.738   78.975  949.738   78.975  694.142   29.273  694.142   29.273 0.000000 0.000000 
1 1 1   -2    0   18 o  1060.78   26.471  2219.76  154.529  2219.76  154.529  2219.76  154.529  1060.78   37.436  1060.78   37.436 -0.000000 0.000000 
1 1 1   -2    0   19 o  361.868   24.417  263.879   47.743  263.879   47.743  263.879   47.743  361.868   34.531  361.868   34.531 -0.000000 0.000000 
1 1 1   -2    0   20 o  1139.15   39.972  2591.15  249.881  2591.15  249.881  2591.15  249.881  1139.15   56.529  1139.15   56.529 0.000000 0.000000 
1 1 1   -2    0   21 o  491.333   18.442  476.715   49.685  476.715   49.685  476.715   49.685  491.333   26.081  491.333   26.081 0.000000 0.000000 
1 1 1   -2    0   22 o  674.162   20.556  896.063   76.157  896.063   76.157  896.063   76.157  674.162   29.071  674.162   29.071 -0.000000 0.000000 
1 1 1   -2    0   23 o  430.075   18.093  366.155   42.596  366.155   42.596  366.155   42.596  430.075   25.587  430.075   25.587 -0.000000 0.000000 
1 1 1   -2    0   24 o  683.799   20.850  922.558   78.350  922.558   78.350  922.558   78.350  683.799   29.486  683.799   29.486 -0.000000 0.000000 
1 1 1   -2    0   25 o  195.484   29.189   84.510   27.708   84.510   27.708   84.510   27.708  195.484   41.279  195.484   41.279 0.000000 0.000000 
1 1 1   -2    0   26 o  873.552   23.847  1510.16  114.576  1510.16  114.576  1510.16  114.576  873.552   33.725  873.552   33.725 -0.000000 0.000000 
1 1 1   -2    0   27 o  583.377   20.024  674.387   64.123  674.387   64.123  674.387   64.123  583.377   28.318  583.377   28.318 -0.000000 0.000000 
1 1 1   -2    0   28 o  293.729   19.876  174.627   31.542  174.627   31.542  174.627   31.542  293.729   28.109  293.729   28.109 0.000000 0.000000 
1 1 1   -2    0   29 f  668.148   21.297  889.202   78.167  889.202   78.167  889.202   78.167  668.148   30.119  668.148   30.119 0.000000 0.000000 
1 1 1   -2    0   30 o  741.767   22.432  1099.90   91.447  1099.90   91.447  1099.90   91.447  741.767   31.723  741.767   31.723 0.000000 0.000000 
1 1 1   -2    0   31 o  329.840   21.191  221.274   37.843  221.274   37.843  221.274   37.843  329.840   29.969  329.840   29.969 -0.000000 0.000000 
1 1 1   -2    0   32 o  713.225   34.914  1060.57  135.916  1060.57  135.916  1060.57  135.916  713.225   49.376  713.225   49.376 0.000000 0.000000 
1 1 1   -2    0   33 o  113.160   34.504   37.327   22.149   37.327   22.149   37.327   22.149  113.160   48.796  113.160   48.796 -0.000000 0.000000 
1 1 1   -2    0   34 o  204.175   28.271   93.379   28.364   93.379   28.364   93.379   28.364  204.175   39.981  204.175   39.981 -0.000000 0.000000 
1 1 1   -2    0   35 o  284.850   24.380  171.150   36.833  171.150   36.833  171.150   36.833  284.850   34.478  284.850   34.478 0.000000 0.000000 
1 1 1   -2    0   36 o   93.500   34.208   27.230   22.743   27.230   22.743   27.230   22.743   93.500   48.377   93.500   48.377 -0.000000 0.000000 
1 1 1   -2    0   37 o  248.707   26.825  134.685   34.277  134.685   34.277  134.685   34.277  248.707   37.936  248.707   37.936 0.000000 0.000000 
1 1 1   -2    1    1 o  304.873   15.808  181.786   18.796  190.747   26.854  173.179   26.317  312.248   22.038  297.498   22.669 14.75003 31.61576 
1 1 1   -2    1    2 o  1184.00   28.434  2756.04  131.237  2839.16  190.994  2681.70  180.634  1200.74   40.760  1167.26   39.655 33.48755 56.86765 
1 1 1   -2    1    3 o  672.707   20.074  886.979   52.697  891.348   74.731  882.659   74.320  674.353   28.398  671.060   28.380 3.292908 40.14801 
1 1 1   -2    1    4 o  861.409   23.089  1456.71   77.612  1465.39  110.346  1448.21  109.183  863.937   32.730  858.882   32.575 5.054199 46.17771 
1 1 1   -2    1    5 o  709.405   20.628  986.598   57.092  967.379   79.709  1006.85   81.813  702.324   29.083  716.485   29.261 -14.16113 41.25535 
1 1 1   -2    1    6 f  1535.53   35.148  4673.23  210.618  4670.97  298.069  4675.49  297.650  1535.14   49.755  1535.93   49.660 -0.7885742 70.29695 
1 1 1   -2    1    7 o  509.552   18.016  508.684   35.817  520.935   51.230  496.970   50.096  515.552   25.464  503.551   25.493 12.00073 36.03192 
1 1 1   -2    1    8 o  1030.24   36.812  2113.69  147.998  2114.95  209.320  2112.42  209.281  1030.55   52.049  1029.93   52.071 0.6257324 73.62334 
1 1 1   -2    1    9 o  852.917   22.987  1426.05   76.308  1519.08  113.070  1348.23  103.408  878.235   32.992  827.599   32.019 50.63696 45.97445 
1 1 1   -2    1   10 o  351.631   16.539  242.582   22.694  239.452   32.014  245.743   32.175  349.344   23.483  353.919   23.296 -4.574982 33.07800 
1 1 1   -2    1   11 o  515.963   18.227  523.773   36.700  524.507   51.997  523.045   51.808  516.318   25.807  515.608   25.748 0.7103882 36.45471 
1 1 1   -2    1   12 o  348.313   16.611  238.579   22.560  252.510   32.398  225.464   31.434  358.216   23.176  338.410   23.802 19.80527 33.22169 
1 1 1   -2    1   13 o  430.872   24.699  370.148   41.523  377.124   59.369  363.469   58.096  434.829   34.987  426.915   34.872 7.913757 49.39762 
1 1 1   -2    1   14 o  486.944   17.983  467.859   34.167  477.552   48.734  458.489   47.916  491.912   25.387  481.975   25.476 9.937164 35.96560 
1 1 1   -2    1   15 o  348.028   16.763  238.325   22.764  242.964   32.303  233.748   32.086  351.411   23.555  344.645   23.856 6.765381 33.52594 
1 1 1   -2    1   16 o  1068.15   32.805  2308.01  130.483  2215.18  217.385  2360.30  163.141  1046.67   53.222  1089.62   38.367 -42.94629 65.60905 
1 1 1   -2    1   17 o  1072.01   26.745  2278.78  111.883  2273.79  157.862  2283.81  158.594  1070.85   37.776  1073.16   37.869 -2.315186 53.48958 
1 1 1   -2    1   18 o  503.904   18.180  498.593   35.739  515.080   51.174  482.896   49.934  512.045   25.610  495.763   25.810 16.28174 36.36000 
1 1 1   -2    1   19 f  320.878   20.093  201.167   23.945  198.169   29.524  206.929   40.931  317.791   23.807  323.965   32.376 -6.174103 40.18670 
1 1 1   -2    1   20 o  554.848   27.081  608.931   58.600  589.631   81.151  629.960   84.709  545.712   38.106  563.983   38.489 -18.27118 54.16165 
1 1 1   -2    1   21 f  538.891   18.803  570.125   39.510  601.551   57.068  541.195   54.755  553.156   26.437  524.626   26.745 28.52985 37.60622 
1 1 1   -2    1   22 o  661.254   20.313  861.304   52.415  869.852   74.531  852.939   73.729  664.497   28.742  658.011   28.713 6.485657 40.62626 
1 1 1   -2    1   23 o  733.565   21.384  1061.84   61.215  1064.41   86.568  1059.28   86.574  734.460   30.203  732.670   30.279 1.789917 42.76780 
1 1 1   -2    1   24 o  472.634   18.356  438.719   33.817  414.160   46.607  466.024   49.143  458.685   26.038  486.584   25.880 -27.89890 36.71178 
1 1 1   -2    1   25 o  152.010   36.055   47.741   21.065   0.0000   0.0000   47.741   21.065  ?   ?   152.010   36.055      ?      ? 
1 1 1   -2    1   26 o  628.182   20.356  781.040   49.895  778.196   69.943  783.988   71.198  627.082   28.582  629.283   28.993 -2.201477 40.71253 
1 1 1   -2    1   27 o  563.954   19.756  629.611   43.424  602.364   59.628  660.380   63.364  551.062   27.728  576.846   28.148 -25.78357 39.51153 
1 1 1   -2    1   28 o  338.811   19.088  228.205   25.221  224.021   34.921  232.766   36.465  335.648   26.661  341.975   27.324 -6.327026 38.17577 
1 1 1   -2    1   29 o  389.820   19.388  303.820   29.477  302.865   40.979  304.845   42.433  389.338   26.971  390.302   27.859 -0.9644470 38.77608 
1 1 1   -2    1   30 o  557.093   20.589  625.130   44.736  653.130   63.683  597.852   62.858  569.689   28.645  544.498   29.582 25.19135 41.17844 
1 1 1   -2    1   31 o  424.128   20.165  363.098   33.344  375.490   46.750  350.268   47.571  431.871   27.739  416.386   29.276 15.48569 40.33070 
1 1 1   -2    1   32 o  631.028   34.922  865.265   85.734  910.386  119.330  817.125  123.256  651.095   46.965  610.962   51.697 40.13239 69.84454 
1 1 1   -2    1   33 o  351.025   21.470  252.172   29.358  249.114   40.231  255.656   42.937  349.205   29.522  352.846   31.183 -3.641357 42.94096 
1 1 1   -2    1   34 o  211.232   25.870   95.747   20.733   83.255   29.020  108.771   29.632  194.294   39.618  228.170   33.279 -33.87590 51.74040 
1 1 1   -2    1   35 o  164.795   28.196   60.911   17.945   57.868   25.788   63.767   24.987  160.193   41.061  169.397   38.652 -9.203796 56.39112 
1 1 1   -2    1   36 o  304.135   25.030  193.095   29.434  166.282   38.766  229.599   45.231  279.559   35.534  328.710   35.261 -49.15063 50.05994 
1 1 1   -2    1   37 o  315.395   25.647  215.025   31.173  205.646   47.133  222.318   41.561  306.616   39.391  324.175   32.853 -17.55899 51.29340 
1 1 1   -2    2    1 o  582.796   24.997  667.274   56.847  674.676   80.942  660.070   79.857  585.979   35.396  579.612   35.305 6.367004 49.99381 
1 1 1   -2    2    2 o  602.591   24.817  712.078   58.300  746.333   84.721  681.266   80.351  616.315   35.225  588.866   34.966 27.44836 49.63302 
1 1 1   -2    2    3 o  651.281   23.243  840.253   57.309  865.453   73.320  800.679   91.879  664.468   28.276  638.093   36.898 26.37561 46.48636 
1 1 1   -2    2    4 o  725.262   20.854  1030.69   58.992  1062.29   85.075  1001.41   81.872  735.946   29.623  714.578   29.360 21.36755 41.70728 
1 1 1   -2    2    5 o  998.612   25.333  1960.99   98.716  1981.75  140.610  1940.82  138.623  1003.81   35.895  993.417   35.758 10.39075 50.66642 
1 1 1   -2    2    6 o  1381.26   32.121  3772.98  173.137  3782.66  245.536  3763.41  244.176  1382.99   45.495  1379.53   45.357 3.467896 64.24178 
1 1 1   -2    2    7 o  218.207   23.499   95.756   19.226  115.164   27.320   76.715   27.061  242.229   28.901  194.186   37.062 48.04335 46.99863 
1 1 1   -2    2    8 o  771.773   26.598  1179.57   75.783  1189.07   93.389  1161.25  129.680  777.749   30.770  765.797   43.394 11.95209 53.19565 
1 1 1   -2    2    9 o  624.066   19.533  764.754   47.559  783.322   68.139  747.115   66.411  631.445   27.652  616.687   27.596 14.75757 39.06624 
1 1 1   -2    2   10 o  546.077   18.572  585.870   39.569  600.139   56.592  572.222   55.347  552.583   26.244  539.571   26.286 13.01184 37.14399 
1 1 1   -2    2   11 o  337.568   16.536  223.937   21.783  225.005   30.866  222.877   30.746  338.371   23.375  336.765   23.395 1.606293 33.07174 
1 1 1   -2    2   12 o  562.241   23.102  627.530   47.848  627.384   58.728  627.817   82.522  563.754   26.695  560.728   37.713 3.026184 46.20428 
1 1 1   -2    2   13 o  399.320   21.095  315.056   30.940  319.602   53.869  312.819   37.796  400.388   34.477  398.252   24.319 2.135712 42.19095 
1 1 1   -2    2   14 f  413.068   17.268  336.385   27.835  336.969   39.287  335.796   39.444  413.440   24.350  412.695   24.492 0.7446899 34.53668 
1 1 1   -2    2   15 o  544.549   18.677  584.369   39.685  595.412   56.562  573.663   55.694  549.624   26.371  539.475   26.455 10.14874 37.35385 
1 1 1   -2    2   16 o  744.538   26.227  1111.19   72.510  1063.51  121.582  1137.51   90.332  729.968   42.681  759.108   30.493 -29.14014 52.45489 
1 1 1   -2    2   17 o  731.461   21.187  1054.05   60.462  1034.37   84.411  1074.79   86.646  724.477   29.857  738.444   30.068 -13.96698 42.37323 
1 1 1   -2    2   18 o  461.485   17.800  418.133   32.051  411.480   44.828  425.090   45.842  457.740   25.096  465.230   25.250 -7.490082 35.60034 
1 1 1   -2    2   19 o  489.203   22.104  481.134   40.189  506.120   50.510  438.024   66.346  507.658   25.496  470.747   36.115 36.91016 44.20835 
1 1 1   -2    2   20 o  838.778   32.738  1398.32  106.971  1479.62  157.083  1328.02  146.076  861.269   46.737  816.286   45.857 44.98248 65.47665 
1 1 1   -2    2   21 o  750.406   21.570  1108.98   63.130  1082.92   87.522  1137.23   91.146  741.287   30.255  759.524   30.751 -18.23639 43.13948 
1 1 1   -2    2   22 o  882.451   23.611  1539.30   81.308  1543.02  115.059  1535.59  114.916  883.522   33.371  881.379   33.411 2.143066 47.22195 
1 1 1   -2    2   23 o  642.294   20.271  810.310   50.715  877.674   74.158  751.127   69.510  667.326   28.477  617.262   28.856 50.06366 40.54156 
1 1 1   -2    2   24 f  485.918   18.754  465.198   35.541  472.674   49.679  457.361   50.867  490.009   25.980  481.827   27.053 8.182465 37.50722 
1 1 1   -2    2   25 o  191.990   26.323   76.011   19.120   64.150   28.306   85.963   25.929  175.645   41.886  208.334   31.892 -32.68906 52.64521 
1 1 1   -2    2   26 o  226.031   19.914  101.297   17.528  106.580   24.487   95.744   25.103  232.213   27.021  219.850   29.259 12.36374 39.82797 
1 1 1   -2    2   27 o  335.563   18.772  223.765   24.460  249.585   34.644  198.103   34.538  355.212   24.993  315.914   28.015 39.29874 37.54325 
1 1 1   -2    2   28 o  221.243   20.311   97.617   17.532   95.186   24.467  100.183   25.134  218.417   28.706  224.070   28.744 -5.653473 40.62289 
1 1 1   -2    2   29 o  479.996   19.816  460.906   37.073  452.429   51.007  470.398   53.977  475.557   27.485  484.436   28.552 -8.879242 39.63153 
1 1 1   -2    2   30 o  367.140   20.301  272.302   28.936  282.846   39.495  260.085   42.514  375.510   26.952  358.769   30.366 16.74081 40.60184 
1 1 1   -2    2   31 o  189.992   30.394   64.303   19.507  113.520   41.108   49.998   22.161  227.177   47.879  152.807   37.455 74.37027 60.78823 
1 1 1   -2    2   32 o  455.021   36.841  439.329   62.067  407.350   75.654  505.167  108.551  437.551   44.307  472.491   58.872 -34.93988 73.68172 
1 1 1   -2    2   33 o  377.808   21.441  293.106   31.481  300.048   42.975  285.066   46.247  383.583   28.709  372.032   31.855 11.55118 42.88293 
1 1 1   -2    2   34 o  212.956   24.909   96.049   20.118  112.063   29.577   82.263   27.443  231.799   32.698  194.112   37.587 37.68713 49.81865 
1 1 1   -2    2   35 o  132.294   28.721   39.243   16.531   30.169   25.418   45.894   21.762  120.913   42.928  143.674   38.168 -22.76082 57.44180 
1 1 1   -2    2   36 o  146.004   30.348   48.702   18.421   45.358   28.083   51.228   24.404  141.404   45.117  150.604   40.600 -9.199982 60.69538 
1 1 1   -2    2   37 o  446.131   26.317  427.458   44.995  447.892   71.086  413.800   58.119  451.077   40.383  441.185   33.757 9.892761 52.63408 
1 1 1   -2    3    1 o  328.401   82.211  226.864  105.115  226.864  105.115   0.0000   0.0000  328.401   82.211  ?   ?       ?      ? 
1 1 1   -2    3    2 o  1107.74   87.074  2415.42  206.265  2378.34  215.069  2840.73  728.379  1096.01   50.284  1119.46  166.731 -23.45227 174.1484 
1 1 1   -2    3    3 o  510.270   23.652  511.190   47.085  527.359   67.362  495.743   65.840  518.170   33.313  502.371   33.584 15.79968 47.30338 
1 1 1   -2    3    4 o  1006.87   33.892  1998.61  132.837  2108.94  196.514  1905.78  180.257  1032.11   48.791  981.631   47.056 50.47681 67.78464 
1 1 1   -2    3    5 o  511.999   21.218  514.117   40.838  513.155   51.272  515.786   67.542  511.741   25.674  512.257   33.787 -0.5155945 42.43524 
1 1 1   -2    3    6 o  745.333   30.100  1097.40   87.545  1092.48  123.142  1102.42  124.482  743.675   42.432  746.991   42.703 -3.315735 60.19992 
1 1 1   -2    3    7 f  427.499   21.482  370.687   33.819  399.085   42.405  321.055   56.059  451.273   24.079  403.725   35.582 47.54749 42.96355 
1 1 1   -2    3    8 o  392.705   16.851  301.884   25.795  322.822   37.210  282.513   35.790  405.820   23.496  379.590   24.161 26.23022 33.70157 
1 1 1   -2    3    9 o  352.428   20.221  244.331   26.327  243.977   45.168  244.513   32.400  351.792   32.901  353.064   23.516 -1.272308 40.44127 
1 1 1   -2    3   10 o  528.058   18.375  547.616   37.841  573.245   54.561  523.862   52.527  539.963   25.893  516.153   26.078 23.80963 36.74918 
1 1 1   -2    3   11 o  438.784   17.447  378.211   29.834  406.971   43.188  351.961   41.261  454.760   24.336  422.809   25.007 31.95065 34.89425 
1 1 1   -2    3   12 o  741.483   30.537  1105.06   88.246  1152.54  128.872  1063.14  121.088  756.185   43.672  726.780   42.694 29.40527 61.07344 
1 1 1   -2    3   13 o  280.858   20.834  160.433   21.349  144.194   36.416  168.937   26.353  268.893   34.704  292.823   23.062 -23.92972 41.66815 
1 1 1   -2    3   14 o  403.369   17.259  320.408   27.151  336.636   38.897  304.986   37.917  413.371   24.113  393.366   24.701 20.00467 34.51870 
1 1 1   -2    3   15 o  188.372   22.402   70.414   14.458   69.110   17.047   73.755   27.292  187.491   23.299  189.252   38.269 -1.761414 44.80346 
1 1 1   -2    3   16 o  647.979   24.600  831.366   59.001  831.231  100.791  831.437   72.773  646.437   39.955  649.521   28.711 -3.084534 49.20029 
1 1 1   -2    3   17 o  328.576   16.978  211.389   21.733  195.334   29.920  229.321   31.619  315.380   24.311  341.772   23.707 -26.39157 33.95641 
1 1 1   -2    3   18 o  698.926   25.278  991.209   67.014  1128.17   89.344  815.044  101.327  756.875   30.249  640.978   40.509 115.8969 50.55665 
1 1 1   -2    3   19 o  880.121   28.814  1548.00   94.220  1497.49  158.277  1575.72  117.260  866.628   46.801  893.615   33.625 -26.98639 57.62801 
1 1 1   -2    3   20 o  919.343   29.838  1703.21  102.209  1765.81  128.322  1594.59  169.041  945.435   34.781  893.252   48.494 52.18256 59.67701 
1 1 1   -2    3   21 o  636.133   20.099  795.692   49.850  774.911   68.769  818.702   72.365  627.458   28.085  644.808   28.758 -17.35016 40.19724 
1 1 1   -2    3   22 o  885.981   23.779  1540.43   81.788  1442.94  109.110  1665.46  123.565  854.541   32.719  917.422   34.514 -62.88147 47.55777 
1 1 1   -2    3   23 f  734.412   21.547  1062.49   61.665  1026.38   84.500  1103.63   90.194  721.213   30.023  747.611   30.915 -26.39764 43.09464 
1 1 1   -2    3   24 o  505.608   22.527  512.036   42.512  529.174   53.416  482.424   70.212  518.358   26.406  492.858   36.505 25.50003 45.05471 
1 1 1   -2    3   25 o  418.817   27.700  346.237   45.273   0.0000   0.0000  346.237   45.273  ?   ?   418.817   27.700      ?      ? 
1 1 1   -2    3   26 o  244.830   20.201  119.604   19.149  130.652   26.388  107.315   27.831  257.140   26.297  232.521   30.672 24.61909 40.40151 
1 1 1   -2    3   27 o  573.575   20.170  653.687   45.094  651.084   62.235  656.564   65.430  572.617   27.851  574.534   29.183 -1.916199 40.33993 
1 1 1   -2    3   28 o  283.119   19.751  157.807   21.675  137.012   28.928  184.423   32.728  262.046   28.288  304.191   27.570 -42.14465 39.50111 
1 1 1   -2    3   29 o  531.950   20.649  567.209   42.700  638.192   61.779  502.283   59.084  564.340   28.052  499.559   30.308 64.78073 41.29747 
1 1 1   -2    3   30 o  436.421   20.630  384.366   34.975  388.133   47.419  379.871   51.794  439.485   27.649  433.357   30.627 6.127716 41.26087 
1 1 1   -2    3   31 o  343.976   27.231  243.010   34.925  252.864   59.091  237.720   43.297  346.381   43.715  341.572   32.482 4.809784 54.46178 
1 1 1   -2    3   32 o  421.150   34.975  349.561   42.116  332.918   45.687  443.699  108.661  405.211   28.892  437.089   63.705 -31.87744 69.95033 
1 1 1   -2    3   33 o  263.588   23.121  144.578   23.518  167.652   33.212  121.373   33.306  286.106   29.747  241.071   35.404 45.03531 46.24181 
1 1 1   -2    3   34 o  401.729   21.884  335.823   34.135  352.141   46.845  317.349   49.843  413.599   29.024  389.859   32.762 23.73978 43.76881 
1 1 1   -2    3   35 o  128.653   28.107   37.001   15.800   27.765   24.859   43.261   20.465  117.445   42.370  139.861   36.944 -22.41636 56.21432 
1 1 1   -2    3   36 o  169.912   31.455   67.326   20.830   62.239   33.914   70.407   26.395  162.274   49.246  177.549   39.148 -15.27490 62.91059 
1 1 1   -2    3   37 o  317.340   26.265  211.021   31.649  249.704   52.497  188.935   39.668  337.009   39.918  297.672   34.148 39.33658 52.53096 
1 1 1   -2    4    1 o  258.240   51.645  137.882   54.443  148.079   77.450  127.921   76.546  266.823   72.495  249.657   73.576 17.16658 103.2901 
1 1 1   -2    4    2 o  421.630   65.211  377.491  104.309  367.758  146.900  387.390  148.137  415.849   92.868  427.411   91.572 -11.56229 130.4218 
1 1 1   -2    4    3 o   93.500   25.810   10.345   13.625   11.630   19.310   9.0712   19.229   95.219   36.723   91.781   36.278 3.437225 51.62041 
1 1 1   -2    4    4 o  775.989   63.254  1102.55  110.046  1074.26  114.937  1413.79  381.259  738.175   39.900  813.802  120.052 -75.62762 126.5088 
1 1 1   -2    4    5 o  817.219   64.953  1199.26  123.961  1626.36  415.210  1157.47  129.884  869.208  122.409  765.229   43.494 103.9781 129.9063 
1 1 1   -2    4    6 o  958.752   33.895  1821.61  126.697  1934.92  182.630  1716.49  175.911  987.638   47.385  929.867   48.478 57.77087 67.78951 
1 1 1   -2    4    7 o  272.308   16.945  151.848   17.074  171.795   21.921  121.088   27.222  296.294   18.959  248.322   28.091 47.97192 33.89041 
1 1 1   -2    4    8 o  430.382   20.623  373.081   33.402  404.015   43.074  326.419   52.902  453.811   24.322  406.952   33.312 46.85956 41.24613 
1 1 1   -2    4    9 f  338.997   20.866  230.988   25.743  240.120   31.563  212.841   44.492  349.812   23.121  328.182   34.741 21.63062 41.73109 
1 1 1   -2    4   10 o  446.674   17.541  392.363   30.571  401.200   43.435  383.688   43.036  451.681   24.642  441.667   24.969 10.01355 35.08128 
1 1 1   -2    4   11 o  591.205   23.506  680.769   50.624  657.943   60.996  731.298   90.752  577.313   27.075  605.096   38.432 -27.78308 47.01147 
1 1 1   -2    4   12 o  403.040   21.038  314.800   30.981  342.703   55.396  302.101   37.372  414.714   34.229  391.366   24.470 23.34827 42.07654 
1 1 1   -2    4   13 o  331.937   16.786  217.273   21.686  238.067   30.940  197.195   30.403  347.684   22.804  316.189   24.640 31.49426 33.57289 
1 1 1   -2    4   14 o  208.464   16.465   85.387   13.378   79.713   18.569   91.511   19.290  201.246   23.645  215.681   22.919 -14.43538 32.92938 
1 1 1   -2    4   15 o  345.383   21.611  236.944   26.836  239.057   32.302  232.237   48.212  348.723   23.737  342.044   36.120 6.678925 43.22110 
1 1 1   -2    4   16 o  765.382   21.790  1155.10   65.056  1135.00   90.435  1176.67   93.655  758.555   30.551  772.208   31.079 -13.65338 43.58014 
1 1 1   -2    4   17 o  737.590   21.337  1071.55   61.405  1056.77   85.876  1087.02   87.837  732.416   30.046  742.763   30.304 -10.34680 42.67392 
1 1 1   -2    4   18 o  1398.47   40.973  3897.54  206.616  4071.74  374.260  3821.17  247.800  1412.12   67.916  1384.82   45.854 27.29907 81.94564 
1 1 1   -2    4   19 o  529.589   22.753  553.629   44.916  550.486   75.523  555.349   55.870  527.610   36.681  531.568   26.933 -3.957581 45.50674 
1 1 1   -2    4   20 o  666.011   25.837  868.234   61.635  854.196   73.518  901.437  113.070  658.831   28.595  673.191   43.040 -14.36047 51.67353 
1 1 1   -2    4   21 o  762.978   21.948  1147.53   65.328  1187.77   93.627  1109.35   91.198  776.038   30.916  749.919   31.163 26.11902 43.89692 
1 1 1   -2    4   22 o  692.710   21.003  946.324   56.768  962.383   80.210  930.208   80.354  698.668   29.419  686.752   29.983 11.91565 42.00525 
1 1 1   -2    4   23 o  727.039   21.736  1035.68   61.432  1152.82   91.637  940.068   82.790  764.091   30.732  689.986   30.747 74.10461 43.47265 
1 1 1   -2    4   24 o  780.407   27.166  1189.59   76.897  1151.90   92.350  1274.80  138.859  763.331   31.002  797.483   44.619 -34.15192 54.33229 
1 1 1   -2    4   25 o  425.543   23.774  363.539   38.213  343.004   61.371  376.542   48.835  414.607   37.931  436.480   28.671 -21.87344 47.54739 
1 1 1   -2    4   26 o  367.862   19.495  264.415   27.707  244.742   36.231  292.127   43.002  351.818   26.389  383.907   28.703 -32.08859 38.99068 
1 1 1   -2    4   27 o  441.821   19.585  386.907   33.569  379.495   44.912  396.289   50.531  437.425   26.311  446.217   29.019 -8.791443 39.17075 
1 1 1   -2    4   28 o  106.363   22.783   21.007   12.231  -2.7042   18.711   38.699   16.163   76.411   33.326  136.315   31.075 -59.90421 45.56574 
1 1 1   -2    4   29 o  712.988   22.659  1020.21   62.608  966.157   82.960  1091.74   95.426  692.231   30.710  733.745   33.326 -41.51392 45.31852 
1 1 1   -2    4   30 o  475.641   20.678  458.590   38.180  491.217   52.781  422.778   55.297  494.450   27.354  456.832   31.018 37.61771 41.35671 
1 1 1   -2    4   31 o  495.956   26.336  517.120   49.723  455.016   76.040  563.513   65.721  465.865   41.826  526.047   32.015 -60.18246 52.67252 
1 1 1   -2    4   32 o  497.059   36.604  513.859   51.175  500.377   55.611  588.388  130.747  496.651   28.693  497.467   67.350 -0.8161621 73.20715 
1 1 1   -2    4   33 o  175.926   27.375   69.070   18.788   47.229   27.711   87.651   25.560  145.852   44.571  206.001   31.795 -60.14830 54.74935 
1 1 1   -2    4   34 o  364.274   22.760  277.984   31.786  340.538   45.575  218.738   44.354  406.786   28.710  321.762   35.324 85.02438 45.51961 
1 1 1   -2    4   35 o  293.802   23.778  182.107   27.118  186.723   36.882  176.674   40.012  299.121   31.596  288.482   35.541 10.63855 47.55529 
1 1 1   -2    4   36 o   96.899   24.699   14.056   15.249 -54.1833   33.172   32.342   17.171   72.166   35.303  121.632   34.554 -49.46618 49.39864 
1 1 1   -2    5    1 o  160.930   55.512   47.020   42.312   0.0000   0.0000   47.020   42.312  ?   ?   160.930   55.512      ?      ? 
1 1 1   -2    5    2 o  427.097   93.086  389.130  150.766  389.130  150.766   0.0000   0.0000  427.097   93.086  ?   ?       ?      ? 
1 1 1   -2    5    3 o  282.092   76.806  166.852   86.827  166.852   86.827   0.0000   0.0000  282.092   76.806  ?   ?       ?      ? 
1 1 1   -2    5    4 o  179.237   59.690   61.199   48.881   61.199   48.881   0.0000   0.0000  179.237   59.690  ?   ?       ?      ? 
1 1 1   -2    5    5 o  1224.05  102.212  3157.75  260.550  3117.03  271.670  3624.82  920.096  1249.33   55.723  1198.77  196.683 50.56140 204.4244 
1 1 1   -2    5    6 o  758.853   65.384  1135.04  112.682  1119.64  118.253  1287.01  371.499  752.537   40.267  765.169  124.414 -12.63196 130.7679 
1 1 1   -2    5    7 o  305.252   20.401  182.683   24.232  203.358   35.200  164.060   33.408  321.687   28.040  288.817   29.641 32.86966 40.80258 
1 1 1   -2    5    8 o  310.799   21.482  190.115   25.967  212.150   37.393  169.593   36.087  328.290   29.188  293.308   31.528 34.98245 42.96398 
1 1 1   -2    5    9 o  332.347   20.325  228.605   24.930  264.213   32.224  175.525   39.344  366.846   22.509  297.848   33.849 68.99838 40.65048 
1 1 1   -2    5   10 o  702.270  141.908  1269.07  375.522   0.0000   0.0000  1269.07  375.522  ?   ?   702.270  141.908      ?      ? 
1 1 1   -2    5   11 o  609.270   26.993  739.029   63.857  779.283   96.127  707.234   85.432  623.506   39.507  595.035   36.791 28.47064 53.98527 
1 1 1   -2    5   12 o  667.457   24.103  905.353   61.418  1013.61   82.349  769.639   92.201  715.067   29.511  619.848   38.117 95.21844 48.20559 
1 1 1   -2    5   13 o  402.448   17.274  318.604   27.069  349.476   39.123  290.252   37.493  421.217   23.801  383.678   25.041 37.53946 34.54735 
1 1 1   -2    5   14 o  353.396   17.039  245.590   23.492  240.218   32.786  251.258   33.677  349.432   24.043  357.359   24.149 -7.926514 34.07743 
1 1 1   -2    5   15 o  478.341   22.606  448.037   39.054  441.405   46.899  463.037   70.533  473.733   25.369  482.948   37.425 -9.215332 45.21256 
1 1 1   -2    5   16 o  596.329   19.411  699.291   45.157  723.949   64.733  675.918   63.024  606.581   27.347  586.076   27.556 20.50500 38.82242 
1 1 1   -2    5   17 o  658.452   20.292  846.953   51.947  933.595   77.531  776.371   69.977  688.758   28.846  628.146   28.547 60.61255 40.58339 
1 1 1   -2    5   18 o  491.277   26.265  474.172   50.354   0.0000   0.0000  474.172   50.354  ?   ?   491.277   26.265      ?      ? 
1 1 1   -2    5   19 o  971.523   31.093  1895.45  111.596  1935.43  138.177  1820.47  189.246  989.549   35.782  953.498   50.860 36.05133 62.18599 
1 1 1   -2    5   20 o  567.277   19.923  624.734   43.687  760.202   65.787  517.863   58.432  621.727   27.115  512.827   29.198 108.9003 39.84611 
1 1 1   -2    5   21 o  616.993   20.356  750.369   48.968  785.435   69.188  715.173   69.315  631.589   28.072  602.397   29.486 29.19220 40.71157 
1 1 1   -2    5   22 o  571.867   19.724  641.135   43.870  608.718   59.176  680.692   65.368  556.013   27.273  587.721   28.501 -31.70850 39.44787 
1 1 1   -2    5   23 o  825.112   27.908  1352.46   84.795  1347.09  103.953  1363.14  146.586  825.364   32.274  824.861   45.539 0.5031738 55.81573 
1 1 1   -2    5   24 o  1156.88   40.980  2673.65  185.010   0.0000   0.0000  2673.65  185.010  ?   ?   1156.88   40.980      ?      ? 
1 1 1   -2    5   25 o  402.847   19.888  324.463   30.886  368.098   42.716  276.653   44.713  432.050   25.335  373.645   30.665 58.40460 39.77674 
1 1 1   -2    5   26 o  188.726   21.978   72.586   15.350   97.357   22.304   50.298   21.157  221.876   25.760  155.576   35.616 66.30017 43.95514 
1 1 1   -2    5   27 o  669.602   31.853  897.217   83.234   0.0000   0.0000  897.217   83.234  ?   ?   669.602   31.853      ?      ? 
1 1 1   -2    5   28 o  378.252   20.658  283.241   30.124  266.486   39.201  307.404   47.076  365.306   27.499  391.199   30.837 -25.89340 41.31680 
1 1 1   -2    5   29 o  161.395   25.263   54.503   15.457   62.849   23.126   47.763   20.781  172.689   35.502  150.101   35.951 22.58784 50.52571 
1 1 1   -2    5   30 o  237.455   24.482  107.687   21.704  143.268   38.104   90.599   26.407  263.766   37.019  211.144   32.049 52.62189 48.96453 
1 1 1   -2    5   31 o  417.196   39.899  299.915   39.759  278.931   41.619  519.059  134.497  371.483   28.709  462.908   74.454 -91.42493 79.79730 
1 1 1   -2    5   32 o  287.700   49.706  145.864   31.425  135.391   32.470  300.699  124.849  256.767   32.405  318.634   93.982 -61.86703 99.41148 
1 1 1   -2    5   33 o  350.775   21.823  253.835   29.792  254.008   40.714  253.636   43.711  351.623   29.671  349.928   32.009 1.695221 43.64594 
1 1 1   -2    5   34 o  356.823   21.926  264.880   30.375  297.127   43.307  233.657   42.614  379.428   29.248  334.217   32.673 45.21082 43.85165 
1 1 1   -2    5   35 o  254.102   24.626  136.471   24.364  124.624   33.817  149.258   35.131  242.092   35.795  266.113   33.830 -24.02068 49.25148 
1 1 1   -2    5   36 o  286.781   29.583  182.894   30.093  180.557   51.935  184.075   36.924  277.467   49.794  296.094   31.955 -18.62695 59.16559 
1 1 1   -2    6    1 o  796.752   92.282  1392.29  286.909  1372.08  404.009  1412.85  407.515  790.623  130.945  802.882  130.065 -12.25928 184.5631 
1 1 1   -2    6    2 f  882.617  103.578  1759.89  347.204  2032.19  514.924  1532.87  470.164  955.263  138.130  809.971  154.383 145.2931 207.1569 
1 1 1   -2    6    3 o  443.351   67.371  423.451  113.097  434.235  160.656  412.856  159.240  449.320   94.614  437.381   95.934 11.93896 134.7415 
1 1 1   -2    6    4 o  973.943  118.622  2281.01  441.775  2358.79  631.781  2206.60  617.976  998.901  162.074  948.986  173.255 49.91418 237.2447 
1 1 1   -2    6    5 o  268.037   53.203  151.370   57.928  151.340   81.942  151.400   81.903  268.013   75.255  268.061   75.226 -0.4779053E-01 106.4058 
1 1 1   -2    6    6 o  547.112   76.612  664.787  157.784  675.425  223.961  654.304  222.330  551.847  107.864  542.378  108.826 9.469299 153.2245 
1 1 1   -2    6    7 o  379.880   47.455  294.581   45.607  292.756   48.783  307.237  128.496  385.204   32.452  374.555   89.190 10.64963 94.91095 
1 1 1   -2    6    8 o  344.056   44.893  280.811   41.126  296.306   44.800  197.782  103.706  387.599   29.618  300.513   84.760 87.08569 89.78560 
1 1 1   -2    6    9 f  215.663   19.589   88.390   16.121  119.813   25.499   67.466   20.807  246.517   26.506  184.809   28.851 61.70767 39.17799 
1 1 1   -2    6   10 o  318.950   31.254  201.833   38.901   0.0000   0.0000  201.833   38.901  ?   ?   318.950   31.254      ?      ? 
1 1 1   -2    6   11 o  441.379   20.454  392.541   33.803  411.723   42.843  360.908   55.018  456.944   24.026  425.815   33.110 31.12897 40.90848 
1 1 1   -2    6   12 o  280.506   19.458  161.786   20.013  177.138   25.149  135.279   33.046  300.096   21.475  260.916   32.455 39.18021 38.91665 
1 1 1   -2    6   13 o  763.302   25.621  1179.05   74.711  1286.81   99.202  1037.85  113.561  806.080   31.536  720.525   40.388 85.55511 51.24156 
1 1 1   -2    6   14 o  639.191   23.608  815.713   56.804  836.431   72.006  781.576   92.431  651.317   28.330  627.065   37.772 24.25220 47.21564 
1 1 1   -2    6   15 o  626.602   24.648  777.639   56.387  778.938   68.638  774.942   98.893  628.968   27.964  624.236   40.596 4.732239 49.29553 
1 1 1   -2    6   16 o  1041.52   32.346  2180.42  124.825  2219.07  154.926  2108.90  210.744  1058.51   37.506  1024.53   52.711 33.98145 64.69240 
1 1 1   -2    6   17 o  899.078   29.286  1600.47   96.820  1616.77  167.998  1592.37  118.473  899.938   47.837  898.217   33.799 1.721252 58.57238 
1 1 1   -2    6   18 o  624.703   42.383  775.137  103.323   0.0000   0.0000  775.137  103.323  ?   ?   624.703   42.383      ?      ? 
1 1 1   -2    6   19 o  1264.24   37.491  3234.00  175.543  3291.82  217.871  3127.02  296.378  1286.38   43.401  1242.10   61.144 44.27319 74.98190 
1 1 1   -2    6   20 o  794.731   27.209  1241.39   79.040  1220.74   95.892  1285.14  139.594  786.712   31.235  802.749   44.561 -16.03741 54.41756 
1 1 1   -2    6   21 o  458.121   18.793  411.813   33.441  401.818   44.935  424.220   50.066  452.063   25.472  464.179   27.639 -12.11661 37.58613 
1 1 1   -2    6   22 o  912.480   29.832  1630.55   98.370  1582.16  117.840  1741.81  178.666  894.123   33.772  930.838   49.185 -36.71515 59.66393 
1 1 1   -2    6   23 o  490.967   19.734  477.087   37.625  499.645   51.540  451.349   55.052  503.738   26.218  478.197   29.501 25.54059 39.46773 
1 1 1   -2    6   24 f  787.299   33.748  1229.93  103.684   0.0000   0.0000  1229.93  103.684  ?   ?   787.299   33.748      ?      ? 
1 1 1   -2    6   25 f  211.805   20.605   89.336   16.888  102.335   23.866   76.298   23.901  227.557   26.875  196.052   31.240 31.50520 41.20943 
1 1 1   -2    6   26 o  278.069   19.822  154.861   21.303  172.069   29.412  135.872   30.896  294.863   25.560  261.275   30.302 33.58838 39.64299 
1 1 1   -2    6   27 o  550.704   21.040  607.949   44.914  690.158   63.736  526.854   63.303  588.654   27.746  512.755   31.636 75.89954 42.07910 
1 1 1   -2    6   28 o  383.691   20.650  298.939   30.509  335.116   41.825  257.801   44.602  409.846   26.151  357.535   31.967 52.31049 41.30072 
1 1 1   -2    6   29 o  209.120   27.195   90.368   21.138   96.507   34.336   86.622   26.823  211.848   43.002  206.393   33.302 5.455124 54.38923 
1 1 1   -2    6   30 o  683.805   35.767  960.313   95.442   0.0000   0.0000  960.313   95.442  ?   ?   683.805   35.767      ?      ? 
1 1 1   -2    6   31 o  350.506   53.932  276.524   39.895  271.144   41.387  347.157  149.955  365.930   28.982  335.081  103.897 30.84872 107.8634 
1 1 1   -2    6   32 o  381.207   22.012  297.607   32.482  295.185   43.244  300.742   49.203  380.583   29.117  381.830   33.021 -1.247223 44.02487 
1 1 1   -2    6   33 o  324.352   22.363  217.582   28.244  210.451   38.462  225.927   41.608  319.036   30.893  329.668   32.342 -10.63251 44.72575 
1 1 1   -2    6   34 o  285.447   24.486  170.527   27.071  144.447   36.638  201.880   40.172  260.738   36.008  310.156   33.191 -49.41797 48.97141 
1 1 1   -2    6   35 o  232.807   26.253  118.620   22.887  103.916   33.820  131.042   31.087  215.279   41.764  250.335   31.822 -35.05617 52.50563 
1 1 1   -2    6   36 o  291.157   32.656  198.968   32.623  175.846   57.280  210.069   39.689  266.430   56.826  315.885   32.196 -49.45517 65.31296 
1 1 1   -2    7    1 o  372.263   52.571  287.486   70.925  286.561   86.900  289.332  122.746  377.751   58.950  366.774   87.062 10.97751 105.1419 
1 1 1   -2    7    2 o  742.041   91.435  1237.81  259.069  1322.94  373.442  1158.82  359.702  774.131  123.617  709.951  134.762 64.18042 182.8709 
1 1 1   -2    7    3 o  160.304   39.073   47.079   29.704   52.313   42.163   41.922   41.853  165.786   55.442  154.821   55.072 10.96539 78.14539 
1 1 1   -2    7    4 o  234.892   49.046  114.322   48.291  130.162   68.971   99.087   67.638  248.788   68.752  220.996   69.967 27.79124 98.09289 
1 1 1   -2    7    5 o  245.671   50.992  126.770   52.102  122.965   73.537  130.604   73.831  242.375   72.284  248.966   71.943 -6.591110 101.9840 
1 1 1   -2    7    6 o  222.669   48.294  102.689   46.012  109.483   65.377   96.020   64.770  228.787   68.138  216.552   68.458 12.23526 96.58837 
1 1 1   -2    7    7 o  744.709  145.377  1398.20  407.326   0.0000   0.0000  1398.20  407.326  ?   ?   744.709  145.377      ?      ? 
1 1 1   -2    7    8 o  716.818   70.715  1109.96  118.052  1096.20  125.323  1218.30  351.717  738.869   43.464  694.767  134.586 44.10248 141.4303 
1 1 1   -2    7    9 o  351.165   45.606  264.034   41.955  264.929   45.206  258.473  112.666  365.304   31.711  337.027   85.523 28.27606 91.21269 
1 1 1   -2    7   10 o  141.451   32.538   37.555   17.973   36.813   20.216   40.353   39.259  133.690   37.323  149.212   53.310 -15.52159 65.07671 
1 1 1   -2    7   11 o  399.582   49.274  318.607   49.120  310.691   52.314  377.556  142.764  395.045   33.935  404.119   92.522 -9.074158 98.54884 
1 1 1   -2    7   12 o  518.209   21.535  546.101   42.315  647.299   57.520  426.742   62.469  573.033   25.722  463.384   34.546 109.6493 43.07006 
1 1 1   -2    7   13 o  273.957   19.510  151.281   19.571  158.376   24.183  137.816   33.316  283.995   21.821  263.918   32.348 20.07614 39.01991 
1 1 1   -2    7   14 o  428.166   20.812  350.342   32.953  328.598   40.050  395.918   57.983  408.831   25.103  447.502   33.203 -38.67087 41.62409 
1 1 1   -2    7   15 o  506.527   22.231  510.762   42.041  523.017   52.692  489.294   69.739  515.799   26.178  497.255   35.939 18.54440 44.46228 
1 1 1   -2    7   16 o  735.482   29.415  1067.93   84.169  970.397  114.368  1183.16  124.318  698.959   41.930  772.005   41.265 -73.04590 58.82945 
1 1 1   -2    7   17 o  721.890   30.431  1018.46   84.754  927.922  110.226  1149.40  132.562  683.811   41.306  759.968   44.698 -76.15692 60.86161 
1 1 1   -2    7   18 o  1152.08   35.772  2561.98  144.028  2449.13  167.966  2875.40  279.930  1111.93   38.709  1192.23   60.167 -80.30469 71.54321 
1 1 1   -2    7   19 o  888.502   28.689  1597.38   96.592  1717.08  125.623  1424.27  151.075  932.127   34.535  844.877   45.821 87.25018 57.37830 
1 1 1   -2    7   20 o  219.511   39.553   93.906   19.934   93.784   20.622   95.638   77.831  218.503   24.185  220.520   75.318 -2.017746 79.10604 
1 1 1   -2    7   21 o  402.051   25.193  317.843   39.527  317.843   39.527   0.0000   0.0000  402.051   25.193  ?   ?       ?      ? 
1 1 1   -2    7   22 o  794.342   23.014  1247.61   71.251  1242.93   98.281  1252.80  103.447  793.027   31.758  795.657   33.316 -2.630127 46.02758 
1 1 1   -2    7   23 o  416.224   24.583  334.032   38.455  379.294   65.280  309.979   47.588  436.467   38.326  395.981   30.796 40.48639 49.16611 
1 1 1   -2    7   24 o  779.903   33.884  1208.53  103.126   0.0000   0.0000  1208.53  103.126  ?   ?   779.903   33.884      ?      ? 
1 1 1   -2    7   25 o  517.933   21.280  532.153   42.483  529.803   55.849  535.380   65.447  517.267   27.668  518.599   32.339 -1.331665 42.55949 
1 1 1   -2    7   26 o  535.321   31.997  572.758   66.844   0.0000   0.0000  572.758   66.844  ?   ?   535.321   31.997      ?      ? 
1 1 1   -2    7   27 o  646.800   33.800  843.493   85.315   0.0000   0.0000  843.493   85.315  ?   ?   646.800   33.800      ?      ? 
1 1 1   -2    7   28 o  460.324   21.700  424.550   38.384  412.975   49.828  441.443   60.197  453.822   28.136  466.825   33.043 -13.00369 43.39924 
1 1 1   -2    7   29 o  305.816   24.981  193.662   29.363  174.172   43.971  209.348   39.448  290.281   38.816  321.351   31.456 -31.07062 49.96215 
1 1 1   -2    7   30 o  550.040   35.570  621.758   76.350   0.0000   0.0000  621.758   76.350  ?   ?   550.040   35.570      ?      ? 
1 1 1   -2    7   31 o  174.307   43.498   71.578   28.282   79.326   28.675 -205.1397  171.365  191.706   39.639  156.909   77.441 34.79657 86.99580 
1 1 1   -2    7   32 o  671.412   24.289  906.307   61.681  817.527   76.833  1067.24  103.446  630.320   31.236  712.503   37.204 -82.18304 48.57841 
1 1 1   -2    7   33 f  212.206   25.217   94.925   20.345  108.190   30.937   84.817   27.007  226.637   34.980  197.774   36.331 28.86301 50.43380 
1 1 1   -2    7   34 o  142.911   28.633   44.994   16.118   48.021   27.610   43.429   19.852  145.417   44.498  140.406   36.047 5.010513 57.26663 
1 1 1   -2    7   35 o  365.687   29.129  291.777   39.344  295.073   66.972  290.041   48.618  360.596   47.593  370.778   33.601 -10.18262 58.25901 
1 1 1   -2    7   36 o  216.492   34.968  124.142   27.952   78.344   52.866  141.913   32.932  173.861   61.890  259.124   32.567 -85.26331 69.93510 
1 1 1   -2    8    1 o  395.621   54.742  336.997   78.234  353.108   96.630  306.342  133.290  417.894   59.254  373.348   92.064 44.54568 109.4844 
1 1 1   -2    8    2 o  647.332  123.110  966.569  299.630   0.0000   0.0000  966.569  299.630  ?   ?   647.332  123.110      ?      ? 
1 1 1   -2    8    3 o  271.206   76.122  157.448   83.859   0.0000   0.0000  157.448   83.859  ?   ?   271.206   76.122      ?      ? 
1 1 1   -2    8    4 o  267.717   75.757  153.797   82.705   0.0000   0.0000  153.797   82.705  ?   ?   267.717   75.757      ?      ? 
1 1 1   -2    8    5 o  482.727  103.325  531.984  188.767   0.0000   0.0000  531.984  188.767  ?   ?   482.727  103.325      ?      ? 
1 1 1   -2    8    6 o  219.778   48.344  101.441   45.873  100.241   64.853  102.642   64.896  218.697   68.411  220.859   68.327 -2.162216 96.68845 
1 1 1   -2    8    7 o  540.302   81.009  707.203  165.505  697.629  233.364  716.891  234.760  536.115  114.991  544.489  114.134 -8.373596 162.0175 
1 1 1   -2    8    8 o  357.230   63.407  294.543   88.269  302.885  125.410  286.354  124.261  362.562   89.239  351.898   90.099 10.66391 126.8130 
1 1 1   -2    8    9 o  163.272   34.920   51.325   20.655   49.574   23.031   58.524   46.691  154.352   38.395  172.192   58.339 -17.84023 69.83995 
1 1 1   -2    8   10 o  363.852   47.502  268.074   44.691  262.767   47.848  304.363  125.116  363.384   33.742  364.320   88.809 -0.9359436 95.00314 
1 1 1   -2    8   11 o  807.736   79.949  1417.25  134.398  1395.72  140.738  1640.18  452.863  833.794   43.253  781.679  153.937 52.11566 159.8984 
1 1 1   -2    8   12 o  155.598   28.284   54.942   17.828   67.782   20.994   21.741   33.759  185.332   29.028  125.864   48.552 59.46804 56.56764 
1 1 1   -2    8   13 o  591.328   59.562  716.597   86.849  706.336   92.739  789.766  247.649  595.938   39.878  586.718  112.252 9.219604 119.1249 
1 1 1   -2    8   14 f  499.078   55.139  552.046   69.812  562.938   75.436  487.050  184.269  533.239   36.251  464.916  104.150 68.32285 110.2790 
1 1 1   -2    8   15 o  426.645   22.870  359.583   38.001  383.686   53.570  335.170   53.914  441.229   31.112  412.060   33.528 29.16898 45.73913 
1 1 1   -2    8   16 o  725.168   26.755  1013.59   68.846  977.230   81.195  1106.60  129.862  704.634   29.528  745.701   44.626 -41.06714 53.51037 
1 1 1   -2    8   17 o  439.915   27.750  383.778   46.581  385.047   59.988  381.851   73.926  441.546   34.814  438.284   43.223 3.262024 55.49963 
1 1 1   -2    8   18 o  1163.97   34.760  2614.44  143.988  2484.02  169.753  2948.94  271.861  1119.47   38.858  1208.47   57.647 -89.00085 69.52075 
1 1 1   -2    8   19 o  601.460   25.036  721.087   54.447  730.270   65.912  701.359   96.609  609.149   27.727  593.771   41.693 15.37738 50.07141 
1 1 1   -2    8   20 o  668.813   57.820  854.988   71.696  843.193   73.856  1047.84  298.638  654.117   28.933  683.510  111.962 -29.39313 115.6395 
1 1 1   -2    8   21 o  443.478   27.213  379.730   38.716  371.516   43.525  410.859   84.730  434.563   25.666  452.393   47.994 -17.83020 54.42606 
1 1 1   -2    8   22 o  288.679   38.249  167.867   38.767  161.799   46.184  182.341   71.327  284.713   41.567  292.645   64.220 -7.931122 76.49879 
1 1 1   -2    8   23 f  550.029   30.039  642.216   53.496  676.051   61.619  538.657  107.801  585.486   26.969  514.571   53.684 70.91498 60.07747 
1 1 1   -2    8   24 o  685.063   30.583  884.933   67.480  840.978   75.568  1057.93  149.916  651.503   29.723  718.623   53.458 -67.11926 61.16554 
1 1 1   -2    8   25 o  768.383   56.754  1231.03  170.178   0.0000   0.0000  1231.03  170.178  ?   ?   768.383   56.754      ?      ? 
1 1 1   -2    8   26 o  424.846   45.822  449.870   47.739  474.211   51.868  314.987  122.099  488.287   27.220  361.405   87.507 126.8813 91.64314 
1 1 1   -2    8   27 o  211.850   42.127  118.082   27.887  126.417   28.674 -27.5041  119.843  251.144   29.257  172.556   79.012 78.58855 84.25468 
1 1 1   -2    8   28 o  309.431   54.466  255.390   47.841  262.966   50.317  184.011  154.437  358.623   35.954  260.239  102.828 98.38385 108.9325 
1 1 1   -2    8   29 o  493.961   22.331  481.936   42.032  437.140   53.047  557.503   68.898  465.345   29.211  522.577   33.785 -57.23276 44.66223 
1 1 1   -2    8   30 o  132.145   41.873   20.102   21.627   24.044   21.901 -134.8212  137.298  112.657   39.863  151.632   73.649 -38.97530 83.74533 
1 1 1   -2    8   31 o  383.313   22.180  301.919   32.937  312.569   44.545  289.074   48.923  392.040   29.116  374.586   33.468 17.45459 44.36060 
1 1 1   -2    8   32 o  271.408   22.649  152.405   23.925  167.344   34.366  138.353   33.329  284.841   30.917  257.975   33.107 26.86526 45.29784 
1 1 1   -2    8   33 o  231.932   24.252  111.926   21.816  129.618   32.848   97.961   29.183  248.339   33.894  215.524   34.697 32.81570 48.50493 
1 1 1   -2    8   34 o  100.022   26.485   17.396   12.354   17.576   26.145   17.344   14.017  106.513   42.238   93.532   31.964 12.98087 52.96911 
1 1 1   -2    8   35 o  328.932   30.756  231.531   35.977  263.754   67.369  218.675   42.553  336.452   51.311  321.411   33.927 15.04147 61.51257 
1 1 1   -2    9    1 o  468.516   59.513  471.313   99.794  462.645  121.870  488.954  173.860  473.084   66.012  463.948   99.042 9.135834 119.0252 
1 1 1   -2    9    2 o  209.404   42.356   89.558   34.905   83.697   42.807  101.188   60.297  199.646   53.751  219.163   65.475 -19.51637 84.71222 
1 1 1   -2    9    3 o  298.599   57.114  197.390   68.161  199.257   96.474  195.530   96.315  300.006   80.660  297.193   80.884 2.812622 114.2289 
1 1 1   -2    9    4 o  425.258   68.150  415.680  110.623  464.789  159.698  370.379  153.383  451.723   93.667  398.794   99.015 52.92911 136.2991 
1 1 1   -2    9    5 o  310.943   58.271  217.405   71.989  237.039  102.854  198.549  100.794  324.969   81.305  296.917   83.497 28.05270 116.5429 
1 1 1   -2    9    6 o  383.066   65.848  341.337   97.476  338.337  137.676  344.352  138.029  381.225   93.301  384.907   92.944 -3.681458 131.6955 
1 1 1   -2    9    7 o  449.944   72.113  482.318  123.767  520.839  177.681  446.011  172.500  469.485  100.042  430.402  103.887 39.08371 144.2254 
1 1 1   -2    9    8 o  369.051   64.592  315.808   92.534  311.189  130.643  320.457  131.084  366.109   91.652  371.993   91.039 -5.884369 129.1830 
1 1 1   -2    9    9 f  174.384   41.888   59.383   34.084   64.662   48.604   54.274   47.811  179.671   59.506  169.097   58.971 10.57422 83.77620 
1 1 1   -2    9   10 o  292.192   42.609  168.917   35.306  164.639   38.260  193.453   91.633  288.022   34.039  296.361   78.124 -8.339233 85.21758 
1 1 1   -2    9   11 o  365.572   46.902  316.926   46.390  334.755   50.801  227.443  113.809  411.472   31.638  319.671   88.307 91.80072 93.80324 
1 1 1   -2    9   12 o  152.343   29.357   51.942   18.427   64.472   22.001   22.500   33.725  177.887   32.905  126.798   48.627 51.08842 58.71368 
1 1 1   -2    9   13 o  267.641   54.350  153.059   59.860  142.795   85.239  163.046   84.082  259.512   77.921  275.771   75.789 -16.25946 108.6998 
1 1 1   -2    9   14 o  896.953   45.216  1603.24  158.267  1603.24  158.267   0.0000   0.0000  896.953   45.216  ?   ?       ?      ? 
1 1 1   -2    9   15 o  251.199   23.888  123.828   23.417  123.828   23.417   0.0000   0.0000  251.199   23.888  ?   ?       ?      ? 
1 1 1   -2    9   16 o  375.370   46.939  323.594   36.993  330.649   38.800  253.115  122.630  410.450   24.224  340.289   90.699 70.16086 93.87842 
1 1 1   -2    9   17 o  216.327   69.334   94.695   66.264   0.0000   0.0000   94.695   66.264  ?   ?   216.327   69.334      ?      ? 
1 1 1   -2    9   18 o  502.821   25.164  510.777   44.412  525.497   52.847  475.383   81.947  517.006   26.193  488.637   42.975 28.36862 50.32806 
1 1 1   -2    9   19 o  229.294   35.679  158.215   24.652  177.124   26.111   3.0213   74.805  300.420   22.272  158.167   67.793 142.2524 71.35798 
1 1 1   -2    9   20 o  672.228   27.879  886.864   65.226  872.761   76.333  925.024  125.566  665.262   29.403  679.194   47.375 -13.93195 55.75725 
1 1 1   -2    9   21 o  671.769   32.092  851.810   81.106  718.762   99.768  1111.09  139.277  599.926   42.615  743.612   47.995 -143.6859 64.18413 
1 1 1   -2    9   22 o  434.891   33.155  369.478   53.398  347.129   65.063  415.594   93.461  417.116   39.971  452.665   52.908 -35.54971 66.30946 
1 1 1   -2    9   23 o  602.967   31.233  698.033   58.662  676.507   65.174  789.890  134.633  584.982   28.549  620.951   55.560 -35.96906 62.46594 
1 1 1   -2    9   24 o  604.453   33.114  703.399   60.246  681.222   66.257  809.250  144.752  586.093   28.969  622.814   59.557 -36.72095 66.22892 
1 1 1   -2    9   25 o  116.942   37.281   11.142   13.931   12.559   14.106 -44.8157   88.622   87.323   31.853  146.561   67.416 -59.23789 74.56226 
1 1 1   -2    9   26 o  310.634   44.414  167.942   30.224  159.025   31.416  278.819  110.779  282.176   28.530  339.092   84.121 -56.91656 88.82727 
1 1 1   -2    9   27 o  132.378   41.065   19.139   18.169   20.801   18.440 -36.1453  106.377  105.389   36.630  159.368   73.509 -53.97915 82.12951 
1 1 1   -2    9   28 o  326.155   50.665  270.291   39.356  274.830   41.305  225.568  129.652  369.431   28.651  282.880   97.196 86.55109 101.3310 
1 1 1   -2    9   29 o  430.541   55.479  462.570   51.079  465.144   53.681  437.931  166.078  480.109   28.651  380.973  107.194 99.13666 110.9573 
1 1 1   -2    9   30 o  284.264   51.829  214.836   37.962  218.232   39.252  165.736  149.263  327.406   30.722  241.123   99.001 86.28290 103.6584 
1 1 1   -2    9   31 f  174.108   40.070   78.635   28.685   89.060   29.541 -93.5788  120.070  202.916   38.718  145.300   70.166 57.61659 80.13945 
1 1 1   -2    9   32 o  234.046   46.929  156.477   34.703  161.628   35.600   58.103  155.581  278.497   32.757  189.594   87.957 88.90321 93.85889 
1 1 1   -2    9   33 o  429.444   36.919  458.098   48.678  498.144   57.004  350.258   93.545  490.535   29.778  368.352   67.566 122.1826 73.83757 
1 1 1   -2    9   34 o  153.620   43.102   43.091   44.645   86.575   54.329 -47.3264   78.343  183.522   62.926  123.717   58.919 59.80503 86.20443 
1 1 1   -2    9   35 o  292.196   43.712  287.273   44.560  325.242   49.069  108.690  106.419  393.234   31.976  191.159   81.367 202.0755 87.42484 
1 1 1   -2   10    1 o  305.564   50.068  199.764   55.851  189.747   68.088  220.367   97.649  297.777   60.653  313.351   79.677 -15.57407 100.1358 
1 1 1   -2   10    2 o  765.404   90.646  1474.16  244.633  1481.02  300.362  1460.65  421.623  808.675   95.179  722.133  154.298 86.54156 181.2920 
1 1 1   -2   10    3 o   77.645   22.071   5.5758   10.063   4.4796   13.000   7.2147   15.896   72.705   29.456   82.586   32.876 -9.880875 44.14187 
1 1 1   -2   10    4 o  444.650   70.938  467.818  120.322  525.568  174.075  414.984  166.500  473.949   97.375  415.352  103.184 58.59744 141.8757 
1 1 1   -2   10    5 o  493.667   76.775  590.909  143.918  630.121  206.362  553.778  200.814  511.742  106.787  475.592  110.335 36.15048 153.5491 
1 1 1   -2   10    6 o  273.287   54.845  166.375   61.268  176.384   87.128  156.584   86.171  281.130   77.103  265.444   78.018 15.68604 109.6891 
1 1 1   -2   10    7 o  380.973   65.074  333.775   95.730  355.998  136.761  312.426  134.045  394.414   90.742  367.531   93.296 26.88220 130.1472 
1 1 1   -2   10    8 o  356.200   62.731  287.152   86.878  290.280  123.081  284.047  122.649  358.237   88.547  354.162   88.883 4.074585 125.4623 
1 1 1   -2   10    9 o  340.342   60.965  258.142   81.063  258.188  114.717  258.095  114.565  340.357   86.260  340.327   86.175 0.3002930E-01 121.9300 
1 1 1   -2   10   10 f  184.092   42.815   66.553   35.804   78.271   51.367   55.481   49.932  195.543   60.838  172.641   60.261 22.90219 85.63065 
1 1 1   -2   10   11 o  989.446  145.775  2873.02  544.504  3004.48  782.239  2749.45  758.404  1015.00  204.556  963.893  207.745 51.10541 291.5494 
1 1 1   -2   10   12 o  254.794   38.727  148.747   31.779  161.265   35.846  102.777   68.691  285.875   32.132  223.713   70.475 62.16173 77.45470 
1 1 1   -2   10   13 o  360.438   33.327  256.407   46.877  256.407   46.877   0.0000   0.0000  360.438   33.327  ?   ?       ?      ? 
1 1 1   -2   10   14 o  1186.78   54.622  2830.34  252.969  2830.34  252.969   0.0000   0.0000  1186.78   54.622  ?   ?       ?      ? 
1 1 1   -2   10   15 o  271.631   41.269  158.360   35.188  163.431   39.267  137.684   79.294  287.655   34.980  255.607   74.758 32.04793 82.53712 
1 1 1   -2   10   16 o  697.108   68.237  1164.27   89.845  1188.26   93.850  901.067  310.880  776.542   30.970  617.673  132.914 158.8690 136.4740 
1 1 1   -2   10   17 o  386.500   92.170  329.623  137.064   0.0000   0.0000  329.623  137.064  ?   ?   386.500   92.170      ?      ? 
1 1 1   -2   10   18 o  661.967   63.160  935.102   77.088  934.533   79.894  942.766  293.401  688.540   29.734  635.394  122.771 53.14581 126.3205 
1 1 1   -2   10   19 o  627.199   59.872  794.368   68.992  787.364   71.327  896.099  271.842  632.018   28.920  622.380  116.199 9.637817 119.7438 
1 1 1   -2   10   20 o  714.323   72.217  1220.18  131.439  1263.22  143.382  993.637  328.945  793.843   46.284  634.804  136.818 159.0385 144.4346 
1 1 1   -2   10   21 o  462.311   57.450  571.558   54.743  597.639   57.616  329.404  175.562  550.736   26.808  373.886  111.729 176.8503 114.9006 
1 1 1   -2   10   22 o  668.867   31.331  833.524   65.212  793.158   72.151  1013.61  152.396  633.437   29.188  704.298   55.448 -70.86133 62.66126 
1 1 1   -2   10   23 o  739.111   32.657  925.741   70.756  844.422   76.446  1411.84  186.905  652.518   30.021  825.703   58.005 -173.1848 65.31342 
1 1 1   -2   10   24 f  459.622   37.214  398.050   44.509  385.084   47.415  494.229  129.136  440.568   27.578  478.676   69.131 -38.10849 74.42893 
1 1 1   -2   10   25 o  348.511   44.122  226.782   35.592  217.198   37.374  320.150  116.647  329.939   29.027  367.084   83.334 -37.14496 88.24451 
1 1 1   -2   10   26 o  250.318   47.731  143.853   33.843  145.986   35.444  121.822  113.909  268.624   33.811  232.012   89.273 36.61215 95.46117 
1 1 1   -2   10   27 o  190.793   47.996   47.996   19.241   45.415   19.522  135.653  113.767  146.538   34.678  235.048   89.509 -88.51009 95.99143 
1 1 1   -2   10   28 o  181.083   49.848   47.396   20.874   46.558   21.103   85.313  141.948  147.687   36.761  214.480   92.671 -66.79247 99.69590 
1 1 1   -2   10   29 o  159.442   37.612   61.054   25.219   71.338   26.137 -77.6113   95.978  182.649   37.911  136.236   64.973 46.41281 75.22477 
1 1 1   -2   10   30 o  192.178   41.688   87.715   27.468   91.240   28.931   55.482   87.484  206.711   37.234  177.645   74.599 29.06595 83.37538 
1 1 1   -2   10   31 o  193.281   48.345   84.872   28.721   86.920   29.124   12.403  173.229  199.736   38.762  186.826   88.580 12.90967 96.69010 
1 1 1   -2   10   32 f  180.928   41.122   78.757   27.439   80.727   29.228   64.124   79.661  190.390   40.579  171.467   71.536 18.92241 82.24412 
1 1 1   -2   10   33 f  166.126   37.743   74.004   29.596   88.900   31.794 -22.6868   81.005  198.561   42.325  133.692   62.504 64.86896 75.48631 
1 1 1   -2   10   34 o  238.084   41.915  158.693   56.572  273.372   71.088 -39.3577   93.420  340.488   53.501  135.680   64.539 204.8082 83.83083 
1 1 1   -2   10   35 o  222.027   48.731   54.008   30.259   30.976   31.510  326.831  108.450  124.100   47.143  319.953   85.301 -195.8528 97.46170 
1 1 1   -2   11    1 o  177.992   39.549   64.735   29.644   65.083   36.457   64.056   50.928  176.296   50.441  179.688   60.928 -3.391739 79.09811 
1 1 1   -2   11    2 o  272.627   48.065  161.701   49.087  161.264   60.275  162.563   84.586  274.824   58.023  270.430   76.645 4.394012 96.13056 
1 1 1   -2   11    3 o  452.455   60.657  472.787   98.573  512.560  122.861  400.930  165.141  495.387   63.553  409.523  103.335 85.86356 121.3142 
1 1 1   -2   11    4 o  256.269   52.972  143.904   56.316  143.249   79.581  144.562   79.704  255.727   74.922  256.811   74.906 -1.083878 105.9445 
1 1 1   -2   11    5 o  486.542   74.277  555.457  136.954  611.353  197.662  503.846  189.934  512.819  102.356  460.265  107.663 52.55481 148.5534 
1 1 1   -2   11    6 o  179.185   42.626   62.994   35.265   66.291   49.982   59.726   49.763  182.432   60.340  175.937   60.225 6.494934 85.25179 
1 1 1   -2   11    7 o  563.652   80.579  743.971  171.080  819.925  247.699  674.689  236.571  594.367  110.870  532.937  116.961 61.42999 161.1581 
1 1 1   -2   11    8 o  104.725   28.631   14.165   16.692   18.041   23.734   10.372   23.480  109.453   41.063   99.997   39.909 9.456291 57.26168 
1 1 1   -2   11    9 o  461.692   70.815  479.413  123.916  484.426  175.621  474.443  174.870  464.311   99.888  459.073  100.407 5.237946 141.6306 
1 1 1   -2   11   10 o  652.383  125.255  995.310  307.289  995.310  307.289   0.0000   0.0000  652.383  125.255  ?   ?       ?      ? 
1 1 1   -2   11   11 o  298.646   80.701  192.480   96.285  192.480   96.285   0.0000   0.0000  298.646   80.701  ?   ?       ?      ? 
1 1 1   -2   11   12 o  709.443   63.030  992.916  105.406  975.464  111.073  1150.96  334.257  701.193   40.592  717.693  119.347 -16.49988 126.0609 
1 1 1   -2   11   13 o  553.972   55.169  635.193   77.224  632.802   82.945  650.753  211.594  565.510   37.585  542.434  103.740 23.07593 110.3389 
1 1 1   -2   11   14 o  1034.87   51.191  2144.67  206.735  2144.67  206.735   0.0000   0.0000  1034.87   51.191  ?   ?       ?      ? 
1 1 1   -2   11   15 o  478.402   50.139  449.287   62.765  439.053   67.508  514.526  170.446  471.080   36.722  485.724   93.313 -14.64450 100.2789 
1 1 1   -2   11   16 o  454.793   46.748  404.418   58.828  393.407   63.961  464.875  149.873  445.734   36.771  463.852   85.962 -18.11804 93.49681 
1 1 1   -2   11   17 o  1033.45  224.643  3315.03  880.116   0.0000   0.0000  3315.03  880.116  ?   ?   1033.45  224.643      ?      ? 
1 1 1   -2   11   18 o  717.784   69.427  1078.04  122.477  1061.28  130.833  1196.86  348.309  728.174   46.041  707.394  130.999 20.77985 138.8542 
1 1 1   -2   11   19 o  820.692  162.826  1771.80  503.070   0.0000   0.0000  1771.80  503.070  ?   ?   820.692  162.826      ?      ? 
1 1 1   -2   11   20 o  411.209   49.659  340.443   42.185  337.214   43.970  377.820  149.607  413.660   27.238  408.758   95.510 4.902222 99.31805 
1 1 1   -2   11   21 o  290.334   44.469  147.795   28.530  142.238   29.642  217.733  105.152  268.397   28.301  312.271   84.315 -43.87396 88.93829 
1 1 1   -2   11   22 o  495.505   57.272  519.366   54.401  516.199   56.449  560.647  203.819  510.800   28.319  480.209  110.988 30.59076 114.5438 
1 1 1   -2   11   24 o  331.633   55.321  257.324   45.617  259.419   47.815  236.093  152.204  359.401   34.092  303.866  105.259 55.53482 110.6425 
1 1 1   -2   11   25 o  326.668   56.125  299.227   50.286  312.078   52.527  158.187  174.016  392.982   34.251  260.354  106.896 132.6280 112.2494 
1 1 1   -2   11   26 o  252.397   57.477   89.111   24.862   85.232   25.130  268.464  170.876  205.441   31.345  299.354  110.597 -93.91322 114.9531 
1 1 1   -2   11   27 o  628.660   86.823  1001.10  213.001   0.0000   0.0000  1001.10  213.001  ?   ?   628.660   86.823      ?      ? 
1 1 1   -2   11   28 o  265.026   49.291  146.509   30.364  143.210   31.360  196.011  121.459  265.861   30.226  264.191   93.834 1.669769 98.58170 
1 1 1   -2   11   29 o  215.226   40.451  119.957   28.938  127.854   30.758   59.099   85.384  250.282   31.492  180.170   74.520 70.11241 80.90102 
1 1 1   -2   11   30 o  292.658   53.220  270.637   42.678  277.272   43.509  101.900  219.402  367.900   30.305  217.416  102.034 150.4839 106.4394 
1 1 1   -2   11   31 o  269.050   41.450  232.598   38.842  264.109   42.458   70.913   96.177  357.552   30.429  180.548   77.114 177.0043 82.90022 
1 1 1   -2   11   32 o  365.168   46.993  402.991   49.291  447.283   55.350  233.258  108.353  464.120   30.560  266.215   88.878 197.9049 93.98519 
1 1 1   -2   11   33 o  153.322   47.335   35.638   52.659   46.774   64.262   12.876   91.874  154.766   64.383  151.877   69.408 2.888641 94.67060 
1 1 1   -2   11   34 o  225.011   37.640  172.473   38.314  204.344   40.893 -56.6065  109.632  310.504   33.748  139.517   67.291 170.9866 75.27991 
1 1 1   -2   12    1 o  247.867   45.963  132.482   43.610  136.358   53.609  124.898   74.981  254.138   55.601  241.596   73.204 12.54118 91.92556 
1 1 1   -2   12    2 o  242.894   45.313  122.835   41.730  116.011   51.010  136.643   72.560  234.054   56.493  251.733   70.862 -17.67834 90.62504 
1 1 1   -2   12    3 o  118.820   30.915   22.734   18.425   22.468   23.296   23.180   30.107  114.536   41.050  123.103   46.236 -8.567039 61.82965 
1 1 1   -2   12    4 o  251.205   46.644  136.029   45.124  141.196   55.922  126.387   76.393  258.744   56.929  243.667   73.903 15.07637 93.28739 
1 1 1   -2   12    5 o  479.013  102.910  523.107  186.636  523.107  186.636   0.0000   0.0000  479.013  102.910  ?   ?       ?      ? 
1 1 1   -2   12    6 o  897.527  180.485  2219.54  610.239  2219.54  610.239   0.0000   0.0000  897.527  180.485  ?   ?       ?      ? 
1 1 1   -2   12    8 o  303.689   80.927  200.003   97.641  200.003   97.641   0.0000   0.0000  303.689   80.927  ?   ?       ?      ? 
1 1 1   -2   12    9 o  482.337   71.564  517.321  130.414  560.623  187.509  476.747  181.505  503.600   98.942  461.075  103.423 42.52466 143.1282 
1 1 1   -2   12   10 o  287.126   55.677  176.739   64.301  168.016   90.732  185.540   91.139  280.277   79.361  293.975   78.113 -13.69849 111.3545 
1 1 1   -2   12   11 o  747.946   94.053  1291.78  268.259  1423.91  390.683  1173.92  368.997  792.978  126.250  702.915  139.444 90.06287 188.1053 
1 1 1   -2   12   12 o  338.899   60.846  249.504   80.654  239.811  114.625  259.008  113.508  332.100   87.296  345.698   84.784 -13.59814 121.6923 
1 1 1   -2   12   13 o  454.976   51.151  412.603   62.639  404.625   67.789  459.218  163.848  452.018   38.430  457.935   94.809 -5.916779 102.3014 
1 1 1   -2   12   14 o  818.967   79.867  1637.23  155.767  1698.45  168.154  1267.04  413.505  922.486   46.711  715.448  152.752 207.0384 159.7342 
1 1 1   -2   12   15 f  426.881   47.600  387.937   58.647  393.628   65.087  363.376  135.214  445.708   37.421  408.054   87.536 37.65466 95.19921 
1 1 1   -2   12   16 o  217.044   44.577   99.736   40.345  114.253   52.911   79.572   62.361  232.973   58.330  201.115   67.425 31.85828 89.15428 
1 1 1   -2   12   17 o  774.680  149.991  1509.49  437.053   0.0000   0.0000  1509.49  437.053  ?   ?   774.680  149.991      ?      ? 
1 1 1   -2   12   18 o  259.755   63.177  132.448   71.607  152.990  136.609  124.665   84.085  275.497   99.333  244.013   78.092 31.48399 126.3545 
1 1 1   -2   12   19 o  725.420   59.659  960.004   80.760  937.988   83.101  1334.31  342.649  688.944   30.909  761.895  115.245 -72.95099 119.3182 
1 1 1   -2   12   20 o  696.146   57.600  867.784   75.917  844.494   78.145  1258.85  320.215  653.377   30.648  738.915  111.049 -85.53857 115.2007 
1 1 1   -2   12   21 o  427.675   54.149  400.102   47.330  400.770   49.367  392.508  166.491  450.207   28.099  405.144  104.589 45.06250 108.2979 
1 1 1   -2   12   22 o  183.803   42.826   60.315   19.567   60.819   19.978   48.432   96.933  172.441   30.819  195.165   79.916 -22.72336 85.65231 
1 1 1   -2   12   23 o  247.396   48.563   67.926   23.180   60.406   23.642  254.785  117.854  170.138   36.687  324.654   89.932 -154.5158 97.12695 
1 1 1   -2   12   24 o  121.401   41.999   2.5161   10.844   2.5625   10.894  -2.4990  113.288   64.528   26.648  178.275   79.660 -113.7470 83.99876 
1 1 1   -2   12   25 o  328.126   56.252  304.840   41.545  311.780   42.636  174.460  184.807  394.590   27.689  261.661  109.044 132.9288 112.5046 
1 1 1   -2   12   26 o  516.090   28.945  536.482   58.294  536.482   58.294   0.0000   0.0000  516.090   28.945  ?   ?       ?      ? 
1 1 1   -2   12   27 o  160.755   36.178   55.024   22.148   55.024   22.148   0.0000   0.0000  160.755   36.178  ?   ?       ?      ? 
1 1 1   -2   12   28 o  294.727   55.639  248.255   39.889  252.387   40.598  133.018  214.396  352.884   29.481  236.570  107.301 116.3133 111.2774 
1 1 1   -2   12   29 o  353.931   61.376  392.512   50.417  396.099   51.466  307.214  250.958  440.628   29.931  267.235  119.048 173.3923 122.7527 
1 1 1   -2   12   30 o  177.527   52.238   47.840   22.411   46.985   22.570  107.754  188.947  146.019   38.907  209.035   96.960 -63.01617 104.4751 
1 1 1   -2   12   31 o  249.142   48.106  186.788   37.082  192.060   38.026   84.493  167.493  303.411   32.115  194.872   90.694 108.5396 96.21228 
1 1 1   -2   12   32 o  178.300   53.446   75.299   66.335  102.368   75.465 -16.7065  139.127  193.146   73.056  163.453   78.029 29.69341 106.8911 
1 1 1   -2   12   33 o  182.348   43.943   87.378   30.283   92.679   30.900 -41.3966  152.298  203.595   40.319  161.102   78.092 42.49240 87.88577 
1 1 1   -2   12   34 o  185.214   50.598   63.913   30.301   56.683   31.258  176.592  123.398  154.699   47.348  215.729   89.436 -61.03004 101.1960 
1 1 1   -2   13    1 o  276.339   48.408  166.316   50.356  175.974   61.892  147.404   86.610  290.174   56.690  262.504   78.483 27.67026 96.81563 
1 1 1   -2   13    2 o  1018.75  112.550  2588.35  402.041  2511.32  487.667  2751.80  710.338  1048.42  119.194  989.070  190.953 59.35260 225.1004 
1 1 1   -2   13    3 o  192.038   41.062   75.881   32.588   79.005   40.319   69.997   55.343  194.723   52.056  189.354   63.518 5.368423 82.12378 
1 1 1   -2   13    4 o  630.815   71.152  888.879  159.655  922.750  198.056  826.025  269.796  665.663   76.243  595.966  120.155 69.69678 142.3033 
1 1 1   -2   13    5 o  525.402   64.893  622.730  121.311  687.498  152.229  510.033  200.805  578.993   67.374  471.810  110.929 107.1830 129.7868 
1 1 1   -2   13    6 o  380.933   63.748  318.905   93.295  326.515  132.431  311.406  131.452  385.694   89.684  376.171   90.621 9.523010 127.4965 
1 1 1   -2   13    7 o  900.447  115.187  2026.37  395.557  2247.26  579.122  1833.20  541.567  958.409  154.842  842.485  170.576 115.9243 230.3733 
1 1 1   -2   13    8 o  565.664   74.839  699.211  161.114  830.003  237.928  588.451  218.952  622.340   97.969  508.987  113.163 113.3523 149.6785 
1 1 1   -2   13    9 o  474.997   70.941  498.379  127.379  532.999  182.743  465.663  177.646  492.328   98.555  457.666  102.065 34.66165 141.8814 
1 1 1   -2   13   10 o  165.509   40.218   49.324   31.642   64.892   46.778   36.193   42.961  181.090   58.277  149.927   55.442 31.16339 80.43652 
1 1 1   -2   13   11 o  447.208   69.077  440.713  117.229  409.072  164.245  473.571  167.372  429.408   99.896  465.007   95.433 -35.59940 138.1547 
1 1 1   -2   13   12 o  903.824  120.490  2088.71  409.388  2101.98  580.543  2075.59  577.395  906.869  170.297  900.779  170.501 6.089783 240.9803 
1 1 1   -2   13   13 o  110.046   31.716   8.4233   19.834   17.832   36.604   4.5124   23.599  125.979   49.971   94.112   39.072 31.86691 63.43299 
1 1 1   -2   13   14 o  202.222   47.185   80.504   43.214   71.241   58.927   91.281   63.563  192.396   65.537  212.048   67.900 -19.65266 94.36962 
1 1 1   -2   13   15 o  524.553   58.406  607.252   90.703  622.119  101.838  550.198  199.496  557.497   46.810  491.609  107.024 65.88693 116.8129 
1 1 1   -2   13   16 o  579.150   59.501  638.099   90.694  607.696   97.254  840.918  251.192  551.194   45.214  607.105  110.079 -55.91138 119.0027 
1 1 1   -2   13   17 o  856.532   80.440  1544.21  154.285  1512.90  162.635  1825.78  487.772  867.893   48.019  845.172  153.546 22.72113 160.8795 
1 1 1   -2   13   18 o  360.369   71.950  303.361  106.572  250.702  165.396  340.746  139.358  331.732  109.766  389.005   93.051 -57.27286 143.8997 
1 1 1   -2   13   19 o  740.862   73.006  1304.71  139.806  1338.79  152.744  1128.70  347.104  814.566   48.052  667.158  137.880 147.4080 146.0128 
1 1 1   -2   13   20 o  962.307   78.156  1592.16  118.453  1540.35  120.667  2965.53  621.241  879.383   35.162  1045.23  152.306 -165.8477 156.3120 
1 1 1   -2   13   21 o  212.966   45.121   80.064   24.593   78.562   25.393  102.814   98.803  198.540   32.774  227.393   84.081 -28.85286 90.24279 
1 1 1   -2   13   22 f  156.154   43.367   26.896   15.717   25.871   15.939   63.029   94.617  112.837   33.653  199.471   79.939 -86.63429 86.73329 
1 1 1   -2   13   23 o  463.348   62.761  508.762   55.624  508.011   57.633  518.974  212.540  504.177   29.292  422.519  122.056 81.65793 125.5217 
1 1 1   -2   13   24 o  270.877   50.664  193.666   33.508  198.820   34.317   88.163  155.263  315.154   27.903  226.600   97.411 88.55354 101.3287 
1 1 1   -2   13   25 o  626.964   30.700  794.263   75.112  794.263   75.112   0.0000   0.0000  626.964   30.700  ?   ?       ?      ? 
1 1 1   -2   13   26 o  175.687   51.639   41.655   20.495   41.584   20.637   46.744  174.572  139.626   37.204  211.748   96.343 -72.12225 103.2770 
1 1 1   -2   13   27 o  207.061   51.643   82.792   24.924   83.595   25.129   34.326  195.265  202.592   31.785  211.530   98.273 -8.937607 103.2850 
1 1 1   -2   13   28 o  155.708   54.188   12.899   16.088   12.413   16.135   96.669  211.745   88.983   33.751  222.432  102.987 -133.4494 108.3762 
1 1 1   -2   13   29 o  293.925   53.090  285.457   43.770  292.328   44.429   58.880  255.117  377.345   30.171  210.505  101.803 166.8403 106.1802 
1 1 1   -2   13   30 o  254.790   55.443  169.081   34.508  168.146   34.853  215.681  245.964  284.557   31.386  225.023  106.352 59.53413 110.8863 
1 1 1   -2   13   31 o  169.595   55.910   38.217   61.315   40.363   63.721   11.405  225.245  151.163   63.582  188.027   91.982 -36.86372 111.8190 
1 1 1   -2   13   32 o  371.838   61.418  571.929  100.398  616.297  108.976  322.897  258.180  510.080   54.747  233.596  109.961 276.4840 122.8358 
1 1 1   -2   13   33 o  239.754   45.382  188.126   38.575  196.914   39.526   12.013  176.935  305.043   33.204  174.465   84.472 130.5783 90.76373 
1 1 1   -2   14    1 o  308.565   51.087  208.075   58.303  221.342   71.608  181.984  100.418  326.505   58.341  290.626   83.880 35.87903 102.1741 
1 1 1   -2   14    2 o  373.758   53.765  304.271   73.222  327.429   90.886  261.437  123.605  402.546   57.856  344.970   90.638 57.57520 107.5290 
1 1 1   -2   14    3 o  208.406   43.540   87.957   36.578   84.190   45.206   95.099   62.246  201.326   55.671  215.486   66.959 -14.16013 87.07963 
1 1 1   -2   14    4 o  765.230   77.117  1264.69  215.802  1230.08  262.609  1336.68  378.713  763.911   88.092  766.548  126.602 -2.637207 154.2339 
1 1 1   -2   14    5 o  440.242   58.527  423.564   93.223  455.773  116.789  367.006  154.763  473.777   63.168  406.708   98.546 67.06857 117.0532 
1 1 1   -2   14    6 o  533.871   62.023  591.173  119.413  559.516  145.947  655.282  207.693  522.158   71.624  545.584  101.279 -23.42578 124.0464 
1 1 1   -2   14    7 f  321.456   48.567  205.220   61.845  105.313   81.074  344.265   95.646  230.072   76.880  412.841   59.368 -182.7691 97.13435 
1 1 1   -2   14    8 o  902.907  119.068  2060.29  404.100  2076.80  573.158  2043.98  569.823  906.881  168.146  898.932  168.630 7.948303 238.1368 
1 1 1   -2   14    9 o  361.400   62.448  284.764   87.325  278.576  123.710  290.910  123.284  357.224   89.054  365.575   87.569 -8.351654 124.8958 
1 1 1   -2   14   10 o  802.047   99.673  1507.10  303.468  1290.52  409.892  1769.81  451.448  726.920  149.486  877.175  131.883 -150.2546 199.3469 
1 1 1   -2   14   11 o  441.228   97.377  431.206  163.177   0.0000   0.0000  431.206  163.177  ?   ?   441.228   97.377      ?      ? 
1 1 1   -2   14   12 o  471.923  101.365  498.059  181.108   0.0000   0.0000  498.059  181.108  ?   ?   471.923  101.365      ?      ? 
1 1 1   -2   14   13 o  466.468  104.135  492.095  184.762  492.095  184.762   0.0000   0.0000  466.468  104.135  ?   ?       ?      ? 
1 1 1   -2   14   14 o  468.553   69.240  481.444  125.230  347.379  170.072  640.219  185.083  388.430  108.189  548.675   86.441 -160.2444 138.4805 
1 1 1   -2   14   15 o  751.749   71.611  1188.20  133.323  1167.84  142.600  1329.51  375.757  762.815   47.904  740.683  134.973 22.13165 143.2218 
1 1 1   -2   14   16 o  574.479   61.849  691.242  100.551  679.247  110.435  749.394  243.162  581.185   48.692  567.773  113.711 13.41278 123.6976 
1 1 1   -2   14   17 o  190.599   47.952   67.501   44.910   63.083   63.890   71.816   63.141  187.239   67.867  193.958   67.761 -6.719315 95.90353 
1 1 1   -2   14   18 o  698.733  103.967  1278.18  274.830  1106.81  381.380  1463.29  396.393  638.138  154.745  759.329  138.890 -121.1917 207.9332 
1 1 1   -2   14   19 o  239.541   54.030  121.641   59.491  165.969   82.349   73.255   86.037  273.955   74.886  205.127   77.905 68.82791 108.0608 
1 1 1   -2   14   20 o  618.690  108.813  1145.76  265.863  949.619  380.199  1333.43  371.910  542.699  164.930  694.681  141.983 -151.9823 217.6264 
1 1 1   -2   14   21 o  191.059   30.104   72.757   22.445   72.757   22.445   0.0000   0.0000  191.059   30.104  ?   ?       ?      ? 
1 1 1   -2   14   22 o  584.110   30.016  682.555   68.420  682.555   68.420   0.0000   0.0000  584.110   30.016  ?   ?       ?      ? 
1 1 1   -2   14   23 o  380.409   29.135  290.242   43.251  290.242   43.251   0.0000   0.0000  380.409   29.135  ?   ?       ?      ? 
1 1 1   -2   14   24 o  195.782   32.277   77.695   24.660   77.695   24.660   0.0000   0.0000  195.782   32.277  ?   ?       ?      ? 
1 1 1   -2   14   25 o  125.246   43.665   6.8381   12.575   7.2626   12.624 -47.3229  142.581   75.429   29.524  175.063   82.188 -99.63388 87.33036 
1 1 1   -2   14   26 o  320.200   59.704  267.576   40.322  267.790   41.084  261.971  210.374  364.017   28.921  276.382  115.853 87.63550 119.4080 
1 1 1   -2   14   27 o  476.767   76.045  674.631   67.189  669.411   68.708  788.873  321.400  573.087   30.722  380.448  148.955 192.6385 152.0905 
1 1 1   -2   14   28 o  240.376   50.570  160.927   34.512  165.087   34.887 -29.5105  236.048  283.220   31.565  197.533   96.088 85.68617 101.1399 
1 1 1   -2   14   29 o  260.976   54.840  182.286   34.526  181.916   34.912  198.764  232.957  296.911   30.131  225.042  105.461 71.86885 109.6810 
1 1 1   -2   14   30 o  173.161   59.275   8.7440   61.853  -5.6911   64.171  197.803  232.235  128.067   58.324  218.255  103.211 -90.18820 118.5502 
1 1 1   -2   14   31 f  207.561   56.816   76.169   25.302   73.701   25.454  280.211  231.465  183.210   36.879  231.911  107.481 -48.70093 113.6321 
1 1 1   -2   14   32 o  193.175   51.547   74.071   27.042   71.780   27.386  163.501  171.093  178.441   40.283  207.909   94.898 -29.46785 103.0939 
1 1 1   -2   15    1 o  423.154   57.586  395.829   87.546  434.911  108.822  324.133  147.393  463.815   60.123  382.492   98.233 81.32376 115.1718 
1 1 1   -2   15    2 o  552.644   64.814  651.418  127.770  647.529  156.445  659.209  221.420  561.974   71.337  543.315  108.234 18.65936 129.6280 
1 1 1   -2   15    3 o  736.002   73.764  1136.60  198.546  1071.92  239.756  1277.77  354.196  715.310   85.890  756.695  119.948 -41.38507 147.5281 
1 1 1   -2   15    4 o  898.493  167.561  2036.22  565.904   0.0000   0.0000  2036.22  565.904  ?   ?   898.493  167.561      ?      ? 
1 1 1   -2   15    5 o  429.354   95.929  405.482  156.679   0.0000   0.0000  405.482  156.679  ?   ?   429.354   95.929      ?      ? 
1 1 1   -2   15    6 o  368.004   88.956  295.508  126.336   0.0000   0.0000  295.508  126.336  ?   ?   368.004   88.956      ?      ? 
1 1 1   -2   15    7 o  474.841   72.623  499.635  134.009  373.874  188.728  627.522  190.317  404.433  114.437  545.249   89.444 -140.8163 145.2450 
1 1 1   -2   15    8 o  383.808   90.807  323.053  133.884   0.0000   0.0000  323.053  133.884  ?   ?   383.808   90.807      ?      ? 
1 1 1   -2   15    9 o  701.823   90.325  1137.48  242.010  1046.90  335.171  1236.15  349.807  664.112  133.950  739.535  121.210 -75.42334 180.6501 
1 1 1   -2   15   10 o  377.290   90.430  313.656  131.409   0.0000   0.0000  313.656  131.409  ?   ?   377.290   90.430      ?      ? 
1 1 1   -2   15   11 o  321.093   47.295  194.724   63.943   48.567   82.642  412.749  100.936  190.732   75.266  451.453   57.293 -260.7213 94.59092 
1 1 1   -2   15   12 o  491.751   70.622  531.131  133.147  396.763  180.506  691.494  197.194  414.378  109.847  569.124   88.788 -154.7455 141.2438 
1 1 1   -2   15   13 o  620.042  125.529  913.264  293.317  913.264  293.317   0.0000   0.0000  620.042  125.529  ?   ?       ?      ? 
1 1 1   -2   15   14 o  558.541   83.037  732.228  175.229  704.902  249.802  758.699  245.866  545.438  120.566  571.644  114.211 -26.20526 166.0732 
1 1 1   -2   15   15 o  173.130   48.000   41.764   46.659   22.547   77.996   52.475   58.227  171.011   71.017  175.248   64.595 -4.237213 95.99994 
1 1 1   -2   15   16 o  801.214   80.983  1452.14  171.970  1439.86  187.211  1518.48  435.132  839.848   57.121  762.580  151.559 77.26837 161.9656 
1 1 1   -2   15   17 o  354.684   62.089  267.862   81.338  232.960   98.624  342.089  143.826  324.326   78.719  385.043   96.040 -60.71701 124.1786 
1 1 1   -2   15   18 o  267.826   65.421  138.112   78.157  224.673  142.681  101.004   93.419  309.678  101.925  225.974   82.041 83.70419 130.8416 
1 1 1   -2   15   19 o  331.127   61.773  243.470   77.300  214.396   94.190  303.451  135.288  306.875   78.374  355.379   95.504 -48.50479 123.5456 
1 1 1   -2   15   20 o  235.129   52.274  111.132   61.527  205.929   87.232   17.282   86.795  299.811   74.802  170.447   73.039 129.3648 104.5472 
1 1 1   -2   15   21 o  452.171   56.249  434.804   99.255  434.804   99.255   0.0000   0.0000  452.171   56.249  ?   ?       ?      ? 
1 1 1   -2   15   22 o  425.914   29.876  364.383   49.656  364.383   49.656   0.0000   0.0000  425.914   29.876  ?   ?       ?      ? 
1 1 1   -2   15   23 o  255.966   48.454  176.351   34.753  183.347   35.825   64.622  143.167  301.379   30.461  210.553   91.997 90.82602 96.90883 
1 1 1   -2   15   24 o  312.139   54.335  271.472   41.799  277.675   43.173  178.662  166.993  370.661   29.847  253.617  104.492 117.0439 108.6710 
1 1 1   -2   15   25 o  333.158   63.096  345.087   87.665  379.927   97.295  194.767  202.098  410.293   60.767  256.023  110.598 154.2708 126.1925 
1 1 1   -2   15   26 o  376.128   68.429  467.577   94.758  484.337  101.642  356.271  261.937  465.463   55.957  286.794  124.896 178.6686 136.8589 
1 1 1   -2   15   27 o  319.994   57.152  327.656   45.786  332.520   46.565  185.956  251.349  403.492   29.573  236.497  110.412 166.9954 114.3035 
1 1 1   -2   15   28 o  250.329   61.417  208.073   74.611  219.374   79.155  118.031  223.435  289.038   70.748  211.620  100.413 77.41791 122.8335 
1 1 1   -2   15   29 o  166.103   55.231   23.217   59.975   19.201   63.049   61.410  194.426  139.340   60.962  192.865   92.117 -53.52472 110.4624 
1 1 1   -2   15   30 o  207.687   43.074  127.906   30.122  134.460   30.439 -181.8534  209.264  254.283   30.675  161.091   80.502 93.19182 86.14863 
1 1 1   -2   15   31 o  259.758   50.266  204.104   37.481  206.392   38.264  149.942  186.172  314.233   31.204  205.284   95.566 108.9481 100.5312 
1 1 1   -2   15   32 o  228.019  102.823  277.289  193.577   0.0000   0.0000  277.289  193.577  ?   ?   228.019  102.823      ?      ? 
1 1 1   -2   16    1 o  273.343   48.919  166.839   51.883  192.385   64.062  118.137   88.452  304.782   55.922  241.903   80.282 62.87924 97.83887 
1 1 1   -2   16    2 o  639.411   66.172  836.173  154.507  777.364  185.671  968.602  278.621  612.480   77.682  666.342  107.148 -53.86151 132.3450 
1 1 1   -2   16    3 o  302.785   48.263  176.596   53.259  138.385   64.419  259.130   94.674  256.006   64.507  349.565   71.805 -93.55835 96.52510 
1 1 1   -2   16    4 o  173.346   38.127   48.607   29.051   22.459   35.846   98.651   49.590  129.450   50.004  217.243   57.569 -87.79292 76.25340 
1 1 1   -2   16    5 f  566.346   60.111  644.777  125.391  589.307  151.426  765.789  223.658  534.781   72.559  597.910   95.855 -63.12885 120.2212 
1 1 1   -2   16    6 o  604.502   69.109  797.386  150.116  804.350  186.143  784.431  253.880  622.495   76.626  586.510  115.033 35.98431 138.2178 
1 1 1   -2   16    7 o  902.606   99.998  1977.48  319.430  2068.47  398.241  1813.33  534.893  971.703  105.022  833.509  170.202 138.1941 199.9962 
1 1 1   -2   16    8 o  689.086   69.176  967.473  174.409  862.172  208.660  1211.60  317.713  639.719   83.583  738.452  110.251 -98.73291 138.3522 
1 1 1   -2   16    9 o  560.872   66.552  596.586  133.431  334.446  162.083  1147.81  235.035  382.984  105.215  738.760   81.526 -355.7758 133.1040 
1 1 1   -2   16   10 o  424.284   66.117  393.883  110.005  275.629  151.225  526.778  160.313  348.896  103.568  499.672   82.215 -150.7754 132.2337 
1 1 1   -2   16   11 o  743.357   94.182  1289.52  263.359  989.801  346.528  1699.35  405.209  627.742  144.457  858.973  120.884 -231.2311 188.3631 
1 1 1   -2   16   12 o  476.936   70.945  504.925  130.931  357.592  178.215  677.713  192.997  391.392  111.364  562.479   87.925 -171.0868 141.8896 
1 1 1   -2   16   13 o  388.299   99.896  344.223  152.243  344.223  152.243   0.0000   0.0000  388.299   99.896  ?   ?       ?      ? 
1 1 1   -2   16   14 o  781.864  160.197  1631.50  472.352  1631.50  472.352   0.0000   0.0000  781.864  160.197  ?   ?       ?      ? 
1 1 1   -2   16   15 o  568.241   86.760  788.483  186.797  746.229  265.793  829.721  262.578  548.846  126.669  587.636  118.592 -38.79047 173.5195 
1 1 1   -2   16   16 o  434.909  105.244  450.112  176.688   0.0000   0.0000  450.112  176.688  ?   ?   434.909  105.244      ?      ? 
1 1 1   -2   16   17 o  136.136   43.949 -39.4941   52.602 -106.7824   89.690  -4.2128   64.945  130.149   62.273  142.122   62.033 -11.97325 87.89812 
1 1 1   -2   16   18 o  277.985   64.394  172.821   80.896  127.754  106.241  235.002  124.794  243.486   87.622  312.485   94.385 -68.99969 128.7874 
1 1 1   -2   16   19 o  113.557   55.633 -143.1649   83.294 -143.1649   83.294   0.0000   0.0000  113.557   55.633  ?   ?       ?      ? 
1 1 1   -2   16   20 o  356.089   74.512  294.471  100.217  294.471  100.217   0.0000   0.0000  356.089   74.512  ?   ?       ?      ? 
1 1 1   -2   16   21 o  504.414   70.230  669.930  111.093  677.015  125.975  645.148  235.617  558.439   57.806  450.389  128.014 108.0494 140.4602 
1 1 1   -2   16   22 o  189.875   55.626   56.519   70.003   94.439   89.962  -1.6853  111.455  207.186   79.428  172.564   77.900 34.62251 111.2528 
1 1 1   -2   16   23 o  285.453   53.321  195.183   36.372  195.258   37.476  193.965  150.944  310.408   30.938  260.498  102.056 49.90927 106.6421 
1 1 1   -2   16   24 o  275.689   52.484  198.126   34.439  200.791   35.209  139.230  165.522  315.357   28.610  236.020  100.994 79.33760 104.9683 
1 1 1   -2   16   25 o  289.857   54.151  245.581   41.432  251.287   42.336  116.256  201.557  351.181   30.892  228.533  103.803 122.6479 108.3024 
1 1 1   -2   16   26 o  313.273   64.935  344.483   93.946  375.804  102.916  187.933  230.084  388.726   70.437  237.820  109.110 150.9066 129.8703 
1 1 1   -2   16   27 o  499.672   75.874  1038.13  133.057  1067.68  143.297  853.280  358.427  681.577   53.875  317.766  141.862 363.8115 151.7481 
1 1 1   -2   16   28 o  232.888   51.640  138.214   31.764  138.303   32.143  134.491  207.572  257.523   31.984  208.252   98.203 49.27145 103.2800 
1 1 1   -2   16   29 o  330.047   58.669  357.393   48.028  357.070   48.903  366.187  255.099  414.807   30.210  245.286  113.382 169.5205 117.3376 
1 1 1   -2   16   30 o  159.100   43.331   52.360   21.641   54.404   21.838 -58.8564  161.099  156.914   36.373  161.286   78.660 -4.372833 86.66273 
1 1 1   -2   16   31 o  119.491   41.733   4.3492   16.912   4.5190   17.045  -6.4209  135.767   78.695   32.981  160.287   76.673 -81.59236 83.46601 
1 1 1   -2   17    1 o  261.865   51.502  147.455   52.901  154.266   64.539  133.511   92.348  270.271   62.447  253.459   81.915 16.81201 103.0037 
1 1 1   -2   17    2 o  221.563   50.055   93.314   45.876   80.121   54.922  123.765   83.444  198.969   63.054  244.157   77.757 -45.18874 100.1096 
1 1 1   -2   17    3 f  813.527   89.576  1547.15  257.526  1584.58  317.697  1475.41  439.769  858.342   94.846  768.711  151.984 89.63068 179.1510 
1 1 1   -2   17    4 o  523.951   62.573  577.551  117.780  550.791  143.696  632.331  205.595  516.423   71.303  531.478  102.846 -15.05444 125.1453 
1 1 1   -2   17    5 o  657.619   73.509  944.286  172.173  918.175  209.845  998.070  301.172  660.956   81.357  654.281  122.456 6.674622 147.0186 
1 1 1   -2   17    6 o  1113.04  126.323  3185.50  489.025  2981.48  585.352  3656.94  889.809  1123.18  133.547  1102.90  214.464 20.28162 252.6458 
1 1 1   -2   17    7 o  1152.52   99.555  1929.32  311.716  1504.54  328.541  5760.93  986.733  828.021  101.676  1477.02  171.191 -648.9972 199.1091 
1 1 1   -2   17    8 o  393.546   47.097  192.568   68.139   33.098   77.120  760.118  145.489  176.771   71.700  610.322   61.086 -433.5507 94.19330 
1 1 1   -2   17    9 o  655.348   74.609  952.275  177.180  928.812  219.856  995.743  299.255  660.513   85.295  650.182  122.436 10.33136 149.2176 
1 1 1   -2   17   10 f  780.732   82.745  977.052  208.512  558.312  233.449  2628.95  463.672  481.236  123.646  1080.23  109.993 -598.9929 165.4895 
1 1 1   -2   17   11 o  821.094   98.729  1522.41  296.446  1036.67  368.108  2418.75  500.047  630.751  151.459  1011.44  126.689 -380.6848 197.4590 
1 1 1   -2   17   12 o  427.800   70.931  420.406  117.810  321.882  164.557  524.000  168.739  371.048  107.459  484.552   92.613 -113.5031 141.8614 
1 1 1   -2   17   13 o  405.406   70.154  375.270  110.011  436.396  164.284  325.575  148.127  435.779   98.873  375.034   99.552 60.74435 140.3085 
1 1 1   -2   17   14 o  300.126   63.556  204.316   86.011  108.706  127.320  284.577  116.654  244.787   94.328  355.465   85.204 -110.6777 127.1119 
1 1 1   -2   17   15 o  238.790   60.537  117.463   74.902   41.223  127.543  157.598   92.541  211.714   89.551  265.867   81.484 -54.15388 121.0740 
1 1 1   -2   17   16 o  278.674  105.001  172.690  155.514  172.690  155.514   0.0000   0.0000  278.674  105.001  ?   ?       ?      ? 
1 1 1   -2   17   17 o  167.955   74.219  -4.5270   95.618  -4.5270   95.618   0.0000   0.0000  167.955   74.219  ?   ?       ?      ? 
1 1 1   -2   17   18 o  375.977   68.746  354.376   99.468  345.626  125.518  369.148  163.083  378.941   86.751  373.013  106.669 5.928009 137.4922 
1 1 1   -2   17   19 o  371.969   67.204  352.758   94.220  345.804  114.921  367.016  164.559  380.814   79.881  363.124  108.094 17.69019 134.4072 
1 1 1   -2   17   20 o  210.021   59.810   86.029   74.950   68.901  100.307  107.681  112.777  198.061   81.220  221.981   87.821 -23.92065 119.6209 
1 1 1   -2   17   21 o  218.995   60.996  109.144   76.522  111.931  103.524  105.787  113.615  219.694   84.946  218.297   87.557 1.396484 121.9914 
1 1 1   -2   17   22 o  159.250   51.024 -16.3764   70.177   28.794   95.422 -69.5901  103.569  173.387   75.446  145.114   68.713 28.27312 102.0472 
1 1 1   -2   17   23 f  288.840   70.373  214.610   83.493  180.888   94.229  337.806  180.107  262.233   82.533  315.448  114.008 -53.21515 140.7460 
1 1 1   -2   17   24 o  203.268   63.259   28.403   83.332 -28.5933   95.292  213.671  171.803  148.970   69.014  257.565  106.036 -108.5952 126.5174 
1 1 1   -2   17   25 o  349.763   73.995  415.864  105.389  409.433  117.366  442.635  239.461  395.199   78.866  304.328  125.225 90.87042 147.9905 
1 1 1   -2   17   26 o  143.899   44.142   32.201   19.083   34.189   19.182 -160.0098  188.611  125.627   36.776  162.171   80.260 -36.54482 88.28425 
1 1 1   -2   17   27 o  288.717   52.433  275.625   42.174  280.159   42.848  135.006  238.645  368.098   29.829  209.337  100.535 158.7614 104.8670 
1 1 1   -2   17   28 o  441.877   69.197  720.656   69.550  716.333   71.060  819.192  339.255  586.560   31.044  297.193  134.867 289.3672 138.3935 
1 1 1   -2   17   29 o  118.532   43.723  -0.6419   13.001  -0.6598   13.044   2.1017  161.711   64.481   27.976  172.583   82.850 -108.1015 87.44615 
1 1 1   -2   17   30 o  123.044   41.516   10.877   15.435   10.886   15.553   10.283  125.740   84.549   32.860  161.540   76.254 -76.99095 83.03252 
1 1 1   -2   18    1 o  471.231   64.367  496.017  108.065  520.175  132.195  447.355  187.618  502.608   67.399  439.853  109.680 62.75543 128.7335 
1 1 1   -2   18    2 o  698.748   81.157  1125.04  200.071  1152.81  245.812  1070.54  344.368  736.423   85.535  661.072  137.948 75.35077 162.3141 
1 1 1   -2   18    3 o  500.613   78.722  581.009  149.928  625.381  208.846  533.823  215.364  524.737  105.644  476.490  116.740 48.24707 157.4446 
1 1 1   -2   18    4 f  596.832   72.897  812.777  154.826  857.797  192.426  730.123  260.732  639.908   77.057  553.756  123.767 86.15210 145.7948 
1 1 1   -2   18    5 o  680.306   67.190  900.673  164.176  753.497  192.086  1299.62  316.255  596.520   82.516  764.092  106.062 -167.5718 134.3802 
1 1 1   -2   18    6 o  850.297   92.532  1677.48  278.012  1599.49  336.207  1846.11  494.387  851.922  101.129  848.671  154.989 3.251587 185.0642 
1 1 1   -2   18    7 o  1041.71   92.253  1913.30  304.263  1495.43  332.766  4043.82  751.383  820.282  103.955  1263.13  152.434 -442.8502 184.5063 
1 1 1   -2   18    8 o  799.716   87.274  1505.13  250.374  1517.13  311.694  1483.30  420.362  832.788   95.910  766.645  145.836 66.14294 174.5473 
1 1 1   -2   18    9 o  636.226   68.268  872.367  163.079  825.718  202.901  957.491  274.088  621.610   83.644  650.841  107.915 -29.23102 136.5357 
1 1 1   -2   18   10 o  1210.53  129.270  3340.81  504.694  2690.06  558.502  6238.21  1178.48  1042.73  137.252  1378.32  219.099 -335.5874 258.5397 
1 1 1   -2   18   11 f  491.543   79.132  576.138  148.345  559.865  213.803  591.245  205.998  481.913  115.243  501.174  108.475 -19.26129 158.2648 
1 1 1   -2   18   12 o  818.776  186.201  2068.57  581.506  2068.57  581.506   0.0000   0.0000  818.776  186.201  ?   ?       ?      ? 
1 1 1   -2   18   13 o  181.940   77.214   21.429   95.332   21.429   95.332   0.0000   0.0000  181.940   77.214  ?   ?       ?      ? 
1 1 1   -2   18   14 o  122.674   58.933 -105.0897   82.148 -105.0897   82.148   0.0000   0.0000  122.674   58.933  ?   ?       ?      ? 
1 1 1   -2   18   15 o  474.627   72.867  531.785  149.157  188.967  195.745  1006.44  230.329  288.280  115.173  660.974   89.296 -372.6949 145.7347 
1 1 1   -2   18   16 o  234.854   96.629   97.795  142.565   97.795  142.565   0.0000   0.0000  234.854   96.629  ?   ?       ?      ? 
1 1 1   -2   18   17 o  322.475   75.440  267.249  105.158  345.170  184.937  230.017  127.836  345.894  116.111  299.057   96.349 46.83627 150.8807 
1 1 1   -2   18   18 o  221.196   59.775  100.991   72.098  149.975  110.660   64.861   95.039  247.415   89.373  194.976   79.403 52.43921 119.5506 
1 1 1   -2   18   19 o  283.190   68.814  220.949   91.939  228.033  122.137  211.686  139.660  290.302   94.242  276.077  100.299 14.22476 137.6283 
1 1 1   -2   18   20 o  358.574   75.177  327.182  102.981  248.014  119.877  550.161  201.183  300.767   92.835  416.382  118.270 -115.6154 150.3531 
1 1 1   -2   18   21 o  193.530   58.787   56.820   77.854   52.372   98.229   64.334  127.675  185.214   78.479  201.846   87.549 -16.63214 117.5746 
1 1 1   -2   18   22 o  195.435   57.009   53.137   80.436  144.959  103.888 -84.2996  127.099  234.928   86.329  155.941   74.481 78.98637 114.0178 
1 1 1   -2   18   23 o  313.905   64.799  318.954   93.727  371.174  110.228  182.645  178.089  383.276   76.378  244.534  104.701 138.7415 129.5990 
1 1 1   -2   18   24 o  171.197   53.502   30.246   73.576   76.819   85.969 -97.2675  142.248  186.034   75.613  156.359   75.714 29.67575 107.0044 
1 1 1   -2   18   25 o  184.331   44.714   78.555   25.355   80.855   25.766   8.0239  142.677  193.796   35.373  174.866   82.134 18.93015 89.42740 
1 1 1   -2   18   26 o  260.915   45.025  233.945   39.260  247.085   40.296 -11.7911  174.259  345.625   29.876  176.204   84.949 169.4212 90.04906 
1 1 1   -2   18   27 o  218.368  101.962  199.034  214.463   0.0000   0.0000  199.034  214.463  ?   ?   218.368  101.962      ?      ? 
1 1 1   -2   18   28 o  164.660   44.722   57.139   23.626   59.122   23.868 -38.9595  166.154  162.907   38.206  166.414   80.873 -3.506790 89.44347 
1 1 1   -2   18   29 o  183.594   41.660   86.942   26.075   90.681   26.571 -10.4667  135.615  207.177   32.865  160.012   76.565 47.16515 83.32038 
1 1 1   -2   19    1 o  495.310   79.661  572.152  150.230  545.693  205.100  602.780  220.669  483.845  110.985  506.775  114.305 -22.92990 159.3216 
1 1 1   -2   19    2 o  272.492   57.799  157.957   61.808  157.895   72.262  158.126  119.302  271.179   68.317  273.806   93.251 -2.626923 115.5984 
1 1 1   -2   19    3 o  528.704   70.767  640.647  131.727  669.254  160.092  580.677  231.792  566.279   72.445  491.129  121.587 75.14996 141.5333 
1 1 1   -2   19    4 o  364.682   61.765  293.084   82.098  290.301   98.793  299.294  147.589  368.113   71.348  361.251  100.843 6.862000 123.5307 
1 1 1   -2   19    5 o  682.228   91.395  1111.82  237.442  943.889  319.061  1320.25  355.468  614.158  136.650  750.299  121.404 -136.1415 182.7900 
1 1 1   -2   19    6 o  1131.49  133.677  3125.75  590.254  3125.75  590.254   0.0000   0.0000  1131.49  133.677  ?   ?       ?      ? 
1 1 1   -2   19    7 f  172.067   65.475   46.623   60.846   46.623   60.846   0.0000   0.0000  172.067   65.475  ?   ?       ?      ? 
1 1 1   -2   19    8 o  340.770   80.018  257.058  104.593  257.058  104.593   0.0000   0.0000  340.770   80.018  ?   ?       ?      ? 
1 1 1   -2   19    9 o  194.301   74.214   62.391   78.357   62.391   78.357   0.0000   0.0000  194.301   74.214  ?   ?       ?      ? 
1 1 1   -2   19   10 o  222.727   82.403   94.534   94.926   94.534   94.926   0.0000   0.0000  222.727   82.403  ?   ?       ?      ? 
1 1 1   -2   19   11 o  332.369   92.656  259.214  124.685  259.214  124.685   0.0000   0.0000  332.369   92.656  ?   ?       ?      ? 
1 1 1   -2   19   12 o  686.395  166.439  1474.08  441.218  1474.08  441.218   0.0000   0.0000  686.395  166.439  ?   ?       ?      ? 
1 1 1   -2   19   13 o  221.363   87.867   86.701  113.246   86.701  113.246   0.0000   0.0000  221.363   87.867  ?   ?       ?      ? 
1 1 1   -2   19   14 o  463.830   77.885  566.939  153.559  305.736  210.893  861.707  224.034  329.740  122.659  597.920   96.015 -268.1809 155.7694 
1 1 1   -2   19   15 o  438.058  113.093  527.058  194.658   0.0000   0.0000  527.058  194.658  ?   ?   438.058  113.093      ?      ? 
1 1 1   -2   19   16 f  312.507   68.819  263.968  119.978 -18.8211  192.341  444.086  153.503  211.087   97.882  413.928   96.765 -202.8413 137.6382 
1 1 1   -2   19   17 f  509.499  173.594  1235.61  413.437  1235.61  413.437   0.0000   0.0000  509.499  173.594  ?   ?       ?      ? 
1 1 1   -2   19   18 o  290.764   74.327  257.702  127.252   49.041  213.886  372.030  158.321  225.759  104.167  355.769  106.053 -130.0107 148.6538 
1 1 1   -2   19   19 o  208.272   64.928   69.022   92.661   12.333  208.678   82.945  103.415  213.920  100.110  202.623   82.708 11.29724 129.8565 
1 1 1   -2   19   20 o  263.602   60.177  190.007   79.367  265.409  103.299   81.354  124.001  320.474   82.200  206.731   87.910 113.7430 120.3538 
1 1 1   -2   19   21 o  192.922   57.533   63.918   67.150   52.306   78.411   95.863  130.051  174.098   71.650  211.746   90.035 -37.64755 115.0659 
1 1 1   -2   19   22 o  194.960   58.529   77.058   76.328   97.131   89.540   23.690  145.997  201.288   78.673  188.631   86.679 12.65767 117.0590 
1 1 1   -2   19   23 o  234.450   63.009  173.275   85.269  204.447   97.918   75.466  173.450  265.719   84.190  203.181   93.769 62.53833 126.0181 
1 1 1   -2   19   24 o  163.013   51.819   20.660   58.993   0.3866   67.676   84.808  120.383  134.742   60.775  191.283   83.948 -56.54156 103.6382 
1 1 1   -2   19   25 o  187.212   53.367   85.399   53.254   79.216   60.065  108.121  115.140  177.711   65.588  196.712   84.205 -19.00171 106.7344 
1 1 1   -2   19   26 o  188.624   43.781   87.766   27.219   89.981   27.939   46.458  120.663  203.158   36.587  174.089   79.552 29.06844 87.56209 
1 1 1   -2   19   27 o  121.496   42.470   4.4131   13.434   4.0613   13.509   35.895  127.798   71.515   29.616  171.477   79.611 -99.96180 84.94096 
1 1 1   -2   19   28 o  255.623   43.952  226.318   36.999  237.570   37.989   18.812  163.140  338.341   28.772  172.905   83.061 165.4357 87.90331 
1 1 1   -2   20    1 o  232.377   60.218  103.208   69.620  107.017   86.408   96.160  117.539  229.643   79.323  235.111   90.623 -5.467209 120.4350 
1 1 1   -2   20    2 o  459.338   68.268  492.363  112.394  519.340  135.977  434.184  199.689  497.561   70.030  421.116  117.209 76.44495 136.5365 
1 1 1   -2   20    3 o  487.910   75.339  554.752  145.950  809.221  214.437  335.133  199.213  606.373   90.621  369.447  120.380 236.9257 150.6770 
1 1 1   -2   20    4 o  499.060   68.806  559.048  120.823  547.927  144.627  584.740  219.827  508.835   72.835  489.285  116.756 19.54971 137.6113 
1 1 1   -2   20    5 o  673.747   66.777  875.021  158.728  704.296  182.935  1395.09  319.284  569.869   82.260  777.626  105.214 -207.7575 133.5546 
1 1 1   -2   20    6 o  463.864   64.764  480.539  109.628  466.611  135.405  507.043  186.778  467.374   74.240  460.355  106.140 7.019440 129.5272 
1 1 1   -2   20    7 o  345.841   59.679  243.215   78.475  164.437   96.067  401.209  136.048  270.851   83.024  420.831   85.753 -149.9795 119.3586 
1 1 1   -2   20    8 o  425.966   54.660  249.936   89.455   46.804  102.139  918.817  185.344  198.155   81.690  653.777   72.647 -455.6223 109.3195 
1 1 1   -2   20    9 o  748.656   89.755  1383.55  240.221  1237.82  289.961  1702.43  428.928  721.184  103.030  776.128  147.000 -54.94446 179.5107 
1 1 1   -2   20   10 o  664.648   70.955  818.777  158.577  554.644  179.955  1736.55  335.444  477.731   99.747  851.566  100.942 -373.8343 141.9109 
1 1 1   -2   20   11 o  549.951   99.212  739.033  205.088  739.033  205.088   0.0000   0.0000  549.951   99.212  ?   ?       ?      ? 
1 1 1   -2   20   12 o  116.600   56.799 -128.4982   83.291 -128.4982   83.291   0.0000   0.0000  116.600   56.799  ?   ?       ?      ? 
1 1 1   -2   20   13 o  591.249   67.905  126.313  124.033 -95.3214  129.110  2779.34  446.697  161.709   76.614  1020.79  112.136 -859.0803 135.8092 
1 1 1   -2   20   14 o  185.346   84.264 -11.1187  133.209 -11.1187  133.209   0.0000   0.0000  185.346   84.264  ?   ?       ?      ? 
1 1 1   -2   20   19 o  255.378  114.681  197.473  237.920  197.473  237.920   0.0000   0.0000  255.378  114.681  ?   ?       ?      ? 
1 1 1   -2   20   20 o  118.691   56.385 -59.8613   70.866 -59.8613   70.866   0.0000   0.0000  118.691   56.385  ?   ?       ?      ? 
1 1 1   -2   20   21 o  147.855   47.891  -7.0066   59.600   6.6207   71.456 -38.1588  108.039  143.504   63.750  152.207   71.485 -8.702820 95.78168 
1 1 1   -2   20   22 o  230.382   60.060  161.342   72.366  176.274   84.115  118.811  141.962  251.449   77.789  209.315   91.528 42.13426 120.1191 
1 1 1   -2   20   23 o  185.900   61.228   41.599   99.488  127.718  178.738   2.9414  119.754  208.239   95.770  163.561   76.311 44.67783 122.4553 
1 1 1   -2   20   24 o  178.972   57.709   38.390   98.050 -140.1094  171.742  124.704  119.426  154.814   76.613  203.129   86.323 -48.31459 115.4176 
1 1 1   -2   20   25 o  152.006   49.989 -50.1928   56.147 -99.3124   63.031  138.543  123.553   96.444   47.477  207.569   87.987 -111.1249 99.97852 
1 1 1   -2   20   26 f  233.699   60.859  173.994   66.863  167.106   73.259  208.357  163.632  243.384   72.048  224.015   98.103 19.36920 121.7174 
1 1 1   -2   20   27 f  131.866   39.305   30.735   18.102   33.516   18.230 -166.0914  153.352  123.270   35.785  140.462   69.991 -17.19170 78.60915 
1 1 1   -2   21    1 o  341.514   75.433  275.206  107.814  239.600  133.867  340.942  181.888  316.978   98.146  366.049  114.579 -49.07043 150.8669 
1 1 1   -2   21    2 o  297.048   62.141  221.797   80.771  266.790   94.211   96.984  156.912  347.486   71.848  246.611  101.410 100.8758 124.2822 
1 1 1   -2   21    3 o  438.828   75.232  480.879  142.254  722.273  201.614  241.560  200.745  562.448   91.856  315.208  119.171 247.2408 150.4631 
1 1 1   -2   21    4 o  395.951   69.418  347.511   97.236  307.297  113.242  460.371  189.708  367.013   81.216  424.889  112.603 -57.87558 138.8358 
1 1 1   -2   21    5 o  277.186   63.252  177.618   73.730  183.048   85.890  162.412  143.736  283.990   76.003  270.382  101.128 13.60788 126.5041 
1 1 1   -2   21    6 o  226.136   56.560   90.413   60.383   52.403   73.340  170.399  106.389  181.491   71.128  270.781   87.960 -89.29034 113.1198 
1 1 1   -2   21    7 o  170.558   69.164   37.769   71.745   37.769   71.745   0.0000   0.0000  170.558   69.164  ?   ?       ?      ? 
1 1 1   -2   21    8 o  282.494   68.562  195.313   91.883  170.591  135.932  216.112  124.679  268.920   98.760  296.068   95.128 -27.14792 137.1234 
1 1 1   -2   21    9 o  499.911   59.320  271.380  113.950  -8.2323  125.880  1540.37  268.168  185.609   83.379  814.213   84.399 -628.6032 118.6393 
1 1 1   -2   21   10 f  290.967   65.436  213.436   94.415   79.976  142.324  318.331  126.177  224.112   94.685  357.821   90.345 -133.7092 130.8723 
1 1 1   -2   21   11 o  178.038   78.629   10.512  107.165   10.512  107.165   0.0000   0.0000  178.038   78.629  ?   ?       ?      ? 
1 1 1   -2   21   12 o  332.233  140.173  430.256  311.233  430.256  311.233   0.0000   0.0000  332.233  140.173  ?   ?       ?      ? 
1 1 1   -2   21   13 o  336.371  144.845  508.465  344.411  508.465  344.411   0.0000   0.0000  336.371  144.845  ?   ?       ?      ? 
1 1 1   -2   21   16 o  261.856  113.530  207.350  214.509  207.350  214.509   0.0000   0.0000  261.856  113.530  ?   ?       ?      ? 
1 1 1   -2   21   17 o  208.320   98.334  -1.3364  209.082  -1.3364  209.082   0.0000   0.0000  208.320   98.334  ?   ?       ?      ? 
1 1 1   -2   21   18 o  215.061  101.781   29.264  226.654   29.264  226.654   0.0000   0.0000  215.061  101.781  ?   ?       ?      ? 
1 1 1   -2   21   19 o  223.864  105.999   91.240  246.423   91.240  246.423   0.0000   0.0000  223.864  105.999  ?   ?       ?      ? 
1 1 1   -2   21   20 o  151.937   50.019 -41.4497   69.114 -96.1263   86.662   54.097  114.560  120.809   58.640  183.064   81.050 -62.25520 100.0386 
1 1 1   -2   21   21 o  304.635   83.394  453.627  172.886  130.608  255.279  727.312  234.977  214.951  103.423  394.319  130.850 -179.3674 166.7878 
1 1 1   -2   21   22 o  200.120   63.489  105.230  108.290   5.3216  173.955  168.444  138.370  179.543   86.122  220.697   93.308 -41.15414 126.9781 
1 1 1   -2   21   23 o  214.674   61.676  126.086   69.845   97.270   79.084  228.252  148.911  189.727   73.997  239.621   98.692 -49.89365 123.3524 
1 1 1   -2   21   24 o  176.113   56.204   23.214   68.115 -23.2998   77.431  182.373  143.232  130.728   61.116  221.497   94.342 -90.76868 112.4079 
1 1 1   -2   21   25 o  157.772   53.689 -29.5251   74.612 -64.7757   83.968  102.741  162.650  122.402   59.000  193.143   89.717 -70.74075 107.3783 
1 1 1   -2   21   26 o  137.626   63.717  -3.3112   81.031  -3.3112   81.031   0.0000   0.0000  137.626   63.717  ?   ?       ?      ? 
1 1 1   -2   22    1 o  280.016  109.299  188.473  172.644   0.0000   0.0000  188.473  172.644  ?   ?   280.016  109.299      ?      ? 
1 1 1   -2   22    2 o  529.039  146.743  888.864  313.567   0.0000   0.0000  888.864  313.567  ?   ?   529.039  146.743      ?      ? 
1 1 1   -2   22    3 o  160.001   74.724 -68.7084  115.285   0.0000   0.0000 -68.7084  115.285  ?   ?   160.001   74.724      ?      ? 
1 1 1   -2   22    4 f  290.745  106.621  217.945  158.352   0.0000   0.0000  217.945  158.352  ?   ?   290.745  106.621      ?      ? 
1 1 1   -2   22    5 o  268.778  103.759  175.518  154.267   0.0000   0.0000  175.518  154.267  ?   ?   268.778  103.759      ?      ? 
1 1 1   -2   22    6 f  232.881   66.070  110.503   91.469  123.531  132.539   98.656  126.392  239.571   95.070  226.191   91.774 13.37959 132.1392 
1 1 1   -2   22    7 o  201.249   60.528   53.514   79.263   57.174  139.173   51.756   96.430  212.339   91.753  190.158   78.967 22.18112 121.0553 
1 1 1   -2   22    8 o  155.805   51.117 -30.7289   67.717 -157.6433  149.492   2.0353   75.956  160.288   77.617  151.322   66.539 8.966705 102.2348 
1 1 1   -2   22    9 o  320.258   69.737  257.371   99.397  150.762  127.385  423.313  158.927  247.228   94.578  393.288  102.508 -146.0600 139.4737 
1 1 1   -2   22   10 o  549.957  101.498  811.359  209.805  811.359  209.805   0.0000   0.0000  549.957  101.498  ?   ?       ?      ? 
1 1 1   -2   22   11 o  356.237   74.425  369.584  111.451  412.474  158.333  327.465  156.906  380.543  103.762  331.931  106.723 48.61172 148.8504 
1 1 1   -2   22   12 o  251.877   98.324  171.294  139.724  171.294  139.724   0.0000   0.0000  251.877   98.324  ?   ?       ?      ? 
1 1 1   -2   22   13 o  157.014   74.638 -79.1861  124.550 -79.1861  124.550   0.0000   0.0000  157.014   74.638  ?   ?       ?      ? 
1 1 1   -2   22   14 o  176.102   80.800  -9.0026  126.206  -9.0026  126.206   0.0000   0.0000  176.102   80.800  ?   ?       ?      ? 
1 1 1   -2   22   15 o  288.494   77.169  283.904  125.996  188.382  239.350  320.521  148.190  253.500  114.323  323.487  103.686 -69.98724 154.3388 
1 1 1   -2   22   16 o  286.850  126.818  364.445  279.493  364.445  279.493   0.0000   0.0000  286.850  126.818  ?   ?       ?      ? 
1 1 1   -2   22   17 o  308.932   84.170  413.277  159.599  277.959  291.521  471.194  190.719  258.959  120.230  358.906  117.827 -99.94647 168.3406 
1 1 1   -2   22   18 f  345.065   96.402  689.091  204.727  670.889  357.973  697.938  249.571  303.004  137.901  387.126  134.747 -84.12158 192.8042 
1 1 1   -2   22   19 f  419.961   94.018  786.572  252.737 -82.6087  328.406  2049.11  395.802  200.079  100.115  639.844  159.169 -439.7658 188.0366 
1 1 1   -2   22   20 o  204.581   61.225  122.012   84.241  113.247  115.532  131.962  123.097  200.609   85.062  208.553   88.082 -7.944748 122.4499 
1 1 1   -2   22   21 o  396.777   74.468  250.442  101.217   77.688  108.036  1490.66  289.470  182.955   79.928  610.599  125.673 -427.6446 148.9367 
1 1 1   -2   22   22 o  248.022   68.857  171.980   86.550   90.826   99.235  429.945  176.925  186.728   78.986  309.316  112.811 -122.5878 137.7142 
1 1 1   -2   22   23 o  243.994   71.417  133.482   87.265   47.780   95.748  553.817  212.047  166.192   73.813  321.797  122.282 -155.6045 142.8331 
1 1 1   -2   22   24 o  254.266   88.366  223.934  107.311  223.934  107.311   0.0000   0.0000  254.266   88.366  ?   ?       ?      ? 
1 1 1   -2   23    1 o  227.405   59.500  124.685   72.634  158.855   78.916 -64.6526  185.764  257.757   74.349  197.054   92.916 60.70248 119.0008 
1 1 1   -2   23    2 o  245.159   67.607   84.553   86.998   10.429  100.953  298.451  171.491  172.714   76.295  317.604  111.632 -144.8903 135.2133 
1 1 1   -2   23    3 f  218.419   61.857   70.480   60.130   49.830   65.137  189.519  156.391  170.006   66.906  266.832  104.062 -96.82677 123.7141 
1 1 1   -2   23    4 o  254.354   66.158  162.046   81.468  163.328   94.474  158.329  160.895  256.018   82.864  252.689  103.156 3.329468 132.3165 
1 1 1   -2   23    5 o  288.303   75.669  232.402  113.288  175.730  149.472  308.902  173.663  258.423  101.463  318.183  112.287 -59.75964 151.3379 
1 1 1   -2   23    6 o  185.215   57.312   28.129   65.909   14.494   74.339   78.232  142.499  154.593   66.929  215.837   93.055 -61.24419 114.6240 
1 1 1   -2   23    7 o  429.887   79.774  560.258  133.600  569.630  164.359  542.005  229.368  466.236   93.587  393.539  129.216 72.69687 159.5477 
1 1 1   -2   23    8 f  202.502   59.526   75.043   77.549   59.333  106.212   92.980  113.491  193.377   81.753  211.628   86.543 -18.25049 119.0514 
1 1 1   -2   23    9 o  337.806   73.677  344.007  109.105  383.797  145.298  292.566  165.208  369.980   98.781  305.632  109.341 64.34760 147.3542 
1 1 1   -2   23   10 o  222.473   90.539  114.709  123.458  114.709  123.458   0.0000   0.0000  222.473   90.539  ?   ?       ?      ? 
1 1 1   -2   23   11 o  144.688   68.878 -79.1801  106.831 -79.1801  106.831   0.0000   0.0000  144.688   68.878  ?   ?       ?      ? 
1 1 1   -2   23   12 o  226.310   91.575  126.467  125.480  126.467  125.480   0.0000   0.0000  226.310   91.575  ?   ?       ?      ? 
1 1 1   -2   23   13 o  185.029   55.296   54.742   70.119   15.896  106.373   84.593   93.246  172.206   77.052  197.852   79.333 -25.64589 110.5927 
1 1 1   -2   23   14 o  208.196   85.100  101.005  109.671  101.005  109.671   0.0000   0.0000  208.196   85.100  ?   ?       ?      ? 
1 1 1   -2   23   15 o  161.930   74.057  -2.2493  104.841  -2.2493  104.841   0.0000   0.0000  161.930   74.057  ?   ?       ?      ? 
1 1 1   -2   23   16 o  257.814   68.134  212.901  101.552   95.079  146.287  322.492  141.085  204.988   91.131  310.640  101.311 -105.6528 136.2672 
1 1 1   -2   23   17 o  325.382   89.728  626.038  202.262  305.183  325.850  827.149  257.977  239.795  115.747  410.968  137.140 -171.1732 179.4564 
1 1 1   -2   23   18 o  255.360   74.204  298.118  146.777  -0.6442  282.325  408.778  171.824  197.611   97.869  313.109  111.563 -115.4979 148.4072 
1 1 1   -2   23   19 o  203.294  100.079   84.997  280.138   84.997  280.138   0.0000   0.0000  203.294  100.079  ?   ?       ?      ? 
1 1 1   -2   23   20 o  304.088   87.733  630.607  217.900  101.184  351.819  960.078  277.540  205.967  103.143  402.208  141.951 -196.2416 175.4663 
1 1 1   -2   23   21 o  164.107   76.783   12.242  122.647   12.242  122.647   0.0000   0.0000  164.107   76.783  ?   ?       ?      ? 
1 1 1   -2   23   22 o  215.395   88.744  162.474  120.453  162.474  120.453   0.0000   0.0000  215.395   88.744  ?   ?       ?      ? 
1 1 1   -2   23   23 o  183.703   62.156 -67.2382  105.115 -224.0702  122.900  360.071  202.864  118.487   59.560  248.919  109.115 -130.4321 124.3124 
1 1 1   -2   24    1 o  264.300   68.154  201.989   92.865  227.566  101.955   77.430  224.996  295.961   84.239  232.639  107.162 63.32207 136.3082 
1 1 1   -2   24    2 o  482.802  181.360  1420.82  463.257   0.0000   0.0000  1420.82  463.257  ?   ?   482.802  181.360      ?      ? 
1 1 1   -2   24    3 o  224.083   63.588  118.220   78.571  133.503   86.040   41.474  192.804  231.734   79.191  216.431   99.512 15.30275 127.1762 
1 1 1   -2   24    4 o  312.752   73.795  300.810  104.988  310.840  121.548  271.341  208.350  340.801   90.043  284.704  116.939 56.09631 147.5891 
1 1 1   -2   24    5 o  308.977   71.711  295.540  102.889  320.012  120.388  229.231  198.167  347.470   88.532  270.484  112.835 76.98578 143.4213 
1 1 1   -2   24    6 o  304.737   74.501  214.626   92.425  146.458  103.906  472.982  202.283  238.060   86.509  371.414  121.318 -133.3539 149.0029 
1 1 1   -2   24    7 o  281.768   74.320  208.411   97.153  162.167  111.570  353.455  197.592  246.385   89.626  317.152  118.580 -70.76675 148.6404 
1 1 1   -2   24    8 o  199.503   84.756   71.522  115.065   71.522  115.065   0.0000   0.0000  199.503   84.756  ?   ?       ?      ? 
1 1 1   -2   24    9 o  197.263   61.622   51.724   92.286   35.390  122.382   73.256  140.513  187.431   83.338  207.094   90.796 -19.66315 123.2441 
1 1 1   -2   24   10 o  287.698   62.879   93.197  103.805 -157.3566  128.694  559.747  175.613  141.682   69.356  433.714  104.904 -292.0318 125.7581 
1 1 1   -2   24   11 o  175.873   80.996  -2.0333  128.437  -2.0333  128.437   0.0000   0.0000  175.873   80.996  ?   ?       ?      ? 
1 1 1   -2   24   12 o  229.210   66.756  124.326  102.676   12.877  140.503  252.053  150.415  183.348   84.538  275.072  103.339 -91.72363 133.5128 
1 1 1   -2   24   13 o  195.958   60.177   76.015   85.421  107.076  126.174   49.731  116.065  208.268   88.623  183.648   81.431 24.62032 120.3538 
1 1 1   -2   24   14 o  294.915   69.460  280.978  120.682   18.149  171.064  541.398  170.279  188.148   88.853  401.681  106.790 -213.5326 138.9204 
1 1 1   -2   24   15 f  241.978   97.495  208.870  141.569  208.870  141.569   0.0000   0.0000  241.978   97.495  ?   ?       ?      ? 
1 1 1   -2   24   16 o  206.105   62.067  122.474   92.700   41.754  142.647  181.484  121.964  180.814   84.000  231.395   91.396 -50.58095 124.1343 
1 1 1   -2   24   17 o  179.349   84.132   36.779  148.893   36.779  148.893   0.0000   0.0000  179.349   84.132  ?   ?       ?      ? 
1 1 1   -2   24   18 o  239.042  114.517  393.198  305.411  393.198  305.411   0.0000   0.0000  239.042  114.517  ?   ?       ?      ? 
1 1 1   -2   24   19 o  177.916   89.097 -123.5623  262.569 -123.5623  262.569   0.0000   0.0000  177.916   89.097  ?   ?       ?      ? 
1 1 1   -2   24   20 o  212.369   67.687  168.928  128.076   25.087  209.330  254.991  161.920  184.400   89.874  240.339  101.237 -55.93884 135.3745 
1 1 1   -2   24   21 o  197.441   63.306   83.153  117.921 -134.2313  172.207  275.078  161.809  151.684   75.349  243.198  101.749 -91.51378 126.6116 
1 1 1   -2   25    1 o  400.079  154.172  843.942  340.122   0.0000   0.0000  843.942  340.122  ?   ?   400.079  154.172      ?      ? 
1 1 1   -2   25    2 f  266.578   69.575  220.617  100.348  250.111  111.027   89.045  234.502  302.295   88.475  230.861  107.400 71.43454 139.1495 
1 1 1   -2   25    3 o  306.081   83.187  275.852  143.500  101.903  178.006  598.734  242.519  224.124  100.021  388.038  132.951 -163.9136 166.3739 
1 1 1   -2   25    4 o  278.427   81.116  266.573  140.264  224.099  182.277  328.239  219.630  263.598  108.942  293.256  120.212 -29.65851 162.2320 
1 1 1   -2   25    5 o  200.077   63.095   48.305   84.433   25.729   95.698  127.618  179.370  169.892   74.697  230.262  101.707 -60.36995 126.1902 
1 1 1   -2   25    6 o  396.026   97.258  643.238  184.251  464.419  235.531  925.241  295.780  331.323  128.122  460.728  146.360 -129.4056 194.5164 
1 1 1   -2   25    7 o  378.625   82.554  334.552  118.970  181.713  132.419  974.397  270.937  247.679   95.986  509.572  134.339 -261.8929 165.1072 
1 1 1   -2   25    8 o  337.890   83.819  324.776  123.575  190.195  141.326  761.843  254.685  248.213   98.274  427.566  135.811 -179.3533 167.6382 
1 1 1   -2   25    9 o  229.798   70.498  142.238  112.205   97.017  139.287  225.829  189.374  207.707   90.748  251.890  107.912 -44.18306 140.9969 
1 1 1   -2   25   10 o  209.356   64.575   97.689  106.992  180.360  138.216 -25.9109  169.002  238.003   96.179  180.710   86.193 57.29378 129.1496 
1 1 1   -2   25   11 o  165.624   77.057  -3.1748  120.755  -3.1748  120.755   0.0000   0.0000  165.624   77.057  ?   ?       ?      ? 
1 1 1   -2   25   12 o  165.362   76.819   4.3247  119.281   4.3247  119.281   0.0000   0.0000  165.362   76.819  ?   ?       ?      ? 
1 1 1   -2   25   13 o  182.629   82.289   61.489  123.695   61.489  123.695   0.0000   0.0000  182.629   82.289  ?   ?       ?      ? 
1 1 1   -2   25   14 o  199.383   90.431  108.117  152.261  108.117  152.261   0.0000   0.0000  199.383   90.431  ?   ?       ?      ? 
1 1 1   -2   25   15 o  172.654   80.880   23.736  136.795   23.736  136.795   0.0000   0.0000  172.654   80.880  ?   ?       ?      ? 
1 1 1   -2   25   16 o  247.027   67.592  179.342  115.697 -75.0472  160.145  457.072  167.330  159.745   78.022  334.309  110.396 -174.5640 135.1840 
1 1 1   -2   25   17 o  249.097   67.422  199.081  119.291 -92.7119  173.686  459.638  164.127  160.775   79.081  337.418  109.221 -176.6425 134.8442 
1 1 1   -2   25   18 o  301.097   87.145  609.349  191.185  312.424  284.945  852.465  257.836  224.978  108.504  377.216  136.397 -152.2375 174.2906 
1 1 1   -2   25   19 o  221.740   69.328  220.907  121.997  168.218  200.085  252.086  153.917  205.114   96.629  238.366   99.440 -33.25215 138.6564 
1 1 1   -2   26    1 o  605.700  133.572  1375.42  307.235  1375.42  307.235   0.0000   0.0000  605.700  133.572  ?   ?       ?      ? 
1 1 1   -2   26    2 o  282.340   93.906  245.394  120.997  245.394  120.997   0.0000   0.0000  282.340   93.906  ?   ?       ?      ? 
1 1 1   -2   26    3 o  238.834   90.904  170.647  117.303  170.647  117.303   0.0000   0.0000  238.834   90.904  ?   ?       ?      ? 
1 1 1   -2   26    4 f  175.277   77.538   40.587  104.640   40.587  104.640   0.0000   0.0000  175.277   77.538  ?   ?       ?      ? 
1 1 1   -2   26    5 o  161.842   73.433   11.649  100.529   11.649  100.529   0.0000   0.0000  161.842   73.433  ?   ?       ?      ? 
1 1 1   -2   26    6 o  315.367   80.373  407.364  127.716  396.078  148.748  439.022  249.132  343.224  102.907  287.511  123.488 55.71320 160.7455 
1 1 1   -2   26    7 o  221.763   67.246  152.907  100.567  154.957  117.079  147.138  196.408  224.572   89.279  218.955  100.586 5.616348 134.4921 
1 1 1   -2   26    8 o  220.835   66.272  157.878   99.354  172.747  115.892  116.644  192.993  232.210   89.851  209.460   97.440 22.74965 132.5434 
1 1 1   -2   26    9 o  199.243   61.562  105.570   90.229  125.169  105.448   51.989  174.350  207.396   83.939  191.090   90.077 16.30591 123.1243 
1 1 1   -2   26   10 o  181.391   57.813   54.358   78.114   31.339   91.912  114.228  148.230  160.788   71.806  201.993   90.627 -41.20531 115.6258 
1 1 1   -2   26   11 o  163.451   72.579   39.136   92.524   39.136   92.524   0.0000   0.0000  163.451   72.579  ?   ?       ?      ? 
1 1 1   -2   26   12 o  226.867   66.618  160.026   95.769   74.825  120.108  308.751  158.688  183.809   82.086  269.925  104.946 -86.11646 133.2355 
1 1 1   -2   26   13 o  134.540   65.269 -81.8050  106.962 -81.8050  106.962   0.0000   0.0000  134.540   65.269  ?   ?       ?      ? 
1 1 1   -2   26   14 o  173.920   80.761   37.488  131.621   37.488  131.621   0.0000   0.0000  173.920   80.761  ?   ?       ?      ? 
1 1 1   -2   26   15 o  172.551   85.463 -79.9589  215.415 -79.9589  215.415   0.0000   0.0000  172.551   85.463  ?   ?       ?      ? 
1 1 1   -2   26   16 o  151.049   74.832 -130.8316  165.527 -130.8316  165.527   0.0000   0.0000  151.049   74.832  ?   ?       ?      ? 
1 1 1   -2   26   17 o  192.169   60.209   86.710  101.888 -95.1826  156.821  219.578  134.031  151.505   74.641  232.833   94.494 -81.32837 120.4174 
1 1 1   -2   27    1 o  141.868   48.497 -55.6874   72.027 -45.2314   82.986 -87.6195  145.023  129.363   61.328  154.372   75.144 -25.00874 96.99306 
1 1 1   -2   27    2 o  248.807   68.380  232.254   99.057  250.671  118.033  188.383  182.168  273.570   92.756  224.043  100.497 49.52731 136.7602 
1 1 1   -2   27    3 o  189.517   59.322   59.671   77.956   13.162   91.814  179.802  147.562  154.027   69.999  225.007   95.795 -70.98061 118.6448 
1 1 1   -2   27    4 o  200.792   61.037  111.421   83.653   98.258  104.243  135.229  140.199  192.869   81.235  208.716   91.121 -15.84702 122.0740 
1 1 1   -2   27    5 o  181.125   56.950   66.995   77.858   67.972   94.218   64.892  138.258  176.867   75.953  185.383   84.878 -8.516174 113.8995 
1 1 1   -2   27    6 o  145.441   49.471 -51.4592   68.924 -79.0900   80.148   26.983  135.044  117.187   56.767  173.695   81.038 -56.50878 98.94247 
1 1 1   -2   27    7 o  180.988   57.900   63.680   81.336   64.058   94.191   62.573  161.278  174.280   75.395  187.696   87.893 -13.41576 115.7995 
1 1 1   -2   27    8 o  143.576   49.159 -53.1730   74.992 -48.3668   87.029 -67.0329  147.788  130.156   62.017  156.997   76.291 -26.84032 98.31805 
1 1 1   -2   27    9 o  195.017   62.246   94.355   90.934   75.784  105.110  149.608  181.306  181.076   78.980  208.957   96.232 -27.88124 124.4929 
1 1 1   -2   27   10 o  194.771   64.379   87.059  118.272   45.903  151.856  150.520  188.567  180.974   84.917  208.569   96.786 -27.59563 128.7575 
1 1 1   -2   27   11 o  234.443   73.224  238.323  137.944   96.543  193.917  383.564  196.270  196.593   93.359  272.294  112.832 -75.70100 146.4477 
1 1 1   -2   27   12 o  209.891   68.705  165.180  131.734  171.485  218.678  161.589  165.043  209.676   99.446  210.107   94.826 -0.4307404 137.4100 
1 1 1   -2   27   13 o  209.890   64.530  124.323   99.378   18.215  127.168  290.770  159.273  165.445   77.656  254.335  103.082 -88.89043 129.0594 
1 1 1   -2   27   14 o  205.386   64.173  124.818   99.668   33.224  126.678  273.649  161.478  167.840   78.367  242.932  101.643 -75.09189 128.3454 
1 1 1   -2   27   15 o  290.625   93.213  878.598  228.541  938.366  337.808  828.151  310.348  291.254  133.098  289.996  130.536 1.257568 186.4257 
1 1 1   -2   28    1 o  219.076   64.410  169.469  103.719  239.131  124.346   10.163  188.039  256.849   94.437  181.302   87.613 75.54695 128.8196 
1 1 1   -2   28    2 o  189.951   60.955   80.469   91.752   54.485  110.762  137.288  163.788  174.094   78.209  205.807   93.516 -31.71234 121.9095 
1 1 1   -2   28    3 o  215.702   67.910  165.739  117.810  240.933  166.400   90.168  166.817  237.621  101.459  193.783   90.295 43.83780 135.8204 
1 1 1   -2   28    4 f  243.651   76.002  295.297  141.347  296.642  213.706  294.250  188.456  239.942  108.133  247.360  106.828 -7.417786 152.0037 
1 1 1   -2   28    5 o  160.427   77.103 -32.1140  140.947   0.0000   0.0000 -32.1140  140.947  ?   ?   160.427   77.103      ?      ? 
1 1 1   -2   28    6 o  200.204   92.661  119.789  171.181   0.0000   0.0000  119.789  171.181  ?   ?   200.204   92.661      ?      ? 
1 1 1   -2   28    7 o  183.867   87.141   52.080  167.311   0.0000   0.0000   52.080  167.311  ?   ?   183.867   87.141      ?      ? 
1 1 1   -2   28    8 o  167.800   56.128 -85.3043   96.516 -260.3849  123.406  190.482  154.883  115.750   58.376  219.849   95.883 -104.0990 112.2553 
1 1 1   -2   28    9 o  193.380   62.936   95.012  106.294   39.243  136.037  182.433  170.321  173.210   80.986  213.549   96.360 -40.33871 125.8725 
1 1 1   -2   28   10 o  126.857   62.379 -113.7482  107.808 -113.7482  107.808   0.0000   0.0000  126.857   62.379  ?   ?       ?      ? 
1 1 1   -2   28   11 o  188.677   62.672   83.937  114.484   13.745  148.168  187.923  180.343  167.781   80.214  209.573   96.316 -41.79150 125.3434 
1 1 1   -2   29    1 o  230.591   65.522  208.915  118.909  344.018  140.675 -129.1684  222.534  294.624  101.243  166.558   83.202 128.0659 131.0446 
1 1 1   -2   29    2 o  221.659   69.863  202.296  114.753  168.188  134.783  292.153  218.768  213.211   91.182  230.107  105.874 -16.89600 139.7263 
1 1 1   -2   29    3 o  225.183   70.258  232.093  123.088  245.984  151.229  204.831  211.864  238.052   98.876  212.315   99.840 25.73740 140.5150 
1 1 1   -2   29    4 o  154.088   53.129 -60.8865  103.880 -11.8644  127.226 -158.9331  179.926  156.898   74.821  151.278   75.450 5.619644 106.2587 
1 1 1   -2   29    5 o  144.086   50.527 -116.5755   94.641 -159.6385  115.023 -26.3195  166.522  122.972   61.168  165.201   80.438 -42.22890 101.0536 
1 1 1   -2   29    6 o  228.166   71.306  244.646  120.337  206.282  146.942  322.772  209.692  221.155   94.909  235.178  106.445 -14.02272 142.6122 
1 1 1   -2   29    7 o  195.273   61.961  126.444  106.242  195.309  131.961  -0.4352  179.120  220.258   91.997  170.289   83.027 49.96953 123.9227 
1 1 1   -1    0    2 f  396.091   24.290  313.924   52.178  313.924   52.178  313.924   52.178  396.091   34.351  396.091   34.351 -0.000000 0.000000 
1 1 1   -1    0    3 o  752.845   21.346  1113.99   88.365  1113.99   88.365  1113.99   88.365  752.845   30.188  752.845   30.188 -0.000000 0.000000 
1 1 1   -1    0    4 o  759.051   21.439  1132.48   89.485  1132.48   89.485  1132.48   89.485  759.051   30.320  759.051   30.320 -0.000000 0.000000 
1 1 1   -1    0    5 o  1306.00   30.673  3357.35  220.529  3357.35  220.529  3357.35  220.529  1306.00   43.379  1306.00   43.379 -0.000000 0.000000 
1 1 1   -1    0    6 o  204.213   16.306   84.565   17.773   84.565   17.773   84.565   17.773  204.213   23.060  204.213   23.060 0.000000 0.000000 
1 1 1   -1    0    7 o  570.531   18.885  640.786   59.166  640.786   59.166  640.786   59.166  570.531   26.708  570.531   26.708 -0.000000 0.000000 
1 1 1   -1    0    8 o  843.238   22.812  1398.76  105.809  1398.76  105.809  1398.76  105.809  843.238   32.262  843.238   32.262 -0.000000 0.000000 
1 1 1   -1    0    9 o  354.621   24.247  253.331   46.435  253.331   46.435  253.331   46.435  354.621   34.291  354.621   34.291 -0.000000 0.000000 
1 1 1   -1    0   10 o  842.273   22.848  1397.24  105.850  1397.24  105.850  1397.24  105.850  842.273   32.312  842.273   32.312 -0.000000 0.000000 
1 1 1   -1    0   11 o  173.591   17.776   62.576   15.991   62.576   15.991   62.576   15.991  173.591   25.139  173.591   25.139 0.000000 0.000000 
1 1 1   -1    0   12 f  690.145   20.663  940.286   78.382  940.286   78.382  940.286   78.382  690.145   29.222  690.145   29.222 -0.000000 0.000000 
1 1 1   -1    0   13 o  565.295   18.990  631.710   58.939  631.710   58.939  631.710   58.939  565.295   26.856  565.295   26.856 0.000000 0.000000 
1 1 1   -1    0   14 o  976.367   36.077  1918.46  193.183  1918.46  193.183  1918.46  193.183  976.367   51.020  976.367   51.020 -0.000000 0.000000 
1 1 1   -1    0   15 o  364.478   17.038  263.742   33.929  263.742   33.929  263.742   33.929  364.478   24.096  364.478   24.096 -0.000000 0.000000 
1 1 1   -1    0   16 o  570.007   19.061  641.213   59.655  641.213   59.655  641.213   59.655  570.007   26.956  570.007   26.956 0.000000 0.000000 
1 1 1   -1    0   17 o  238.719   17.120  114.947   22.023  114.947   22.023  114.947   22.023  238.719   24.211  238.719   24.211 0.000000 0.000000 
1 1 1   -1    0   18 o  717.116   21.105  1013.30   83.195  1013.30   83.195  1013.30   83.195  717.116   29.846  717.116   29.846 0.000000 0.000000 
1 1 1   -1    0   19 o  542.164   18.807  579.677   55.965  579.677   55.965  579.677   55.965  542.164   26.598  542.164   26.598 -0.000000 0.000000 
1 1 1   -1    0   20 o  957.405   24.779  1806.71  130.531  1806.71  130.531  1806.71  130.531  957.405   35.043  957.405   35.043 0.000000 0.000000 
1 1 1   -1    0   21 o  1103.11   39.162  2430.84  237.046  2430.84  237.046  2430.84  237.046  1103.11   55.384  1103.11   55.384 0.000000 0.000000 
1 1 1   -1    0   22 f  945.012   24.712  1761.87  128.482  1761.87  128.482  1761.87  128.482  945.012   34.948  945.012   34.948 0.000000 0.000000 
1 1 1   -1    0   23 o  503.797   18.690  501.413   51.638  501.413   51.638  501.413   51.638  503.797   26.431  503.797   26.431 -0.000000 0.000000 
1 1 1   -1    0   24 o  227.742   19.555  106.062   23.612  106.062   23.612  106.062   23.612  227.742   27.655  227.742   27.655 -0.000000 0.000000 
1 1 1   -1    0   25 o  554.878   19.445  608.402   59.213  608.402   59.213  608.402   59.213  554.878   27.500  554.878   27.500 -0.000000 0.000000 
1 1 1   -1    0   26 o  169.729   32.167   67.747   26.038   67.747   26.038   67.747   26.038  169.729   45.491  169.729   45.491 -0.000000 0.000000 
1 1 1   -1    0   27 o  779.520   22.451  1204.09   96.219  1204.09   96.219  1204.09   96.219  779.520   31.750  779.520   31.750 -0.000000 0.000000 
1 1 1   -1    0   28 o   88.282   29.877   22.797   16.738   22.797   16.738   22.797   16.738   88.282   42.253   88.282   42.253 -0.000000 0.000000 
1 1 1   -1    0   29 o  157.326   30.597   59.115   22.972   59.115   22.972   59.115   22.972  157.326   43.270  157.326   43.270 -0.000000 0.000000 
1 1 1   -1    0   30 o  354.396   19.988  253.310   38.521  253.310   38.521  253.310   38.521  354.396   28.267  354.396   28.267 -0.000000 0.000000 
1 1 1   -1    0   31 o  209.893   25.999   95.446   27.352   95.446   27.352   95.446   27.352  209.893   36.769  209.893   36.769 -0.000000 0.000000 
1 1 1   -1    0   32 o  576.836   21.517  668.043   68.063  668.043   68.063  668.043   68.063  576.836   30.430  576.836   30.430 -0.000000 0.000000 
1 1 1   -1    0   33 f  163.598   59.274   92.016   67.885   92.016   67.885   92.016   67.885  163.598   83.827  163.598   83.827 0.000000 0.000000 
1 1 1   -1    0   34 o  445.783   21.601  404.388   52.571  404.388   52.571  404.388   52.571  445.783   30.549  445.783   30.549 0.000000 0.000000 
1 1 1   -1    0   35 o  322.769   23.255  216.753   40.438  216.753   40.438  216.753   40.438  322.769   32.888  322.769   32.888 0.000000 0.000000 
1 1 1   -1    0   36 o   97.738   34.035   29.609   21.936   29.609   21.936   29.609   21.936   97.738   48.133   97.738   48.133 0.000000 0.000000 
1 1 1   -1    0   37 o  219.239   32.493  111.192   34.631  111.192   34.631  111.192   34.631  219.239   45.953  219.239   45.953 0.000000 0.000000 
1 1 1   -1    1    1 o  1179.79  186.300  3228.47  857.727   0.0000   0.0000  3228.47  857.727  ?   ?   1179.79  186.300      ?      ? 
1 1 1   -1    1    2 o  538.183   18.251  566.978   38.323  580.810   54.832  553.770   53.582  544.597   25.800  531.768   25.821 12.82971 36.50163 
1 1 1   -1    1    3 o  977.294   24.873  1876.40   94.860  1884.81  134.596  1868.10  133.714  979.463   35.214  975.125   35.139 4.338562 49.74651 
1 1 1   -1    1    4 o  830.664   22.465  1353.87   72.814  1368.58  103.936  1339.69  102.039  835.076   31.894  826.250   31.646 8.825745 44.92999 
1 1 1   -1    1    5 o  907.199   23.855  1616.46   84.445  1632.74  120.484  1600.74  118.391  911.664   33.866  902.734   33.607 8.930298 47.71077 
1 1 1   -1    1    6 o  293.562   15.897  168.522   18.180  154.982   25.306  182.963   26.134  281.364   23.047  305.759   21.903 -24.39560 31.79454 
1 1 1   -1    1    7 f  1172.26   28.310  2709.63  129.485  2675.91  181.057  2744.92  185.255  1164.86   39.830  1179.66   40.242 -14.79480 56.62039 
1 1 1   -1    1    8 o  526.334   18.225  543.174   37.433  547.517   53.151  538.901   52.726  528.420   25.775  524.247   25.773 4.173889 36.44993 
1 1 1   -1    1    9 o  738.426   30.030  1079.97   86.536  1076.76  122.007  1083.23  122.756  737.337   42.402  739.515   42.537 -2.178589 60.06081 
1 1 1   -1    1   10 o  394.497   16.885  304.984   25.974  288.414   36.105  322.757   37.393  383.381   24.133  405.612   23.623 -22.23163 33.77079 
1 1 1   -1    1   11 o  157.711   16.356   48.851   10.055   51.798   14.304   45.972   14.138  162.437   22.565  152.984   23.682 9.453262 32.71124 
1 1 1   -1    1   12 o  512.901   18.215  518.130   36.445  500.659   50.774  536.697   52.343  503.978   25.816  521.825   25.704 -17.84637 36.43051 
1 1 1   -1    1   13 o  490.356   17.994  474.429   34.424  488.916   49.213  460.551   48.169  497.707   25.338  483.006   25.555 14.70087 35.98740 
1 1 1   -1    1   14 o  326.035   23.377  210.848   29.682  230.525   43.198  193.249   40.854  340.506   32.509  311.565   33.601 28.94104 46.75341 
1 1 1   -1    1   15 o  677.879   25.106  917.850   62.812  902.185  107.397  925.994   77.436  671.303   40.996  684.456   28.991 -13.15308 50.21145 
1 1 1   -1    1   16 o  769.546   21.766  1169.21   65.346  1196.02   93.784  1143.91   91.101  778.083   30.887  761.009   30.676 17.07391 43.53189 
1 1 1   -1    1   17 o  973.899   25.043  1877.38   95.174  1865.65  134.002  1889.32  135.198  970.849   35.369  976.950   35.462 -6.101135 50.08561 
1 1 1   -1    1   18 o  422.088   20.988  346.172   32.616  337.096   39.745  364.888   57.075  414.336   24.581  429.839   34.026 -15.50293 41.97601 
1 1 1   -1    1   19 f  684.717   20.497  922.461   54.767  919.818   77.212  925.136   77.695  683.740   28.938  685.694   29.036 -1.954285 40.99339 
1 1 1   -1    1   20 o  727.498   21.158  1041.23   60.042  1071.09   86.410  1013.36   83.491  737.553   30.022  717.443   29.821 20.11011 42.31536 
1 1 1   -1    1   21 o  1462.36   69.830  4391.51  398.501   0.0000   0.0000  4391.51  398.501  ?   ?   1462.36   69.830      ?      ? 
1 1 1   -1    1   22 o  375.462   22.070  280.503   29.914  284.484   36.171  271.886   53.209  380.532   24.358  370.391   36.812 10.14087 44.14100 
1 1 1   -1    1   23 o  994.305   25.506  1959.49   98.952  1937.57  138.410  1982.42  141.521  988.702   35.873  999.908   36.269 -11.20538 51.01256 
1 1 1   -1    1   24 o  886.789   23.790  1557.00   82.327  1564.49  116.594  1549.56  116.262  888.928   33.611  884.649   33.677 4.278320 47.57974 
1 1 1   -1    1   25 o  589.226   19.699  684.714   45.281  673.025   63.075  697.144   65.045  584.083   27.673  594.369   28.043 -10.28601 39.39803 
1 1 1   -1    1   26 o  523.490   26.502  547.603   54.137  539.268   76.412  556.002   76.710  519.419   37.697  527.562   37.261 -8.142273 53.00426 
1 1 1   -1    1   27 o  759.405   22.329  1148.77   66.163  1172.24   94.564  1126.25   92.603  766.995   31.594  751.815   31.563 15.18011 44.65895 
1 1 1   -1    1   28 o  251.165   19.740  125.436   19.333  120.160   26.724  131.228   28.001  245.641   27.879  256.690   27.954 -11.04921 39.47966 
1 1 1   -1    1   29 f  159.632   24.809   53.524   15.037   57.203   21.525   50.017   21.015  165.217   34.499  154.046   35.663 11.17105 49.61856 
1 1 1   -1    1   30 o  317.022   19.844  202.052   24.535  204.990   34.273  198.964   35.139  319.575   27.482  314.468   28.634 5.107697 39.68813 
1 1 1   -1    1   31 o  234.039   22.470  111.292   20.424   97.753   28.446  125.700   29.343  218.889   33.302  249.189   30.175 -30.30066 44.93935 
1 1 1   -1    1   32 o  530.366   21.066  570.081   43.537  556.242   59.713  585.787   63.613  523.903   29.207  536.829   30.365 -12.92664 42.13206 
1 1 1   -1    1   33 o  382.635   38.774  319.014   56.258  280.734   70.269  387.357   93.891  355.801   50.609  409.470   58.759 -53.66891 77.54896 
1 1 1   -1    1   34 o  310.722   22.262  200.331   26.969  202.997   37.523  197.482   38.788  313.319   30.688  308.124   32.258 5.195557 44.52366 
1 1 1   -1    1   35 o  221.289   24.389  103.327   21.051  107.710   30.107   99.135   29.446  226.053   34.129  216.525   34.849 9.527893 48.77735 
1 1 1   -1    1   36 o  148.785   29.039   50.334   17.538   43.583   25.656   56.256   24.030  139.072   42.951  158.499   39.094 -19.42711 58.07848 
1 1 1   -1    1   37 o  319.333   24.745  219.797   30.357  257.072   42.565  181.213   43.306  350.025   31.162  288.642   38.446 61.38239 49.48910 
1 1 1   -1    2    1 o  404.466   63.769  345.473   98.098  353.754  139.238  337.312  138.230  409.499   89.619  399.432   90.744 10.06708 127.5389 
1 1 1   -1    2    2 o  377.618   45.507  277.017   42.637  272.964   45.388  307.438  124.350  373.018   31.180  382.219   85.507 -9.201294 91.01477 
1 1 1   -1    2    3 o  489.267   23.578  469.435   44.988  492.688   64.870  447.889   62.444  500.940   33.184  477.594   33.504 23.34607 47.15635 
1 1 1   -1    2    4 o  1200.23   34.761  2896.94  159.681  3169.36  212.982  2547.25  241.306  1267.66   43.053  1132.79   54.587 134.8706 69.52188 
1 1 1   -1    2    5 o  1684.15   38.247  5627.76  251.195  5761.39  363.404  5505.50  347.609  1702.95   54.683  1665.35   53.488 37.60583 76.49306 
1 1 1   -1    2    6 o  958.821   24.582  1804.88   91.882  1868.95  133.720  1747.56  126.465  974.835   35.151  942.808   34.373 32.02740 49.16354 
1 1 1   -1    2    7 o  589.573   19.012  681.325   43.731  696.539   62.677  666.892   61.046  595.977   26.949  583.169   26.824 12.80774 38.02383 
1 1 1   -1    2    8 o  504.566   21.917  495.847   40.671  514.045   71.066  486.984   49.596  510.792   35.652  498.341   25.503 12.45053 43.83461 
1 1 1   -1    2    9 f  231.477   19.740  105.541   16.665  106.062   20.275  104.455   29.260  232.641   22.333  230.313   32.556 2.328796 39.47974 
1 1 1   -1    2   10 o  348.732   16.520  238.557   22.479  233.076   31.525  244.226   32.062  344.652   23.440  352.812   23.287 -8.160004 33.04063 
1 1 1   -1    2   11 o  268.312   16.041  141.388   16.796  141.344   23.765  141.432   23.742  268.269   22.701  268.355   22.671 -0.8575439E-01 32.08285 
1 1 1   -1    2   12 o  340.272   16.596  227.283   21.977  204.711   30.298  252.344   31.925  322.414   24.081  358.129   22.843 -35.71490 33.19185 
1 1 1   -1    2   13 o  595.734   23.668  702.542   51.738  694.722   63.096  718.590   90.390  592.700   27.280  598.767   38.684 -6.067200 47.33502 
1 1 1   -1    2   14 o  211.875   25.638   91.890   20.433  109.555   28.873   74.166   28.922  234.903   31.497  188.848   40.462 46.05557 51.27621 
1 1 1   -1    2   15 o  496.668   22.287  496.880   41.058  459.850   68.362  517.775   51.352  480.720   36.441  512.617   25.671 -31.89636 44.57484 
1 1 1   -1    2   16 o  863.148   23.227  1473.51   78.228  1487.98  111.545  1459.51  109.741  867.277   32.958  859.019   32.737 8.257568 46.45330 
1 1 1   -1    2   17 o  445.118   17.550  389.255   30.483  386.767   42.772  391.823   43.454  443.687   24.703  446.548   24.936 -2.861725 35.10085 
1 1 1   -1    2   18 o  366.333   20.549  266.595   27.860  272.155   34.537  256.238   47.141  372.380   23.767  360.286   33.529 12.09335 41.09781 
1 1 1   -1    2   19 o  1236.73   29.706  3036.45  143.350  3070.29  204.591  3003.82  200.913  1243.42   42.164  1230.04   41.856 13.37720 59.41106 
1 1 1   -1    2   20 o  378.922   17.374  281.977   25.664  298.588   36.445  265.639   36.145  390.054   23.943  367.791   25.183 22.26312 34.74865 
1 1 1   -1    2   21 o  808.122   32.181  1300.77  101.355  1263.06  139.159  1343.37  147.918  795.943   44.802  820.301   46.208 -24.35785 64.36138 
1 1 1   -1    2   22 o  270.435   17.184  143.652   18.126  142.694   25.205  144.678   26.086  269.527   23.964  271.342   24.636 -1.815887 34.36855 
1 1 1   -1    2   23 o  519.699   18.828  530.987   38.158  515.363   52.756  548.128   55.257  511.727   26.418  527.672   26.834 -15.94458 37.65643 
1 1 1   -1    2   24 o  531.879   19.145  556.952   39.712  548.298   55.024  566.360   57.371  527.635   26.723  536.123   27.422 -8.488403 38.28946 
1 1 1   -1    2   25 o  460.701   18.666  417.920   33.464  462.599   48.192  376.316   46.504  484.614   25.483  436.789   27.282 47.82559 37.33219 
1 1 1   -1    2   26 o  362.837   24.626  262.063   34.827  267.599   50.712  257.121   47.911  366.318   35.475  359.356   34.165 6.962097 49.25182 
1 1 1   -1    2   27 o  673.797   21.183  902.583   55.659  890.091   77.046  916.218   80.495  669.116   29.506  678.478   30.402 -9.361694 42.36640 
1 1 1   -1    2   28 o  378.552   19.068  285.321   28.098  288.461   38.532  281.756   41.061  381.057   25.912  376.047   27.981 5.010010 38.13569 
1 1 1   -1    2   29 o  389.882   19.538  303.023   29.630  291.587   40.032  316.879   44.063  382.043   26.852  397.721   28.390 -15.67877 39.07675 
1 1 1   -1    2   30 o  228.403   21.451  105.502   19.082  107.723   26.364  103.059   27.655  231.212   29.219  225.594   31.413 5.617111 42.90155 
1 1 1   -1    2   31 o  412.576   20.358  343.449   32.637  342.802   44.169  344.227   48.436  412.783   27.420  412.368   30.099 0.4151917 40.71626 
1 1 1   -1    2   32 o  258.641   22.643  135.887   22.627  111.734   30.877  163.900   33.254  233.241   33.924  284.041   30.000 -50.80011 45.28635 
1 1 1   -1    2   33 o  315.303   47.976  242.924   53.366  239.585   63.189  251.229   99.656  329.552   49.135  301.053   82.416 28.49860 95.95132 
1 1 1   -1    2   34 o   73.968   22.476  -0.8793   10.977   7.8176   19.513  -4.9058   13.277   87.391   35.828   60.544   27.147 26.84619 44.95118 
1 1 1   -1    2   35 o  422.263   21.834  370.444   35.960  356.815   49.939  385.122   51.824  414.190   30.896  430.336   30.860 -16.14700 43.66810 
1 1 1   -1    2   36 o  274.812   24.089  158.843   25.470  195.858   37.353  126.678   34.820  306.283   31.251  243.341   36.667 62.94202 48.17813 
1 1 1   -1    2   37 o  174.329   30.178   70.398   20.379   64.583   30.102   75.319   27.691  166.024   45.232  182.635   39.963 -16.61072 60.35680 
1 1 1   -1    3    1 o  865.154   97.661  1612.45  319.824  1929.18  479.978  1359.53  428.917  950.300  129.428  780.008  146.284 170.2913 195.3218 
1 1 1   -1    3    2 o  276.524   53.595  159.047   59.564  162.796   84.412  155.330   84.061  279.571   75.568  273.478   76.022 6.092987 107.1908 
1 1 1   -1    3    3 o  1093.93  122.384  2744.01  522.440  2770.30  741.249  2718.06  736.457  1099.43  172.769  1088.43  173.386 10.99463 244.7690 
1 1 1   -1    3    4 o  910.161   74.110  1627.33  148.737  1606.91  155.585  1844.12  506.916  902.180   44.192  918.143  141.480 -15.96234 148.2207 
1 1 1   -1    3    5 o  905.227   31.325  1614.87  110.498  1689.79  161.659  1549.18  151.381  924.760   44.796  885.695   43.798 39.06580 62.64957 
1 1 1   -1    3    6 f  340.611   19.373  232.028   24.786  246.206   31.647  209.533   39.864  354.597   22.870  326.625   31.275 27.97174 38.74525 
1 1 1   -1    3    7 o  747.862   26.114  1085.47   70.956  1148.16  127.488  1057.34   85.407  761.979   42.874  733.744   29.827 28.23499 52.22886 
1 1 1   -1    3    8 o  1006.33   31.083  2037.24  117.647  2132.33  149.909  1884.76  189.827  1039.65   36.950  973.018   49.993 66.62915 62.16533 
1 1 1   -1    3    9 o  157.178   16.642   49.502   9.7961   60.278   13.991   39.138   13.721  175.423   20.437  138.933   26.270 36.48924 33.28334 
1 1 1   -1    3   10 o  573.689   18.903  646.460   42.293  673.736   61.076  621.332   58.622  585.300   26.740  562.079   26.726 23.22101 37.80604 
1 1 1   -1    3   11 o  303.244   16.391  180.765   19.391  186.613   27.517  174.997   27.329  308.144   22.883  298.344   23.473 9.799957 32.78147 
1 1 1   -1    3   12 o  194.513   16.554   74.465   12.555   70.365   17.544   78.769   17.976  188.999   23.787  200.027   23.029 -11.02745 33.10802 
1 1 1   -1    3   13 o  344.830   23.636  236.040   31.757  251.929   46.440  222.084   43.524  355.690   33.457  333.970   33.396 21.72049 47.27235 
1 1 1   -1    3   14 f  214.318   26.011   93.331   21.207   98.880   29.472   87.373   30.538  222.952   33.874  205.684   39.481 17.26817 52.02172 
1 1 1   -1    3   15 o  879.220   28.855  1558.17   94.343  1496.40  157.730  1592.57  117.722  862.254   46.876  896.186   33.661 -33.93213 57.70967 
1 1 1   -1    3   16 o  614.771   19.611  744.360   47.045  755.781   66.914  733.196   66.157  619.445   27.681  610.097   27.787 9.347839 39.22198 
1 1 1   -1    3   17 o  641.615   24.585  814.045   58.007  813.912  100.419  814.111   71.061  640.146   40.198  643.084   28.316 -2.937500 49.16992 
1 1 1   -1    3   18 o  197.841   20.385   80.273   14.565   86.252   18.439   70.353   23.752  209.705   22.531  185.977   33.979 23.72873 40.77084 
1 1 1   -1    3   19 o  972.621   25.008  1868.87   94.918  1868.21  133.949  1869.54  134.521  972.471   35.296  972.771   35.436 -0.2997437 50.01574 
1 1 1   -1    3   20 o  788.362   27.130  1237.18   79.247  1210.74  134.336  1251.29   98.142  779.975   44.135  796.748   31.565 -16.77319 54.26058 
1 1 1   -1    3   21 o  613.562   25.027  737.832   55.041  727.487   65.721  762.134  100.727  608.044   27.697  619.081   41.693 -11.03687 50.05468 
1 1 1   -1    3   22 o  876.255   23.560  1517.37   80.546  1499.10  112.447  1536.63  115.429  870.919   33.086  881.591   33.552 -10.67279 47.12083 
1 1 1   -1    3   23 o  856.739   23.364  1451.44   78.099  1438.75  109.182  1464.73  111.762  852.990   32.800  860.488   33.283 -7.498047 46.72873 
1 1 1   -1    3   24 o  471.498   18.762  438.191   34.492  449.872   48.222  425.955   49.356  478.048   25.849  464.948   27.202 13.10092 37.52467 
1 1 1   -1    3   25 o  1569.64   45.782  5109.64  263.829  5113.60  323.645  5101.80  455.500  1586.71   52.269  1552.56   75.181 34.14075 91.56496 
1 1 1   -1    3   26 o  411.419   22.804  331.106   35.168  355.744   59.431  317.831   43.625  422.051   36.084  400.787   27.893 21.26358 45.60785 
1 1 1   -1    3   27 o  478.250   19.412  445.823   35.885  395.715   46.984  515.970   55.591  446.713   26.952  509.787   27.944 -63.07425 38.82366 
1 1 1   -1    3   28 o  655.023   21.276  856.076   54.242  829.348   73.647  887.762   80.188  644.299   29.291  665.746   30.865 -21.44690 42.55145 
1 1 1   -1    3   29 o  204.016   23.458   85.223   18.171   74.381   25.167   97.031   26.264  188.507   35.515  219.525   30.658 -31.01805 46.91700 
1 1 1   -1    3   30 o  260.066   20.841  137.125   21.008  153.032   29.474  120.698   29.952  276.066   27.358  244.066   31.447 31.99968 41.68212 
1 1 1   -1    3   31 o  139.264   25.270   38.840   14.005   58.455   22.107   25.691   18.100  166.027   35.212  112.502   36.256 53.52482 50.54089 
1 1 1   -1    3   32 o  295.838   28.018  174.742   30.144  207.642   55.127  160.709   36.002  311.666   45.326  280.010   32.948 31.65625 56.03569 
1 1 1   -1    3   33 o  407.344   45.410  444.212   48.352  473.157   53.502  315.179  112.961  481.727   28.460  332.960   86.246 148.7667 90.81999 
1 1 1   -1    3   34 o  116.126   27.045   28.841   14.372   20.078   23.729   33.919   18.062  107.332   40.877  124.919   35.422 -17.58702 54.08929 
1 1 1   -1    3   35 o  274.297   23.676  158.243   25.017  128.408   34.660  190.693   36.147  245.640   36.157  302.954   30.575 -57.31383 47.35112 
1 1 1   -1    3   36 o  344.236   22.181  247.603   29.757  263.959   42.453  231.805   41.723  355.993   30.559  332.480   32.157 23.51263 44.36142 
1 1 1   -1    3   37 o  337.659   24.383  242.769   31.979  236.971   43.017  249.932   47.812  334.417   32.962  340.902   35.940 -6.485138 48.76656 
1 1 1   -1    4    1 f  556.223   71.986  647.326  152.518  740.808  222.594  564.599  209.397  600.306   95.018  512.140  108.165 88.16614 143.9726 
1 1 1   -1    4    2 o  306.173   55.639  196.342   67.039  220.077   96.028  173.777   93.631  323.886   77.089  288.460   80.249 35.42648 111.2770 
1 1 1   -1    4    3 o  519.904   72.480  577.704  141.824  583.451  200.983  572.005  200.159  522.654  102.202  517.154  102.801 5.499512 144.9597 
1 1 1   -1    4    4 o  851.734   96.412  1583.58  320.451  1592.01  453.930  1575.20  452.447  854.097  136.191  849.370  136.502 4.726257 192.8235 
1 1 1   -1    4    5 o  610.092   77.502  794.079  180.658  842.458  259.208  748.380  251.925  634.053  104.759  586.130  114.246 47.92267 155.0049 
1 1 1   -1    4    6 o  696.287  124.754  1073.64  326.530  1073.64  326.530   0.0000   0.0000  696.287  124.754  ?   ?       ?      ? 
1 1 1   -1    4    7 o  447.634   24.248  395.866   42.217  422.230   58.836  367.886   60.613  463.250   32.546  432.017   35.953 31.23236 48.49556 
1 1 1   -1    4    8 o  272.258   18.759  145.459   19.165  145.260   24.008  145.809   31.823  272.233   22.598  272.283   29.950 -0.4934692E-01 37.51898 
1 1 1   -1    4    9 o  471.055   21.016  449.792   37.390  508.490   49.328  370.523   57.323  508.887   24.839  433.224   33.907 75.66263 42.03150 
1 1 1   -1    4   10 o  314.721   20.528  196.945   23.465  199.961   28.528  190.636   41.262  319.091   22.910  310.351   34.069 8.740692 41.05568 
1 1 1   -1    4   11 o  495.745   25.612  484.402   49.549   0.0000   0.0000  484.402   49.549  ?   ?   495.745   25.612      ?      ? 
1 1 1   -1    4   12 o  153.278   20.358   47.149   11.533   46.500   14.548   48.248   18.923  153.566   24.276  152.989   32.687 0.5765076 40.71590 
1 1 1   -1    4   13 f  327.193   20.499  208.235   24.722  223.753   43.328  200.744   30.103  335.319   33.111  319.066   24.176 16.25366 40.99826 
1 1 1   -1    4   14 o  346.280   21.747  245.142   27.123  259.274   33.157  216.562   47.153  362.937   23.411  329.623   36.657 33.31415 43.49467 
1 1 1   -1    4   15 o  592.865   19.318  692.702   44.695  690.632   63.095  694.786   63.321  591.977   27.312  593.752   27.328 -1.774414 38.63660 
1 1 1   -1    4   16 o  843.366   22.973  1403.89   75.570  1447.90  109.007  1363.17  104.858  856.033   32.631  830.699   32.346 25.33411 45.94662 
1 1 1   -1    4   17 o  502.702   22.687  501.147   42.036  490.451   72.057  506.665   51.755  497.686   37.101  507.717   26.122 -10.03036 45.37473 
1 1 1   -1    4   18 o  306.621   16.837  184.777   20.113  191.401   27.999  177.715   28.912  312.368   22.969  300.874   24.624 11.49466 33.67410 
1 1 1   -1    4   19 o  1279.01   30.527  3251.13  152.361  3277.67  216.781  3225.23  214.184  1284.12   43.260  1273.90   43.084 10.22034 61.05468 
1 1 1   -1    4   20 o  710.542   25.808  997.803   67.868  1001.84  116.096  995.707   83.650  710.087   41.896  710.997   30.149 -0.9093018 51.61609 
1 1 1   -1    4   21 o  855.998   29.289  1467.42   91.486  1486.99  111.685  1427.51  159.497  867.695   32.984  844.302   48.409 23.39270 58.57730 
1 1 1   -1    4   22 o  617.601   20.139  749.548   48.438  723.132   65.997  780.391   71.313  605.954   27.910  629.247   29.041 -23.29242 40.27846 
1 1 1   -1    4   23 o  794.620   22.633  1237.86   69.778  1159.12   92.823  1340.18  105.811  766.100   31.048  823.140   32.940 -57.04004 45.26638 
1 1 1   -1    4   24 o  147.577   21.852   44.601   12.182   47.432   17.370   41.862   17.090  152.367   30.280  142.786   31.515 9.580338 43.70427 
1 1 1   -1    4   25 o  694.267   25.533  973.284   66.335  1012.33   83.819  907.845  108.517  715.295   30.028  673.239   41.305 42.05676 51.06605 
1 1 1   -1    4   26 o  524.892   29.928  546.688   61.302   0.0000   0.0000  546.688   61.302  ?   ?   524.892   29.928      ?      ? 
1 1 1   -1    4   27 o  368.725   19.442  267.020   27.691  250.463   36.227  290.289   42.946  355.442   26.117  382.007   28.808 -26.56494 38.88478 
1 1 1   -1    4   28 o  363.037   20.078  263.221   28.190  263.497   37.484  262.861   42.772  363.819   26.401  362.255   30.256 1.564056 40.15545 
1 1 1   -1    4   29 o  279.806   21.213  158.375   22.982  165.501   31.105  149.807   34.105  287.394   27.735  272.218   32.105 15.17657 42.42579 
1 1 1   -1    4   30 o  573.128   32.500  667.699   72.690   0.0000   0.0000  667.699   72.690  ?   ?   573.128   32.500      ?      ? 
1 1 1   -1    4   31 o  723.848   34.485  1073.85   97.412   0.0000   0.0000  1073.85   97.412  ?   ?   723.848   34.485      ?      ? 
1 1 1   -1    4   32 o  184.729   32.004   82.574   23.079   46.670   42.525   97.565   27.477  151.203   55.282  218.255   32.261 -67.05208 64.00701 
1 1 1   -1    4   33 o  512.549   73.925  673.336  147.863   0.0000   0.0000  673.336  147.863  ?   ?   512.549   73.925      ?      ? 
1 1 1   -1    4   34 o   80.982   24.158   4.5282   11.144   6.0171   23.886   4.1139   12.600   92.115   38.846   69.848   28.731 22.26640 48.31689 
1 1 1   -1    4   35 o   91.307   25.538   8.6737   11.950   22.604   24.144   4.1535   13.753  110.391   41.416   72.223   29.893 38.16808 51.07685 
1 1 1   -1    4   36 o  173.650   29.725   68.567   19.733   68.707   30.636   68.467   25.796  172.128   45.075  175.171   38.762 -3.043274 59.45008 
1 1 1   -1    4   37 o  249.175   31.047  137.598   27.860  153.110   48.474  129.947   34.044  252.449   50.960  245.901   35.477 6.547333 62.09345 
1 1 1   -1    5    1 o  763.164   78.736  1250.71  213.767  1280.30  263.565  1193.82  365.438  791.911   85.286  734.418  132.378 57.49323 157.4729 
1 1 1   -1    5    2 o  390.308   62.666  323.319   93.331  350.154  133.615  297.751  130.425  406.814   86.809  373.802   90.400 33.01154 125.3313 
1 1 1   -1    5    3 o  647.495  117.635  913.530  286.290  913.530  286.290   0.0000   0.0000  647.495  117.635  ?   ?       ?      ? 
1 1 1   -1    5    4 o  265.595   74.575  147.122   80.468  147.122   80.468   0.0000   0.0000  265.595   74.575  ?   ?       ?      ? 
1 1 1   -1    5    5 o  373.925   87.807  298.881  125.942  298.881  125.942   0.0000   0.0000  373.925   87.807  ?   ?       ?      ? 
1 1 1   -1    5    6 o  974.546  118.472  2279.47  441.753  2245.75  621.678  2313.85  627.834  959.381  172.388  989.711  162.557 -30.33026 236.9438 
1 1 1   -1    5    7 o  633.933   60.903  831.467   89.334  828.227   94.654  857.873  270.263  647.521   37.459  620.344  115.903 27.17749 121.8056 
1 1 1   -1    5    8 f  353.757   45.231  289.943   42.009  303.503   45.629  214.498  107.623  392.667   29.777  314.848   85.422 77.81882 90.46297 
1 1 1   -1    5    9 o  358.562   31.095  253.701   43.510   0.0000   0.0000  253.701   43.510  ?   ?   358.562   31.095      ?      ? 
1 1 1   -1    5   10 o  454.108   51.894  464.438   45.931  469.350   47.873  407.562  162.911  488.216   25.127  420.001  100.700 68.21515 103.7877 
1 1 1   -1    5   11 o  597.842   63.706  877.182   71.690  893.595   74.835  694.166  249.895  672.050   28.535  523.633  124.175 148.4174 127.4114 
1 1 1   -1    5   12 o  430.939   24.072  365.143   40.188  413.132   61.505  329.390   53.088  455.163   34.627  406.715   33.448 48.44717 48.14373 
1 1 1   -1    5   13 o  230.414   21.564  116.814   16.797  137.712   20.965   79.348   28.072  264.732   20.293  196.096   38.056 68.63576 43.12832 
1 1 1   -1    5   14 o  120.069   19.704   29.511   9.0562   27.412   12.557   31.786   13.073  115.588   28.110  124.550   27.621 -8.962036 39.40879 
1 1 1   -1    5   15 o  244.088   16.952  117.606   15.990  137.901   22.802   97.968   22.430  265.036   22.046  223.141   25.758 41.89494 33.90454 
1 1 1   -1    5   16 o  343.624   17.008  231.865   22.729  258.332   32.618  206.887   31.688  362.774   23.041  324.474   25.026 38.29968 34.01694 
1 1 1   -1    5   17 o  616.737   24.188  713.022   53.327  847.338  101.091  661.233   62.772  653.658   39.630  579.817   27.742 73.84119 48.37572 
1 1 1   -1    5   18 o  625.497   19.945  769.229   48.667  797.869   69.437  741.576   68.230  636.984   27.934  614.009   28.475 22.97479 39.88935 
1 1 1   -1    5   19 o  882.126   29.210  1513.58   93.283  1627.86  169.225  1463.69  111.802  902.938   48.026  861.314   33.263 41.62421 58.42003 
1 1 1   -1    5   20 o  831.030   28.852  1378.64   87.163  1391.68  105.931  1351.30  153.376  839.856   32.321  822.204   47.802 17.65173 57.70347 
1 1 1   -1    5   21 o  341.382   18.057  228.850   23.979  226.065   32.545  232.158   35.464  339.205   24.586  343.559   26.452 -4.354095 36.11347 
1 1 1   -1    5   22 o  742.060   21.960  1085.57   63.487  1062.09   86.938  1112.38   92.929  733.668   30.365  750.452   31.732 -16.78387 43.91999 
1 1 1   -1    5   23 o  699.652   21.512  966.753   58.706  1003.62   83.121  930.057   82.924  713.115   29.869  686.190   30.967 26.92523 43.02469 
1 1 1   -1    5   24 f  509.193   22.605  517.104   42.951  527.191   53.743  499.271   71.458  517.224   26.626  501.161   36.538 16.06229 45.21030 
1 1 1   -1    5   25 o  1000.21   37.719  1997.43  147.224   0.0000   0.0000  1997.43  147.224  ?   ?   1000.21   37.719      ?      ? 
1 1 1   -1    5   26 o  587.630   25.704  691.465   56.791  692.334   93.675  690.960   71.411  585.865   40.973  589.396   31.047 -3.530518 51.40714 
1 1 1   -1    5   27 o  367.473   19.773  266.012   28.121  249.672   37.041  288.246   43.207  354.572   26.770  380.373   29.108 -25.80148 39.54614 
1 1 1   -1    5   28 o  472.601   30.513  448.229   56.275   0.0000   0.0000  448.229   56.275  ?   ?   472.601   30.513      ?      ? 
1 1 1   -1    5   29 o  757.393   34.692  1168.20  102.536   0.0000   0.0000  1168.20  102.536  ?   ?   757.393   34.692      ?      ? 
1 1 1   -1    5   30 o  404.660   20.722  332.503   32.379  346.687   43.404  314.706   48.620  415.570   26.764  393.750   31.642 21.82007 41.44333 
1 1 1   -1    5   31 o  510.595   33.935  534.054   67.617   0.0000   0.0000  534.054   67.617  ?   ?   510.595   33.935      ?      ? 
1 1 1   -1    5   32 o  299.319   22.534  180.927   26.123  156.345   34.717  213.008   39.660  276.062   32.226  322.577   31.506 -46.51453 45.06789 
1 1 1   -1    5   33 o  378.426   47.997  331.127   42.526  324.198   45.061  387.557  128.590  397.753   29.031  359.099   91.499 38.65372 95.99445 
1 1 1   -1    5   34 o  283.912   23.017  168.572   25.473  159.714   35.999  177.454   36.048  275.920   33.433  291.904   31.646 -15.98419 46.03476 
1 1 1   -1    5   35 o  190.388   26.367   76.059   18.509   98.714   30.283   62.549   23.386  212.149   37.973  168.627   36.590 43.52219 52.73322 
1 1 1   -1    5   36 o  327.300   23.941  227.719   30.408  247.599   42.404  206.675   43.628  343.712   31.614  310.888   35.961 32.82373 47.88115 
1 1 1   -1    6    1 o  1072.17  108.970  2654.20  413.554  2723.16  510.938  2523.20  704.212  1128.97  115.972  1015.37  184.521 113.6052 217.9395 
1 1 1   -1    6    2 o  458.481   68.368  451.739  118.471  455.654  167.802  447.848  167.286  460.596   96.448  456.365   96.925 4.231781 136.7361 
1 1 1   -1    6    3 o  757.048   91.027  1263.62  262.504  1404.39  383.002  1138.92  360.493  804.841  121.944  709.256  135.180 95.58435 182.0548 
1 1 1   -1    6    4 o  401.431   64.010  346.021   97.923  370.404  139.990  322.659  137.025  416.028   88.923  386.833   92.096 29.19452 128.0193 
1 1 1   -1    6    5 o  828.501  100.776  1577.77  319.382  1612.85  454.718  1543.60  448.691  844.487  137.980  812.514  146.917 31.97308 201.5517 
1 1 1   -1    6    6 o  885.081  113.513  1910.82  377.627  1921.71  535.009  1900.00  533.088  887.888  160.307  882.274  160.756 5.614136 227.0263 
1 1 1   -1    6    7 o  216.541   47.470   95.949   44.303  101.415   62.931   90.577   62.381  221.555   67.049  211.527   67.217 10.02805 94.94064 
1 1 1   -1    6    8 o  656.523   64.008  895.419   94.785  886.870  100.054  970.238  295.997  668.410   38.358  644.636  122.134 23.77429 128.0163 
1 1 1   -1    6    9 o  384.749   48.286  301.861   46.561  298.214   49.692  328.097  133.278  387.963   32.822  381.534   90.823 6.428955 96.57194 
1 1 1   -1    6   10 o  325.928   85.160  240.672  109.511   0.0000   0.0000  240.672  109.511  ?   ?   325.928   85.160      ?      ? 
1 1 1   -1    6   11 o  500.978   24.841  497.004   48.292  535.444   73.135  467.285   64.305  517.682   36.202  484.273   34.027 33.40909 49.68290 
1 1 1   -1    6   12 o  494.283   21.729  495.021   40.454  531.117   52.093  440.178   64.210  518.687   25.736  469.879   35.018 48.80841 43.45782 
1 1 1   -1    6   13 o  573.199   22.744  665.838   49.336  725.032   64.332  581.310   76.876  606.111   27.198  540.287   36.461 65.82404 45.48833 
1 1 1   -1    6   14 o  379.073   20.770  291.357   29.232  312.400   36.938  256.092   47.819  398.638   23.744  359.509   34.084 39.12918 41.53965 
1 1 1   -1    6   15 o  830.135   26.794  1374.38   83.739  1394.75  105.872  1340.33  136.855  840.297   32.286  819.974   42.769 20.32349 53.58707 
1 1 1   -1    6   16 o  1098.37   32.149  2427.90  133.959  2505.77  172.212  2308.60  213.167  1123.91   39.264  1072.82   50.917 51.09619 64.29790 
1 1 1   -1    6   17 o  300.387   21.565  176.398   23.018  174.537   27.325  180.945   42.714  298.251   23.478  302.523   36.181 -4.272247 43.13099 
1 1 1   -1    6   18 o  612.276   24.056  714.848   53.616  809.530   97.388  673.669   64.226  639.271   39.038  585.281   28.120 53.99072 48.11145 
1 1 1   -1    6   19 o  1147.45   34.102  2672.35  148.189  2831.12  191.629  2436.16  233.729  1194.20   41.120  1100.71   54.414 93.48682 68.20337 
1 1 1   -1    6   20 o  540.417   26.584  613.942   50.510  672.789   61.430  491.119   88.747  584.866   26.915  495.968   45.853 88.89825 53.16883 
1 1 1   -1    6   21 o  431.622   18.809  368.366   31.518  399.925   43.831  334.576   45.354  451.082   24.899  412.162   28.198 38.91943 37.61783 
1 1 1   -1    6   22 o  576.795   20.143  655.883   45.231  658.223   61.924  653.206   66.224  578.104   27.449  575.485   29.488 2.619629 40.28654 
1 1 1   -1    6   23 o  559.029   23.196  591.143   47.186  547.230   56.339  694.321   86.359  526.978   27.396  591.080   37.440 -64.10217 46.39238 
1 1 1   -1    6   24 o  842.278   24.034  1390.27   78.101  1298.74  101.763  1521.45  121.826  809.688   32.206  874.869   35.683 -65.18085 48.06826 
1 1 1   -1    6   25 o  338.731   26.524  235.312   33.270  208.689   54.786  250.867   41.876  321.718   43.638  355.744   30.165 -34.02591 53.04865 
1 1 1   -1    6   26 o  291.372   20.657  171.233   23.112  190.561   31.308  148.086   34.261  310.285   25.856  272.460   32.223 37.82562 41.31425 
1 1 1   -1    6   27 o  470.547   21.029  437.129   37.894  417.106   48.627  468.087   60.466  457.864   27.215  483.230   32.064 -25.36636 42.05703 
1 1 1   -1    6   28 o  286.699   20.895  165.572   23.236  172.085   31.594  157.899   34.294  293.370   27.597  280.029   31.382 13.34100 41.79050 
1 1 1   -1    6   29 o  379.919   21.323  294.972   31.140  321.885   41.976  262.028   46.441  400.750   26.841  359.088   33.141 41.66144 42.64676 
1 1 1   -1    6   30 o  276.134   25.619  158.794   27.049  144.063   41.331  169.830   35.774  263.136   40.250  289.133   31.706 -25.99734 51.23767 
1 1 1   -1    6   31 o  488.961   22.589  488.638   42.562  493.857   56.186  481.610   65.198  493.810   29.156  484.112   34.511 9.698059 45.17846 
1 1 1   -1    6   32 o  155.449   47.255   36.625   24.508   38.550   24.787 -47.4668  163.843  134.056   42.346  176.843   84.492 -42.78688 94.50952 
1 1 1   -1    6   33 o  387.483   21.841  304.666   32.701  270.060   42.757  353.436   50.757  361.881   30.276  413.086   31.487 -51.20474 43.68151 
1 1 1   -1    6   34 o  123.330   28.324   30.876   14.428   38.389   27.305   27.966   16.993  132.499   44.615  114.160   34.906 18.33871 56.64703 
1 1 1   -1    6   35 o   84.791   24.189   9.0706   12.200 -14.2771   26.137   15.575   13.795   79.472   36.577   90.110   31.663 -10.63861 48.37733 
1 1 1   -1    6   36 o  316.582   41.644  356.530   47.507  433.328   53.624   76.384  102.419  455.817   30.147  177.346   77.641 278.4703 83.28844 
1 1 1   -1    7    1 o  493.077   59.718  507.801  105.216  505.374  128.783  512.673  182.469  500.129   65.985  486.025   99.554 14.10464 119.4359 
1 1 1   -1    7    2 o  379.460   53.604  306.574   73.718  321.905   90.998  277.303  125.735  400.556   58.215  358.365   90.025 42.19086 107.2081 
1 1 1   -1    7    3 o  876.260  107.017  1804.43  357.984  1936.88  517.847  1683.20  495.428  916.244  144.830  836.276  157.590 79.96796 214.0336 
1 1 1   -1    7    4 f  494.555   71.514  535.963  133.343  586.901  192.148  488.645  185.195  519.077   98.460  470.034  103.743 49.04349 143.0278 
1 1 1   -1    7    5 f  454.786   68.519  453.468  117.921  500.564  169.944  409.737  163.759  479.319   94.214  430.252   99.514 49.06775 137.0379 
1 1 1   -1    7    6 o  209.186   46.597   89.127   42.502   93.207   60.280   85.093   59.935  212.987   65.846  205.386   65.952 7.600998 93.19481 
1 1 1   -1    7    7 o  361.292   62.417  289.644   87.251  293.135  123.630  286.179  123.155  363.567   88.069  359.018   88.474 4.548920 124.8346 
1 1 1   -1    7    8 o  469.062  102.816  509.897  183.010   0.0000   0.0000  509.897  183.010  ?   ?   469.062  102.816      ?      ? 
1 1 1   -1    7    9 o  183.393   30.959   78.445   21.329   92.715   24.971   39.942   41.018  216.380   29.572  150.406   54.400 65.97478 61.91816 
1 1 1   -1    7   10 o  433.537   51.038  391.612   54.411  386.844   58.031  426.301  156.516  440.701   33.743  426.373   96.337 14.32788 102.0758 
1 1 1   -1    7   11 o  363.297   46.614  323.840   45.278  344.151   49.536  220.700  111.628  416.531   30.475  310.061   88.107 106.4699 93.22886 
1 1 1   -1    7   12 o  333.599   46.014  259.019   41.327  269.336   44.819  200.458  106.783  368.693   31.151  298.505   86.597 70.18848 92.02898 
1 1 1   -1    7   13 o  785.667   76.591  1465.16  106.922  1478.36  110.959  1293.67  400.026  864.066   32.907  707.267  149.607 156.7997 153.1828 
1 1 1   -1    7   14 o  398.659   20.917  321.888   30.989  345.190   39.198  283.048   50.606  419.145   23.964  378.173   34.291 40.97220 41.83466 
1 1 1   -1    7   15 o  1228.08   35.218  3053.71  164.312  3169.13  212.159  2880.71  259.738  1261.50   43.097  1194.66   55.714 66.84509 70.43663 
1 1 1   -1    7   16 o  847.426   31.913  1428.32  105.296  1463.53  154.957  1398.11  143.520  856.635   46.354  838.217   43.876 18.41766 63.82593 
1 1 1   -1    7   17 o  745.628   29.939  1101.14   86.926  1149.25  128.122  1060.09  118.326  760.418   43.176  730.838   41.488 29.58032 59.87832 
1 1 1   -1    7   18 o  761.187   26.216  1131.83   73.064  1105.32   88.627  1188.07  129.084  749.178   30.315  773.196   42.781 -24.01807 52.43272 
1 1 1   -1    7   19 o  238.145   24.570  111.373   22.834  111.373   22.834   0.0000   0.0000  238.145   24.570  ?   ?       ?      ? 
1 1 1   -1    7   20 o  596.164   25.060  723.839   54.415  766.110   67.166  643.104   92.824  623.895   27.587  568.434   41.846 55.46051 50.12082 
1 1 1   -1    7   21 o  196.655   33.216   82.578   19.106   84.915   20.558   67.764   51.757  207.804   25.351  185.506   61.404 22.29776 66.43150 
1 1 1   -1    7   22 o  527.760   59.889  608.701   57.356  610.277   59.353  586.471  222.976  556.617   27.324  498.903  116.620 57.71469 119.7779 
1 1 1   -1    7   23 o  353.801   25.992  246.515   35.887  246.515   35.887   0.0000   0.0000  353.801   25.992  ?   ?       ?      ? 
1 1 1   -1    7   24 o  199.520   30.700   83.191   21.197   76.837   41.277   85.467   24.704  191.262   53.308  207.778   30.467 -16.51576 61.40052 
1 1 1   -1    7   25 o  780.343   34.906  1215.73  106.297   0.0000   0.0000  1215.73  106.297  ?   ?   780.343   34.906      ?      ? 
1 1 1   -1    7   26 o  191.478   22.647   74.271   16.571   76.972   23.446   71.575   23.423  196.474   30.579  186.482   33.414 9.991974 45.29470 
1 1 1   -1    7   27 o  218.246   22.016   95.669   18.693  104.475   26.516   86.969   26.358  228.506   29.736  207.987   32.474 20.51904 44.03154 
1 1 1   -1    7   28 o  382.529   20.831  297.008   30.750  334.186   42.548  256.353   44.493  408.850   26.667  356.208   32.008 52.64230 41.66118 
1 1 1   -1    7   29 o  116.530   24.739   28.540   13.470   7.6043   21.599   41.864   17.231   92.018   37.707  141.042   32.036 -49.02450 49.47850 
1 1 1   -1    7   30 o  198.454   26.718   82.096   19.468   90.897   31.740   76.789   24.648  205.687   40.982  191.221   34.291 14.46562 53.43586 
1 1 1   -1    7   31 o  552.278   36.893  632.885   79.513   0.0000   0.0000  632.885   79.513  ?   ?   552.278   36.893      ?      ? 
1 1 1   -1    7   32 o  424.613  101.573  561.376  166.046   0.0000   0.0000  561.376  166.046  ?   ?   424.613  101.573      ?      ? 
1 1 1   -1    7   33 o  194.196   25.577   78.157   18.747  100.801   29.661   63.095   24.192  218.929   34.718  169.463   37.567 49.46625 51.15315 
1 1 1   -1    7   34 o  409.275   29.200  359.440   45.186  390.370   74.586  341.505   56.795  418.087   45.715  400.463   36.343 17.62354 58.40070 
1 1 1   -1    7   35 o  218.378   29.151  109.276   23.867   62.131   33.567  157.484   33.943  162.378   48.930  274.378   31.701 -112.0000 58.30145 
1 1 1   -1    7   36 o  363.283   23.793  278.927   33.632  252.228   45.971  309.673   49.332  344.152   34.229  382.414   33.057 -38.26157 47.58591 
1 1 1   -1    8    1 o  191.860   35.511   76.171   26.972   68.053   37.813   84.580   38.483  181.853   51.142  201.868   49.280 -20.01530 71.02192 
1 1 1   -1    8    2 o  297.720   48.969  190.987   53.886  199.970   66.461  173.750   92.064  310.602   56.929  284.838   79.693 25.76443 97.93814 
1 1 1   -1    8    3 o  456.560   69.660  462.339  120.473  469.688  170.874  455.075  169.878  460.477   98.094  452.643   98.934 7.833954 139.3209 
1 1 1   -1    8    4 o  274.821   76.692  162.168   85.376   0.0000   0.0000  162.168   85.376  ?   ?   274.821   76.692      ?      ? 
1 1 1   -1    8    5 o  503.908  105.709  579.956  201.238   0.0000   0.0000  579.956  201.238  ?   ?   503.908  105.709      ?      ? 
1 1 1   -1    8    6 o  744.386  148.779  1437.59  417.075   0.0000   0.0000  1437.59  417.075  ?   ?   744.386  148.779      ?      ? 
1 1 1   -1    8    7 o  316.682   83.584  225.329  104.806   0.0000   0.0000  225.329  104.806  ?   ?   316.682   83.584      ?      ? 
1 1 1   -1    8    8 o  251.097   52.417  138.318   54.934  133.189   77.511  143.495   77.866  246.798   74.350  255.395   73.906 -8.597000 104.8334 
1 1 1   -1    8    9 o  159.281   39.584   47.639   30.493   47.720   43.323   47.560   42.928  159.485   56.105  159.077   55.856 0.4080353 79.16834 
1 1 1   -1    8   10 o  567.353   59.837  679.868   78.459  671.043   83.085  752.572  238.471  579.557   36.736  555.150  113.896 24.40649 119.6735 
1 1 1   -1    8   11 o  437.473   51.044  402.212   55.550  399.875   59.425  418.397  156.389  448.631   33.943  426.315   96.279 22.31604 102.0873 
1 1 1   -1    8   12 o  226.300   39.621   98.420   28.131   95.034   30.736  115.889   69.817  218.752   36.005  233.848   70.589 -15.09608 79.24133 
1 1 1   -1    8   13 o  634.078   37.738  798.254   93.379  798.254   93.379   0.0000   0.0000  634.078   37.738  ?   ?       ?      ? 
1 1 1   -1    8   14 o  938.735   86.105  1997.31  138.179  1998.62  142.713  1977.68  552.550  1004.61   36.403  872.857  168.318 131.7565 172.2095 
1 1 1   -1    8   15 o  987.661   91.286  2178.94  201.602  2167.50  213.382  2274.14  615.283  1039.01   52.627  936.309  174.822 102.7045 182.5717 
1 1 1   -1    8   16 o  628.688  120.190  900.951  284.125   0.0000   0.0000  900.951  284.125  ?   ?   628.688  120.190      ?      ? 
1 1 1   -1    8   17 o  474.890   24.186  427.851   39.327  410.149   45.315  481.859   79.153  457.002   25.410  492.777   41.161 -35.77502 48.37201 
1 1 1   -1    8   18 o  646.255   26.493  846.760   61.714  882.540   75.142  772.606  108.177  669.655   28.754  622.855   44.506 46.80035 52.98643 
1 1 1   -1    8   19 o  262.456   39.562  192.554   26.512  207.701   28.017   62.834   81.989  325.380   22.065  199.531   75.985 125.8496 79.12392 
1 1 1   -1    8   20 o  697.622   26.488  941.562   65.608  909.334   77.446  1023.48  123.471  679.239   29.218  716.004   44.189 -36.76489 52.97523 
1 1 1   -1    8   21 o  167.030   35.524   62.908   19.723   69.088   20.437 -20.9258   75.270  187.258   27.967  146.802   65.311 40.45628 71.04741 
1 1 1   -1    8   22 f  727.909   28.561  1040.43   72.408  1021.59   84.740  1091.39  139.380  719.269   30.190  736.550   48.492 -17.28125 57.12169 
1 1 1   -1    8   23 o  658.721   33.454  875.955   84.808  884.522  111.506  864.198  130.622  664.362   43.009  653.080   51.253 11.28137 66.90778 
1 1 1   -1    8   24 o  688.085   54.399  970.843  146.071   0.0000   0.0000  970.843  146.071  ?   ?   688.085   54.399      ?      ? 
1 1 1   -1    8   25 o  339.288   44.589  268.527   36.517  275.565   38.939  217.175  105.182  373.010   26.750  305.566   85.072 67.44342 89.17867 
1 1 1   -1    8   26 o  229.524   43.348  125.697   27.244  130.374   28.315   67.305  100.041  255.856   28.359  203.193   81.926 52.66255 86.69568 
1 1 1   -1    8   27 o  640.357   74.291  938.621  185.649   0.0000   0.0000  938.621  185.649  ?   ?   640.357   74.291      ?      ? 
1 1 1   -1    8   28 f  161.787   40.567   55.490   22.225   60.442   22.641 -75.4737  116.441  169.287   35.411  154.287   72.998 14.99988 81.13368 
1 1 1   -1    8   29 o  465.548   52.831  554.322   71.729  586.537   81.398  442.371  151.739  532.004   39.207  399.092   98.119 132.9120 105.6623 
1 1 1   -1    8   30 o  164.328   40.144   63.659   26.451   72.933   27.035 -143.8452  127.881  184.406   38.797  144.251   70.292 40.15562 80.28857 
1 1 1   -1    8   31 o  124.595   41.582   10.270   21.760   14.120   22.004 -160.4990  146.550   99.381   38.957  149.810   73.476 -50.42852 83.16434 
1 1 1   -1    8   32 o  294.148   43.492  308.601   43.468  343.321   46.110   31.351  130.298  409.503   28.854  178.792   82.058 230.7110 86.98322 
1 1 1   -1    8   33 o  266.304   23.130  147.782   23.976  155.118   35.465  141.607   32.537  271.984   33.414  260.625   31.991 11.35925 46.25949 
1 1 1   -1    8   34 f  401.072   23.566  332.494   36.324  307.017   46.802  371.089   57.605  383.822   31.246  418.322   35.287 -34.49930 47.13293 
1 1 1   -1    8   35 o  399.480   22.718  335.328   35.340  358.819   49.983  311.845   49.974  414.543   30.897  384.417   33.312 30.12637 45.43519 
1 1 1   -1    9    1 o  253.154   39.215  134.745   37.687  144.037   53.403  125.525   53.193  262.366   53.960  243.942   56.918 18.42407 78.43050 
1 1 1   -1    9    2 o  138.602   32.970   36.504   20.554   38.538   25.381   32.626   35.035  138.710   42.700  138.494   50.248 0.2156982 65.94051 
1 1 1   -1    9    3 o  429.809   58.147  422.541   89.880  475.421  112.637  329.848  149.129  481.412   59.956  378.205   99.647 103.2068 116.2939 
1 1 1   -1    9    4 o  287.932   56.123  183.263   65.092  184.017   92.074  182.509   92.034  288.517   79.316  287.348   79.424 1.169495 112.2464 
1 1 1   -1    9    5 o  321.298   58.723  231.640   74.443  261.603  106.938  203.466  103.695  342.054   81.308  300.543   84.751 41.51083 117.4467 
1 1 1   -1    9    6 f  522.657   79.117  662.651  156.532  723.895  225.888  606.073  217.113  549.018  109.275  496.296  114.441 52.72238 158.2332 
1 1 1   -1    9    7 o  469.285   74.396  529.414  132.894  550.528  189.423  508.948  186.494  479.675  104.177  458.895  106.237 20.77963 148.7923 
1 1 1   -1    9    8 o  184.658   43.473   68.753   36.742   75.341   52.246   62.307   51.681  191.018   61.601  178.298   61.360 12.72067 86.94665 
1 1 1   -1    9    9 o  221.261   48.567  103.984   46.433   94.106   65.369  114.044   65.969  212.346   68.946  230.177   68.422 -17.83157 97.13461 
1 1 1   -1    9   10 o  520.814   78.015  641.202  153.628  653.847  218.284  628.790  216.256  526.487  109.798  515.141  110.860 11.34662 156.0306 
1 1 1   -1    9   11 f  639.816   64.240  876.866   94.308  872.750   99.946  910.286  284.808  662.158   38.679  617.473  122.520 44.68524 128.4806 
1 1 1   -1    9   12 o  461.471   52.397  448.503   60.284  448.333   64.592  449.649  167.892  475.838   34.784  447.104   98.852 28.73459 104.7937 
1 1 1   -1    9   13 o  656.824  126.166  1010.37  311.635  1010.37  311.635   0.0000   0.0000  656.824  126.166  ?   ?       ?      ? 
1 1 1   -1    9   14 f  320.610   59.328  223.218   75.306  201.676  106.751  244.557  106.248  305.063   85.978  336.158   81.775 -31.09521 118.6565 
1 1 1   -1    9   15 o  725.553   71.822  1177.01  117.185  1188.27  124.303  1087.10  351.339  773.804   41.164  677.302  137.620 96.50208 143.6447 
1 1 1   -1    9   17 o  441.734   25.484  383.285   43.930  383.285   43.930   0.0000   0.0000  441.734   25.484  ?   ?       ?      ? 
1 1 1   -1    9   18 o  341.664   43.492  340.402   35.242  373.529   37.826  122.402   97.034  436.354   22.213  246.973   84.099 189.3809 86.98350 
1 1 1   -1    9   19 o  398.431   35.794  215.094   30.430  199.041   31.372  470.427  125.114  318.207   25.264  478.654   66.981 -160.4469 71.58711 
1 1 1   -1    9   20 o  148.176   34.575   38.780   15.060   39.404   15.613   30.432   57.076  138.765   29.727  157.587   62.434 -18.82187 69.15036 
1 1 1   -1    9   21 o  494.132   28.760  475.318   45.458  467.059   51.107  506.600   99.464  486.993   26.892  501.270   50.847 -14.27722 57.52027 
1 1 1   -1    9   22 o  370.110   38.236  294.196   49.286  319.607   60.817  245.582   84.120  400.509   38.912  339.712   65.831 60.79727 76.47125 
1 1 1   -1    9   23 o  850.384   55.561  1480.53  184.382   0.0000   0.0000  1480.53  184.382  ?   ?   850.384   55.561      ?      ? 
1 1 1   -1    9   24 o  535.943   34.401  551.646   51.913  536.793   56.201  637.992  135.507  520.696   27.658  551.190   62.998 -30.49365 68.80213 
1 1 1   -1    9   25 o  214.371   43.255  100.189   25.182  102.819   26.041   62.268   98.888  227.268   29.362  201.474   81.376 25.79410 86.51074 
1 1 1   -1    9   26 o  464.283   37.560  408.333   45.181  393.270   48.087  521.797  131.979  444.085   27.748  484.480   69.807 -40.39481 75.11923 
1 1 1   -1    9   27 o  254.980   46.855  158.766   32.289  162.737   33.661  113.018  114.247  284.353   30.335  225.606   88.665 58.74715 93.71038 
1 1 1   -1    9   28 o  238.724   49.688  110.566   31.725  106.392   32.924  164.786  118.665  227.519   37.082  249.930   92.199 -22.41089 99.37663 
1 1 1   -1    9   29 o  298.949   48.768  221.585   36.730  224.408   38.625  194.906  118.735  333.086   29.715  264.812   92.898 68.27371 97.53516 
1 1 1   -1    9   30 o  319.634   50.280  258.620   40.174  261.472   42.380  233.346  126.160  358.644   30.281  280.625   95.893 78.01923 100.5601 
1 1 1   -1    9   31 o  303.312   47.123  302.412   43.097  325.952   45.539  100.367  133.414  399.753   29.191  206.871   89.612 192.8814 94.24683 
1 1 1   -1    9   32 o  388.036   44.729  423.024   48.600  468.816   55.154  263.981  102.788  477.180   29.619  298.892   84.412 178.2875 89.45772 
1 1 1   -1    9   33 o  283.305   50.039  246.499   39.800  251.800   41.199  172.355  154.070  348.426   30.300  218.185   95.381 130.2410 100.0780 
1 1 1   -1    9   34 o  203.672   43.985   96.661   29.877   93.204   31.891  121.469   85.438  203.766   41.514  203.578   77.557 0.1885681 87.96918 
1 1 1   -1    9   35 o  192.612   43.518  100.919   33.154  106.201   35.058   56.220  101.984  215.960   43.109  169.265   75.611 46.69449 87.03697 
1 1 1   -1   10    1 o  436.580   44.923  397.662   76.535  398.294  108.062  397.026  108.413  437.001   63.366  436.159   63.695 0.8426514 89.84627 
1 1 1   -1   10    2 f  164.103   36.883   55.268   26.193   60.823   32.321   44.640   44.706  170.578   47.034  157.628   56.826 12.95061 73.76609 
1 1 1   -1   10    3 o  617.201   72.767  887.195  159.386  887.313  195.575  886.963  275.035  640.310   78.269  594.092  122.695 46.21838 145.5337 
1 1 1   -1   10    4 o  203.661   41.606   89.286   34.315   95.257   42.529   78.148   58.088  211.802   51.868  195.521   65.067 16.28172 83.21120 
1 1 1   -1   10    5 o  108.549   29.544   16.326   17.662   17.635   24.934   15.007   25.022  110.021   41.902  107.078   41.661 2.943222 59.08861 
1 1 1   -1   10    6 o  499.900   77.280  605.709  146.582  647.639  210.352  566.128  204.374  518.965  107.406  480.835  111.144 38.13046 154.5608 
1 1 1   -1   10    7 o  237.843   50.548  122.301   50.826  134.174   72.397  110.761   71.372  247.956   71.122  227.729   71.848 20.22701 101.0965 
1 1 1   -1   10    8 o  173.536   41.510   58.569   33.544   66.708   47.735   50.629   47.146  181.637   58.914  165.435   58.493 16.20164 83.01966 
1 1 1   -1   10    9 o  381.822   64.606  328.716   95.005  341.523  135.183  316.216  133.547  389.683   90.610  373.961   92.116 15.72214 129.2111 
1 1 1   -1   10   10 o  588.197   83.287  812.200  184.505  821.180  261.698  803.324  260.169  591.794  117.462  584.601  118.107 7.193115 166.5732 
1 1 1   -1   10   11 o  328.233   59.589  236.186   76.719  235.372  108.682  236.994  108.313  327.620   84.466  328.847   84.076 -1.227173 119.1781 
1 1 1   -1   10   12 o  363.289   62.473  289.735   87.732  280.048  123.843  299.494  124.303  356.841   89.181  369.738   87.510 -12.89697 124.9454 
1 1 1   -1   10   13 o  544.570   35.727  586.347   75.924  586.347   75.924   0.0000   0.0000  544.570   35.727  ?   ?       ?      ? 
1 1 1   -1   10   14 o  987.812   47.821  1947.75  184.344  1947.75  184.344   0.0000   0.0000  987.812   47.821  ?   ?       ?      ? 
1 1 1   -1   10   15 o  249.270   33.577  122.605   32.662  122.605   32.662   0.0000   0.0000  249.270   33.577  ?   ?       ?      ? 
1 1 1   -1   10   16 o  727.718   68.336  1102.99  119.987  1091.63  127.851  1186.91  347.466  740.571   44.239  714.865  129.314 25.70679 136.6719 
1 1 1   -1   10   17 f  762.100   73.152  1401.76  105.681  1429.61  110.475  1101.70  362.678  850.861   33.272  673.339  142.470 177.5220 146.3034 
1 1 1   -1   10   18 o  258.727   37.798  197.142   26.749  218.533   28.567   44.954   76.196  333.738   21.934  183.716   72.343 150.0221 75.59514 
1 1 1   -1   10   19 o  935.350   34.934  1732.40  127.511  1732.40  127.511   0.0000   0.0000  935.350   34.934  ?   ?       ?      ? 
1 1 1   -1   10   20 o  451.609   41.931  323.879   39.820  308.956   41.160  542.007  157.360  396.142   26.625  507.077   79.522 -110.9353 83.86127 
1 1 1   -1   10   21 o  570.527   62.747  745.753   94.125  763.786  102.707  651.183  235.202  618.096   42.581  522.958  118.049 95.13885 125.4935 
1 1 1   -1   10   22 o  701.393   73.795  1207.72  132.515  1252.95  144.869  975.928  327.938  788.173   47.100  614.613  139.873 173.5602 147.5904 
1 1 1   -1   10   23 o  870.779   88.364  1736.74  124.391  1722.16  127.934  1989.07  532.230  929.147   35.283  812.411  173.170 116.7354 176.7279 
1 1 1   -1   10   24 o  449.733   60.759  485.182   51.705  489.132   53.557  431.035  198.298  496.581   27.637  402.886  118.333 93.69434 121.5178 
1 1 1   -1   10   25 o  257.493   46.341  137.737   27.310  136.981   28.233  148.738  107.700  262.338   27.578  252.648   88.485 9.690735 92.68289 
1 1 1   -1   10   26 o  969.663   66.461  2092.83  251.490   0.0000   0.0000  2092.83  251.490  ?   ?   969.663   66.461      ?      ? 
1 1 1   -1   10   27 o  401.105   50.029  367.316   54.254  364.539   59.041  382.390  137.535  422.337   35.823  379.873   93.426 42.46390 100.0583 
1 1 1   -1   10   28 o  196.250   42.255   94.398   26.881  100.438   27.584 -19.6431  119.851  222.387   31.784  170.113   78.305 52.27373 84.51022 
1 1 1   -1   10   29 o  153.283   39.089   49.120   22.741   54.142   23.490 -25.8951   90.790  158.637   38.365  147.930   68.116 10.70673 78.17721 
1 1 1   -1   10   30 o  249.275   44.900  144.871   31.220  144.593   32.948  147.314   97.688  265.738   31.772  232.812   83.991 32.92685 89.79925 
1 1 1   -1   10   31 o  422.067   45.969  520.863   54.476  608.915   63.149  264.721  107.705  544.800   29.703  299.333   87.008 245.4666 91.93817 
1 1 1   -1   10   32 o  308.844   53.943  288.705   43.509  291.536   44.967  247.165  172.260  374.993   30.728  242.695  103.418 132.2987 107.8864 
1 1 1   -1   10   33 o  227.807   47.868  113.135   30.917  107.510   32.184  180.350  111.257  224.426   36.748  231.188   88.401 -6.762817 95.73513 
1 1 1   -1   10   34 o  137.040   39.290   36.318   25.842   42.138   26.910 -32.6455   92.637  136.917   44.216  137.162   64.959 -0.2447815 78.57908 
1 1 1   -1   10   35 o  195.365   49.160  114.834   57.727  164.262   67.859 -14.6242  109.821  242.364   68.635  148.367   70.399 93.99664 98.31952 
1 1 1   -1   11    1 o  359.579   43.178  272.362   59.355  261.986   83.111  283.163   84.795  349.631   63.242  369.528   58.802 -19.89777 86.35526 
1 1 1   -1   11    2 o  105.723   27.410   18.512   14.679   22.429   18.261   11.360   24.675  108.925   36.486  102.522   40.914 6.403015 54.81974 
1 1 1   -1   11    3 o  299.525   49.940  195.732   55.103  194.091   67.557  198.995   95.242  301.600   59.513  297.450   80.215 4.149658 99.88094 
1 1 1   -1   11    4 o  193.675   40.949   79.465   32.794   84.723   40.764   69.819   55.213  200.123   51.796  187.228   63.440 12.89484 81.89892 
1 1 1   -1   11    5 o  345.971   52.630  263.009   67.059  272.633   82.802  244.665  114.317  363.836   58.318  328.107   87.628 35.72943 105.2597 
1 1 1   -1   11    6 o  199.360   45.711   81.263   40.643   81.221   57.451   81.304   57.503  199.313   64.630  199.407   64.660 -0.9403992E-01 91.42194 
1 1 1   -1   11    7 o  389.974   65.072  342.732   97.486  365.332  139.275  321.025  136.498  403.517   90.658  376.431   93.372 27.08527 130.1437 
1 1 1   -1   11    8 o  512.449   75.755  603.754  146.617  628.066  209.112  580.246  205.626  523.699  105.959  501.199  108.294 22.50009 151.5094 
1 1 1   -1   11    9 o  132.178   34.474   28.197   23.478   26.655   33.204   29.740   33.201  130.515   48.646  133.842   48.861 -3.326797 68.94800 
1 1 1   -1   11   10 o  379.109   63.611  316.841   92.725  332.668  132.180  301.506  130.110  388.948   89.010  369.270   90.900 19.67838 127.2222 
1 1 1   -1   11   11 o  319.808   83.148  222.126  104.736  222.126  104.736   0.0000   0.0000  319.808   83.148  ?   ?       ?      ? 
1 1 1   -1   11   12 o  159.289   56.830   44.596   44.600   44.596   44.600   0.0000   0.0000  159.289   56.830  ?   ?       ?      ? 
1 1 1   -1   11   13 o  179.016   43.343   66.198   29.956   66.198   29.956   0.0000   0.0000  179.016   43.343  ?   ?       ?      ? 
1 1 1   -1   11   14 o  353.698   33.676  218.516   39.619  588.034   69.933   43.868   48.078  546.035   32.819  161.360   58.814 384.6746 67.35103 
1 1 1   -1   11   15 o  452.733   48.097  436.195   59.845  442.178   65.623  406.633  145.868  472.975   35.554  432.490   89.382 40.48438 96.19394 
1 1 1   -1   11   16 f  308.294   82.268  206.070  100.814   0.0000   0.0000  206.070  100.814  ?   ?   308.294   82.268      ?      ? 
1 1 1   -1   11   17 o  307.995   44.703  197.728   44.550  198.459   50.511  195.167   94.529  315.882   40.976  300.108   79.462 15.77463 89.40527 
1 1 1   -1   11   18 o  1213.74   42.058  2936.02  199.207  2936.02  199.207   0.0000   0.0000  1213.74   42.058  ?   ?       ?      ? 
1 1 1   -1   11   19 o  218.061   39.021  115.657   25.427  123.951   26.906   46.389   77.757  250.849   27.486  185.273   73.041 65.57588 78.04132 
1 1 1   -1   11   20 o  299.619   52.202  186.847   55.056  179.026   63.884  209.427  108.546  291.780   58.147  307.459   86.714 -15.67944 104.4046 
1 1 1   -1   11   21 o  318.276   47.932  249.947   35.365  258.822   37.112  162.322  116.617  362.371   26.244  274.181   92.202 88.19080 95.86424 
1 1 1   -1   11   22 o  681.633   30.472  920.990   81.056  920.990   81.056   0.0000   0.0000  681.633   30.472  ?   ?       ?      ? 
1 1 1   -1   11   23 o  240.549   44.262  154.046   30.609  164.099   31.710   16.692  117.210  287.645   28.249  193.453   83.897 94.19228 88.52494 
1 1 1   -1   11   24 o  278.556   50.943  163.719   31.384  163.088   32.309  174.277  132.128  286.148   28.934  270.964   97.692 15.18317 101.8867 
1 1 1   -1   11   25 o  248.324   52.399  108.552   29.573  104.987   30.285  181.684  137.160  228.035   34.032  268.612   99.117 -40.57755 104.7973 
1 1 1   -1   11   26 o  293.795   54.796  235.542   44.728  243.094   46.211  123.461  178.024  345.895   34.235  241.696  104.107 104.1993 109.5910 
1 1 1   -1   11   27 o  192.008   55.558   38.757   19.212   37.090   19.333  170.192  171.627  132.297   36.335  251.720  105.008 -119.4227 111.1166 
1 1 1   -1   11   28 o  283.292   53.560  233.984   39.058  240.239   39.730   53.716  213.286  344.657   29.539  221.926  102.967 122.7308 107.1203 
1 1 1   -1   11   29 o  340.694   30.812  236.389   40.966  236.389   40.966   0.0000   0.0000  340.694   30.812  ?   ?       ?      ? 
1 1 1   -1   11   30 o  298.497   54.850  276.656   44.271  282.213   45.161  139.887  224.047  370.736   31.215  226.258  105.165 144.4779 109.7003 
1 1 1   -1   11   31 o  254.387   48.391  194.522   36.745  200.178   37.651   81.195  168.529  311.007   31.022  197.767   91.676 113.2394 96.78300 
1 1 1   -1   11   32 o  271.474   44.089  225.592   38.450  242.638   41.421  119.363  103.400  341.506   31.080  201.441   82.518 140.0657 88.17709 
1 1 1   -1   11   33 o  191.666   36.887  110.788   29.979  126.305   31.385 -50.9264  101.320  245.287   32.788  138.046   66.087 107.2416 73.77353 
1 1 1   -1   11   34 o  147.933   47.961   9.1159   54.264  -6.4195   62.693   55.520  108.352  125.058   57.220  170.809   76.985 -45.75156 95.92135 
1 1 1   -1   12    1 o  502.504   47.581  525.212   93.136  483.660  129.128  570.266  134.461  481.110   68.777  523.899   65.768 -42.78860 95.16197 
1 1 1   -1   12    2 o  204.733   41.316   90.284   34.259   99.897   42.266   71.872   58.497  218.059   50.640  191.407   65.297 26.65221 82.63239 
1 1 1   -1   12    3 o  565.624   64.822  686.711  130.595  650.788  158.097  763.878  231.711  556.729   72.769  574.519  107.296 -17.78912 129.6447 
1 1 1   -1   12    4 o  362.875   51.648  279.843   68.133  278.831   83.723  281.826  117.237  369.545   58.056  356.206   85.438 13.33841 103.2966 
1 1 1   -1   12    5 o  481.343   60.400  520.023  103.925  564.961  130.158  440.984  172.617  524.202   63.627  438.484  102.685 85.71759 120.7995 
1 1 1   -1   12    6 o  371.350   62.664  305.314   89.719  339.424  128.899  273.258  124.956  392.617   86.467  350.084   90.723 42.53296 125.3284 
1 1 1   -1   12    7 o  844.237  163.801  1854.04  520.184  1854.04  520.184   0.0000   0.0000  844.237  163.801  ?   ?       ?      ? 
1 1 1   -1   12    8 o  610.904  119.132  862.970  273.807  862.970  273.807   0.0000   0.0000  610.904  119.132  ?   ?       ?      ? 
1 1 1   -1   12    9 o  255.272   74.112  138.078   78.186  138.078   78.186   0.0000   0.0000  255.272   74.112  ?   ?       ?      ? 
1 1 1   -1   12   10 o  362.857   61.520  286.422   86.157  319.414  123.954  255.585  119.839  383.891   84.986  341.824   88.975 42.06717 123.0409 
1 1 1   -1   12   11 o  131.258   34.859   25.864   24.296   20.597   35.135   30.691   33.635  126.882   49.367  135.633   49.230 -8.751015 69.71881 
1 1 1   -1   12   12 o  473.572   70.946  495.180  127.068  455.596  177.335  536.951  182.165  452.384  102.788  494.760   97.816 -42.37659 141.8916 
1 1 1   -1   12   13 o  192.429   45.840   71.501   40.762   67.350   59.816   75.101   55.698  189.935   65.975  194.923   63.659 -4.987778 91.68029 
1 1 1   -1   12   14 o  356.540   45.288  284.702   49.058  301.075   55.479  226.003  105.047  390.122   36.442  322.959   82.923 67.16342 90.57679 
1 1 1   -1   12   15 o  955.638   87.108  2046.25  186.956  2040.70  198.082  2091.55  565.814  1008.73   50.320  902.549  166.790 106.1774 174.2157 
1 1 1   -1   12   16 o  472.371   49.432  467.088   67.178  468.106   74.341  462.556  156.862  485.493   39.238  459.249   90.744 26.24347 98.86391 
1 1 1   -1   12   17 o  392.552   48.678  363.992   62.105  415.323   73.708  238.353  115.315  456.647   41.362  328.458   88.133 128.1888 97.35583 
1 1 1   -1   12   18 f  547.672   60.189  627.747   93.909  618.292  103.322  672.659  225.189  555.005   47.705  540.340  110.521 14.66467 120.3774 
1 1 1   -1   12   19 o  679.192   67.701  945.734  117.347  920.118  125.848  1116.36  324.797  676.551   47.666  681.832  126.733 -5.280762 135.4010 
1 1 1   -1   12   20 o  248.827   41.821  159.110   28.970  169.857   30.582   65.102   90.447  293.527   26.698  204.127   79.268 89.39915 83.64285 
1 1 1   -1   12   21 o  151.721   38.010   40.600   17.862   42.451   18.390   9.7195   75.107  143.366   33.478  160.076   68.252 -16.70984 76.02013 
1 1 1   -1   12   22 o  658.889   66.622  889.689   77.930  874.748   80.361  1125.53  319.267  663.227   31.049  654.551  129.577 8.676086 133.2447 
1 1 1   -1   12   23 o  319.895   51.662  237.538   35.724  239.594   37.019  209.684  136.232  347.342   27.311  292.448   99.648 54.89325 103.3233 
1 1 1   -1   12   24 o  495.791  138.776  778.754  279.110   0.0000   0.0000  778.754  279.110  ?   ?   495.791  138.776      ?      ? 
1 1 1   -1   12   25 o  251.043   51.933  141.951   30.278  143.103   30.851  111.806  157.781  266.878   29.623  235.208   99.551 31.66989 103.8652 
1 1 1   -1   12   26 o  488.964   69.595  514.483   55.704  501.093   56.964  807.311  266.384  498.653   29.273  479.276  136.078 19.37659 139.1906 
1 1 1   -1   12   27 o  498.200   49.342  532.622   95.930  532.622   95.930   0.0000   0.0000  498.200   49.342  ?   ?       ?      ? 
1 1 1   -1   12   28 o  316.386   30.147  203.173   37.222  203.173   37.222   0.0000   0.0000  316.386   30.147  ?   ?       ?      ? 
1 1 1   -1   12   29 o  173.149   49.754   51.394   22.676   52.750   22.812 -61.7017  208.348  155.993   37.857  190.305   92.026 -34.31212 99.50854 
1 1 1   -1   12   30 o  265.103   57.002  173.059   34.762  171.129   35.197  249.726  221.846  287.832   31.335  242.375  109.614 45.45721 114.0049 
1 1 1   -1   12   31 o  317.409   56.498  318.136   45.854  319.658   46.944  286.504  213.996  392.623   30.639  242.196  108.762 150.4273 112.9951 
1 1 1   -1   12   32 o  274.354   49.985  245.806   41.229  251.945   42.161  111.556  197.158  347.840   31.060  200.869   95.022 146.9707 99.96972 
1 1 1   -1   12   33 o  137.125   47.585 -50.3268   59.657 -55.4867   64.901 -22.2113  151.497  109.661   52.602  164.589   79.313 -54.92863 95.17099 
1 1 1   -1   12   34 o  350.054   32.941  259.700   44.999  259.700   44.999   0.0000   0.0000  350.054   32.941  ?   ?       ?      ? 
1 1 1   -1   13    1 o  188.335   51.641   73.779   39.089   73.779   39.089   0.0000   0.0000  188.335   51.641  ?   ?       ?      ? 
1 1 1   -1   13    2 o  493.843   66.364  501.448  127.895  501.448  127.895   0.0000   0.0000  493.843   66.364  ?   ?       ?      ? 
1 1 1   -1   13    3 o  648.002   76.957  877.482  194.606  877.482  194.606   0.0000   0.0000  648.002   76.957  ?   ?       ?      ? 
1 1 1   -1   13    4 o  194.155   40.065   78.902   31.666   84.755   39.213   67.929   53.687  201.607   50.069  186.704   62.561 14.90225 80.12953 
1 1 1   -1   13    5 o  484.684   59.211  505.748  102.833  515.948  127.080  486.400  175.022  502.373   64.822  466.996   99.106 35.37704 118.4225 
1 1 1   -1   13    6 o  153.506   34.537   46.993   23.881   58.739   30.890   29.542   37.651  168.763   45.754  138.250   51.748 30.51337 69.07465 
1 1 1   -1   13    7 o  725.726   91.785  1215.44  253.638  1377.25  372.224  1075.18  346.547  780.304  122.239  671.149  136.953 109.1548 183.5710 
1 1 1   -1   13    8 o  429.015   66.672  403.532  108.672  451.733  156.916  359.107  150.646  455.376   91.476  402.654   97.019 52.72214 133.3438 
1 1 1   -1   13    9 o  588.071   75.687  751.251  168.535  936.210  253.001  603.701  225.971  661.361   98.028  514.781  115.345 146.5801 151.3740 
1 1 1   -1   13   10 o  339.281   60.309  249.609   79.839  233.299  112.335  266.256  113.494  327.788   86.543  350.775   84.018 -22.98660 120.6184 
1 1 1   -1   13   11 o  250.831   52.496  132.145   55.107  123.090   78.494  140.946   77.384  243.468   75.116  258.195   73.355 -14.72729 104.9922 
1 1 1   -1   13   12 o  250.965   51.145  130.911   54.410   89.134   76.235  174.283   77.679  215.615   74.506  286.314   70.088 -70.69870 102.2910 
1 1 1   -1   13   13 o  528.010   76.363  627.095  152.039  593.664  213.395  661.562  216.675  512.046  110.068  543.975  105.880 -31.92877 152.7265 
1 1 1   -1   13   14 o  276.929   56.185  164.669   64.635  134.113   92.356  194.002   90.487  253.912   81.904  299.946   76.934 -46.03363 112.3702 
1 1 1   -1   13   15 o  429.740   51.273  436.088   73.649  519.025   90.347  271.810  127.154  509.619   45.429  349.861   91.933 159.7579 102.5452 
1 1 1   -1   13   16 o  357.142   50.366  285.396   66.555  341.689   85.962  201.152  105.160  411.315   53.555  302.970   85.317 108.3454 100.7328 
1 1 1   -1   13   17 o  227.861   74.603  106.444   76.476   0.0000   0.0000  106.444   76.476  ?   ?   227.861   74.603      ?      ? 
1 1 1   -1   13   18 o  832.588   79.195  1560.29  157.361  1556.61  168.222  1586.10  445.163  879.146   49.033  786.030  150.610 93.11658 158.3906 
1 1 1   -1   13   19 o  624.125   61.896  817.320  106.486  801.463  116.236  900.119  265.609  630.707   47.226  617.544  114.430 13.16351 123.7919 
1 1 1   -1   13   20 o  581.928   63.179  797.316  106.270  830.264  119.417  671.910  232.976  640.262   47.794  523.595  116.970 116.6674 126.3581 
1 1 1   -1   13   21 o  702.335   31.737  981.524   86.985  981.524   86.985   0.0000   0.0000  702.335   31.737  ?   ?       ?      ? 
1 1 1   -1   13   22 o  177.334   40.075   67.818   23.071   73.025   23.731 -21.9997   98.550  191.209   31.803  163.459   73.570 27.74937 80.14981 
1 1 1   -1   13   23 o  611.648   70.835  803.542   93.363  774.760   97.801  1099.23  313.476  616.076   40.680  607.219  135.705 8.857483 141.6707 
1 1 1   -1   13   25 o  301.766   54.842  243.306   38.842  247.332   39.842  166.075  174.498  350.506   29.128  253.026  105.746 97.47977 109.6841 
1 1 1   -1   13   26 o  289.907   30.182  170.040   34.146  170.040   34.146   0.0000   0.0000  289.907   30.182  ?   ?       ?      ? 
1 1 1   -1   13   27 f  306.292   29.786  190.057   35.602  190.057   35.602   0.0000   0.0000  306.292   29.786  ?   ?       ?      ? 
1 1 1   -1   13   28 o  409.935   29.443  341.601   47.101  341.601   47.101   0.0000   0.0000  409.935   29.443  ?   ?       ?      ? 
1 1 1   -1   13   29 o  245.220   54.360  150.505   33.608  151.029   33.963  125.865  232.865  270.379   32.189  220.062  103.846 50.31705 108.7201 
1 1 1   -1   13   30 o  256.766   53.264  186.468   35.402  187.512   35.772  136.740  246.812  301.085   30.446  212.447  102.085 88.63846 106.5285 
1 1 1   -1   13   31 o  276.237   51.726  253.574   42.303  258.052   42.826   73.554  271.513  352.041   31.173  200.433   98.643 151.6081 103.4511 
1 1 1   -1   13   32 o  203.909   58.311  127.813   69.495  140.315   73.352   18.210  217.189  221.739   73.086  186.079   90.879 35.65993 116.6216 
1 1 1   -1   13   33 o  182.112   43.725   89.923   30.888   96.003   31.412 -87.7964  169.827  206.811   40.371  157.412   77.575 49.39964 87.45094 
1 1 1   -1   14    1 f  673.207   55.804  943.547  146.589  925.696  205.907  961.892  208.739  666.627   79.151  679.787   78.686 -13.16010 111.6082 
1 1 1   -1   14    2 o  680.581   75.505  1028.80  182.187  1044.55  223.930  997.958  313.337  707.187   81.142  653.975  127.358 53.21155 151.0100 
1 1 1   -1   14    3 o  545.727   69.518  610.891  148.048  610.891  148.048   0.0000   0.0000  545.727   69.518  ?   ?       ?      ? 
1 1 1   -1   14    4 o  270.304   47.154  155.929   47.932  161.010   59.301  146.355   81.405  277.994   56.587  262.615   75.444 15.37939 94.30724 
1 1 1   -1   14    5 f  186.205   40.311   64.092   31.390   46.534   39.006   96.359   52.877  157.303   53.322  215.107   60.472 -57.80411 80.62293 
1 1 1   -1   14    6 o  216.296   44.878   96.139   39.609   94.135   50.439   99.362   63.973  212.625   58.810  219.967   67.804 -7.341827 89.75539 
1 1 1   -1   14    7 o  420.588   55.965  363.107   85.749  341.806  105.415  404.768  147.427  409.737   65.927  431.440   90.454 -21.70306 111.9304 
1 1 1   -1   14    8 o  912.070  120.340  2110.49  412.484  2185.48  590.193  2038.88  576.723  929.852  168.867  894.289  171.496 35.56384 240.6805 
1 1 1   -1   14    9 o  371.155   54.771  282.142   78.783  174.676  104.332  424.716  120.172  286.087   86.276  456.223   67.499 -170.1356 109.5429 
1 1 1   -1   14   10 o  633.619   81.996  896.237  197.887  784.369  271.057  1023.91  289.570  582.829  123.038  684.409  108.419 -101.5808 163.9911 
1 1 1   -1   14   11 o  276.531   51.068  159.261   58.230   94.339   79.852  232.993   85.098  220.916   76.257  332.147   67.944 -111.2313 102.1353 
1 1 1   -1   14   13 f  405.990   94.075  366.093  146.130   0.0000   0.0000  366.093  146.130  ?   ?   405.990   94.075      ?      ? 
1 1 1   -1   14   14 o  567.068  114.613  742.234  244.907   0.0000   0.0000  742.234  244.907  ?   ?   567.068  114.613      ?      ? 
1 1 1   -1   14   15 o  386.509   94.318  334.810  141.006   0.0000   0.0000  334.810  141.006  ?   ?   386.509   94.318      ?      ? 
1 1 1   -1   14   16 o  167.291   44.459   44.181   39.928   25.647   60.325   58.630   53.264  157.087   63.519  177.494   62.223 -20.40672 88.91829 
1 1 1   -1   14   17 o  223.198   73.863  101.865   74.893   0.0000   0.0000  101.865   74.893  ?   ?   223.198   73.863      ?      ? 
1 1 1   -1   14   18 o  285.653   55.457  179.427   62.357  181.621   78.246  175.608  103.229  289.363   70.045  281.943   85.997 7.420868 110.9131 
1 1 1   -1   14   19 o  802.612   80.237  1495.58  160.473  1488.37  172.985  1540.09  429.760  854.179   51.895  751.045  151.852 103.1339 160.4747 
1 1 1   -1   14   20 o  298.536   93.908  209.172  122.013   0.0000   0.0000  209.172  122.013  ?   ?   298.536   93.908      ?      ? 
1 1 1   -1   14   21 o  479.398   98.210  712.176  201.870  569.915  318.286  807.914  261.106  413.536  151.235  545.260  125.335 -131.7243 196.4203 
1 1 1   -1   14   22 o  106.568   36.356   2.2277   9.1720   2.3974   9.2280 -11.6344   83.403   59.888   24.606  153.249   68.423 -93.36028 72.71243 
1 1 1   -1   14   23 o  224.322   47.935  102.124   26.326  102.232   26.936   99.828  124.378  225.490   30.611  223.154   90.852 2.336655 95.87067 
1 1 1   -1   14   24 o  105.671   33.184   22.592   15.242   22.592   15.242   0.0000   0.0000  105.671   33.184  ?   ?       ?      ? 
1 1 1   -1   14   25 o  458.626   29.651  424.903   53.068  424.903   53.068   0.0000   0.0000  458.626   29.651  ?   ?       ?      ? 
1 1 1   -1   14   26 o  259.778   54.837  158.675   32.622  159.191   33.107  141.433  191.334  280.228   30.274  239.328  105.412 40.90024 109.6733 
1 1 1   -1   14   27 f  246.970   54.112  147.885   31.339  149.233   31.657   81.575  221.991  270.923   29.942  223.017  103.999 47.90616 108.2239 
1 1 1   -1   14   28 o  284.507   57.663  217.349   37.083  217.205   37.533  223.251  240.274  326.026   29.500  242.989  111.488 83.03673 115.3252 
1 1 1   -1   14   29 o  315.393   55.122  332.855   45.420  337.666   46.238  200.488  242.526  405.232   29.239  225.553  106.297 179.6796 110.2448 
1 1 1   -1   14   30 o  187.665   47.670   81.184   26.296   83.026   26.503 -35.8443  211.245  195.389   36.088  179.941   88.246 15.44781 95.33963 
1 1 1   -1   14   31 o  196.621   56.204  112.686   65.261  129.009   68.525 -46.5217  214.014  215.597   70.620  177.645   87.456 37.95284 112.4089 
1 1 1   -1   14   32 o  287.678   52.089  270.123   43.130  273.682   44.168  197.074  200.084  361.598   31.300  213.759   99.364 147.8397 104.1778 
1 1 1   -1   15    1 o  463.038   45.871  434.863   82.775  407.705  113.981  465.171  120.407  447.671   65.244  478.404   64.495 -30.73352 91.74105 
1 1 1   -1   15    2 o  617.784   68.386  805.501  150.149  774.579  181.852  871.736  266.146  612.600   76.069  622.968  113.665 -10.36737 136.7711 
1 1 1   -1   15    3 o  281.626   49.083  155.538   50.675  131.405   60.876  209.992   91.445  249.914   62.564  313.339   75.645 -63.42455 98.16504 
1 1 1   -1   15    4 f  263.603   47.255  139.441   50.755   79.040   67.308  219.060   77.277  203.641   70.028  323.565   63.468 -119.9242 94.50974 
1 1 1   -1   15    5 o  590.509   77.610  766.814  174.601  663.529  238.399  886.317  256.434  539.854  116.573  641.164  102.488 -101.3099 155.2193 
1 1 1   -1   15    6 o  367.417   62.915  294.501   89.255  302.140  126.731  286.983  125.727  372.337   88.518  362.497   89.430 9.840515 125.8303 
1 1 1   -1   15    7 o  834.947  154.667  1711.20  485.392   0.0000   0.0000  1711.20  485.392  ?   ?   834.947  154.667      ?      ? 
1 1 1   -1   15    8 o  277.190   60.334  165.834   72.961  119.338  115.590  196.626   94.068  252.098   91.299  302.280   78.901 -50.18195 120.6686 
1 1 1   -1   15    9 o  334.776   85.250  244.216  111.672   0.0000   0.0000  244.216  111.672  ?   ?   334.776   85.250      ?      ? 
1 1 1   -1   15   10 o  790.792  149.004  1539.15  442.958   0.0000   0.0000  1539.15  442.958  ?   ?   790.792  149.004      ?      ? 
1 1 1   -1   15   11 o  410.133   59.713  351.992   94.583  217.408  125.363  529.829  144.107  314.414   94.518  505.852   73.001 -191.4375 119.4270 
1 1 1   -1   15   12 o  488.602  106.206  542.914  196.726  542.914  196.726   0.0000   0.0000  488.602  106.206  ?   ?       ?      ? 
1 1 1   -1   15   13 o  448.768   71.844  456.518  123.138  405.919  173.139  508.307  175.164  420.639  105.626  476.897   97.414 -56.25769 143.6884 
1 1 1   -1   15   14 o  339.158   64.140  256.076   86.352  260.840  127.513  252.040  117.359  341.296   93.141  337.021   88.207 4.275024 128.2796 
1 1 1   -1   15   15 o  326.198   87.347  236.414  113.406   0.0000   0.0000  236.414  113.406  ?   ?   326.198   87.347      ?      ? 
1 1 1   -1   15   16 o  259.709   59.629  144.147   68.747  137.729  106.627  148.714   89.935  257.125   88.156  262.292   80.319 -5.167297 119.2583 
1 1 1   -1   15   17 f  326.050   69.050  245.891   94.559  227.925  146.379  258.758  123.875  315.285  103.212  336.815   91.755 -21.52966 138.1000 
1 1 1   -1   15   18 o  191.350   55.290   29.530   56.768   96.022  117.760   9.4007   64.793  232.899   90.446  149.802   63.620 83.09702 110.5800 
1 1 1   -1   15   19 o  452.635   85.912  545.045  155.999  486.226  233.154  592.718  209.905  420.403  129.420  484.866  113.022 -64.46304 171.8239 
1 1 1   -1   15   20 o  170.628   49.100   16.139   53.179   86.690   84.153 -30.7631   68.615  209.001   77.535  132.254   60.262 76.74722 98.19931 
1 1 1   -1   15   21 f  277.054   60.926  190.277   73.618  211.941   92.959  153.833  120.568  299.120   78.608  254.988   93.107 44.13202 121.8529 
1 1 1   -1   15   22 o  189.625   54.684   54.856   66.539   92.882   85.373  -3.9895  106.203  208.146   77.921  171.104   76.743 37.04282 109.3672 
1 1 1   -1   15   23 o  225.919   31.578  103.253   27.840  103.253   27.840   0.0000   0.0000  225.919   31.578  ?   ?       ?      ? 
1 1 1   -1   15   24 o  293.974   52.946  238.761   39.979  244.874   41.231  142.716  163.427  347.894   30.370  240.055  101.444 107.8394 105.8924 
1 1 1   -1   15   25 o  330.403   58.700  288.546   44.165  289.729   45.411  267.865  189.838  377.852   30.797  282.955  113.288 94.89700 117.3998 
1 1 1   -1   15   26 o  194.187   56.632   42.393   19.559   40.715   19.666  194.849  187.469  137.841   36.123  250.533  107.350 -112.6919 113.2648 
1 1 1   -1   15   27 o  234.887   55.195  120.074   28.895  119.701   29.132  142.792  227.107  241.661   30.891  228.113  105.979 13.54826 110.3891 
1 1 1   -1   15   28 o  345.144   61.811  364.965   47.610  363.374   48.468  408.699  254.111  420.399   29.544  269.889  120.040 150.5099 123.6226 
1 1 1   -1   15   29 o  270.522   63.524  242.646   72.774  238.544   77.134  275.878  219.565  303.695   66.892  237.349  108.013 66.34659 127.0483 
1 1 1   -1   15   30 o  204.850   61.285  112.331   66.607  104.628   70.494  176.456  203.396  195.573   71.227  214.127   99.751 -18.55402 122.5709 
1 1 1   -1   15   31 o  112.933   43.372 -18.2539   13.479 -18.6624   13.532   33.417  152.195   49.665   23.875  176.202   83.394 -126.5367 86.74390 
1 1 1   -1   15   32 o  189.032   46.585   87.694   28.480   88.654   28.948   58.726  159.026  199.298   38.616  178.767   84.792 20.53120 93.17060 
1 1 1   -1   16    1 o  654.491   54.574  882.616  138.997  799.355  190.180  978.093  203.655  620.857   78.495  688.125   75.840 -67.26764 109.1471 
1 1 1   -1   16    2 o  212.893   45.176   85.830   38.075   71.820   45.542  118.360   69.397  187.900   57.077  237.887   70.041 -49.98695 90.35204 
1 1 1   -1   16    3 o  428.183   54.467  361.045   83.285  319.905   99.564  456.913  151.987  396.549   64.339  459.816   87.905 -63.26743 108.9349 
1 1 1   -1   16    4 o  134.630   34.225   24.595   22.182   12.441   26.918   50.313   39.157  107.734   42.815  161.526   53.407 -53.79221 68.45010 
1 1 1   -1   16    5 o  353.648   53.754  266.622   69.186  265.937   85.526  267.919  117.686  356.861   63.753  350.435   86.565 6.425995 107.5079 
1 1 1   -1   16    6 o  350.085   51.918  234.267   65.522  177.974   78.851  359.851  117.773  288.887   70.552  411.284   76.185 -122.3968 103.8351 
1 1 1   -1   16    7 o  711.358   72.514  1064.69  189.148  994.348  228.581  1217.46  336.873  686.792   85.287  735.923  117.301 -49.13098 145.0289 
1 1 1   -1   16    8 o  251.190   46.754  118.937   49.061   56.741   62.860  215.867   78.474  182.531   67.141  319.849   65.085 -137.3180 93.50888 
1 1 1   -1   16    9 o  716.834   80.575  1176.12  205.982  1214.47  256.222  1106.05  346.342  756.444   86.798  677.224  135.778 79.21997 161.1506 
1 1 1   -1   16   10 o  481.806   53.937  292.944   86.768   94.301   96.660  1117.19  196.895  227.342   83.312  736.269   68.528 -508.9270 107.8748 
1 1 1   -1   16   11 o  1060.06  157.475  3428.95  626.478  2722.48  812.872  4462.45  983.172  910.788  228.956  1209.32  216.271 -298.5354 314.9502 
1 1 1   -1   16   12 o  560.139  117.579  735.382  248.827  735.382  248.827   0.0000   0.0000  560.139  117.579  ?   ?       ?      ? 
1 1 1   -1   16   13 o  199.801   50.254   74.735   49.808   50.967   77.958   91.130   64.747  188.141   73.444  211.460   68.616 -23.31900 100.5090 
1 1 1   -1   16   14 o  232.580   55.382  111.007   59.696   93.963   91.296  123.737   78.901  223.465   81.108  241.695   75.433 -18.22983 110.7638 
1 1 1   -1   16   15 o  761.506  156.049  1552.17  448.148   0.0000   0.0000  1552.17  448.148  ?   ?   761.506  156.049      ?      ? 
1 1 1   -1   16   16 o  180.413   51.020   44.565   52.274   10.816   97.789   58.067   61.852  179.859   77.312  180.967   66.595 -1.108353 102.0395 
1 1 1   -1   16   17 o  211.117   57.674   76.837   68.234   25.939  116.402  103.484   84.223  198.139   84.736  224.095   78.262 -25.95676 115.3478 
1 1 1   -1   16   18 o  364.154   68.235  310.197   95.527  277.251  119.128  369.543  159.886  343.024   88.430  385.285  103.943 -42.26138 136.4701 
1 1 1   -1   16   19 o  413.003   62.751  420.648   95.463  459.138  118.078  348.015  162.206  461.012   65.633  364.995  106.972 96.01666 125.5024 
1 1 1   -1   16   20 o  393.828   70.873  352.732  104.917  352.732  104.917   0.0000   0.0000  393.828   70.873  ?   ?       ?      ? 
1 1 1   -1   16   21 o  209.566   82.098   90.103   97.678   90.103   97.678   0.0000   0.0000  209.566   82.098  ?   ?       ?      ? 
1 1 1   -1   16   22 o  199.864   57.202   68.893   73.695  124.729   98.084  -3.4893  111.674  227.496   83.839  172.232   77.842 55.26381 114.4049 
1 1 1   -1   16   23 o  260.421   66.543  173.749   81.411  147.656   97.450  234.033  148.121  240.135   84.165  280.708  103.092 -40.57359 133.0855 
1 1 1   -1   16   24 o  346.360   57.337  353.663   47.633  362.137   49.265  232.108  186.583  422.925   29.850  269.796  110.721 153.1298 114.6740 
1 1 1   -1   16   25 o  338.466   66.143  369.361   96.950  402.795  108.964  242.325  212.398  412.984   67.611  263.948  113.703 149.0356 132.2860 
1 1 1   -1   16   26 o  265.598   55.322  176.747   34.083  176.618   34.566  181.279  204.656  293.957   30.132  237.240  106.461 56.71690 110.6432 
1 1 1   -1   16   27 o  482.910   77.132  750.671   72.286  738.475   73.917  1017.92  346.008  597.212   31.716  368.608  150.967 228.6042 154.2630 
1 1 1   -1   16   28 o  175.481   53.207   67.578   62.978   91.917   66.498 -144.2548  196.177  187.753   69.057  163.210   80.963 24.54366 106.4138 
1 1 1   -1   16   29 o  158.335   46.323   44.418   20.707   45.526   20.824 -53.3469  195.597  143.433   36.970  173.238   84.950 -29.80504 92.64594 
1 1 1   -1   16   30 o  213.930   43.323  136.677   30.600  142.768   31.082 -55.2413  174.461  261.909   30.411  165.952   81.134 95.95724 86.64631 
1 1 1   -1   16   31 o  140.556   44.684   26.389   21.230   26.646   21.456   14.362  146.655  113.143   39.502  167.968   80.164 -54.82554 89.36862 
1 1 1   -1   17    1 o  281.877   40.123  158.179   41.817  128.079   52.929  208.178   68.216  247.258   56.136  316.496   57.343 -69.23842 80.24635 
1 1 1   -1   17    2 o  232.552   48.409  119.337   48.171  145.921   58.360   62.510   85.328  263.687   58.267  201.417   77.322 62.27016 96.81802 
1 1 1   -1   17    3 o  263.875   52.125  149.852   53.445  156.294   64.060  135.100   96.939  272.185   61.730  255.566   84.008 16.61909 104.2500 
1 1 1   -1   17    4 o  627.572   69.775  839.735  155.439  800.185  187.792  925.787  277.003  619.383   77.694  635.760  115.922 -16.37689 139.5496 
1 1 1   -1   17    5 o  186.621   43.447   69.854   37.182   84.894   46.457   43.051   62.018  201.901   56.654  171.340   65.886 30.56055 86.89417 
1 1 1   -1   17    6 o  1069.84   92.210  1949.04  306.915  1530.57  333.794  4237.94  780.661  835.611  102.363  1304.06  153.403 -468.4507 184.4195 
1 1 1   -1   17    7 f  1406.57  182.606  5263.83  767.454  4276.34  840.741 10198.70  1879.45  1278.62  168.496  1534.52  324.020 -255.9050 365.2116 
1 1 1   -1   17    8 o  697.545   80.459  1138.91  200.387  1235.05  253.525  978.863  327.117  762.468   85.205  632.622  136.509 129.8463 160.9181 
1 1 1   -1   17    9 o  641.269   63.261  697.229  136.919  492.295  155.435  1406.94  289.255  474.733   87.111  807.804   91.758 -333.0713 126.5222 
1 1 1   -1   17   10 f  965.235   90.819  1923.41  306.954  1600.68  353.050  2922.88  621.303  846.290  106.902  1084.18  146.849 -237.8895 181.6386 
1 1 1   -1   17   11 o  797.269  111.928  1660.12  335.756  1770.47  486.376  1559.65  464.071  825.239  156.761  769.299  159.804 55.94000 223.8555 
1 1 1   -1   17   12 o  421.465   71.703  408.311  116.399  406.775  169.085  409.696  160.479  419.227  103.883  423.703   98.863 -4.476624 143.4070 
1 1 1   -1   17   13 o  181.620   48.383   54.741   45.515   48.090   76.658   58.363   56.564  184.600   72.603  178.640   63.972 5.959671 96.76579 
1 1 1   -1   17   14 o  248.016   58.682  131.760   67.541   99.409  106.909  153.248   87.131  231.746   87.110  264.286   78.651 -32.53937 117.3635 
1 1 1   -1   17   15 o  253.186   61.863  133.134   71.807  157.651  121.139  119.853   89.159  268.590   93.856  237.782   80.617 30.80750 123.7253 
1 1 1   -1   17   16 o  247.713   59.760  125.241   82.073 -34.1878  135.367  217.915  103.207  187.998   85.267  307.428   83.752 -119.4295 119.5191 
1 1 1   -1   17   17 o  243.984   64.093  123.921   77.540  138.664  137.427  117.035   93.917  255.107   98.082  232.862   82.533 22.24426 128.1863 
1 1 1   -1   17   18 o  247.658   89.547  140.311  111.130  140.311  111.130   0.0000   0.0000  247.658   89.547  ?   ?       ?      ? 
1 1 1   -1   17   19 o  233.460   88.216  122.733  109.962  122.733  109.962   0.0000   0.0000  233.460   88.216  ?   ?       ?      ? 
1 1 1   -1   17   20 o  463.309   69.377  589.868  110.265  621.092  128.872  504.548  213.028  529.801   62.332  396.818  123.965 132.9825 138.7538 
1 1 1   -1   17   21 o  424.647   68.428  505.535  103.876  528.698  121.491  442.575  200.298  483.852   64.343  365.442  120.787 118.4101 136.8561 
1 1 1   -1   17   22 o  172.938   53.888   8.4255   72.373 -44.5752   98.802   69.789  106.312  148.835   69.398  197.040   82.460 -48.20488 107.7760 
1 1 1   -1   17   23 o  199.441   58.563   78.073   75.465  101.447   92.784   32.392  129.711  208.751   80.501  190.131   85.078 18.62041 117.1264 
1 1 1   -1   17   24 o  473.452   76.293  686.833  110.053  681.550  119.703  715.695  279.779  552.874   55.481  394.030  142.143 158.8445 152.5866 
1 1 1   -1   17   25 o  174.507   51.837   39.618   19.864   38.678   20.000  108.066  170.622  133.828   37.039  215.185   96.832 -81.35709 103.6736 
1 1 1   -1   17   26 o  160.088   53.925 -13.4749   72.996 -14.3865   80.353  -9.1696  174.624  138.700   63.945  181.477   86.848 -42.77652 107.8493 
1 1 1   -1   17   27 o  197.463   57.547  106.644   64.961  115.984   68.840   30.690  196.306  206.363   70.829  188.563   90.718 17.79950 115.0935 
1 1 1   -1   17   28 f  481.492   69.760  933.938   82.108  936.772   84.275  880.935  364.472  669.090   32.276  293.893  135.736 375.1974 139.5205 
1 1 1   -1   17   29 o  156.747   51.032   22.616   17.941   21.028   18.043  162.212  169.144  102.928   36.207  210.567   95.427 -107.6396 102.0648 
1 1 1   -1   17   30 o  217.553   96.541  200.943  163.452   0.0000   0.0000  200.943  163.452  ?   ?   217.553   96.541      ?      ? 
1 1 1   -1   18    1 o  745.994   61.264  1175.99  177.695  1072.72  239.612  1302.19  264.883  709.982   86.483  782.005   86.798 -72.02374 122.5285 
1 1 1   -1   18    2 o  414.295   62.944  351.049  101.765  351.049  101.765   0.0000   0.0000  414.295   62.944  ?   ?       ?      ? 
1 1 1   -1   18    3 o  858.072   97.473  1810.90  294.339  1916.81  366.567  1618.68  493.832  935.077  100.455  781.067  167.071 154.0094 194.9460 
1 1 1   -1   18    4 o  308.489   58.604  188.843   64.655  167.184   74.478  255.090  130.254  279.408   68.770  337.569   94.914 -58.16037 117.2089 
1 1 1   -1   18    5 o  786.951   78.715  1332.99  224.895  1228.00  269.021  1576.63  409.822  755.051   91.301  818.850  128.250 -63.79895 157.4298 
1 1 1   -1   18    6 o  295.613   53.516  176.512   59.370  146.837   72.350  237.690  103.882  261.755   69.619  329.471   81.295 -67.71655 107.0314 
1 1 1   -1   18    7 o  1114.22  103.688  2450.41  377.022  1971.39  417.893  4546.22  874.102  929.287  115.235  1299.16  172.413 -369.8688 207.3768 
1 1 1   -1   18    8 o  633.667   62.604  673.765  132.820  478.787  149.963  1383.30  286.074  468.179   85.220  799.154   91.731 -330.9748 125.2079 
1 1 1   -1   18    9 o  532.140   57.863  415.847   99.357  230.871  111.020  1160.05  222.685  322.270   86.477  742.010   76.904 -419.7397 115.7262 
1 1 1   -1   18   10 o  1179.29  141.039  3474.71  649.070  3474.71  649.070   0.0000   0.0000  1179.29  141.039  ?   ?       ?      ? 
1 1 1   -1   18   11 o  132.746   58.403 -10.5772   58.587 -10.5772   58.587   0.0000   0.0000  132.746   58.403  ?   ?       ?      ? 
1 1 1   -1   18   12 o  611.259  132.872  953.172  307.904  953.172  307.904   0.0000   0.0000  611.259  132.872  ?   ?       ?      ? 
1 1 1   -1   18   13 o  575.155   74.552  671.197  158.552  327.144  192.657  1393.28  279.104  360.886  118.422  789.424   90.599 -428.5380 149.1035 
1 1 1   -1   18   14 o  407.844  116.087  427.624  193.615  427.624  193.615   0.0000   0.0000  407.844  116.087  ?   ?       ?      ? 
1 1 1   -1   18   15 o  558.390  140.556  899.864  306.060  899.864  306.060   0.0000   0.0000  558.390  140.556  ?   ?       ?      ? 
1 1 1   -1   18   16 o  506.671  138.261  772.088  280.993  772.088  280.993   0.0000   0.0000  506.671  138.261  ?   ?       ?      ? 
1 1 1   -1   18   17 o  287.574   71.715  216.144  100.872  177.712  167.986  237.817  126.147  270.183  107.089  304.966   95.414 -34.78259 143.4292 
1 1 1   -1   18   18 o  247.428   69.070  140.546   92.583  156.434  173.023  134.171  109.592  256.570  106.097  238.286   88.464 18.28438 138.1398 
1 1 1   -1   18   19 o  503.305   72.589  684.229  125.751  684.377  148.462  683.855  236.570  546.430   69.623  460.181  127.394 86.24850 145.1775 
1 1 1   -1   18   20 o  264.712   66.944  192.613   88.574  217.522  120.698  163.543  130.388  280.974   93.804  248.449   95.534 32.52429 133.8879 
1 1 1   -1   18   21 o  368.181   71.242  359.589   94.275  326.825  107.634  467.548  195.381  362.257   78.412  374.105  118.966 -11.84781 142.4832 
1 1 1   -1   18   22 o  184.021   57.297   38.096   72.437   32.918   84.531   52.410  140.535  167.824   72.002  200.217   89.147 -32.39342 114.5932 
1 1 1   -1   18   23 o  208.979   61.484  100.934   82.593  125.021   95.778   31.070  163.117  220.093   82.505  197.864   91.181 22.22888 122.9675 
1 1 1   -1   18   24 f  187.163   56.274   58.381   80.214  124.939   96.158 -93.9137  145.454  215.451   82.232  158.875   76.843 56.57652 112.5471 
1 1 1   -1   18   25 o  133.971   44.623 -32.2648   57.990  -4.8304   67.768 -107.2966  112.073  132.980   60.320  134.962   65.774 -1.981918 89.24547 
1 1 1   -1   18   26 o  270.852   47.508  231.894   38.175  240.398   39.510  112.306  148.156  341.081   29.683  200.623   90.260 140.4581 95.01530 
1 1 1   -1   18   27 o   98.534   36.044  -0.2774   10.471   0.5618   10.508 -118.0950  124.511   59.748   25.504  137.320   67.426 -77.57211 72.08798 
1 1 1   -1   18   28 o  193.698   44.663   94.380   28.608   97.241   29.143   18.639  149.960  214.111   34.879  173.284   82.234 40.82715 89.32503 
1 1 1   -1   18   29 o  158.500   38.101   66.409   25.475   74.902   25.916 -176.5131  138.605  183.816   37.402  133.183   66.393 50.63264 76.20280 
1 1 1   -1   19    1 o  613.988   54.448  777.835  129.139  691.495  168.641  900.245  200.801  574.557   75.214  653.420   78.748 -78.86328 108.8964 
1 1 1   -1   19    2 f  259.868   56.990  123.411   53.039  108.686   58.800  187.704  122.866  226.665   63.785  293.071   94.462 -66.40567 113.9802 
1 1 1   -1   19    3 o  476.980   65.323  500.841  109.775  501.397  131.938  499.590  197.884  491.845   68.740  462.115  111.100 29.72958 130.6463 
1 1 1   -1   19    4 o  404.493   66.227  337.927  104.539  337.927  104.539   0.0000   0.0000  404.493   66.227  ?   ?       ?      ? 
1 1 1   -1   19    5 o  742.764   88.098  1189.97  255.358  1189.97  255.358   0.0000   0.0000  742.764   88.098  ?   ?       ?      ? 
1 1 1   -1   19    6 o  333.191   58.262  254.691   74.176  282.478   92.021  203.141  125.337  364.401   67.186  301.980   95.205 62.42151 116.5245 
1 1 1   -1   19    7 o  780.347   71.389  1100.53  188.823  863.757  212.347  1995.06  412.737  632.514   86.029  928.179  113.949 -295.6653 142.7771 
1 1 1   -1   19    8 o  147.477   60.137   20.734   54.603   20.734   54.603   0.0000   0.0000  147.477   60.137  ?   ?       ?      ? 
1 1 1   -1   19    9 o  311.148   79.972  215.471   97.634  215.471   97.634   0.0000   0.0000  311.148   79.972  ?   ?       ?      ? 
1 1 1   -1   19   10 o  403.342   85.155  366.338  129.828  366.338  129.828   0.0000   0.0000  403.342   85.155  ?   ?       ?      ? 
1 1 1   -1   19   11 f  258.195   86.283  146.855  102.119  146.855  102.119   0.0000   0.0000  258.195   86.283  ?   ?       ?      ? 
1 1 1   -1   19   12 o  412.875   61.821  343.092  105.253  125.175  131.775  727.122  174.932  249.934   96.056  575.816   77.849 -325.8821 123.6413 
1 1 1   -1   19   13 o  826.979  108.415  1527.93  307.303  918.884  348.053  3681.60  654.502  535.261  156.647  1118.70  149.922 -583.4366 216.8295 
1 1 1   -1   19   14 f  560.373  134.288  907.944  289.822   0.0000   0.0000  907.944  289.822  ?   ?   560.373  134.288      ?      ? 
1 1 1   -1   19   15 o  360.536   55.798  263.781  115.472 -165.8342  163.782  688.403  162.827  169.843   82.001  551.230   75.694 -381.3867 111.5967 
1 1 1   -1   19   16 o  340.367   77.802  329.673  116.283  332.418  193.560  328.124  145.458  331.447  118.376  349.287  100.994 -17.83990 155.6046 
1 1 1   -1   19   17 o  344.168   68.236  318.885  138.190 -116.7864  213.255  634.253  181.438  197.346   94.846  490.991   98.126 -293.6447 136.4710 
1 1 1   -1   19   18 o  260.124   68.213  179.044  112.310 -69.3382  201.286  291.326  135.334  198.136   94.383  322.112   98.509 -123.9766 136.4263 
1 1 1   -1   19   19 o  238.866   70.675  141.901  107.833  101.701  203.864  157.518  127.064  233.501  105.387  244.230   94.199 -10.72960 141.3502 
1 1 1   -1   19   20 o  241.430   62.117  154.607   77.109  177.401  100.706  122.307  119.881  258.335   85.659  224.526   89.980 33.80940 124.2332 
1 1 1   -1   19   21 o  250.266   62.840  164.448   71.677  154.705   83.450  191.857  139.965  245.152   77.727  255.381   98.763 -10.22844 125.6808 
1 1 1   -1   19   22 o  172.487   53.967   17.336   61.840  -8.2629   71.151   96.388  125.035  137.539   62.151  207.434   88.244 -69.89476 107.9339 
1 1 1   -1   19   23 o  152.116   50.674 -30.3062   72.469 -33.6400   87.633 -23.0945  128.890  138.845   64.944  165.387   77.805 -26.54219 101.3474 
1 1 1   -1   19   24 o  175.670   52.150   65.787   61.415   90.206   70.926  -7.3947  122.783  188.203   70.911  163.137   76.487 25.06615 104.3003 
1 1 1   -1   19   25 o  238.113   52.224  179.023   58.462  202.841   65.630   87.502  128.649  285.848   60.710  190.377   84.991 95.47009 104.4471 
1 1 1   -1   19   26 o  191.373   62.079   87.093  105.844 -15.0463  215.259  119.661  121.553  182.508   89.417  200.238   86.137 -17.73056 124.1577 
1 1 1   -1   19   27 o  359.540   49.802  515.742   69.172  583.809   74.684  105.000  183.460  522.385   36.635  196.694   92.622 325.6915 99.60373 
1 1 1   -1   19   28 o  112.672   37.715   11.535   14.695   13.139   14.791 -110.3204  128.932   86.933   32.455  138.411   68.091 -51.47809 75.43005 
1 1 1   -1   20    1 o  248.960   54.599  136.744   55.972  149.775   64.606   97.535  112.068  264.261   63.450  233.659   88.872 30.60188 109.1972 
1 1 1   -1   20    2 o  159.125   49.027  -1.9078   44.643  -9.6265   49.295   33.295  105.272  121.816   53.584  196.434   82.118 -74.61793 98.05378 
1 1 1   -1   20    3 o  701.482   85.811  1195.88  210.904  1229.03  257.968  1129.05  366.253  750.140   88.123  652.824  147.270 97.31604 171.6222 
1 1 1   -1   20    4 o  428.736   65.958  403.661  120.652  739.770  181.001  134.900  161.854  587.602   78.934  269.870  105.693 317.7321 131.9151 
1 1 1   -1   20    5 o  626.032   79.181  842.605  193.442  842.605  193.442   0.0000   0.0000  626.032   79.181  ?   ?       ?      ? 
1 1 1   -1   20    6 o  326.483   59.970  212.854   71.791  167.134   84.638  330.104  135.542  274.766   76.248  378.200   92.584 -103.4337 119.9394 
1 1 1   -1   20    7 o  150.532   44.438   17.137   42.653   22.989   53.798   7.2329   69.987  147.501   59.865  153.564   65.690 -6.062302 88.87621 
1 1 1   -1   20    8 o  529.873   63.755  559.428  120.781  427.645  142.658  892.992  226.963  432.455   87.536  627.292   92.716 -194.8376 127.5100 
1 1 1   -1   20    9 o  405.503   66.943  361.749  101.416  275.454  125.421  524.749  172.373  340.958   92.093  470.049   97.181 -129.0915 133.8854 
1 1 1   -1   20   10 o  551.172   84.638  686.019  182.049  686.019  182.049   0.0000   0.0000  551.172   84.638  ?   ?       ?      ? 
1 1 1   -1   20   11 o  690.459   97.775  1142.75  263.450  1142.75  263.450   0.0000   0.0000  690.459   97.775  ?   ?       ?      ? 
1 1 1   -1   20   12 o  451.282   67.134  442.240  119.922  215.438  148.549  866.629  203.202  291.607  103.750  610.958   85.229 -319.3511 134.2685 
1 1 1   -1   20   13 o  624.535  120.385  1461.12  305.405  1232.58  418.906  1720.40  446.200  552.114  174.051  696.956  166.363 -144.8425 240.7702 
1 1 1   -1   20   14 o  606.866  178.651  1557.70  451.523   0.0000   0.0000  1557.70  451.523  ?   ?   606.866  178.651      ?      ? 
1 1 1   -1   20   15 f  339.254   79.264  358.237  128.085  268.684  206.694  414.064  163.196  295.008  118.177  383.501  105.665 -88.49332 158.5274 
1 1 1   -1   20   16 o  210.917   95.036   42.906  164.982   42.906  164.982   0.0000   0.0000  210.917   95.036  ?   ?       ?      ? 
1 1 1   -1   20   17 o  227.772   65.530  123.469   89.393   35.767  193.931  147.132  100.733  215.653   99.394  239.892   85.427 -24.23930 131.0604 
1 1 1   -1   20   18 o  392.366  118.795  507.299  197.518   0.0000   0.0000  507.299  197.518  ?   ?   392.366  118.795      ?      ? 
1 1 1   -1   20   20 o  253.622   81.447  171.736   91.405  171.736   91.405   0.0000   0.0000  253.622   81.447  ?   ?       ?      ? 
1 1 1   -1   20   21 o  169.684   53.343   12.857   64.127 -19.4224   75.891   93.447  119.913  136.166   62.543  203.203   86.430 -67.03748 106.6852 
1 1 1   -1   20   22 o  254.861   66.021  160.287   73.163  109.521   82.335  350.820  159.509  203.400   76.447  306.322  107.662 -102.9224 132.0428 
1 1 1   -1   20   23 o  181.966   54.051   76.708   61.302   83.069   70.221   56.327  125.685  182.318   70.108  181.615   82.287 0.7026825 108.1026 
1 1 1   -1   20   24 o  212.915   67.785  140.562  112.229  254.016  191.979   81.661  138.326  236.572  104.821  189.257   85.975 47.31430 135.5698 
1 1 1   -1   20   25 o  189.201   62.146   76.709  108.012   68.127  185.285   81.127  132.937  191.140   90.911  187.262   84.756 3.878174 124.2915 
1 1 1   -1   20   26 o  156.254   50.719   23.882   61.440   28.136   68.764   7.0457  136.805  145.986   63.773  166.522   78.885 -20.53618 101.4389 
1 1 1   -1   20   27 o  212.136   65.267   66.433   64.391   20.726   68.152  446.534  196.534  140.614   62.372  283.659  114.668 -143.0453 130.5333 
1 1 1   -1   21    1 o  557.624   95.350  833.618  204.235  793.077  273.586  884.648  306.946  547.831  129.938  567.416  139.582 -19.58478 190.7010 
1 1 1   -1   21    2 o  290.464   59.298  219.906   76.856  271.329   86.541   27.977  167.193  354.308   64.986  226.620   99.207 127.6881 118.5962 
1 1 1   -1   21    3 o  552.560   89.924  784.219  188.735  653.992  246.689  968.047  293.093  496.532  126.850  608.589  127.493 -112.0562 179.8478 
1 1 1   -1   21    4 o  486.812   71.312  569.518  123.054  577.413  147.658  551.569  222.634  516.423   73.269  457.201  122.366 59.22226 142.6246 
1 1 1   -1   21    5 o  168.848   49.371   33.246   50.405   58.293   55.667 -80.7866  118.776  175.783   63.405  161.913   75.694 13.87027 98.74121 
1 1 1   -1   21    6 o  205.906   56.910   54.170   55.386   33.958   61.998  134.057  123.256  161.191   64.669  250.621   93.664 -89.43063 113.8206 
1 1 1   -1   21    7 o  482.179   65.855  522.800  113.716  471.882  136.736  637.008  204.782  461.781   75.878  502.577  107.657 -40.79562 131.7094 
1 1 1   -1   21    8 o  371.679   50.145  174.871   74.650   14.173   84.843  725.734  157.083  167.223   71.950  576.135   69.867 -408.9125 100.2906 
1 1 1   -1   21    9 o  454.672   87.093  585.763  158.202  598.345  229.654  574.400  218.244  456.825  125.133  452.518  121.171 4.306396 174.1860 
1 1 1   -1   21   10 o  196.704   54.989   51.933   69.683 -46.2121  106.467  125.484   92.167  159.091   73.436  234.318   81.867 -75.22650 109.9781 
1 1 1   -1   21   11 o  146.972   68.568 -57.1799   96.665 -57.1799   96.665   0.0000   0.0000  146.972   68.568  ?   ?       ?      ? 
1 1 1   -1   21   12 o  335.781  119.779  353.157  198.118  353.157  198.118   0.0000   0.0000  335.781  119.779  ?   ?       ?      ? 
1 1 1   -1   21   13 o  444.496  172.523  1073.27  428.286  1073.27  428.286   0.0000   0.0000  444.496  172.523  ?   ?       ?      ? 
1 1 1   -1   21   14 o  296.575  132.722  338.389  315.761  338.389  315.761   0.0000   0.0000  296.575  132.722  ?   ?       ?      ? 
1 1 1   -1   21   15 o  400.303  165.426  978.380  420.235  978.380  420.235   0.0000   0.0000  400.303  165.426  ?   ?       ?      ? 
1 1 1   -1   21   17 o  253.081   69.546  186.840  112.978 -29.6055  224.757  260.021  130.689  207.769   99.182  298.393   97.516 -90.62386 139.0916 
1 1 1   -1   21   18 o  235.500  109.161  122.567  238.893  122.567  238.893   0.0000   0.0000  235.500  109.161  ?   ?       ?      ? 
1 1 1   -1   21   19 o  262.336   72.270  238.036  132.564 -103.8035  276.111  340.437  151.121  202.200   99.505  322.473  104.837 -120.2735 144.5404 
1 1 1   -1   21   20 o  268.195   78.692  301.954  141.141  242.602  295.314  319.525  160.680  241.846  114.954  294.543  107.495 -52.69702 157.3831 
1 1 1   -1   21   21 o  435.289   75.640  255.550   96.796  108.653  101.545  1716.98  320.287  200.675   81.940  669.903  127.168 -469.2276 151.2807 
1 1 1   -1   21   22 o  152.440   52.216 -63.9448   93.118 -147.6719  169.992 -28.0515  111.302  154.179   76.285  150.702   71.322 3.476517 104.4327 
1 1 1   -1   21   23 o  236.015   70.018  204.210  127.193 -18.5715  190.444  383.603  170.895  177.537   86.349  294.492  110.245 -116.9548 140.0359 
1 1 1   -1   21   24 o  208.333   61.947  110.934   71.707   77.213   80.549  239.734  157.422  177.129   72.726  239.537  100.302 -62.40875 123.8934 
1 1 1   -1   21   25 o  288.286   77.548  193.738   86.277  104.960   92.086  831.639  246.840  191.382   78.074  385.190  134.011 -193.8088 155.0954 
1 1 1   -1   21   26 o  217.646   64.846  172.710   85.849  160.423   94.225  232.750  208.284  219.988   81.957  215.304  100.515 4.683533 129.6927 
1 1 1   -1   22    1 f  444.154  138.623  610.805  266.456   0.0000   0.0000  610.805  266.456  ?   ?   444.154  138.623      ?      ? 
1 1 1   -1   22    2 o  453.033  137.648  631.435  264.842   0.0000   0.0000  631.435  264.842  ?   ?   453.033  137.648      ?      ? 
1 1 1   -1   22    3 o  267.256  105.290  163.664  161.475   0.0000   0.0000  163.664  161.475  ?   ?   267.256  105.290      ?      ? 
1 1 1   -1   22    4 o  558.112  152.218  1025.29  340.693   0.0000   0.0000  1025.29  340.693  ?   ?   558.112  152.218      ?      ? 
1 1 1   -1   22    5 o  170.821   77.911 -30.0449  115.048   0.0000   0.0000 -30.0449  115.048  ?   ?   170.821   77.911      ?      ? 
1 1 1   -1   22    6 o  201.379   59.922   30.926   80.245 -28.7475  101.992  127.882  130.007  161.202   73.459  241.556   94.692 -80.35417 119.8449 
1 1 1   -1   22    7 f  288.289   68.659  183.371  101.690   47.344  133.861  368.996  156.372  206.770   89.665  369.808  104.002 -163.0387 137.3176 
1 1 1   -1   22    8 o  306.464   68.378  232.260  114.330   0.7661  166.563  438.498  157.215  205.217   93.656  407.711   99.652 -202.4937 136.7553 
1 1 1   -1   22    9 o  296.630   65.960  213.861  115.854 -95.2728  179.956  432.678  151.403  187.837   89.413  405.423   96.996 -217.5857 131.9201 
1 1 1   -1   22   10 o  432.478  145.213  721.533  289.260  721.533  289.260   0.0000   0.0000  432.478  145.213  ?   ?       ?      ? 
1 1 1   -1   22   11 o  158.921   72.903 -25.6412  102.672 -25.6412  102.672   0.0000   0.0000  158.921   72.903  ?   ?       ?      ? 
1 1 1   -1   22   12 o  196.920   84.983   55.753  119.087   55.753  119.087   0.0000   0.0000  196.920   84.983  ?   ?       ?      ? 
1 1 1   -1   22   13 o  191.758   56.721   63.170   71.445  -8.5338  134.559   91.320   84.311  181.258   83.263  202.258   77.047 -21.00023 113.4413 
1 1 1   -1   22   14 o  463.342  114.114  658.415  204.974  658.415  204.974   0.0000   0.0000  463.342  114.114  ?   ?       ?      ? 
1 1 1   -1   22   15 o  171.595   77.895   1.2422  113.291   1.2422  113.291   0.0000   0.0000  171.595   77.895  ?   ?       ?      ? 
1 1 1   -1   22   16 o  300.618  102.340  282.199  143.689  282.199  143.689   0.0000   0.0000  300.618  102.340  ?   ?       ?      ? 
1 1 1   -1   22   17 o  226.372  107.123   95.491  250.960   95.491  250.960   0.0000   0.0000  226.372  107.123  ?   ?       ?      ? 
1 1 1   -1   22   18 o  235.027  111.172  183.933  269.777  183.933  269.777   0.0000   0.0000  235.027  111.172  ?   ?       ?      ? 
1 1 1   -1   22   19 o  226.717  109.730  189.169  297.844  189.169  297.844   0.0000   0.0000  226.717  109.730  ?   ?       ?      ? 
1 1 1   -1   22   20 o  277.933   79.340  410.343  170.262   58.255  316.865  553.266  201.883  206.210  102.397  349.656  121.220 -143.4463 158.6804 
1 1 1   -1   22   21 o  348.925   79.704  359.084  111.712  202.520  125.963  935.890  241.776  237.896   93.221  459.953  129.309 -222.0575 159.4080 
1 1 1   -1   22   22 o  167.478   54.055   17.913   79.226 -48.7417  105.823  102.920  119.506  141.428   67.662  193.529   84.319 -52.10156 108.1105 
1 1 1   -1   22   23 o  197.620   61.423  109.741   86.430   87.446  104.519  157.956  153.705  184.678   79.658  210.562   93.520 -25.88446 122.8470 
1 1 1   -1   22   24 o  171.174   57.938   15.063   90.556 -10.1666  102.225  107.043  195.184  147.727   69.430  194.621   92.773 -46.89406 115.8765 
1 1 1   -1   23    1 o  292.142   70.860  212.607   81.771  206.260   88.352  250.512  215.908  292.773   76.489  291.511  119.307 1.262177 141.7208 
1 1 1   -1   23    2 o  238.393   69.203  121.522   95.785  120.083  111.536  125.563  186.957  229.819   88.361  246.967  106.531 -17.14745 138.4069 
1 1 1   -1   23    3 o  180.413   56.330   28.985   53.299   27.714   56.514   39.213  160.303  148.951   61.010  211.874   94.710 -62.92291 112.6591 
1 1 1   -1   23    4 o  340.241   71.478  299.678   91.035  280.572  102.979  368.007  194.742  339.383   79.200  341.098  119.011 -1.714783 142.9560 
1 1 1   -1   23    5 o  439.473   76.443  590.585  134.502  658.533  162.932  445.216  238.316  525.411   79.465  353.535  130.612 171.8763 152.8858 
1 1 1   -1   23    6 o  210.592   57.232   95.219   72.779  144.079   84.816 -41.2083  141.728  242.383   78.521  178.801   83.285 63.58182 114.4644 
1 1 1   -1   23    7 o  170.723   54.635 -22.5443   61.529 -51.2551   68.671   94.341  138.557  121.340   56.989  220.105   93.232 -98.76517 109.2700 
1 1 1   -1   23    8 o  235.612   64.497  106.770   79.195   52.726   93.931  239.623  147.274  184.902   77.455  286.322  103.151 -101.4197 128.9938 
1 1 1   -1   23    9 o  176.708   54.847   21.561   73.036  -7.6457  100.177   54.700  106.708  162.437   73.542  190.978   81.389 -28.54158 109.6931 
1 1 1   -1   23   10 o  482.347  105.551  665.071  193.160  665.071  193.160   0.0000   0.0000  482.347  105.551  ?   ?       ?      ? 
1 1 1   -1   23   11 o  146.678   69.659 -74.9369  107.994 -74.9369  107.994   0.0000   0.0000  146.678   69.659  ?   ?       ?      ? 
1 1 1   -1   23   12 o  269.341   99.179  213.094  137.218  213.094  137.218   0.0000   0.0000  269.341   99.179  ?   ?       ?      ? 
1 1 1   -1   23   13 o  183.817   84.289   5.5390  137.056   5.5390  137.056   0.0000   0.0000  183.817   84.289  ?   ?       ?      ? 
1 1 1   -1   23   14 o  261.220   96.799  204.740  131.094  204.740  131.094   0.0000   0.0000  261.220   96.799  ?   ?       ?      ? 
1 1 1   -1   23   15 o  249.689   66.968  185.976   90.799  144.523  125.359  231.725  131.693  227.738   91.749  271.639   97.576 -43.90083 133.9362 
1 1 1   -1   23   16 o  176.254   79.929   27.966  118.892   27.966  118.892   0.0000   0.0000  176.254   79.929  ?   ?       ?      ? 
1 1 1   -1   23   17 o  218.540   68.941  137.617  104.806  170.547  262.065  131.348  114.348  224.065  106.999  213.016   86.962 11.04947 137.8813 
1 1 1   -1   23   18 o  270.618   74.510  301.300  119.016  209.234  171.467  386.892  165.329  232.115  101.069  309.121  109.509 -77.00581 149.0208 
1 1 1   -1   23   19 o  203.296   99.536   89.725  265.422   89.725  265.422   0.0000   0.0000  203.296   99.536  ?   ?       ?      ? 
1 1 1   -1   23   20 o  227.387   70.066  218.447  136.760 -63.9917  294.735  295.943  154.386  188.680   94.474  266.095  103.498 -77.41435 140.1328 
1 1 1   -1   23   21 o  227.871   72.112  234.641  136.561  172.951  271.714  255.491  157.961  210.590  102.585  245.152  101.375 -34.56129 144.2236 
1 1 1   -1   23   22 o  163.404   76.728   12.449  124.356   12.449  124.356   0.0000   0.0000  163.404   76.728  ?   ?       ?      ? 
1 1 1   -1   23   23 o  138.128   68.023 -111.4908  129.810 -111.4908  129.810   0.0000   0.0000  138.128   68.023  ?   ?       ?      ? 
1 1 1   -1   24    1 o  160.846   55.413 -16.6740   54.316  -9.4539   55.835 -143.9839  234.460  124.969   55.877  196.723   95.710 -71.75342 110.8270 
1 1 1   -1   24    2 o  484.495  186.916  1556.79  500.385   0.0000   0.0000  1556.79  500.385  ?   ?   484.495  186.916      ?      ? 
1 1 1   -1   24    3 o  323.068   77.756  222.818   86.915  171.434   93.301  560.105  239.041  258.205   82.221  387.931  131.999 -129.7255 155.5117 
1 1 1   -1   24    4 o  226.699   62.090  126.328   73.151  142.284   79.338   35.836  188.940  239.580   75.769  213.818   98.384 25.76230 124.1790 
1 1 1   -1   24    5 o  239.016   66.281  134.717   77.675  124.490   86.380  177.921  177.546  224.845   79.209  253.188  106.296 -28.34383 132.5627 
1 1 1   -1   24    6 o  284.122   68.919  242.181   95.133  267.653  110.782  170.641  185.657  317.881   86.842  250.363  107.041 67.51773 137.8385 
1 1 1   -1   24    7 o  237.953   66.881  101.329   79.771   50.988   90.258  280.980  170.506  180.702   75.822  295.203  110.196 -114.5008 133.7617 
1 1 1   -1   24    8 o  411.550   83.177  466.549  125.099  364.747  143.549  787.975  255.072  355.556   99.524  467.543  133.300 -111.9872 166.3545 
1 1 1   -1   24    9 o  223.289   64.178   35.771   88.404 -73.1557  105.323  295.500  162.636  144.486   68.669  302.091  108.443 -157.6045 128.3564 
1 1 1   -1   24   10 o  238.952   95.115  156.902  133.041  156.902  133.041   0.0000   0.0000  238.952   95.115  ?   ?       ?      ? 
1 1 1   -1   24   11 o  189.232   60.386   22.164   93.948 -31.4018  123.507   95.716  144.727  165.408   77.281  213.055   92.809 -47.64760 120.7725 
1 1 1   -1   24   12 o  239.023   68.558   92.400  109.391 -74.8233  139.220  362.241  176.851  161.852   77.480  316.195  113.128 -154.3430 137.1166 
1 1 1   -1   24   13 o  279.664   76.436  260.288  141.743   3.8533  202.033  508.861  198.912  197.448   94.194  361.879  120.405 -164.4307 152.8724 
1 1 1   -1   24   14 o  239.861   65.992  152.069  101.678  -6.5463  139.597  331.304  148.394  173.021   81.260  306.701  104.004 -133.6793 131.9845 
1 1 1   -1   24   15 o  225.400   94.618  168.096  140.650  168.096  140.650   0.0000   0.0000  225.400   94.618  ?   ?       ?      ? 
1 1 1   -1   24   16 o  168.079   78.371   11.636  126.001   11.636  126.001   0.0000   0.0000  168.079   78.371  ?   ?       ?      ? 
1 1 1   -1   24   17 o  156.870   78.818 -248.7996  213.957 -248.7996  213.957   0.0000   0.0000  156.870   78.818  ?   ?       ?      ? 
1 1 1   -1   24   18 o  155.234   75.946 -89.2074  153.637 -89.2074  153.637   0.0000   0.0000  155.234   75.946  ?   ?       ?      ? 
1 1 1   -1   24   19 f  191.974   90.467   80.194  175.624   80.194  175.624   0.0000   0.0000  191.974   90.467  ?   ?       ?      ? 
1 1 1   -1   24   20 o  177.928   87.196 -17.1597  205.093 -17.1597  205.093   0.0000   0.0000  177.928   87.196  ?   ?       ?      ? 
1 1 1   -1   24   21 o  211.267   67.638  162.948  130.082 -12.5137  193.260  308.289  175.892  173.825   85.070  248.709  105.179 -74.88365 135.2757 
1 1 1   -1   25    1 o  334.005  130.740  464.676  247.557   0.0000   0.0000  464.676  247.557  ?   ?   334.005  130.740      ?      ? 
1 1 1   -1   25    2 o  276.502   73.194  244.048  109.511  267.764  124.435  162.578  230.628  306.061   94.602  246.943  111.714 59.11795 146.3881 
1 1 1   -1   25    3 o  397.694  155.522  865.855  350.046   0.0000   0.0000  865.855  350.046  ?   ?   397.694  155.522      ?      ? 
1 1 1   -1   25    4 o  259.587   72.090  164.826   87.289  132.890   96.271  312.415  206.959  227.356   83.171  291.818  117.774 -64.46188 144.1804 
1 1 1   -1   25    5 o  192.469   61.092   39.039   77.425   26.951   85.988   90.828  177.981  165.105   71.731  219.834   98.913 -54.72929 122.1847 
1 1 1   -1   25    6 o  184.853   59.825   13.758   80.882  -5.5195   91.672   81.494  171.837  154.801   70.194  214.904   96.896 -60.10272 119.6500 
1 1 1   -1   25    7 o  280.460   73.925  243.307  100.705  223.715  116.013  303.198  202.835  277.423   91.937  283.498  115.788 -6.074951 147.8491 
1 1 1   -1   25    8 o  288.587   73.424  287.518  109.922  309.860  129.245  229.105  208.981  322.069   95.779  255.105  111.314 66.96472 146.8483 
1 1 1   -1   25    9 o  234.294   69.199   46.820   98.346 -72.0880  113.100  415.477  199.144  146.847   70.171  321.741  119.290 -174.8939 138.3986 
1 1 1   -1   25   10 o  175.121   80.194   17.554  123.495   17.554  123.495   0.0000   0.0000  175.121   80.194  ?   ?       ?      ? 
1 1 1   -1   25   11 o  173.153   57.205   1.6799   93.150 -13.5657  119.101   25.696  149.486  162.264   75.838  184.042   85.663 -21.77815 114.4096 
1 1 1   -1   25   12 o  177.126   57.523 -18.3566   86.867 -112.7972  106.958  164.641  148.887  130.642   63.798  223.610   95.737 -92.96786 115.0466 
1 1 1   -1   25   13 o  280.702  112.938  364.490  189.676  364.490  189.676   0.0000   0.0000  280.702  112.938  ?   ?       ?      ? 
1 1 1   -1   25   14 o  202.084   87.366  119.148  126.310  119.148  126.310   0.0000   0.0000  202.084   87.366  ?   ?       ?      ? 
1 1 1   -1   25   15 o  190.196   85.795   87.095  134.898   87.095  134.898   0.0000   0.0000  190.196   85.795  ?   ?       ?      ? 
1 1 1   -1   25   16 o  223.061   97.342  192.764  159.844  192.764  159.844   0.0000   0.0000  223.061   97.342  ?   ?       ?      ? 
1 1 1   -1   25   17 o  184.929   61.245   60.652  111.284 -68.6944  228.483  100.879  127.419  177.316   87.858  192.542   85.350 -15.22644 122.4897 
1 1 1   -1   25   18 o  324.898   86.157  529.138  155.448  300.489  198.003  896.474  250.969  241.702  106.805  408.094  135.220 -166.3927 172.3132 
1 1 1   -1   25   19 o  206.808   62.585  136.393  106.713 -77.1082  178.041  256.095  133.313  161.296   79.478  252.320   96.700 -91.02357 125.1698 
1 1 1   -1   26    1 o  439.970   93.660  552.805  155.875  552.805  155.875   0.0000   0.0000  439.970   93.660  ?   ?       ?      ? 
1 1 1   -1   26    2 o  319.942   99.145  322.854  136.574  322.854  136.574   0.0000   0.0000  319.942   99.145  ?   ?       ?      ? 
1 1 1   -1   26    3 o  391.377  104.400  487.734  162.393  487.734  162.393   0.0000   0.0000  391.377  104.400  ?   ?       ?      ? 
1 1 1   -1   26    4 o  200.974   81.160   99.642   98.346   99.642   98.346   0.0000   0.0000  200.974   81.160  ?   ?       ?      ? 
1 1 1   -1   26    5 o  151.488   69.182  -3.3558   91.077  -3.3558   91.077   0.0000   0.0000  151.488   69.182  ?   ?       ?      ? 
1 1 1   -1   26    6 o  208.195   84.987  116.897  109.200  116.897  109.200   0.0000   0.0000  208.195   84.987  ?   ?       ?      ? 
1 1 1   -1   26    7 o  128.910   61.422 -57.7481   85.357 -57.7481   85.357   0.0000   0.0000  128.910   61.422  ?   ?       ?      ? 
1 1 1   -1   26    8 o  217.896   85.687  141.562  106.764  141.562  106.764   0.0000   0.0000  217.896   85.687  ?   ?       ?      ? 
1 1 1   -1   26    9 o  168.345   55.713   4.5349   78.228 -18.4389   90.166   74.476  157.322  142.855   66.505  193.835   89.402 -50.97946 111.4254 
1 1 1   -1   26   10 o  218.557   67.123   91.399   87.722   18.847   98.576  367.521  192.307  159.180   72.414  277.934  113.041 -118.7538 134.2467 
1 1 1   -1   26   11 o  185.576   58.822   65.052   79.418   37.614   93.353  136.936  151.100  163.262   72.678  207.891   92.510 -44.62918 117.6445 
1 1 1   -1   26   12 o  158.243   50.559  -0.8356   75.469   87.393   92.624 -175.0947  130.172  184.948   77.147  131.539   65.371 53.40823 101.1187 
1 1 1   -1   26   13 o  250.138   71.926  244.849  106.940  182.381  134.670  351.481  175.947  224.572   93.294  275.705  109.497 -51.13272 143.8513 
1 1 1   -1   26   14 o  254.549   71.816  221.537  111.410   74.505  139.670  478.735  184.727  186.034   85.225  323.065  115.616 -137.0312 143.6328 
1 1 1   -1   26   15 o  208.697   68.153  157.964  135.003   58.475  237.564  205.418  164.072  193.336   94.555  224.057   98.176 -30.72133 136.3052 
1 1 1   -1   26   16 o  200.254   94.578  130.408  193.892  130.408  193.892   0.0000   0.0000  200.254   94.578  ?   ?       ?      ? 
1 1 1   -1   26   17 f  233.765   70.391  240.502  132.862   1.9921  205.425  412.018  174.202  177.335   86.979  290.195  110.700 -112.8610 140.7825 
1 1 1   -1   27    1 o  234.848   64.268  193.179   92.212  231.556  107.899   89.223  177.585  269.974   88.625  199.723   93.097 70.25098 128.5353 
1 1 1   -1   27    2 f  205.178   65.503   97.077  116.830  220.914  164.993 -27.4544  165.454  237.577  101.225  172.778   83.165 64.79845 131.0067 
1 1 1   -1   27    3 o  185.960   59.210   36.892   79.924 -19.2665   93.519  189.035  153.926  144.132   67.309  227.789   97.430 -83.65729 118.4194 
1 1 1   -1   27    4 o  216.798   60.870  149.805   87.622  207.754  104.547   13.010  160.630  255.005   87.292  178.591   84.856 76.41376 121.7396 
1 1 1   -1   27    5 o  149.223   49.307 -10.6439   66.416 -19.0816   80.572   7.2430  117.312  135.474   63.001  162.971   75.866 -27.49709 98.61407 
1 1 1   -1   27    6 o  164.040   52.537   32.153   70.459   47.192   84.267  -2.7918  128.451  163.986   71.127  164.095   77.341 -0.1090851 105.0745 
1 1 1   -1   27    7 o  185.343   57.003   82.716   78.020  107.819   92.032   18.588  147.094  196.074   78.746  174.613   82.440 21.46132 114.0059 
1 1 1   -1   27    8 o  161.967   53.680   7.3789   74.458  -4.7636   85.861   44.202  149.521  143.097   66.017  180.836   84.664 -37.73904 107.3600 
1 1 1   -1   27    9 o  141.611   66.121 -16.3056   90.186 -16.3056   90.186   0.0000   0.0000  141.611   66.121  ?   ?       ?      ? 
1 1 1   -1   27   10 o  153.275   52.050 -30.3195   81.892 -26.7166   95.665 -40.1997  158.419  141.510   66.711  165.040   79.914 -23.53056 104.0991 
1 1 1   -1   27   11 o  212.427   68.841  167.302  129.703  204.853  181.781  128.359  185.120  221.954   99.906  202.899   94.736 19.05516 137.6813 
1 1 1   -1   27   13 o  205.644   67.118  152.477  124.597  151.525  207.145  153.017  155.965  204.547   96.948  206.741   92.845 -2.194656 134.2352 
1 1 1   -1   27   14 o  166.135   54.789   12.806   85.254 -52.0375  110.205  109.446  134.538  140.616   67.732  191.654   86.138 -51.03835 109.5781 
1 1 1   -1   27   15 o  210.206   65.483  148.059  104.880   40.808  135.317  309.427  165.982  170.148   79.941  250.264  103.737 -80.11565 130.9654 
1 1 1   -1   28    1 o  161.409   54.522 -10.4879   80.571 -24.7487   91.578   38.370  169.508  139.783   65.703  183.035   87.027 -43.25273 109.0435 
1 1 1   -1   28    2 o  302.164   74.256  427.247  131.227  516.408  159.814  242.705  229.918  378.830  104.642  225.497  105.385 153.3327 148.5120 
1 1 1   -1   28    3 o  229.406   71.085  222.112  125.753  269.068  164.426  155.943  195.188  248.888  103.215  209.924   97.768 38.96327 142.1691 
1 1 1   -1   28    4 o  217.206   68.153  158.750  125.467  296.424  170.094  -5.5648  185.823  256.431  105.531  177.981   86.270 78.44954 136.3063 
1 1 1   -1   28    5 o  205.540   67.188  133.487  128.029   68.372  181.609  197.821  180.516  190.407   90.400  220.672   99.422 -30.26520 134.3758 
1 1 1   -1   28    6 o  158.914   54.716 -61.9843  107.866 -73.6818  168.163 -53.8071  140.600  161.979   79.290  155.850   75.421 6.128845 109.4312 
1 1 1   -1   28    7 o  179.068   60.107   12.374  118.671 -131.3203  177.660  128.138  159.462  156.494   77.529  201.643   91.874 -45.14911 120.2148 
1 1 1   -1   28    8 o  180.094   59.729   20.674   98.930 -62.0471  121.960  179.830  169.168  145.570   70.397  214.617   96.512 -69.04765 119.4583 
1 1 1   -1   28    9 o   99.512   50.137 -210.8409   89.804 -210.8409   89.804   0.0000   0.0000   99.512   50.137  ?   ?       ?      ? 
1 1 1   -1   28   10 f  157.746   53.272 -15.9244   87.525 -44.8301  109.922   34.148  144.675  142.422   68.355  173.069   81.726 -30.64651 106.5433 
1 1 1   -1   28   11 o  214.977   62.614   12.041   95.552 -195.3697  116.307  442.711  167.595  118.568   59.365  311.387  110.263 -192.8187 125.2287 
1 1 1   -1   28   12 o  187.232   88.186   99.569  166.490   0.0000   0.0000   99.569  166.490  ?   ?   187.232   88.186      ?      ? 
1 1 1   -1   29    1 o  259.599   73.455  341.922  129.778  385.633  151.643  222.280  250.882  305.814  105.114  213.384  102.634 92.42903 146.9108 
1 1 1   -1   29    2 o  144.906   50.945 -97.2629   90.627 -90.2865  101.677 -124.2270  199.894  127.985   62.435  161.827   80.519 -33.84231 101.8891 
1 1 1   -1   29    3 o  241.597   73.817  288.770  126.886  274.305  146.761  331.589  252.505  253.054  100.160  230.140  108.460 22.91321 147.6333 
1 1 1   -1   29    4 o  186.810   63.122   61.274  111.266   18.569  127.806  194.973  226.138  164.606   77.449  209.015   99.696 -44.40898 126.2447 
1 1 1   -1   29    5 f  177.801   60.506   29.738  110.510  -9.9873  130.482  130.535  207.846  158.174   75.525  197.428   94.552 -39.25337 121.0127 
1 1 1   -1   29    6 o  161.687   55.877 -37.9870   98.191 -82.9803  114.687   85.540  190.031  135.698   66.222  187.677   90.021 -51.97951 111.7549 
1 1 1   -1   29    7 o  281.188   81.318  293.418  126.426  104.640  143.803  935.977  265.308  187.832   86.207  374.544  137.909 -186.7115 162.6362 
1 1 1    0    0    3 o   88.534   25.472   21.376   12.218   21.376   12.218   21.376   12.218   88.534   36.023   88.534   36.023 -0.000000 0.000000 
1 1 1    0    0    4 o  980.297   24.956  1888.91  134.616  1888.91  134.616  1888.91  134.616  980.297   35.293  980.297   35.293 -0.000000 0.000000 
1 1 1    0    0    5 o  108.072   19.113   26.679   9.8614   26.679   9.8614   26.679   9.8614  108.072   27.029  108.072   27.029 -0.000000 0.000000 
1 1 1    0    0    6 o  1987.35   43.770  7819.50  479.014  7819.50  479.014  7819.50  479.014  1987.35   61.901  1987.35   61.901 0.000000 0.000000 
1 1 1    0    0    7 o   50.324   18.135   7.2521   6.3346   7.2521   6.3346   7.2521   6.3346   50.324   25.647   50.324   25.647 -0.000000 0.000000 
1 1 1    0    0    8 o  1363.72   31.790  3667.20  238.663  3667.20  238.663  3667.20  238.663  1363.72   44.957  1363.72   44.957 -0.000000 0.000000 
1 1 1    0    0    9 o   46.288   17.934   5.8313   6.5682   5.8313   6.5682   5.8313   6.5682   46.288   25.362   46.288   25.362 0.000000 0.000000 
1 1 1    0    0   10 o  733.120   30.255  1068.40  121.455  1068.40  121.455  1068.40  121.455  733.120   42.787  733.120   42.787 -0.000000 0.000000 
1 1 1    0    0   11 o   23.753   11.502  -3.1890   4.7972  -3.1890   4.7972  -3.1890   4.7972   23.753   16.267   23.753   16.267 0.000000 0.000000 
1 1 1    0    0   12 o   19.263   9.6604  -5.7252   4.3143  -5.7252   4.3143  -5.7252   4.3143   19.263   13.662   19.263   13.662 -0.000000 0.000000 
1 1 1    0    0   13 o   66.523   21.979   12.717   9.0035   12.717   9.0035   12.717   9.0035   66.523   31.083   66.523   31.083 0.000000 0.000000 
1 1 1    0    0   14 o  667.941   20.376  881.864   74.792  881.864   74.792  881.864   74.792  667.941   28.816  667.941   28.816 0.000000 0.000000 
1 1 1    0    0   15 o   52.521   21.718   6.4118   10.509   6.4118   10.509   6.4118   10.509   52.521   30.714   52.521   30.714 -0.000000 0.000000 
1 1 1    0    0   16 o  528.897   18.564  552.304   53.883  552.304   53.883  552.304   53.883  528.897   26.254  528.897   26.254 0.000000 0.000000 
1 1 1    0    0   17 o   26.493   12.868  -4.3210   6.1060  -4.3210   6.1060  -4.3210   6.1060   26.493   18.197   26.493   18.197 0.000000 0.000000 
1 1 1    0    0   18 o  927.054   24.246  1694.16  123.661  1694.16  123.661  1694.16  123.661  927.054   34.288  927.054   34.288 -0.000000 0.000000 
1 1 1    0    0   19 o   59.023   22.461   9.7079   10.124   9.7079   10.124   9.7079   10.124   59.023   31.764   59.023   31.764 0.000000 0.000000 
1 1 1    0    0   20 o  395.561   17.489  309.792   37.836  309.792   37.836  309.792   37.836  395.561   24.733  395.561   24.733 -0.000000 0.000000 
1 1 1    0    0   21 o   68.807   23.598   13.658   10.479   13.658   10.479   13.658   10.479   68.807   33.373   68.807   33.373 0.000000 0.000000 
1 1 1    0    0   22 o  1193.86   41.575  2856.08  272.408  2856.08  272.408  2856.08  272.408  1193.86   58.795  1193.86   58.795 0.000000 0.000000 
1 1 1    0    0   23 o  117.622   39.044   40.142   28.443   40.142   28.443   40.142   28.443  117.622   55.217  117.622   55.217 0.000000 0.000000 
1 1 1    0    0   24 o   57.648   23.461   8.1889   11.966   8.1889   11.966   8.1889   11.966   57.648   33.179   57.648   33.179 -0.000000 0.000000 
1 1 1    0    0   25 o   69.443   26.178   13.639   13.631   13.639   13.631   13.639   13.631   69.443   37.022   69.443   37.022 0.000000 0.000000 
1 1 1    0    0   26 o  280.806   18.810  158.845   28.550  158.845   28.550  158.845   28.550  280.806   26.602  280.806   26.602 0.000000 0.000000 
1 1 1    0    0   27 o  169.835   31.622   67.625   25.608   67.625   25.608   67.625   25.608  169.835   44.721  169.835   44.721 -0.000000 0.000000 
1 1 1    0    0   28 o  1466.34   34.799  4342.10  280.890  4342.10  280.890  4342.10  280.890  1466.34   49.213  1466.34   49.213 -0.000000 0.000000 
1 1 1    0    0   29 o   18.902   9.8377 -21.2269   7.2339 -21.2269   7.2339 -21.2269   7.2339   18.902   13.913   18.902   13.913 -0.000000 0.000000 
1 1 1    0    0   30 o  645.519   21.317  832.189   75.566  832.189   75.566  832.189   75.566  645.519   30.147  645.519   30.147 0.000000 0.000000 
1 1 1    0    0   31 o   63.358   26.536   9.2405   16.048   9.2405   16.048   9.2405   16.048   63.358   37.527   63.358   37.527 0.000000 0.000000 
1 1 1    0    0   32 o  596.334   21.691  713.899   70.955  713.899   70.955  713.899   70.955  596.334   30.675  596.334   30.675 -0.000000 0.000000 
1 1 1    0    0   33 o   80.706   30.626   19.273   18.772   19.273   18.772   19.273   18.772   80.706   43.311   80.706   43.311 -0.000000 0.000000 
1 1 1    0    0   34 o  189.159   62.091  122.780   71.805  122.780   71.805  122.780   71.805  189.159   87.809  189.159   87.809 0.000000 0.000000 
1 1 1    0    0   35 o   61.243   26.913   6.1153   18.292   6.1153   18.292   6.1153   18.292   61.243   38.061   61.243   38.061 -0.000000 0.000000 
1 1 1    0    0   36 o  436.921   22.429  391.375   53.427  391.375   53.427  391.375   53.427  436.921   31.719  436.921   31.719 0.000000 0.000000 
1 1 1    0    0   37 o   54.710   24.911   1.4074   17.329   1.4074   17.329   1.4074   17.329   54.710   35.230   54.710   35.230 0.000000 0.000000 
1 1 1    0    1    2 o  948.201   70.828  1533.66  148.956  1471.73  154.967  2285.69  540.055  863.516   45.987  1032.89  133.984 -169.3686 141.6567 
1 1 1    0    1    3 o  472.793   17.474  437.625   32.240  440.289   45.725  434.992   45.464  474.224   24.708  471.363   24.716 2.861450 34.94805 
1 1 1    0    1    4 o  435.156   17.081  370.621   29.002  379.007   41.344  362.497   40.694  440.005   24.078  430.306   24.234 9.699524 34.16189 
1 1 1    0    1    5 o  1170.13   28.204  2695.64  128.752  2737.82  184.701  2655.76  179.573  1178.96   40.146  1161.30   39.624 17.66138 56.40717 
1 1 1    0    1    6 o  692.453   20.383  940.393   55.078  944.295   78.167  936.546   77.621  693.875   28.868  691.032   28.784 2.842773 40.76577 
1 1 1    0    1    7 o  567.945   18.710  632.310   41.466  627.783   58.487  636.885   58.799  565.899   26.484  569.991   26.435 -4.092468 37.41928 
1 1 1    0    1    8 o  777.648   21.716  1188.16   65.900  1190.15   93.396  1186.19   92.997  778.288   30.751  777.007   30.670 1.281677 43.43117 
1 1 1    0    1    9 o  923.131   24.054  1678.67   86.651  1681.72  122.824  1675.65  122.264  923.954   34.064  922.308   33.970 1.645264 48.10736 
1 1 1    0    1   10 o  183.739   23.993   68.674   16.558   69.017   22.990   68.304   23.869  184.367   33.173  183.111   34.673 1.256012 47.98588 
1 1 1    0    1   11 o  204.130   16.058   81.776   12.779   76.880   17.896   86.870   18.254  197.873   23.176  210.388   22.233 -12.51582 32.11632 
1 1 1    0    1   12 f  491.749   17.975  476.409   34.493  483.128   49.037  469.828   48.528  495.189   25.376  488.309   25.466 6.880310 35.95089 
1 1 1    0    1   13 o  294.164   20.644  175.327   22.100  183.100   27.145  160.045   38.061  304.916   22.813  283.411   34.414 21.50577 41.28860 
1 1 1    0    1   14 o  1018.30   25.972  2071.52  103.171  2036.48  143.648  2108.85  148.273  1009.58   36.461  1027.01   36.996 -17.42517 51.94334 
1 1 1    0    1   15 o  251.939   23.026  126.091   22.595  117.993   32.099  134.046   31.813  243.757   33.744  260.122   31.339 -16.36507 46.05230 
1 1 1    0    1   16 o  449.200   17.590  396.913   30.833  400.486   43.699  393.371   43.511  451.222   24.817  447.179   24.934 4.043091 35.17937 
1 1 1    0    1   17 o  418.283   20.964  340.658   32.293  332.434   39.380  357.542   56.425  411.334   24.533  425.232   34.002 -13.89807 41.92897 
1 1 1    0    1   18 o  224.938   16.515   99.373   14.483  104.099   20.430   94.599   20.534  230.352   22.727  219.524   23.970 10.82840 33.03094 
1 1 1    0    1   19 o  879.104   23.479  1524.05   80.528  1503.18  112.369  1546.09  115.463  872.982   32.984  885.227   33.424 -12.24469 46.95879 
1 1 1    0    1   20 f  1485.53   34.428  4407.60  199.529  4353.32  278.344  4464.99  286.174  1476.40   48.311  1494.67   49.063 -18.27649 68.85583 
1 1 1    0    1   21 o  429.064   17.699  361.163   29.616  347.078   41.039  376.469   42.781  420.348   25.018  437.781   25.042 -17.43356 35.39785 
1 1 1    0    1   22 o  307.766   21.201  183.363   24.072  197.060   42.129  176.723   29.331  315.669   34.199  299.864   25.065 15.80481 42.40110 
1 1 1    0    1   23 o  530.055   26.532  552.949   54.882  552.949   54.882   0.0000   0.0000  530.055   26.532  ?   ?       ?      ? 
1 1 1    0    1   24 o  355.700   17.959  249.200   24.901  260.202   34.999  237.922   35.436  363.744   24.657  347.656   26.119 16.08780 35.91881 
1 1 1    0    1   25 o  226.766   19.028  101.035   16.793   91.202   23.079  112.098   24.480  215.029   27.504  238.503   26.302 -23.47391 38.05584 
1 1 1    0    1   26 f  596.415   19.992  703.356   46.519  695.291   64.950  711.852   66.660  592.963   28.069  599.867   28.476 -6.903809 39.98410 
1 1 1    0    1   28 o  437.959   18.922  381.294   32.332  379.505   45.218  383.165   46.249  436.982   26.517  438.937   27.000 -1.954773 37.84367 
1 1 1    0    1   29 o   66.828   19.995   0.7475   9.0989  -5.1814   14.330   4.7526   11.778   63.723   28.413   69.933   28.141 -6.209881 39.98999 
1 1 1    0    1   30 f  326.277   19.727  214.309   25.049  229.941   35.213  198.297   35.640  338.760   26.637  313.793   29.105 24.96753 39.45356 
1 1 1    0    1   31 o  142.315   26.218   43.317   14.904   34.004   21.141   52.518   21.014  127.342   38.933  157.289   35.124 -29.94672 52.43527 
1 1 1    0    1   32 o  119.998   27.078   29.818   14.526   22.901   21.430   35.696   19.756  110.513   39.397  129.483   37.157 -18.97061 54.15537 
1 1 1    0    1   33 o   83.286   23.755   5.8381   11.818   14.652   18.910   0.1895   15.138   95.747   36.485   70.826   30.431 24.92107 47.50998 
1 1 1    0    1   34 o  183.898   47.613   85.410   45.826  102.522   59.062   59.527   72.639  199.650   65.571  168.147   69.054 31.50331 95.22581 
1 1 1    0    1   35 o  208.984   26.548   95.185   21.022   82.653   29.986  107.298   29.480  192.007   41.249  225.962   33.432 -33.95514 53.09639 
1 1 1    0    1   36 o  215.142   26.991  100.818   22.147  100.379   32.210  101.212   30.502  212.311   40.352  217.973   35.858 -5.661942 53.98220 
1 1 1    0    1   37 o  331.058   23.619  232.272   30.509  238.143   43.547  226.613   42.756  335.257   33.285  326.858   33.520 8.399475 47.23868 
1 1 1    0    2    0 o  230.201   48.453  106.014   46.790  100.646   65.953  111.453   66.390  225.264   68.745  235.139   68.301 -9.874786 96.90644 
1 1 1    0    2    1 o   67.102   19.249   3.4955   7.8628   3.3776   11.111   3.6138   11.129   66.892   27.185   67.312   27.260 -0.4198837 38.49824 
1 1 1    0    2    2 o  764.633   86.886  1235.71  259.164  1282.17  370.392  1191.16  362.753  779.218  121.807  750.049  123.934 29.16919 173.7711 
1 1 1    0    2    3 o  131.420   33.798   27.920   22.468   31.073   31.851   24.798   31.698  135.023   48.041  127.816   47.552 7.206947 67.59558 
1 1 1    0    2    4 o  1177.99   37.273  2748.89  171.247  2815.64  247.242  2687.34  237.417  1191.56   53.171  1164.42   52.248 27.14221 74.54535 
1 1 1    0    2    5 o  267.193   20.048  148.946   19.271  168.918   24.121  113.698   32.044  293.838   21.035  240.548   34.136 53.28915 40.09655 
1 1 1    0    2    6 o  2401.19   53.173 11645.31  497.856 11903.21  721.303 11410.65  688.024  2425.43   76.207  2376.95   74.174 48.47803 106.3455 
1 1 1    0    2    7 o  1024.24   26.066  2062.40  104.068  2142.79  151.628  1990.80  143.093  1042.98   37.254  1005.51   36.467 37.47345 52.13137 
1 1 1    0    2    8 o  905.627   23.725  1613.70   83.836  1631.72  119.667  1596.32  117.488  910.565   33.677  900.689   33.426 9.876038 47.44944 
1 1 1    0    2    9 o  215.222   19.215   90.896   15.324   91.142   26.160   90.768   18.907  215.230   31.146  215.214   22.512 0.1597595E-01 38.42967 
1 1 1    0    2   10 o  389.584   21.236  309.394   30.326  334.069   37.894  265.448   50.572  412.628   23.533  366.540   35.356 46.08868 42.47182 
1 1 1    0    2   11 o  463.876   17.640  423.089   31.932  418.903   44.883  427.379   45.438  461.557   24.919  466.195   24.976 -4.638214 35.28081 
1 1 1    0    2   12 o   85.953   18.051   14.645   6.5972   11.150   9.3429   18.121   9.3169   77.668   26.098   94.238   24.944 -16.57046 36.10126 
1 1 1    0    2   13 o  560.567   23.253  619.090   47.583  608.123   57.653  642.522   84.272  554.712   26.633  566.422   38.125 -11.70929 46.50659 
1 1 1    0    2   14 o  398.105   24.023  314.005   37.189  279.803   50.806  353.481   54.582  374.684   34.747  421.526   33.181 -46.84122 48.04549 
1 1 1    0    2   15 o  179.951   23.548   72.275   14.849   46.893   25.029   86.060   18.445  150.690   41.324  209.212   22.593 -58.52258 47.09691 
1 1 1    0    2   16 o  102.658   22.107   21.717   9.7153   12.394   17.281   26.024   11.747   92.585   34.975  112.731   27.049 -20.14630 44.21403 
1 1 1    0    2   17 o  214.217   19.638   91.201   15.685   93.431   19.627   87.261   26.092  218.165   23.054  210.269   31.798 7.896072 39.27584 
1 1 1    0    2   18 o  389.337   17.264  297.770   26.212  303.259   36.624  292.005   37.531  393.070   23.876  385.604   24.941 7.466064 34.52718 
1 1 1    0    2   19 o  119.637   20.856   29.419   9.7047   32.666   13.414   25.854   14.057  126.457   27.928  112.817   30.983 13.64037 41.71218 
1 1 1    0    2   20 f  521.510   18.633  534.459   37.914  537.046   53.181  531.784   54.067  522.833   26.065  520.187   26.634 2.646118 37.26658 
1 1 1    0    2   21 o  244.829   16.883  118.127   16.067  125.584   22.266  110.027   23.208  253.001   22.552  236.656   25.129 16.34515 33.76535 
1 1 1    0    2   22 o  688.032   29.877  935.941   79.828  875.842  106.668  1012.46  120.357  663.455   41.199  712.609   43.280 -49.15381 59.75395 
1 1 1    0    2   23 o  531.392   24.412  548.704   45.852  534.990   54.064  583.843   86.540  521.357   26.573  541.428   40.959 -20.07117 48.82353 
1 1 1    0    2   24 o  575.687   19.645  652.830   44.103  644.146   61.057  662.303   63.772  571.772   27.364  579.601   28.195 -7.828918 39.29060 
1 1 1    0    2   25 o  639.929   20.554  808.430   51.288  797.763   70.955  820.100   74.220  635.635   28.605  644.224   29.522 -8.589783 41.10765 
1 1 1    0    2   26 o  106.572   21.929   19.902   10.389   37.290   16.156   7.6430   13.565  134.467   31.363   78.677   30.657 55.78985 43.85809 
1 1 1    0    2   27 o  147.608   26.022   42.858   14.863   60.693   23.947   31.684   18.956  170.748   37.007  124.469   36.594 46.27927 52.04492 
1 1 1    0    2   28 f  741.873   22.249  1102.64   64.398  1111.06   90.335  1093.93   91.828  744.993   31.072  738.753   31.853 6.240234 44.49794 
1 1 1    0    2   29 o  370.790   19.760  274.966   28.467  272.976   38.450  277.379   42.349  369.728   26.649  371.851   29.184 -2.123077 39.52039 
1 1 1    0    2   30 o  336.535   19.983  226.328   26.144  212.128   35.145  243.920   39.119  324.982   27.712  348.088   28.798 -23.10608 39.96612 
1 1 1    0    2   31 o  174.178   24.906   63.972   16.339   71.632   23.723   57.059   22.536  184.634   34.183  163.722   36.231 20.91245 49.81148 
1 1 1    0    2   32 o  299.731   22.094  182.088   25.757  163.691   35.094  203.570   37.923  283.200   31.755  316.261   30.727 -33.06146 44.18725 
1 1 1    0    2   33 o  113.458   26.192   24.055   13.436   38.238   21.514   14.987   17.204  132.936   38.958   93.980   35.018 38.95559 52.38335 
1 1 1    0    2   34 o  176.036   41.889   72.841   42.813  124.789   52.310 -32.5634   74.513  224.979   58.893  127.092   59.586 97.88726 83.77866 
1 1 1    0    2   35 o  150.539   29.078   51.509   17.613   45.809   26.587   55.967   23.512  142.454   43.679  158.624   38.395 -16.17015 58.15508 
1 1 1    0    2   36 f  216.961   25.799  101.056   21.364  109.642   31.676   93.891   28.935  226.876   35.778  207.046   37.178 19.83043 51.59727 
1 1 1    0    2   37 o  417.061   22.299  364.845   36.201  401.979   52.454  331.071   50.024  438.080   30.683  396.042   32.367 42.03757 44.59898 
1 1 1    0    3    1 f   98.299   24.399   16.665   11.601   18.312   16.423   15.024   16.390  100.998   34.597   95.601   34.414 5.397148 48.79870 
1 1 1    0    3    2 o  117.302   30.741   20.813   18.778   25.321   26.644   16.363   26.469  122.766   43.911  111.839   43.034 10.92650 61.48256 
1 1 1    0    3    3 o  424.422   65.339  381.695  105.150  378.052  148.471  385.360  148.938  422.280   92.643  426.564   92.164 -4.283386 130.6787 
1 1 1    0    3    4 o  321.079   57.570  216.961   72.236  221.619  102.409  212.349  101.907  324.494   81.098  317.664   81.734 6.829468 115.1398 
1 1 1    0    3    5 o  828.005   67.593  1276.27  122.625  1248.42  127.877  1594.61  432.303  795.662   41.184  860.349  128.760 -64.68634 135.1865 
1 1 1    0    3    6 o  155.719   21.247   49.192   12.443   50.223   17.662   48.176   17.533  157.408   29.845  154.031   30.248 3.377045 42.49308 
1 1 1    0    3    7 o  525.035   21.574  552.778   42.929  598.690   55.957  487.100   66.926  552.573   25.950  497.497   34.472 55.07623 43.14767 
1 1 1    0    3    8 o   84.045   18.549   13.663   6.6292   13.724   10.694   13.624   8.4481   85.317   27.896   82.772   24.457 2.544441 37.09879 
1 1 1    0    3    9 o  185.138   17.925   60.895   12.086   50.871   14.297   85.992   22.622  161.084   22.744  209.193   27.712 -48.10870 35.85010 
1 1 1    0    3   10 o  607.315   19.326  725.501   45.801  731.593   65.032  719.505   64.516  609.846   27.326  604.784   27.336 5.061157 38.65192 
1 1 1    0    3   11 o  385.382   16.900  292.058   25.410  300.190   36.035  284.017   35.835  390.751   23.631  380.014   24.165 10.73709 33.79906 
1 1 1    0    3   12 o  673.771   20.348  898.019   53.501  903.975   75.989  892.165   75.340  675.977   28.806  671.566   28.748 4.411438 40.69689 
1 1 1    0    3   13 f  131.857   21.922   30.978   10.003   25.336   11.520   48.269   20.166  111.032   26.876  152.683   34.640 -41.65162 43.84361 
1 1 1    0    3   14 o  673.736   28.975  902.914   75.812  826.578  101.348  999.899  114.236  641.934   40.457  705.538   41.491 -63.60419 57.95009 
1 1 1    0    3   15 o  247.234   21.216  122.194   19.183  116.732   33.168  124.939   23.514  242.457   35.055  252.011   23.910 -9.553452 42.43268 
1 1 1    0    3   16 o  400.473   21.593  322.795   31.926  296.275   53.562  337.409   39.762  386.657   35.498  414.289   24.594 -27.63171 43.18517 
1 1 1    0    3   17 o  255.203   19.465  123.815   18.642  113.448   22.978  143.777   31.885  240.327   24.501  270.079   30.253 -29.75293 38.92984 
1 1 1    0    3   18 o  250.789   17.233  123.574   16.832  125.318   23.187  121.630   24.474  252.714   23.511  248.863   25.201 3.850327 34.46534 
1 1 1    0    3   19 f  410.131   17.464  330.396   27.930  335.992   38.942  324.469   40.080  413.767   24.117  406.495   25.266 7.271576 34.92891 
1 1 1    0    3   20 o  151.367   20.069   45.511   11.520   35.133   15.600   57.962   17.086  130.950   31.006  171.783   25.488 -40.83327 40.13754 
1 1 1    0    3   21 o  287.314   21.781  161.504   23.727  167.966   38.743  157.626   30.013  291.548   34.053  283.079   27.169 8.468475 43.56290 
1 1 1    0    3   22 o  189.907   30.266   83.573   18.544   91.329   20.670   51.580   41.982  215.583   24.570  164.231   55.320 51.35121 60.53108 
1 1 1    0    3   23 f  729.346   21.570  1047.39   61.279  1009.81   83.629  1090.95   90.050  715.406   29.955  743.286   31.045 -27.88000 43.14078 
1 1 1    0    3   24 o  427.634   18.802  360.107   31.285  359.392   42.627  360.942   46.061  427.324   25.562  427.943   27.581 -0.6185913 37.60499 
1 1 1    0    3   25 o  169.625   22.139   58.504   14.227   67.828   19.933   48.823   20.312  185.398   27.551  153.852   34.662 31.54575 44.27792 
1 1 1    0    3   26 o  103.816   23.967   20.775   11.353   14.820   17.172   25.397   15.131   95.720   35.110  111.912   32.635 -16.19220 47.93487 
1 1 1    0    3   27 o  103.028   25.470   19.267   11.779   15.280   23.001   20.684   13.713  104.246   40.115  101.811   31.394 2.434944 50.93904 
1 1 1    0    3   28 o  168.751   23.381   59.073   14.842   64.001   21.158   54.298   20.826  176.118   31.962  161.383   34.134 14.73564 46.76206 
1 1 1    0    3   29 o  635.722   21.726  813.276   53.692  808.317   72.742  819.211   79.581  634.437   29.381  637.007   32.013 -2.570740 43.45216 
1 1 1    0    3   30 o  162.661   24.980   56.103   15.384   54.045   22.396   57.941   21.167  159.361   36.762  165.962   33.830 -6.601410 49.95953 
1 1 1    0    3   31 o  260.564   22.483  137.006   22.770  125.933   30.598  150.747   34.087  248.955   31.495  272.173   32.093 -23.21843 44.96548 
1 1 1    0    3   32 o  284.296   21.798  165.110   24.103  172.862   33.336  156.617   34.891  291.901   29.265  276.690   32.314 15.21097 43.59628 
1 1 1    0    3   33 o  127.126   36.943   34.795   19.419   0.0000   0.0000   34.795   19.419  ?   ?   127.126   36.943      ?      ? 
1 1 1    0    3   34 o  246.678   38.804  195.499   34.825  224.189   37.908   40.344   88.155  329.820   29.452  163.536   71.802 166.2838 77.60812 
1 1 1    0    3   35 o   99.582   24.963   17.931   13.822  -8.4914   24.204   30.716   16.837   80.163   36.234  119.001   34.347 -38.83723 49.92641 
1 1 1    0    3   36 o  267.560   23.994  151.676   24.965  140.522   35.696  162.354   34.928  256.865   35.611  278.255   32.166 -21.38992 47.98724 
1 1 1    0    3   37 o  508.082   34.723  650.346   59.488  800.937   75.564  404.889   96.473  617.139   31.376  399.026   61.954 218.1129 69.44643 
1 1 1    0    4    0 o  1764.38  189.742  7294.36  1300.36  8285.18  1934.93  6478.28  1756.04  1877.58  264.079  1651.18  272.525 226.3993 379.4832 
1 1 1    0    4    1 o   98.566   24.217   17.080   11.397   16.976   16.041   17.187   16.196   98.292   34.165   98.839   34.330 -0.5467300 48.43353 
1 1 1    0    4    2 o  171.503   40.920   54.855   32.485   54.991   45.940   54.720   45.943  171.639   57.869  171.367   57.871 0.2715607 81.84040 
1 1 1    0    4    3 o  298.992   54.326  186.600   64.122  219.561   92.369  155.941   89.086  323.844   74.624  274.141   78.971 49.70285 108.6515 
1 1 1    0    4    4 o  903.573  101.702  1802.09  358.611  1794.64  506.480  1809.58  507.828  901.611  143.950  905.535  143.708 -3.923462 203.4045 
1 1 1    0    4    5 o  785.449   90.297  1334.61  276.739  1363.28  393.775  1306.64  389.006  794.167  127.059  776.732  128.337 17.43494 180.5945 
1 1 1    0    4    6 o  315.434   57.185  210.607   70.769  222.665  100.744  198.862   99.434  324.286   80.084  306.581   81.651 17.70499 114.3694 
1 1 1    0    4    7 o   95.020   26.265   10.651   14.123   12.146   20.200   9.2220   19.753   97.242   37.544   92.797   36.741 4.444862 52.53034 
1 1 1    0    4    8 o  475.853   25.284  445.006   46.853  484.729   68.651  410.371   64.102  495.691   35.490  456.014   36.022 39.67697 50.56740 
1 1 1    0    4    9 o  858.754   27.244  1474.22   90.193  1712.55  126.507  1227.85  128.623  931.175   34.814  786.333   41.916 144.8421 54.48809 
1 1 1    0    4   10 o  602.328   22.867  733.145   52.454  826.550   70.155  614.729   78.991  647.824   27.750  556.833   36.351 90.99127 45.73311 
1 1 1    0    4   11 o   88.407   20.429   15.807   8.3273   20.658   9.4586  -0.9115   17.560  100.454   24.376   76.360   32.790 24.09449 40.85823 
1 1 1    0    4   12 o   69.366   16.769   8.6329   5.4835   10.122   7.7968   7.1755   7.7134   73.007   23.817   65.726   23.614 7.281479 33.53893 
1 1 1    0    4   13 o   74.372   17.678   10.250   6.0893   11.693   8.1662   8.4421   9.1387   77.405   24.286   71.340   25.696 6.064270 35.35658 
1 1 1    0    4   14 f   66.655   23.709   7.5227   7.7572   0.0000   0.0000   7.5227   7.7572  ?   ?    66.655   23.709      ?      ? 
1 1 1    0    4   15 o  229.398   16.465  103.739   14.690  112.041   20.607   95.162   20.946  238.839   22.109  219.956   24.403 18.88310 32.92905 
1 1 1    0    4   16 o  925.017   30.006  1691.44  101.059  1744.57  179.552  1666.80  122.263  932.132   49.361  917.902   34.132 14.22974 60.01255 
1 1 1    0    4   17 o  656.637   20.197  848.406   51.745  869.446   73.968  828.240   72.414  664.616   28.520  648.658   28.607 15.95770 40.39469 
1 1 1    0    4   18 o  1159.76   28.415  2652.98  128.103  2826.01  191.695  2513.36  172.199  1193.28   41.166  1126.23   39.180 67.04968 56.83068 
1 1 1    0    4   19 o  157.705   19.308   50.025   11.535   54.094   15.873   45.472   16.792  166.006   24.502  149.403   29.846 16.60280 38.61528 
1 1 1    0    4   20 o  506.494   18.855  504.256   37.222  504.263   51.377  504.248   54.001  506.591   25.988  506.397   27.326 0.1940918 37.71090 
1 1 1    0    4   21 f  778.606   27.167  1204.10   78.543  1196.82  133.057  1207.99   97.304  774.821   44.005  782.390   31.870 -7.569763 54.33359 
1 1 1    0    4   22 o  707.643   27.104  967.867   67.407  934.938   79.029  1055.78  129.129  688.659   29.407  726.627   45.539 -37.96808 54.20831 
1 1 1    0    4   23 o  220.089   18.828   94.962   16.127   90.210   21.843  100.655   23.910  214.098   26.144  226.081   27.100 -11.98326 37.65546 
1 1 1    0    4   24 o  993.038   26.021  1959.67  100.788  1965.71  140.467  1953.27  144.699  994.914   36.179  991.162   37.410 3.752380 52.04263 
1 1 1    0    4   25 o  456.419   19.504  410.658   34.534  405.808   46.265  416.761   51.894  453.652   26.134  459.186   28.960 -5.533844 39.00836 
1 1 1    0    4   26 o  646.647   24.837  842.444   59.885  862.114   74.982  807.797   99.513  659.456   29.137  633.837   40.232 25.61896 49.67425 
1 1 1    0    4   27 o  136.980   27.529   38.136   14.343   38.949   27.309   37.826   16.856  139.000   44.506  134.960   32.412 4.039505 55.05745 
1 1 1    0    4   28 o  303.041   20.222  184.351   23.656  190.577   31.574  176.384   35.719  309.479   26.143  296.603   30.859 12.87579 40.44465 
1 1 1    0    4   29 o  543.352   31.382  595.867   66.542   0.0000   0.0000  595.867   66.542  ?   ?   543.352   31.382      ?      ? 
1 1 1    0    4   30 o   82.325   22.807   9.1869   10.147   4.0344   18.934   11.263   12.018   83.413   34.845   81.236   29.436 2.177284 45.61386 
1 1 1    0    4   31 o  331.813   21.603  219.696   27.717  197.053   36.324  251.258   42.885  311.970   29.836  351.655   31.250 -39.68570 43.20628 
1 1 1    0    4   32 o  198.967   26.444   84.304   19.753   89.905   28.878   79.380   27.079  205.291   37.426  192.644   37.369 12.64714 52.88809 
1 1 1    0    4   33 o  275.187   32.302  180.176   30.655  125.557   50.591  211.863   38.535  229.434   56.806  320.940   30.768 -91.50616 64.60306 
1 1 1    0    4   34 o  150.061   42.852   38.300   24.923   37.313   25.885   50.846   92.290  130.976   43.428  169.147   73.886 -38.17097 85.70357 
1 1 1    0    4   35 o  335.659   23.129  237.566   29.633  296.787   42.520  181.644   41.319  379.268   28.729  292.050   36.254 87.21866 46.25722 
1 1 1    0    4   36 o  350.552   22.441  257.226   30.628  280.486   43.912  235.191   42.740  366.760   30.681  334.343   32.758 32.41684 44.88220 
1 1 1    0    4   37 o  152.861   30.415   55.095   18.796   47.679   31.032   59.393   23.622  143.169   47.554  162.552   37.931 -19.38229 60.82909 
1 1 1    0    5    1 o  145.225   30.872   42.008   18.921   40.062   26.644   43.988   26.874  142.396   43.736  148.053   43.584 -5.656799 61.74470 
1 1 1    0    5    2 o  1443.41  160.109  5497.48  810.949  5928.38  1021.59  4763.36  1333.44  1611.57  162.441  1275.26  275.956 336.3065 320.2169 
1 1 1    0    5    3 o  488.089   70.107  509.693  128.967  539.065  184.408  481.575  180.430  502.806   97.502  473.373  100.764 29.43277 140.2142 
1 1 1    0    5    4 o  373.627   61.549  296.859   88.146  321.043  126.081  273.737  123.280  389.065   85.385  358.189   88.670 30.87665 123.0971 
1 1 1    0    5    5 o  735.297  122.223  1170.68  350.710  1170.68  350.710   0.0000   0.0000  735.297  122.223  ?   ?       ?      ? 
1 1 1    0    5    6 o  544.128  106.636  646.117  218.334  646.117  218.334   0.0000   0.0000  544.128  106.636  ?   ?       ?      ? 
1 1 1    0    5    7 o  733.383   90.629  1208.27  253.638  1117.61  351.032  1307.30  366.891  696.848  133.951  769.918  122.113 -73.06964 181.2579 
1 1 1    0    5    8 o  123.370   25.626   32.326   12.588   36.794   14.424   18.053   25.778  134.294   28.410  112.446   42.658 21.84818 51.25295 
1 1 1    0    5    9 o  145.044   31.971   40.312   17.024   40.714   18.801   38.481   40.122  140.727   34.501  149.361   53.836 -8.634094 63.94254 
1 1 1    0    5   10 o  671.013   66.036  1024.72   81.604  1031.14   84.782  943.911  300.835  722.279   30.079  619.748  128.602 102.5308 132.0727 
1 1 1    0    5   11 o  682.485   69.982  1116.24   86.165  1127.28   89.525  977.366  317.490  754.160   30.419  610.810  136.618 143.3499 139.9636 
1 1 1    0    5   12 o   78.498   21.834   8.1511   7.3810   8.9587   7.8832   2.4114   21.016   70.257   23.971   86.739   36.501 -16.48264 43.66838 
1 1 1    0    5   13 o  343.211   22.705  231.644   30.256  258.842   45.624  210.294   40.423  360.965   32.389  325.457   31.828 35.50809 45.40958 
1 1 1    0    5   14 o  670.773   23.986  899.276   60.741  920.204   77.283  865.458   98.242  682.547   29.015  658.998   38.202 23.54889 47.97112 
1 1 1    0    5   15 o  416.885   21.246  328.443   31.764  307.922   37.548  380.092   59.569  395.773   24.311  437.997   34.851 -42.22388 42.49264 
1 1 1    0    5   16 o  128.554   18.596   33.725   9.0124   35.866   12.642   31.512   12.851  132.930   25.294  124.177   27.267 8.753708 37.19267 
1 1 1    0    5   17 f  243.820   16.705  118.381   15.522  148.001   22.001   89.027   21.902  274.807   20.515  212.832   26.370 61.97589 33.41029 
1 1 1    0    5   18 o  425.822   17.858  356.196   29.648  359.611   41.162  352.515   42.738  428.008   24.644  423.635   25.852 4.372406 35.71640 
1 1 1    0    5   19 o  715.448   21.315  1007.30   59.483  1052.69   85.178  964.090   83.102  731.234   29.850  699.662   30.436 31.57214 42.63073 
1 1 1    0    5   20 o  500.083   22.854  483.807   42.759  526.813   72.815  461.172   52.826  516.020   36.159  484.145   27.960 31.87518 45.70866 
1 1 1    0    5   21 o  466.606   24.679  369.612   36.808  330.734   40.690  544.723   86.356  410.189   25.419  523.023   42.310 -112.8339 49.35837 
1 1 1    0    5   22 f  275.433   36.996  158.434   26.312  159.460   28.211  151.575   72.960  284.757   25.387  266.109   69.501 18.64777 73.99226 
1 1 1    0    5   23 o  330.904   19.204  216.084   24.547  218.685   32.599  212.678   37.303  333.439   25.053  328.369   29.111 5.070618 38.40707 
1 1 1    0    5   24 o  224.549   20.615   99.026   17.978   94.447   24.069  104.805   27.039  218.794   28.190  230.304   30.086 -11.50975 41.22907 
1 1 1    0    5   25 o   71.747   20.108   5.2676   7.8495   7.4840   14.119   4.2762   9.4432   79.568   31.202   63.926   25.374 15.64174 40.21671 
1 1 1    0    5   26 o  876.593   24.774  1528.22   84.195  1470.20  111.975  1603.70  127.712  858.494   33.423  894.692   36.578 -36.19897 49.54896 
1 1 1    0    5   27 o  189.771   30.233   78.254   21.242   63.206   36.997   85.654   25.944  172.647   51.222  206.895   32.133 -34.24796 60.46676 
1 1 1    0    5   28 f  241.026   20.734  116.822   19.408  123.867   26.755  108.997   28.197  249.095   27.524  232.956   31.016 16.13838 41.46756 
1 1 1    0    5   29 o  279.129   21.295  156.865   23.079  155.500   31.070  158.546   34.472  278.206   28.618  280.052   31.542 -1.846558 42.59014 
1 1 1    0    5   30 o  164.378   25.311   57.003   15.759   63.737   23.217   51.249   21.460  173.593   35.470  155.163   36.117 18.42963 50.62202 
1 1 1    0    5   31 o  266.898   22.154  144.190   23.018  133.002   31.345  157.285   33.912  255.686   31.414  278.110   31.246 -22.42421 44.30805 
1 1 1    0    5   32 o  168.696   31.017   67.610   20.814   41.848   36.640   79.886   25.292  143.159   51.464  194.233   34.638 -51.07442 62.03447 
1 1 1    0    5   33 o  138.050   27.760   41.644   15.364   41.676   25.141   41.625   19.410  137.750   42.514  138.350   35.709 -0.6004181 55.52053 
1 1 1    0    5   34 o  166.418   42.428 -13.6157   22.836 -29.7077   23.656  206.532   87.497   66.218   31.762  266.618   78.688 -200.4002 84.85618 
1 1 1    0    5   35 o  176.119   28.482   71.982   19.589   50.628   30.623   86.770   25.485  148.552   47.084  203.687   32.061 -55.13498 56.96310 
1 1 1    0    5   36 o  294.571   23.654  181.932   27.074  199.212   40.667  168.177   36.283  306.678   33.980  282.465   32.916 24.21265 47.30895 
1 1 1    0    6    0 o  1048.29  155.470  2324.99  636.005  2324.99  636.005   0.0000   0.0000  1048.29  155.470  ?   ?       ?      ? 
1 1 1    0    6    1 o  290.361   57.051  173.758   62.339  173.758   62.339   0.0000   0.0000  290.361   57.051  ?   ?       ?      ? 
1 1 1    0    6    2 o  237.708   54.387  116.920   49.358  116.920   49.358   0.0000   0.0000  237.708   54.387  ?   ?       ?      ? 
1 1 1    0    6    3 o  295.810   55.607  184.796   65.314  179.645   92.100  190.008   92.639  291.784   78.962  299.836   78.317 -8.052032 111.2139 
1 1 1    0    6    4 o  375.188   61.667  300.964   88.693  332.134  127.290  271.550  123.650  394.843   85.117  355.533   89.255 39.31042 123.3344 
1 1 1    0    6    5 o  152.324   37.706   41.322   27.705   45.819   39.306   36.883   39.056  157.146   53.525  147.502   53.122 9.643280 75.41132 
1 1 1    0    6    6 o  1031.29  137.166  2797.76  531.742  2842.74  756.134  2753.77  747.926  1040.57  193.323  1022.01  194.640 18.56610 274.3327 
1 1 1    0    6    7 o   84.999   23.464   8.0362   11.403   13.080   16.290   3.1907   15.967   92.184   34.130   77.815   32.208 14.36992 46.92802 
1 1 1    0    6    8 o  201.305   45.659   81.819   40.641   78.761   57.439   84.884   57.512  198.427   64.639  204.183   64.504 -5.755753 91.31796 
1 1 1    0    6    9 o  559.409   59.339  668.308   76.987  666.072   81.677  686.120  230.508  578.956   36.151  539.863  113.038 39.09369 118.6780 
1 1 1    0    6   10 o  768.795   78.356  1336.86  128.172  1327.19  134.835  1427.50  412.841  812.603   42.520  724.988  150.833 87.61517 156.7120 
1 1 1    0    6   11 o  350.834   47.081  245.764   42.385  239.658   45.236  289.659  121.291  346.949   33.411  354.718   88.036 -7.769653 94.16280 
1 1 1    0    6   12 f  224.812   38.764  105.116   28.445  105.737   31.511  102.383   66.112  230.279   35.066  219.346   69.145 10.93237 77.52783 
1 1 1    0    6   13 o  621.294   23.327  776.266   54.740  811.272   70.145  721.743   87.541  640.889   28.047  601.700   37.282 39.18909 46.65381 
1 1 1    0    6   14 o  194.295   22.246   79.849   14.940   86.828   18.241   65.628   26.039  210.257   22.231  178.334   38.541 31.92310 44.49272 
1 1 1    0    6   15 o  372.988   20.664  281.110   28.448  297.762   35.567  251.535   47.399  389.381   23.406  356.596   34.061 32.78561 41.32840 
1 1 1    0    6   16 o  1223.94   34.841  3023.34  161.554  3105.44  206.980  2895.36  258.438  1249.42   42.451  1198.46   55.258 50.95239 69.68211 
1 1 1    0    6   17 o  587.145   23.234  684.954   50.874  697.377   63.573  662.831   84.836  595.579   27.353  578.711   37.565 16.86829 46.46846 
1 1 1    0    6   18 o  610.897   23.919  754.647   54.669  810.441   69.758  665.831   88.012  642.000   27.844  579.795   38.899 62.20532 47.83707 
1 1 1    0    6   19 o  502.027   36.278  498.426   71.073  498.426   71.073   0.0000   0.0000  502.027   36.278  ?   ?       ?      ? 
1 1 1    0    6   20 o  592.595   19.853  691.615   45.878  708.471   64.226  674.054   65.556  600.089   27.426  585.101   28.711 14.98810 39.70527 
1 1 1    0    6   21 o  407.224   25.365  326.023   40.309  326.023   40.309   0.0000   0.0000  407.224   25.365  ?   ?       ?      ? 
1 1 1    0    6   22 o   67.852   18.472   6.1153   6.7928   2.4942   11.646   7.9822   8.3625   66.733   27.555   68.971   24.608 -2.238747 36.94377 
1 1 1    0    6   23 o  726.200   22.348  1034.69   62.823  984.332   82.934  1102.50   96.231  706.061   30.099  746.339   33.041 -40.27765 44.69505 
1 1 1    0    6   24 o  231.358   21.161  105.478   18.923  103.444   24.983  108.215   28.983  228.940   27.963  233.775   31.770 -4.835052 42.32294 
1 1 1    0    6   25 o  665.710   21.954  880.809   56.870  903.427   78.155  855.356   82.907  675.291   29.657  656.129   32.380 19.16235 43.90894 
1 1 1    0    6   26 o  1041.59   39.787  2188.73  161.721   0.0000   0.0000  2188.73  161.721  ?   ?   1041.59   39.787      ?      ? 
1 1 1    0    6   27 o  707.127   22.756  989.486   61.961  927.538   80.331  1080.47   97.353  681.278   30.215  732.976   34.035 -51.69873 45.51213 
1 1 1    0    6   28 o  464.898   21.956  431.798   38.901  420.820   49.669  449.216   62.567  458.726   27.746  471.070   34.035 -12.34357 43.91156 
1 1 1    0    6   29 o  727.128   23.943  1072.12   67.131  1050.01   88.063  1102.79  103.721  720.382   31.326  733.873   36.217 -13.49139 47.88502 
1 1 1    0    6   30 o  349.446   56.930  326.619   42.392  329.794   43.745  277.669  171.773  404.822   27.690  294.069  110.441 110.7528 113.8592 
1 1 1    0    6   31 o  356.665   25.785  266.301   35.263  238.005   53.060  288.685   47.192  337.252   40.317  376.078   32.156 -38.82562 51.56971 
1 1 1    0    6   32 f  183.236   26.870   72.966   18.861   56.528   27.398   87.774   26.004  159.863   42.986  206.609   32.252 -46.74670 53.74014 
1 1 1    0    6   33 o  162.681   50.150   19.182   23.219   14.318   23.609  162.699  128.237  100.703   40.073  224.658   91.947 -123.9548 100.3000 
1 1 1    0    6   34 o  140.602   41.683   33.502   26.463   36.307   27.434  -4.0290  100.361  129.835   44.704  151.368   70.366 -21.53271 83.36594 
1 1 1    0    6   35 f  153.330   29.126   50.016   17.162   66.042   29.409   41.740   21.134  169.609   44.042  137.052   38.125 32.55699 58.25109 
1 1 1    0    6   36 o  191.958   28.594   78.948   20.250  102.868   33.595   65.297   25.379  213.352   41.845  170.564   38.981 42.78787 57.18879 
1 1 1    0    7    1 o  318.105   41.747  208.992   49.908  216.860   70.785  201.215   70.376  324.465   58.035  311.745   60.027 12.71976 83.49400 
1 1 1    0    7    2 o  552.243   48.955  618.417  105.461  642.544  150.350  595.048  147.968  563.089   68.422  541.397   70.036 21.69110 97.91090 
1 1 1    0    7    3 o  749.756   80.382  1256.62  213.571  1326.03  265.718  1129.95  358.962  799.870   85.128  699.641  136.375 100.2297 160.7635 
1 1 1    0    7    4 o   30.684   9.2579  -0.0987   1.9033  -0.2976   2.4134   0.2286   3.0954   28.037   12.099   33.330   14.016 -5.292839 18.51588 
1 1 1    0    7    5 o  390.290   63.418  331.108   94.669  364.336  135.925  299.806  131.928  410.376   87.545  370.203   91.777 40.17273 126.8354 
1 1 1    0    7    6 o  471.917   70.004  493.072  124.829  556.457  180.915  435.473  172.458  503.302   95.607  440.531  102.281 62.76996 140.0080 
1 1 1    0    7    7 o  590.198   82.976  812.399  184.381  821.944  261.491  802.961  260.022  594.048  116.962  586.348  117.728 7.699158 165.9514 
1 1 1    0    7    8 o  184.298   43.377   67.420   36.526   65.073   51.641   69.769   51.670  182.031   61.355  186.566   61.333 -4.535614 86.75372 
1 1 1    0    7    9 o  152.503   38.353   42.291   28.713   40.100   40.771   44.447   40.442  150.401   54.261  154.605   54.218 -4.204056 76.70617 
1 1 1    0    7   10 f  198.809   38.836   78.034   26.487   74.797   29.518   91.409   60.006  189.445   41.108  208.172   65.901 -18.72659 77.67146 
1 1 1    0    7   11 f   87.248   24.790   7.3610   12.899   6.4086   17.909   8.3876   18.593   85.384   34.580   89.111   35.530 -3.726868 49.57994 
1 1 1    0    7   12 o  618.271   37.457  762.691   90.375  762.691   90.375   0.0000   0.0000  618.271   37.457  ?   ?       ?      ? 
1 1 1    0    7   13 o  345.138   44.204  243.236   31.911  242.125   33.282  255.903  112.343  350.841   24.309  339.435   85.000 11.40652 88.40805 
1 1 1    0    7   14 o  651.334   63.604  938.265   75.822  942.448   78.651  883.240  285.245  691.402   29.150  611.267  123.823 80.13458 127.2081 
1 1 1    0    7   15 o  749.550   54.100  835.665   70.139  802.905   71.589  1620.13  350.314  638.548   28.729  860.551  104.315 -222.0032 108.1992 
1 1 1    0    7   16 o  193.354   26.217   83.937   16.712   93.354   19.547   58.355   32.218  218.140   22.962  168.567   47.138 49.57216 52.43312 
1 1 1    0    7   17 o  1029.24   36.072  2119.62  144.827  2039.08  202.535  2203.90  207.178  1009.03   51.436  1049.46   50.588 -40.42938 72.14411 
1 1 1    0    7   18 o  1241.98  116.738  3331.72  285.830  3246.15  297.467  4361.60  1032.00  1266.88   60.169  1217.08  225.590 49.79358 233.4767 
1 1 1    0    7   19 o  489.616   23.487  465.535   40.937  454.733   48.523  492.213   76.254  481.045   25.848  498.187   39.223 -17.14151 46.97390 
1 1 1    0    7   20 o  508.109   27.112  524.787   46.261  537.885   53.663  486.892   91.279  522.980   26.294  493.237   47.423 29.74295 54.22445 
1 1 1    0    7   21 o  947.748   79.698  1849.14  128.819  1829.91  132.281  2202.17  566.755  961.201   35.266  934.296  155.446 26.90479 159.3961 
1 1 1    0    7   22 o  161.394   34.356   26.515   14.616   20.329   15.203  101.985   53.104  102.823   33.237  219.965   60.139 -117.1430 68.71272 
1 1 1    0    7   23 o  913.635   85.486  1808.74  126.985  1793.25  130.492  2085.47  551.507  950.622   35.176  876.647  167.315 73.97473 170.9724 
1 1 1    0    7   24 o  892.605   31.413  1507.49   95.143  1416.79  108.794  1802.42  196.179  844.938   32.995  940.272   53.465 -95.33472 62.82623 
1 1 1    0    7   25 o  322.702   49.295  139.671   44.401  105.128   47.216  403.712  130.538  221.691   54.872  423.713   81.910 -202.0220 98.59097 
1 1 1    0    7   26 o  163.320   26.859   67.145   22.173 -40.5013   43.405  105.156   25.793   96.698   45.382  229.942   28.744 -133.2432 53.71869 
1 1 1    0    7   27 o  487.902   49.184  560.670   55.196  571.401   58.951  484.397  157.159  535.069   28.232  440.736   94.230 94.33386 98.36864 
1 1 1    0    7   28 o  438.444   22.151  386.181   37.255  379.118   48.269  396.587   58.591  434.764   28.450  442.124   33.959 -7.359772 44.30154 
1 1 1    0    7   29 o  309.150   21.346  194.982   25.476  217.681   35.163  169.901   36.962  329.222   27.369  289.079   32.765 40.14349 42.69202 
1 1 1    0    7   30 o  437.176   28.116  392.939   46.350  416.029   76.767  379.692   58.145  443.879   44.318  430.473   34.613 13.40591 56.23246 
1 1 1    0    7   31 o  240.379   28.378  128.040   24.623  100.059   38.690  147.088   31.923  211.923   47.908  268.835   30.429 -56.91150 56.75505 
1 1 1    0    7   32 o  146.130   27.615   47.125   15.883   43.434   25.480   49.471   20.312  140.817   42.675  151.442   35.062 -10.62474 55.23095 
1 1 1    0    7   33 o  173.939   38.953   79.651   27.997   88.868   29.514  -3.1460   88.457  201.160   39.005  146.717   67.438 54.44286 77.90585 
1 1 1    0    7   34 o  150.742   28.688   51.383   16.876   48.486   28.326   52.976   21.012  146.004   45.137  155.480   35.421 -9.475555 57.37592 
1 1 1    0    7   35 f  265.196   24.410  148.973   25.246  148.093   36.262  149.801   35.169  264.025   35.195  266.367   33.834 -2.342834 48.82017 
1 1 1    0    7   36 o  161.852   30.171   60.817   18.760   57.398   32.424   62.538   23.001  155.625   48.321  168.080   36.142 -12.45526 60.34212 
1 1 1    0    8    0 o  227.925   48.543  104.685   46.733  100.508   65.664  108.972   66.526  224.007   68.636  231.843   68.663 -7.835785 97.08536 
1 1 1    0    8    1 o   47.399   13.930   0.3222   4.0280  -1.1052   4.8867   3.3477   7.1145   38.891   16.994   55.907   22.077 -17.01630 27.86028 
1 1 1    0    8    2 o  357.863   41.822  262.019   56.982  288.335   81.653  237.037   79.558  378.650   55.259  337.075   62.792 41.57492 83.64449 
1 1 1    0    8    3 o  217.352   42.495   99.001   36.189  102.191   44.572   92.829   61.993  221.389   52.404  213.314   66.911 8.075043 84.99015 
1 1 1    0    8    4 o  151.396   37.774   40.972   27.816   43.757   39.403   38.206   39.274  154.354   53.551  148.439   53.290 5.914597 75.54832 
1 1 1    0    8    5 o  668.930   87.792  1045.39  224.074  1168.56  326.878  936.197  307.761  715.222  117.115  622.637  130.820 92.58545 175.5844 
1 1 1    0    8    6 o  174.583   59.136   59.050   47.976   0.0000   0.0000   59.050   47.976  ?   ?   174.583   59.136      ?      ? 
1 1 1    0    8    7 o  434.806   98.968  438.761  164.156   0.0000   0.0000  438.761  164.156  ?   ?   434.806   98.968      ?      ? 
1 1 1    0    8    8 o  464.848  104.170  514.730  184.287   0.0000   0.0000  514.730  184.287  ?   ?   464.848  104.170      ?      ? 
1 1 1    0    8    9 o  318.370   59.737  231.522   75.456  227.222  106.542  235.850  106.880  315.290   84.762  321.450   84.199 -6.160339 119.4740 
1 1 1    0    8   10 f  289.905   56.730  188.882   66.407  180.165   93.596  197.718   94.235  283.206   80.748  296.604   79.707 -13.39783 113.4610 
1 1 1    0    8   11 o  305.789   42.726  186.626   36.040  182.527   38.933  211.168   95.273  303.245   32.900  308.332   78.865 -5.087311 85.45206 
1 1 1    0    8   12 o  215.993   31.339   92.266   26.415   92.266   26.415   0.0000   0.0000  215.993   31.339  ?   ?       ?      ? 
1 1 1    0    8   13 o  890.696   85.365  1762.98  160.510  1750.85  168.639  1879.78  523.285  935.003   46.218  846.388  164.355 88.61444 170.7296 
1 1 1    0    8   14 o  477.528   53.351  448.857   61.482  439.558   65.241  522.652  183.790  471.294   35.473  483.763  100.633 -12.46921 106.7019 
1 1 1    0    8   15 o  458.606   99.073  466.143  172.126   0.0000   0.0000  466.143  172.126  ?   ?   458.606   99.073      ?      ? 
1 1 1    0    8   16 o  797.859   68.534  1281.13  130.616  1260.43  137.999  1459.16  404.733  795.872   44.433  799.845  129.667 -3.973083 137.0690 
1 1 1    0    8   17 o  190.597   34.044   70.281   17.442   70.024   18.387   72.593   55.119  188.852   24.949  192.342   63.353 -3.490631 68.08833 
1 1 1    0    8   18 o  189.175   32.221   95.823   18.713  105.867   19.819   13.265   56.821  232.355   21.857  145.995   60.621 86.36044 64.44101 
1 1 1    0    8   19 o  343.948   24.317  147.622   22.342  122.862   23.496  381.373   72.193  250.127   24.071  437.770   42.259 -187.6427 48.63346 
1 1 1    0    8   20 o  261.957   31.996  150.884   24.076  157.607   26.747  122.184   55.265  283.228   24.200  240.686   59.239 42.54115 63.99173 
1 1 1    0    8   21 o  1001.30   32.141  1964.27  115.174  1902.23  136.883  2114.67  213.124  979.572   35.808  1023.03   53.384 -43.45740 64.28129 
1 1 1    0    8   22 o  165.825   38.926   43.160   16.572   42.404   17.028   56.700   72.055  143.783   31.241  187.868   71.308 -44.08510 77.85102 
1 1 1    0    8   23 o  823.426   30.701  1333.79   87.811  1303.75  102.528  1416.49  170.109  811.241   32.386  835.610   52.167 -24.36853 61.40210 
1 1 1    0    8   24 o  1142.78   62.101  2716.44  276.943   0.0000   0.0000  2716.44  276.943  ?   ?   1142.78   62.101      ?      ? 
1 1 1    0    8   25 o  361.203   43.655  251.229   52.338  224.882   59.695  338.798  108.829  332.197   46.048  390.210   74.180 -58.01230 87.31045 
1 1 1    0    8   26 o  412.185   37.255  321.138   39.083  310.647   41.495  403.587  116.332  395.359   26.895  429.011   69.486 -33.65228 74.50972 
1 1 1    0    8   27 o  152.844   44.273   23.089   17.691   21.544   17.988   68.839   97.885  106.353   36.209  199.334   80.804 -92.98109 88.54591 
1 1 1    0    8   28 o  678.091   36.559  951.077   74.443  931.843   82.266  1038.02  174.904  679.175   31.039  677.005   66.203 2.169922 73.11769 
1 1 1    0    8   29 o  555.075   40.629  660.425   60.729  652.976   65.644  704.661  159.958  568.538   29.587  541.613   75.681 26.92499 81.25874 
1 1 1    0    8   30 o  147.136   46.684   4.0250   20.647   0.7264   21.003   98.950  112.667   83.602   35.880  210.671   86.199 -127.0688 93.36815 
1 1 1    0    8   31 o  378.319   49.473  343.470   44.413  342.619   47.200  350.037  131.173  410.351   29.475  346.286   94.454 64.06442 98.94606 
1 1 1    0    8   32 o  184.789   51.065   42.296   23.524   37.140   23.947  184.651  125.827  131.048   41.646  238.529   93.253 -107.4809 102.1300 
1 1 1    0    8   33 o  571.717   42.532  877.439   74.057  1129.55   93.832  460.979  120.599  735.035   32.712  408.399   78.523 326.6358 85.06406 
1 1 1    0    8   34 o  152.101   49.434   22.457   25.813   20.238   26.188   98.330  153.102  109.486   42.615  194.716   89.213 -85.23013 98.86825 
1 1 1    0    8   35 o  169.121   47.077   67.160   32.213   67.160   32.213   0.0000   0.0000  169.121   47.077  ?   ?       ?      ? 
1 1 1    0    9    1 o  183.778   40.012   67.853   30.368   71.033   52.317   66.237   37.294  188.655   61.701  178.902   50.958 9.753036 80.02322 
1 1 1    0    9    2 o  194.916   36.644   79.474   28.357   80.464   39.879   78.461   40.331  196.097   51.464  193.735   52.179 2.361694 73.28865 
1 1 1    0    9    3 o  152.510   35.124   46.316   23.716   51.957   29.281   35.558   40.437  158.813   45.124  146.206   53.839 12.60727 70.24826 
1 1 1    0    9    4 o  170.289   38.601   57.955   28.199   58.559   34.859   56.812   47.967  168.507   49.649  172.071   59.120 -3.563461 77.20192 
1 1 1    0    9    5 o  231.199   49.774  114.447   48.990  121.715   69.562  107.295   69.006  237.529   70.178  224.869   70.604 12.65990 99.54852 
1 1 1    0    9    6 o  455.646   71.488  488.339  123.947  551.889  179.682  430.646  171.201  487.123   97.918  424.169  104.184 62.95432 142.9761 
1 1 1    0    9    7 o  444.051   71.882  469.650  121.881  478.838  172.992  460.594  171.745  448.877  101.177  439.225  102.132 9.651794 143.7631 
1 1 1    0    9    8 o  241.429   51.201  127.212   52.132  135.709   74.119  118.893   73.339  248.600   72.154  234.257   72.663 14.34328 102.4019 
1 1 1    0    9    9 o  222.361   48.886  105.328   46.920  109.210   66.571  101.496   66.141  225.808   69.095  218.915   69.175 6.892792 97.77185 
1 1 1    0    9   10 o  267.731   54.136  156.943   59.413  155.756   84.082  158.127   83.963  266.768   76.685  268.694   76.435 -1.925598 108.2720 
1 1 1    0    9   11 o  275.214   54.541  164.587   61.034  151.375   85.866  178.079   86.772  264.550   77.915  285.879   76.341 -21.32925 109.0812 
1 1 1    0    9   12 o  828.718   43.368  1370.99  140.252  1370.99  140.252   0.0000   0.0000  828.718   43.368  ?   ?       ?      ? 
1 1 1    0    9   13 o  312.040   42.893  214.941   38.403  222.311   42.226  179.680   92.364  335.579   32.244  288.500   79.495 47.07843 85.78526 
1 1 1    0    9   14 o  311.253   58.425  209.869   72.249  196.562  102.659  222.928  101.700  301.457   84.087  321.048   81.138 -19.59137 116.8501 
1 1 1    0    9   15 o  211.525   67.100   90.564   62.186   0.0000   0.0000   90.564   62.186  ?   ?   211.525   67.100      ?      ? 
1 1 1    0    9   16 o  230.375   35.702   98.221   20.336   95.770   21.409  120.854   65.053  220.866   24.839  239.883   66.945 -19.01732 71.40477 
1 1 1    0    9   17 o  993.747   35.973  1952.53  139.504  1952.53  139.504   0.0000   0.0000  993.747   35.973  ?   ?       ?      ? 
1 1 1    0    9   18 o  186.964   24.896   68.668   18.165   68.668   18.165   0.0000   0.0000  186.964   24.896  ?   ?       ?      ? 
1 1 1    0    9   19 o  823.095   77.192  1544.99  112.908  1552.41  116.993  1444.30  431.013  886.090   33.834  760.100  150.632 125.9902 154.3847 
1 1 1    0    9   20 o  181.824   37.025   48.880   17.379   44.778   18.112   96.560   61.753  147.742   32.313  215.906   66.629 -68.16418 74.05080 
1 1 1    0    9   21 o  559.591   46.562  513.527   51.996  494.325   53.591  821.786  214.723  500.919   27.415  618.264   88.996 -117.3453 93.12324 
1 1 1    0    9   22 o  1660.96   54.740  5607.69  354.809  5607.69  354.809   0.0000   0.0000  1660.96   54.740  ?   ?       ?      ? 
1 1 1    0    9   23 o  168.143   40.306   36.907   17.455   33.961   17.983   84.909   72.591  128.573   34.932  207.713   72.650 -79.13954 80.61185 
1 1 1    0    9   24 o  881.716   39.248  1534.80  128.689  1383.79  156.661  1848.13  225.659  823.635   48.741  939.797   61.530 -116.1626 78.49597 
1 1 1    0    9   25 f  110.840   37.387   0.8265   11.208   0.9404   11.308  -5.5032   84.294   63.373   26.727  158.307   69.834 -94.93401 74.77380 
1 1 1    0    9   26 o  407.707   38.669  299.682   38.765  285.587   40.841  427.839  123.151  378.479   27.652  436.935   72.225 -58.45642 77.33750 
1 1 1    0    9   27 f  247.408   47.334  117.386   26.836  114.350   27.654  166.445  111.152  238.519   29.710  256.296   89.885 -17.77673 94.66736 
1 1 1    0    9   28 o  132.652   44.558  -0.4790   13.805  -1.4611   13.908   64.973  113.542   66.529   28.876  198.775   84.308 -132.2458 89.11596 
1 1 1    0    9   29 o  136.655   38.645   32.927   22.336   39.397   22.875 -99.6002  103.521  136.092   40.253  137.219   65.982 -1.126923 77.29088 
1 1 1    0    9   30 o  143.632   39.881   35.497   22.674   37.729   23.601   8.7442   81.704  133.280   41.200  153.985   68.298 -20.70506 79.76241 
1 1 1    0    9   31 o  455.624   45.520  607.999   59.524  781.754   72.365  244.486  104.669  618.386   29.987  292.861   85.959 325.5244 91.03920 
1 1 1    0    9   32 o  378.383   46.625  390.487   47.718  412.437   52.771  292.061  111.747  447.093   30.246  309.674   88.209 137.4185 93.25059 
1 1 1    0    9   33 o  325.508   43.710  297.396   41.325  320.748   46.129  202.479   93.000  393.447   30.044  257.569   82.095 135.8788 87.42018 
1 1 1    0    9   34 o  287.292   50.553  260.371   41.573  266.081   43.006  178.994  162.365  357.463   30.830  217.120   96.291 140.3429 101.1058 
1 1 1    0    9   35 o  270.944   45.459  227.381   39.841  240.369   42.622  137.479  112.136  337.861   32.327  204.028   84.976 133.8333 90.91732 
1 1 1    0   10    0 o  275.448   54.232  160.192   60.463  164.023   85.152  156.296   85.867  278.552   76.153  272.345   77.235 6.207336 108.4645 
1 1 1    0   10    1 o  110.560   27.415   21.665   14.802   26.855   20.274   15.740   21.660  117.726   38.405  103.394   39.132 14.33201 54.82930 
1 1 1    0   10    2 o  592.943   52.949  752.561  122.515  744.086  172.664  761.155  173.866  589.454   75.062  596.431   74.700 -6.977539 105.8982 
1 1 1    0   10    3 o  211.168   42.824   96.447   36.403  103.023   44.865   83.776   62.281  220.223   52.873  202.112   67.380 18.11127 85.64849 
1 1 1    0   10    4 o  396.550   55.831  348.054   80.124  351.627   98.444  341.044  137.907  410.682   61.426  382.418   93.249 28.26352 111.6627 
1 1 1    0   10    5 o  175.569   38.684   64.289   28.968   69.683   36.036   54.436   48.701  181.876   49.465  169.263   59.490 12.61292 77.36791 
1 1 1    0   10    6 o   90.229   25.308   8.8857   13.317   11.513   18.779   6.2280   18.888   93.472   36.169   86.986   35.408 6.486237 50.61543 
1 1 1    0   10    7 o  695.851  101.860  1292.33  267.338  1447.60  391.105  1156.16  366.262  741.359  140.325  650.342  147.686 91.01721 203.7210 
1 1 1    0   10    8 o  283.582   55.812  178.104   64.042  181.598   90.765  174.640   90.375  286.282   78.770  280.883   79.090 5.399445 111.6246 
1 1 1    0   10    9 o  212.095   46.657   93.182   42.994  108.420   61.446   78.567   60.179  225.985   65.728  198.205   66.236 27.78062 93.31313 
1 1 1    0   10   10 o  357.467   62.247  284.101   86.269  291.468  122.497  276.852  121.516  362.281   87.607  352.654   88.453 9.627289 124.4945 
1 1 1    0   10   11 o  134.522   35.059   29.081   24.372   23.364   34.715   34.637   34.225  128.812   49.350  140.231   49.810 -11.41914 70.11742 
1 1 1    0   10   12 o  430.086   96.160  410.591  157.342  410.591  157.342   0.0000   0.0000  430.086   96.160  ?   ?       ?      ? 
1 1 1    0   10   13 o  486.973   72.413  527.837  133.252  510.171  187.676  545.797  189.226  477.868  103.624  496.078  101.175 -18.21033 144.8252 
1 1 1    0   10   14 o  482.514   53.318  494.650   65.651  497.823   70.751  474.987  176.109  501.823   36.128  463.206  100.329 38.61703 106.6355 
1 1 1    0   10   16 o  595.991   36.506  702.547   84.905  702.547   84.905   0.0000   0.0000  595.991   36.506  ?   ?       ?      ? 
1 1 1    0   10   17 o  124.079   30.990   18.894   19.668   48.309   31.753   0.5833   25.053  155.256   47.755   92.902   39.510 62.35375 61.98096 
1 1 1    0   10   18 o  232.019   38.309  123.766   23.469  128.602   24.817   82.840   72.195  255.818   24.859  208.219   72.473 47.59943 76.61763 
1 1 1    0   10   19 o   78.575   26.838   11.159   9.8820   11.159   9.8820   0.0000   0.0000   78.575   26.838  ?   ?       ?      ? 
1 1 1    0   10   20 o  130.056   33.200   26.207   13.266   26.528   13.718   21.562   52.150  113.947   30.318  146.165   59.074 -32.21836 66.40002 
1 1 1    0   10   21 o  693.257   66.235  1012.79   82.434  1007.05   85.203  1096.93  325.998  713.906   30.583  672.609  128.891 41.29706 132.4701 
1 1 1    0   10   22 o  281.342   52.963  160.430   51.535  150.521   58.200  196.409  110.905  266.484   57.642  296.200   88.869 -29.71591 105.9254 
1 1 1    0   10   23 o  482.330   61.473  525.399   81.687  528.205   89.257  510.931  202.688  511.227   44.740  453.433  114.518 57.79462 122.9469 
1 1 1    0   10   24 o  259.473   48.997  130.867   28.447  129.315   29.275  157.143  120.462  255.064   29.411  263.882   93.477 -8.817978 97.99493 
1 1 1    0   10   25 o  271.106   47.728  206.559   33.896  216.806   34.966   46.662  138.120  330.159   27.138  212.053   91.518 118.1065 95.45681 
1 1 1    0   10   26 o  222.287   50.019   91.316   24.625   90.733   25.022  109.248  138.794  212.593   30.160  231.981   95.382 -19.38734 100.0370 
1 1 1    0   10   27 o  282.452   53.124  218.908   37.339  224.454   38.157   93.652  181.351  333.929   29.281  230.975  102.133 102.9535 106.2471 
1 1 1    0   10   28 o  151.216   48.420  -1.2417   13.918  -3.1222   14.007  145.065  123.552   64.864   28.547  237.568   92.536 -172.7039 96.83949 
1 1 1    0   10   29 o  261.843   46.547  141.509   31.607  136.496   33.169  190.986  104.203  258.522   32.878  265.163   87.096 -6.640137 93.09490 
1 1 1    0   10   30 o  120.714   35.019   23.096   21.072   31.935   21.677 -128.5127   89.780  123.617   39.660  117.811   57.726 5.805733 70.03717 
1 1 1    0   10   31 o  249.381   39.099  212.205   39.634  248.448   42.408 -37.9876  111.424  347.079   31.310  151.682   71.656 195.3971 78.19790 
1 1 1    0   10   32 o  160.200   40.391   58.988   26.066   63.043   27.314   17.631   87.232  167.242   41.930  153.159   69.049 14.08308 80.78271 
1 1 1    0   10   33 o  170.494   48.298   51.430   26.533   49.267   27.103  101.257  130.078  147.199   43.880  193.790   86.054 -46.59048 96.59534 
1 1 1    0   10   34 o  175.517   41.590   80.324   29.834   86.795   31.185   10.467  102.461  195.882   42.053  155.152   71.767 40.72905 83.18000 
1 1 1    0   10   35 o  183.305   44.045   78.027   31.114   78.027   31.114   0.0000   0.0000  183.305   44.045  ?   ?       ?      ? 
1 1 1    0   11    1 o  322.547   43.091  222.529   52.243  229.799   73.785  215.220   73.981  328.460   59.766  316.633   62.092 11.82715 86.18240 
1 1 1    0   11    2 o  407.820   43.709  346.424   69.397  315.553   96.376  379.667  100.010  388.197   63.619  427.444   59.956 -39.24695 87.41891 
1 1 1    0   11    3 o  221.333   43.568  107.778   38.541  118.352   47.586   87.614   65.711  236.189   52.938  206.478   69.212 29.71085 87.13688 
1 1 1    0   11    4 o  251.152   46.116  134.341   43.764  129.830   53.567  143.396   75.894  246.640   56.824  255.665   72.649 -9.024200 92.23245 
1 1 1    0   11    5 o  202.079   40.576   88.012   33.167   96.546   41.340   72.594   55.566  213.974   50.347  190.184   63.646 23.79047 81.15242 
1 1 1    0   11    6 o  116.035   29.632   22.980   17.034   25.655   21.697   18.685   27.499  117.252   39.769  114.817   43.938 2.435150 59.26332 
1 1 1    0   11    7 o  242.376   50.954  125.523   51.812  134.895   73.665  116.348   72.888  250.349   71.723  234.403   72.395 15.94604 101.9077 
1 1 1    0   11    8 o  321.843   58.340  227.680   73.851  255.775  105.990  201.169  102.959  341.505   80.793  302.181   84.182 39.32419 116.6796 
1 1 1    0   11    9 o  609.847   84.287  866.638  193.290  942.998  279.377  796.526  267.704  638.503  116.413  581.191  121.924 57.31189 168.5745 
1 1 1    0   11   10 o  280.612   54.919  169.531   62.229  161.338   87.676  177.848   88.339  274.064   78.157  287.160   77.175 -13.09589 109.8378 
1 1 1    0   11   11 o  392.128   64.482  337.967   96.847  357.445  138.271  319.209  135.691  403.883   90.027  380.374   92.341 23.50937 128.9646 
1 1 1    0   11   12 o  274.452   54.139  160.320   60.438  140.749   84.853  180.473   86.105  258.486   77.773  290.418   75.334 -31.93170 108.2771 
1 1 1    0   11   13 o  131.518   50.320   24.252   36.063   24.252   36.063   0.0000   0.0000  131.518   50.320  ?   ?       ?      ? 
1 1 1    0   11   14 o  281.302   39.000  156.750   42.812  156.750   42.812   0.0000   0.0000  281.302   39.000  ?   ?       ?      ? 
1 1 1    0   11   15 o  349.190   44.342  252.484   46.814  252.976   52.278  250.493  105.183  357.499   37.472  340.882   80.378 16.61728 88.68346 
1 1 1    0   11   16 o  403.956   46.237  330.516   53.195  326.474   58.407  350.179  128.821  406.062   36.859  401.850   84.811 4.211975 92.47464 
1 1 1    0   11   17 o  1040.33  103.336  2672.20  232.220  2700.26  246.265  2447.02  697.608  1156.77   54.554  923.891  199.341 232.8774 206.6714 
1 1 1    0   11   18 o  636.540   41.293  806.890  102.574  806.890  102.574   0.0000   0.0000  636.540   41.293  ?   ?       ?      ? 
1 1 1    0   11   19 o  119.252   30.405   25.432   13.180   28.163   13.722  -7.1437   47.387  117.255   29.896  121.250   52.954 -3.995392 60.81064 
1 1 1    0   11   20 o  120.768   32.693   13.132   11.078   11.426   11.384   43.519   48.046   81.416   28.748  160.119   58.728 -78.70276 65.38667 
1 1 1    0   11   22 o  280.471   46.949  158.699   30.572  157.397   31.825  174.256  110.020  282.015   28.918  278.927   89.333 3.088531 93.89742 
1 1 1    0   11   23 o  550.912   64.425  698.825   65.578  699.880   68.013  684.878  247.301  593.677   29.357  508.148  125.462 85.52911 128.8508 
1 1 1    0   11   24 o  372.671   55.161  319.143   41.583  319.887   43.092  309.070  158.502  401.158   27.526  344.183  106.833 56.97482 110.3219 
1 1 1    0   11   25 o  225.682   50.148   69.842   21.108   66.631   21.409  181.603  126.319  182.346   30.086  269.018   95.677 -86.67259 100.2961 
1 1 1    0   11   26 o  363.138   60.817  375.916   57.842  386.700   60.422  257.693  200.058  435.612   35.544  290.665  116.325 144.9468 121.6345 
1 1 1    0   11   27 o  263.182   55.174  161.061   36.752  161.576   37.553  149.379  178.879  281.373   34.200  244.991  104.915 36.38200 110.3489 
1 1 1    0   11   28 o  192.391   54.465   50.058   22.079   48.845   22.254  126.191  176.351  150.929   37.851  233.853  102.143 -82.92400 108.9305 
1 1 1    0   11   29 o  200.373   53.044   73.028   24.776   73.287   24.965   56.102  201.800  185.755   35.737  214.992   99.889 -29.23708 106.0888 
1 1 1    0   11   30 o  787.925   34.334  1287.79  105.570  1287.79  105.570   0.0000   0.0000  787.925   34.334  ?   ?       ?      ? 
1 1 1    0   11   31 o  123.217   44.054  -1.4542   16.993  -1.4374   17.106  -2.7132  148.096   72.943   31.837  173.492   82.155 -100.5487 88.10818 
1 1 1    0   11   32 o  188.077   44.428   87.999   27.961   90.920   28.569   21.607  136.187  203.992   37.261  172.162   80.666 31.82968 88.85582 
1 1 1    0   11   33 o  166.576   48.891   45.442   25.167   43.713   25.561  100.204  143.876  139.367   42.844  193.785   87.897 -54.41858 97.78289 
1 1 1    0   11   34 o  166.728   46.424   57.620   26.516   58.506   26.928   29.317  152.133  159.702   42.471  173.753   82.564 -14.05087 92.84747 
1 1 1    0   12    0 o  278.369   54.380  162.776   61.049  154.314   84.941  171.817   87.802  271.304   76.775  285.434   77.036 -14.12918 108.7610 
1 1 1    0   12    1 o  114.586   29.174   22.420   16.654   25.107   22.156   18.929   25.253  116.900   40.179  112.271   42.310 4.629486 58.34759 
1 1 1    0   12    2 o  497.886   47.442  515.617   92.111  489.727  128.575  542.915  132.024  484.638   67.984  511.133   66.189 -26.49490 94.88310 
1 1 1    0   12    3 o  429.970   58.291  411.041   90.082  431.535  111.265  372.048  153.473  457.629   62.303  402.311   98.537 55.31778 116.5812 
1 1 1    0   12    4 o  119.628   30.848   23.273   18.026   22.065   22.285   25.560   30.660  112.879   40.182  126.377   46.816 -13.49760 61.69567 
1 1 1    0   12    5 o  792.676   88.445  1488.24  247.655  1499.81  304.190  1465.51  426.506  829.266   93.998  756.086  149.848 73.18079 176.8898 
1 1 1    0   12    6 f  558.189   67.347  713.354  133.410  787.396  167.683  585.648  220.219  616.591   69.688  499.786  115.265 116.8053 134.6938 
1 1 1    0   12    7 o  1222.16  166.005  4923.48  729.000  5358.08  921.636  4197.11  1191.49  1440.46  163.956  1003.85  288.703 436.6114 332.0100 
1 1 1    0   12    8 o  127.465   33.404   24.959   22.339   33.650   31.590   16.266   31.594  136.906   47.923  118.024   46.549 18.88195 66.80901 
1 1 1    0   12    9 o  225.338   69.270  105.084   66.820  105.084   66.820   0.0000   0.0000  225.338   69.270  ?   ?       ?      ? 
1 1 1    0   12   10 o  111.782   43.192   16.389   26.751   16.389   26.751   0.0000   0.0000  111.782   43.192  ?   ?       ?      ? 
1 1 1    0   12   11 o  162.500   57.250   47.466   45.125   47.466   45.125   0.0000   0.0000  162.500   57.250  ?   ?       ?      ? 
1 1 1    0   12   12 o  108.928   30.384   13.547   18.957   13.267   28.383   13.773   25.471  110.768   43.983  107.087   41.931 3.681015 60.76764 
1 1 1    0   12   13 o  760.323   99.430  1372.46  284.143  1353.48  400.605  1391.68  403.083  754.275  141.291  766.371  139.936 -12.09540 198.8600 
1 1 1    0   12   14 o   94.499   28.005   4.3075   15.911   2.3383   30.238   5.0614   18.711  103.312   43.646   85.686   35.101 17.62546 56.00942 
1 1 1    0   12   15 o  123.109   33.439   20.645   22.585   23.937   32.604   17.608   31.316  127.154   48.038  119.063   46.529 8.090714 66.87756 
1 1 1    0   12   16 o  743.591   72.455  1277.65  131.434  1303.52  141.637  1117.22  352.679  807.979   44.920  679.204  137.772 128.7747 144.9099 
1 1 1    0   12   17 o  485.840   41.477  470.161   78.637  470.161   78.637   0.0000   0.0000  485.840   41.477  ?   ?       ?      ? 
1 1 1    0   12   18 f  186.889   46.474   63.082   41.456   52.438   53.551   79.002   65.490  172.239   62.179  201.540   69.088 -29.30133 92.94849 
1 1 1    0   12   19 f  321.707   51.256  228.354   61.579  248.694   76.033  189.574  104.985  349.878   55.687  293.536   86.069 56.34174 102.5128 
1 1 1    0   12   20 o  142.581   42.376   9.7845   38.927   17.060   63.254   5.3494   49.387  153.815   63.922  131.348   55.650 22.46698 84.75246 
1 1 1    0   12   21 o  283.231   47.145  184.839   33.693  189.414   35.380  140.272  110.421  309.367   29.306  257.095   89.621 52.27237 94.29038 
1 1 1    0   12   22 o  709.003   31.696  1000.36   87.697  1000.36   87.697   0.0000   0.0000  709.003   31.696  ?   ?       ?      ? 
1 1 1    0   12   23 o  125.908   38.331   16.993   13.732   17.928   13.901 -20.6414   88.197   96.623   31.815  155.192   69.747 -58.56931 76.66109 
1 1 1    0   12   24 o  141.779   44.102  -0.2699   9.4777  -1.2895   9.5197  114.500  101.000   55.093   23.901  228.464   84.905 -173.3705 88.20475 
1 1 1    0   12   25 o  542.428   74.698  795.535   93.358  798.639   98.733  769.333  286.861  622.650   40.634  462.206  143.764 160.4448 149.3959 
1 1 1    0   12   26 o  286.988   52.989  231.986   37.687  238.085   38.520   95.444  182.263  343.943   28.699  230.034  102.019 113.9089 105.9790 
1 1 1    0   12   27 f  142.463   49.861   6.4930   13.189   6.2335   13.230   48.365  168.037   75.034   29.954  209.891   95.118 -134.8569 99.72285 
1 1 1    0   12   28 o  237.411   64.960   47.593   22.232   43.531   22.352  424.720  215.370  142.252   39.069  332.569  123.906 -190.3172 129.9197 
1 1 1    0   12   29 o  194.276   37.665   81.055   27.525   81.055   27.525   0.0000   0.0000  194.276   37.665  ?   ?       ?      ? 
1 1 1    0   12   30 o  377.218   62.295  492.536   55.871  496.189   56.969  400.464  286.009  491.534   29.700  262.902  120.998 228.6326 124.5895 
1 1 1    0   12   31 o  218.994   53.071  105.598   28.065  104.687   28.293  161.374  221.319  223.926   32.378  214.061  101.083 9.864838 106.1416 
1 1 1    0   12   32 o  242.542   51.219  166.882   35.305  168.394   35.729  104.350  229.837  283.665   32.276  201.418   97.220 82.24673 102.4373 
1 1 1    0   12   33 o  122.402   43.145   4.5504   19.201   5.6041   19.327 -75.3093  168.252   84.113   35.176  160.691   78.795 -76.57797 86.29070 
1 1 1    0   12   34 o  206.918   57.318  144.230   68.520  155.934   74.682   81.952  172.269  228.928   73.631  184.907   87.863 44.02164 114.6357 
1 1 1    0   13    1 o  147.032   45.980   43.070   29.299   43.070   29.299   0.0000   0.0000  147.032   45.980  ?   ?       ?      ? 
1 1 1    0   13    2 o  784.307   88.146  1314.69  269.788  1314.69  269.788   0.0000   0.0000  784.307   88.146  ?   ?       ?      ? 
1 1 1    0   13    3 o  314.995   59.868  207.828   70.902  207.828   70.902   0.0000   0.0000  314.995   59.868  ?   ?       ?      ? 
1 1 1    0   13    4 o  667.740   77.906  932.048  203.007  932.048  203.007   0.0000   0.0000  667.740   77.906  ?   ?       ?      ? 
1 1 1    0   13    5 o  276.736   58.480  160.601   61.177  160.601   61.177   0.0000   0.0000  276.736   58.480  ?   ?       ?      ? 
1 1 1    0   13    6 o  479.205   60.369  496.353  103.592  508.726  127.828  472.677  176.819  498.851   65.663  459.559  101.321 39.29202 120.7379 
1 1 1    0   13    7 o  124.738   33.026   22.910   21.962   31.636   30.968   14.081   31.151  134.101   47.407  115.375   45.993 18.72663 66.05190 
1 1 1    0   13    8 o  286.852   48.412  177.896   52.290  189.912   65.641  157.029   86.503  302.202   57.766  271.502   77.703 30.69916 96.82343 
1 1 1    0   13    9 o  420.955   94.636  389.364  151.683  389.364  151.683   0.0000   0.0000  420.955   94.636  ?   ?       ?      ? 
1 1 1    0   13   10 o  290.366   55.996  180.582   65.200  185.517   92.875  175.786   91.552  294.125   79.167  286.608   79.215 7.517365 111.9926 
1 1 1    0   13   11 o  191.322   63.961   71.017   56.116   71.017   56.116   0.0000   0.0000  191.322   63.961  ?   ?       ?      ? 
1 1 1    0   13   12 o  236.112   50.947  115.751   51.356  106.321   73.222  124.881   72.049  228.313   72.853  243.911   71.239 -15.59793 101.8948 
1 1 1    0   13   13 o  117.373   32.713   16.081   21.732   16.269   34.266   15.954   28.109  121.607   48.313  113.138   44.119 8.469505 65.42674 
1 1 1    0   13   14 o  1055.00  228.397  3451.60  913.063   0.0000   0.0000  3451.60  913.063  ?   ?   1055.00  228.397      ?      ? 
1 1 1    0   13   15 o  800.104  108.056  1605.83  324.903  1710.23  469.342  1509.76  450.219  827.952  150.819  772.257  154.784 55.69513 216.1121 
1 1 1    0   13   16 o  310.958   62.423  214.676   80.412  172.116  118.484  251.017  109.487  283.592   92.859  338.324   83.447 -54.73233 124.8451 
1 1 1    0   13   17 o  1288.80  149.488  4834.73  419.704  4856.04  446.681  4674.19  1226.29  1524.05   75.105  1053.56  289.390 470.4877 298.9770 
1 1 1    0   13   18 o  788.328   78.234  1552.29  168.275  1649.57  188.166  1163.75  376.045  902.421   53.432  674.236  147.061 228.1846 156.4671 
1 1 1    0   13   19 o  574.109   59.483  712.581   97.752  711.797  108.195  716.066  228.058  594.648   46.624  553.571  109.449 41.07684 118.9656 
1 1 1    0   13   20 o  1009.71  107.785  2747.77  250.469  2787.19  269.049  2491.65  685.884  1161.77   59.345  857.652  207.241 304.1145 215.5706 
1 1 1    0   13   21 f  215.146   42.709   91.193   23.690   91.353   24.551   89.040   90.216  214.579   29.319  215.712   80.228 -1.132080 85.41779 
1 1 1    0   13   22 o  259.891   47.352  129.568   28.998  126.786   30.057  166.975  110.232  252.185   30.541  267.597   89.644 -15.41252 94.70361 
1 1 1    0   13   24 o  177.032   44.457   60.785   22.732   63.155   23.133  -5.7551  122.573  173.525   35.362  180.540   81.579 -7.014832 88.91341 
1 1 1    0   13   25 o  768.659   33.406  1200.93  100.204  1200.93  100.204   0.0000   0.0000  768.659   33.406  ?   ?       ?      ? 
1 1 1    0   13   26 o  351.653   58.065  374.342   47.111  383.423   48.469  219.027  200.451  436.195   28.474  267.111  112.584 169.0836 116.1290 
1 1 1    0   13   27 o  260.655   31.552  138.250   32.094  138.250   32.094   0.0000   0.0000  260.655   31.552  ?   ?       ?      ? 
1 1 1    0   13   28 o  619.261   31.402  783.752   75.887  783.752   75.887   0.0000   0.0000  619.261   31.402  ?   ?       ?      ? 
1 1 1    0   13   29 o  141.596   37.950   43.778   21.396   43.778   21.396   0.0000   0.0000  141.596   37.950  ?   ?       ?      ? 
1 1 1    0   13   30 o  214.012   52.107  102.841   28.192  102.890   28.404   99.649  231.055  222.041   32.780  205.983   98.924 16.05765 104.2139 
1 1 1    0   13   31 o  527.379   75.985  1151.23   94.104  1141.50   96.219  1365.23  451.332  736.922   33.459  317.836  148.241 419.0858 151.9697 
1 1 1    0   13   32 o  143.356   43.647   35.664   21.575   38.661   21.682 -267.6649  218.102  131.972   39.225  154.740   77.984 -22.76802 87.29304 
1 1 1    0   13   33 o  186.019   57.277   89.340   66.435   86.201   72.081  107.053  171.236  179.372   70.448  192.666   90.330 -13.29465 114.5533 
1 1 1    0   14    0 o  666.727   81.651  941.074  208.249  952.883  294.622  929.283  294.396  676.292  111.635  657.163  119.185 19.12860 163.3017 
1 1 1    0   14    1 o  108.545   28.138   15.685   14.505   10.190   17.178   29.338   27.078   89.397   34.592  127.693   44.388 -38.29585 56.27545 
1 1 1    0   14    2 o  1146.85   89.266  3002.71  399.311  2884.61  556.266  3128.26  573.551  1122.63  126.974  1171.07  125.504 -48.43958 178.5319 
1 1 1    0   14    3 o  256.292   47.654  139.428   46.447  142.576   56.539  132.893   81.458  261.080   57.085  251.505   76.321 9.575287 95.30766 
1 1 1    0   14    4 o  412.840   56.709  374.608   84.389  406.197  104.789  316.318  142.348  447.923   59.949  377.756   96.279 70.16705 113.4175 
1 1 1    0   14    5 o  230.541   44.701  109.666   39.966  106.514   49.273  115.727   68.328  225.691   56.169  235.392   69.554 -9.701401 89.40222 
1 1 1    0   14    6 o  196.074   42.459   78.668   34.927   83.173   43.619   70.617   58.309  200.158   54.413  191.990   65.194 8.168869 84.91777 
1 1 1    0   14    7 o  355.896   52.599  273.490   69.256  295.274   86.960  235.710  114.520  382.571   58.247  329.221   87.601 53.34970 105.1982 
1 1 1    0   14    8 o  577.995   57.311  612.471  119.327  494.229  139.684  931.799  229.551  490.408   72.989  665.581   88.378 -175.1726 114.6214 
1 1 1    0   14    9 o  459.969   70.011  466.976  121.966  445.087  171.311  489.476  173.687  448.050  100.459  471.889   97.542 -23.83936 140.0224 
1 1 1    0   14   10 o  840.241  110.270  1739.56  348.256  1729.41  491.918  1749.76  493.100  837.338  156.291  843.145  155.598 -5.807129 220.5394 
1 1 1    0   14   11 o  361.033   89.002  285.463  124.596  285.463  124.596   0.0000   0.0000  361.033   89.002  ?   ?       ?      ? 
1 1 1    0   14   12 o  404.523   66.251  361.876  102.589  342.049  144.543  382.002  145.629  392.419   95.331  416.627   92.027 -24.20776 132.5025 
1 1 1    0   14   13 f  275.569   46.117  147.980   55.594   45.690   74.772  274.431   83.135  183.125   71.805  368.012   57.888 -184.8867 92.23356 
1 1 1    0   14   14 o  330.990   85.702  240.842  111.569   0.0000   0.0000  240.842  111.569  ?   ?   330.990   85.702      ?      ? 
1 1 1    0   14   15 o  419.385   96.968  395.440  155.530   0.0000   0.0000  395.440  155.530  ?   ?   419.385   96.968      ?      ? 
1 1 1    0   14   16 o  192.951   49.974   65.897   49.342   45.185   78.547   79.398   63.417  185.005   73.260  200.898   67.990 -15.89201 99.94835 
1 1 1    0   14   17 o  511.324   60.601  549.557   94.318  537.126  105.572  598.713  209.935  515.118   52.518  507.530  109.232 7.588287 121.2015 
1 1 1    0   14   18 o  228.471   50.928  107.980   51.926  141.266   74.169   75.981   72.721  255.459   71.550  201.483   72.494 53.97606 101.8566 
1 1 1    0   14   19 o  1050.60  112.834  3067.15  278.526  3123.85  300.850  2727.03  736.800  1225.16   62.925  876.039  216.717 349.1218 225.6674 
1 1 1    0   14   20 o  429.107   59.419  435.884   88.429  469.692  106.195  359.423  159.703  475.516   57.228  382.698  104.152 92.81787 118.8387 
1 1 1    0   14   21 o  403.702   85.620  469.628  156.163  306.168  247.242  578.122  201.428  332.940  130.565  474.464  110.797 -141.5241 171.2403 
1 1 1    0   14   22 o  208.707   44.322   87.686   25.632   88.378   26.517   77.841   99.999  209.814   32.387  207.599   82.517 2.214981 88.64467 
1 1 1    0   14   23 o   85.020   34.533  -8.6818   4.2825  -8.5692   4.2866 -67.6158   98.088   25.644   12.575  144.396   67.912 -118.7518 69.06628 
1 1 1    0   14   24 o  479.549   66.541  569.727   62.025  565.657   64.308  624.005  234.850  529.043   31.149  430.055  129.386 98.98834 133.0829 
1 1 1    0   14   25 o  286.304   51.787  232.717   38.670  239.962   39.771  107.255  165.496  344.696   29.566  227.913   99.265 116.7830 103.5741 
1 1 1    0   14   26 o  159.077   36.615   54.060   22.259   54.060   22.259   0.0000   0.0000  159.077   36.615  ?   ?       ?      ? 
1 1 1    0   14   27 o  236.617   53.901  127.639   30.275  128.552   30.580   82.565  214.850  251.024   31.217  222.210  103.184 28.81421 107.8030 
1 1 1    0   14   28 o  287.051   58.122  217.963   36.931  217.348   37.392  242.417  235.843  326.223   29.372  247.879  112.473 78.34406 116.2446 
1 1 1    0   14   29 o  338.018   59.606  361.032   47.172  361.474   48.091  349.788  242.552  419.180   29.399  256.857  115.530 162.3228 119.2120 
1 1 1    0   14   30 o  194.172   47.315   87.793   26.898   89.518   27.149  -4.0372  198.110  206.332   33.718  182.012   88.420 24.31944 94.63073 
1 1 1    0   14   31 f  211.467   48.534  114.002   29.754  115.647   30.056   33.322  210.465  234.742   32.810  188.191   91.356 46.55106 97.06863 
1 1 1    0   14   32 o  171.407   55.515   42.226   63.031   28.460   68.336  120.703  163.164  145.417   63.548  197.398   91.046 -51.98064 111.0300 
1 1 1    0   15    1 o  335.648   42.091  228.027   53.703  198.939   71.666  265.279   81.102  308.494   61.686  362.803   57.283 -54.30908 84.18129 
1 1 1    0   15    2 o  639.524   54.045  842.137  134.633  777.370  185.311  914.542  195.934  613.081   77.455  665.967   75.392 -52.88580 108.0892 
1 1 1    0   15    3 o  275.484   47.992  144.754   47.901  118.638   56.763  209.356   89.277  237.760   60.907  313.207   74.185 -75.44679 95.98461 
1 1 1    0   15    4 o  848.695  106.811  1732.28  346.182  1617.44  478.791  1858.08  501.122  809.938  157.151  887.451  144.700 -77.51233 213.6224 
1 1 1    0   15    5 o  379.509   63.900  314.690   93.304  326.469  132.077  302.956  131.827  387.082   89.261  371.936   91.462 15.14572 127.7999 
1 1 1    0   15    6 o   94.088   25.264   0.0069   13.711 -15.2713   16.805   30.429   23.714   61.798   28.750  126.379   41.551 -64.58104 50.52752 
1 1 1    0   15    7 o  670.138   83.614  995.192  211.800  806.575  283.061  1235.13  319.255  588.610  126.962  751.666  108.838 -163.0555 167.2275 
1 1 1    0   15    8 o  139.085   35.523   25.199   26.586  -1.6039   36.177   56.673   39.203  109.439   47.033  168.730   53.250 -59.29097 71.04697 
1 1 1    0   15    9 o  362.500   61.761  284.561   95.766  124.488  135.974  442.119  134.901  262.586   98.330  462.415   74.757 -199.8297 123.5211 
1 1 1    0   15   10 o  617.399  119.891  879.271  278.444   0.0000   0.0000  879.271  278.444  ?   ?   617.399  119.891      ?      ? 
1 1 1    0   15   12 o  534.705   77.393  650.918  156.055  565.099  215.850  744.901  225.883  493.463  114.330  575.948  104.342 -82.48547 154.7859 
1 1 1    0   15   13 o  456.073   72.168  471.419  125.227  463.559  178.745  478.995  175.494  451.290  103.676  460.857  100.419 -9.567200 144.3354 
1 1 1    0   15   14 o  796.685  156.040  1635.51  467.768   0.0000   0.0000  1635.51  467.768  ?   ?   796.685  156.040      ?      ? 
1 1 1    0   15   15 o  431.822   72.034  427.724  119.718  384.168  170.758  469.831  167.892  407.024  106.335  456.620   97.202 -49.59604 144.0676 
1 1 1    0   15   16 o  200.304   50.944   68.353   48.647  100.191   84.163   52.380   59.614  224.739   78.248  175.869   65.255 48.86972 101.8872 
1 1 1    0   15   17 o  336.034   67.936  262.232   94.883  213.965  140.429  302.778  128.707  307.106  101.120  364.962   90.752 -57.85583 135.8720 
1 1 1    0   15   18 o  591.194   62.632  800.558  120.183  827.248  140.760  728.760  230.865  633.437   56.943  548.950  111.572 84.48706 125.2632 
1 1 1    0   15   19 o  317.265   73.439  242.229  102.412  254.770  170.034  235.089  128.294  320.770  111.246  313.760   95.905 7.009552 146.8788 
1 1 1    0   15   20 o  237.504   65.073   73.306   74.367  223.442  159.685   31.725   84.037  299.081  107.445  175.926   73.442 123.1550 130.1468 
1 1 1    0   15   21 o  775.849   89.305  1688.72  179.290  1719.71  196.744  1536.95  435.396  900.221   56.004  651.477  169.602 248.7434 178.6098 
1 1 1    0   15   22 o  165.419   51.457   7.8540   64.321   5.2438   91.097   10.449   90.832  164.398   72.555  166.440   72.986 -2.042038 102.9133 
1 1 1    0   15   23 o  205.647   60.391   50.003   79.640 -14.2687   99.901  162.062  131.912  161.122   73.144  250.172   96.115 -89.04994 120.7815 
1 1 1    0   15   24 o  313.566   29.430  198.493   36.013  198.493   36.013   0.0000   0.0000  313.566   29.430  ?   ?       ?      ? 
1 1 1    0   15   25 o  389.262   30.309  307.103   46.041  307.103   46.041   0.0000   0.0000  389.262   30.309  ?   ?       ?      ? 
1 1 1    0   15   26 o  233.135   51.878  125.555   30.229  126.818   30.642   79.693  184.672  249.308   31.496  216.962   98.860 32.34627 103.7562 
1 1 1    0   15   27 o  265.387   48.470  227.115   39.373  237.244   40.074 -54.9874  211.488  340.629   30.147  190.144   92.134 150.4849 96.94080 
1 1 1    0   15   28 o  206.688   47.551  105.912   28.231  108.591   28.509 -29.3936  202.588  228.858   31.922  184.518   89.586 44.34000 95.10299 
1 1 1    0   15   29 o  170.175   45.930   61.165   23.859   63.308   24.041 -78.6152  194.143  169.561   37.342  170.788   83.927 -1.227493 91.85933 
1 1 1    0   15   30 o  127.672   45.423   7.9800   16.033   8.3529   16.091 -44.0017  189.976   82.186   32.955  173.157   84.659 -90.97044 90.84666 
1 1 1    0   15   31 o  222.607   52.143  167.227   63.156  197.908   67.937 -28.0149  171.380  276.175   64.247  169.039   82.146 107.1356 104.2860 
1 1 1    0   15   32 o  171.579   41.050   79.461   27.857   86.160   28.307 -126.2916  156.884  196.637   38.266  146.521   72.636 50.11568 82.09940 
1 1 1    0   16    0 o  632.120   79.336  840.300  191.644  872.885  271.776  808.073  270.280  650.156  107.118  614.084  117.059 36.07159 158.6729 
1 1 1    0   16    1 o  297.465   44.021  184.374   49.183  175.060   65.569  196.358   74.371  289.337   60.038  305.594   64.395 -16.25690 88.04109 
1 1 1    0   16    2 o  607.782   52.432  758.374  124.072  693.232  170.154  832.334  181.304  579.539   75.236  636.024   73.047 -56.48529 104.8635 
1 1 1    0   16    3 o  275.555   50.215  165.068   52.718  176.466   64.329  141.758   91.992  290.829   58.704  260.282   81.487 30.54681 100.4304 
1 1 1    0   16    4 o  427.273   56.802  377.597   86.832  362.026  105.103  411.076  154.114  421.910   63.835  432.636   93.972 -10.72562 113.6031 
1 1 1    0   16    5 o  236.871   46.701  115.876   42.947  112.757   52.394  122.263   74.976  231.883   58.038  241.858   73.183 -9.974228 93.40294 
1 1 1    0   16    6 o  341.355   54.106  248.195   67.580  245.280   83.343  253.790  115.478  341.905   64.837  340.806   86.639 1.098022 108.2130 
1 1 1    0   16    7 o  494.178   55.180  467.878  100.008  397.298  119.269  635.011  183.536  439.676   69.513  548.681   85.717 -109.0045 110.3607 
1 1 1    0   16    8 o  415.897   47.921  261.257   66.627  146.275   75.570  662.640  141.193  261.889   71.800  569.904   63.486 -308.0147 95.84197 
1 1 1    0   16    9 o  503.976   51.823  384.529   85.193  244.167   95.512  930.864  188.436  337.159   74.571  670.793   71.985 -333.6343 103.6469 
1 1 1    0   16   10 o  716.125   81.682  1211.69  207.740  1349.20  264.222  989.097  336.184  797.928   84.854  634.323  139.597 163.6043 163.3633 
1 1 1    0   16   11 o  848.953  108.116  1773.51  346.223  1409.44  455.427  2272.01  532.919  730.680  163.773  967.225  141.189 -236.5458 216.2310 
1 1 1    0   16   12 o  341.860   50.183  221.487   74.420   37.447   96.624  489.873  116.683  194.020   79.657  489.700   61.058 -295.6796 100.3659 
1 1 1    0   16   13 o  249.033   55.693  131.467   60.635  120.304   91.445  140.226   81.004  242.266   81.646  255.799   75.769 -13.53329 111.3869 
1 1 1    0   16   14 o  306.977   60.805  209.162   80.436  118.379  116.212  292.648  111.444  248.459   91.305  365.494   80.326 -117.0348 121.6095 
1 1 1    0   16   15 o  848.037  183.385  2110.84  589.223  2110.84  589.223   0.0000   0.0000  848.037  183.385  ?   ?       ?      ? 
1 1 1    0   16   16 o  348.447   68.606  286.514  101.929  178.734  148.997  381.328  139.747  287.037  103.702  409.857   89.851 -122.8199 137.2121 
1 1 1    0   16   17 o  514.647   86.291  675.923  170.362  677.095  250.408  674.914  232.448  510.284  126.404  519.010  117.502 -8.726563 172.5820 
1 1 1    0   16   18 o  529.925   67.732  643.566  124.438  619.211  147.983  702.364  229.931  535.410   70.826  524.439  115.474 10.97089 135.4643 
1 1 1    0   16   19 o  170.110   51.340   18.022   58.058   37.334   96.608   7.1042   72.638  186.649   78.387  153.572   66.323 33.07764 102.6806 
1 1 1    0   16   20 o  262.652   61.963  168.643   77.152  208.600  102.600  116.646  117.041  292.242   84.913  233.062   90.263 59.17923 123.9265 
1 1 1    0   16   21 o  524.595   71.599  757.546  117.651  793.045  134.346  640.758  243.681  605.887   56.820  443.303  131.441 162.5842 143.1971 
1 1 1    0   16   22 o  371.356   80.364  340.494  113.082  340.494  113.082   0.0000   0.0000  371.356   80.364  ?   ?       ?      ? 
1 1 1    0   16   23 o  408.364   75.507  404.832  115.896  404.832  115.896   0.0000   0.0000  408.364   75.507  ?   ?       ?      ? 
1 1 1    0   16   24 o  179.885   55.898   33.146   74.503   51.607   91.283  -3.6882  128.941  181.081   76.130  178.688   81.870 2.393127 111.7968 
1 1 1    0   16   25 o  162.709   48.853   34.844   18.278   34.987   18.393   23.559  163.320  128.175   35.536  197.243   91.015 -69.06819 97.70634 
1 1 1    0   16   26 o  224.926   50.253  123.495   30.615  125.706   31.011   38.476  192.322  247.243   32.141  202.610   95.228 44.63293 100.5053 
1 1 1    0   16   28 o  541.531   78.552  1175.58   96.637  1165.39   99.104  1372.79  435.802  744.394   34.116  338.667  153.355 405.7268 157.1039 
1 1 1    0   16   29 o  201.582   57.919  120.304   67.770  132.720   71.380   6.8031  215.819  217.516   72.116  185.648   90.652 31.86824 115.8382 
1 1 1    0   16   30 o  158.582   52.806   10.046   53.090  -1.0462   56.228  101.170  161.163  122.957   55.434  194.207   89.893 -71.25037 105.6115 
1 1 1    0   16   31 o  172.898   40.633   78.826   25.421   83.872   25.827 -77.8214  143.901  196.029   35.048  149.767   73.320 46.26180 81.26580 
1 1 1    0   17    1 o  454.618   47.746  255.928   63.866  170.097   68.665  806.423  173.896  283.765   63.584  625.471   71.245 -341.7063 95.49167 
1 1 1    0   17    2 o  456.268   46.544  424.366   82.677  404.713  112.315  447.610  122.149  445.150   64.655  467.387   66.970 -22.23718 93.08735 
1 1 1    0   17    3 o  561.719   68.127  695.292  135.447  711.231  165.923  663.454  234.503  586.626   72.479  536.812  115.376 49.81317 136.2534 
1 1 1    0   17    4 o  356.014   56.253  280.369   73.744  302.000   89.853  235.733  129.073  385.656   59.704  326.373   95.358 59.28311 112.5067 
1 1 1    0   17    5 o  140.342   39.105   18.068   26.333   10.961   29.496   45.979   58.452  109.903   44.424  170.781   64.369 -60.87881 78.21038 
1 1 1    0   17    6 o  1052.88  124.028  3000.18  459.359  3253.02  579.227  2571.63  754.099  1186.65  125.082  919.098  214.210 267.5545 248.0555 
1 1 1    0   17    7 o  1277.03  179.249  5415.74  802.851  5174.88  966.555  5951.73  1441.85  1384.73  178.867  1169.32  310.689 215.4092 358.4979 
1 1 1    0   17    8 o  445.771   58.401  371.869   97.096  171.270  119.279  765.867  167.165  283.178   93.192  608.363   70.413 -325.1848 116.8019 
1 1 1    0   17    9 o  583.170   66.946  726.031  141.297  684.747  173.402  807.610  243.754  571.267   77.783  595.074  108.982 -23.80658 133.8929 
1 1 1    0   17   10 o  922.531  104.481  1890.95  376.141  1890.95  376.141   0.0000   0.0000  922.531  104.481  ?   ?       ?      ? 
1 1 1    0   17   11 o  469.505   76.590  463.117  140.329  463.117  140.329   0.0000   0.0000  469.505   76.590  ?   ?       ?      ? 
1 1 1    0   17   12 o  296.152   45.913  154.334   68.832 -49.0750   93.604  393.842  101.571  153.461   70.103  438.844   59.310 -285.3831 91.82626 
1 1 1    0   17   13 o  190.510   49.841   63.636   48.121   57.967   79.428   66.924   60.486  192.869   74.453  188.152   66.282 4.717010 99.68213 
1 1 1    0   17   14 o  225.907   55.308  100.440   57.652  118.770   95.906   90.070   72.141  240.189   83.534  211.625   72.512 28.56352 110.6162 
1 1 1    0   17   15 o  284.814   58.670  174.945   83.795   5.7390  125.760  310.046  112.374  196.960   86.136  372.669   79.683 -175.7091 117.3406 
1 1 1    0   17   16 o  308.501   63.773  220.594   96.368   43.543  144.335  363.002  129.446  219.801   94.188  397.201   86.003 -177.3999 127.5459 
1 1 1    0   17   17 o  280.837  102.854  186.035  147.292  186.035  147.292   0.0000   0.0000  280.837  102.854  ?   ?       ?      ? 
1 1 1    0   17   18 o  313.509   72.975  257.691  104.226  222.364  166.782  280.327  133.506  294.085  109.142  332.933   96.898 -38.84741 145.9496 
1 1 1    0   17   19 o  318.320   90.535  256.402  117.809  256.402  117.809   0.0000   0.0000  318.320   90.535  ?   ?       ?      ? 
1 1 1    0   17   20 o  314.132   90.855  257.440  117.702  257.440  117.702   0.0000   0.0000  314.132   90.855  ?   ?       ?      ? 
1 1 1    0   17   21 o  200.931   58.996   49.126   79.400 -26.1197  105.335  148.134  120.829  160.318   73.653  241.543   92.182 -81.22475 117.9928 
1 1 1    0   17   22 o  174.991   54.218   13.516   74.827   74.410   98.991 -67.6598  114.294  196.750   80.684  153.232   72.445 43.51712 108.4354 
1 1 1    0   17   23 o  424.478   69.572  533.079  104.054  554.682  119.048  463.161  214.171  494.688   61.668  354.268  124.733 140.4204 139.1445 
1 1 1    0   17   24 o  190.119   57.491   62.021   76.404   93.763   89.199 -25.4342  148.057  201.169   78.552  179.070   83.968 22.09898 114.9824 
1 1 1    0   17   25 o  536.000   85.600  1017.01  139.695  997.482  150.695  1136.31  372.471  658.045   58.683  413.955  160.828 244.0907 171.1994 
1 1 1    0   17   26 o  228.628   43.662  161.082   33.483  170.579   34.216 -53.5924  162.672  287.687   30.477  169.569   81.832 118.1180 87.32346 
1 1 1    0   17   27 o  297.635   55.957  312.595   76.617  349.660   84.672  145.130  179.979  384.448   56.438  210.822   96.641 173.6258 111.9144 
1 1 1    0   17   28 o  221.643   53.185  165.250   69.612  208.329   74.778 -114.6160  190.597  279.537   68.973  163.749   80.976 115.7877 106.3692 
1 1 1    0   17   29 o  147.876   48.139   22.255   17.540   21.401   17.645   93.239  160.853  103.223   35.835  192.529   89.360 -89.30628 96.27756 
1 1 1    0   17   30 o  144.874   44.562   29.384   19.443   28.888   19.661   51.397  131.036  115.817   37.822  173.930   80.701 -58.11203 89.12439 
1 1 1    0   18    0 o  454.919   71.132  420.917  120.409  341.487  151.457  557.346  198.495  399.402   97.926  510.436  103.198 -111.0341 142.2646 
1 1 1    0   18    1 o  594.234   55.206  738.801  127.413  729.284  171.729  750.455  190.036  591.883   74.349  596.585   81.627 -4.701233 110.4115 
1 1 1    0   18    2 o  492.345   47.635  464.868   88.331  356.658  109.614  665.273  149.172  416.179   67.493  568.512   67.238 -152.3328 95.26921 
1 1 1    0   18    3 o  698.157   76.019  1088.09  187.035  1081.62  227.573  1101.55  328.316  716.082   81.438  680.232  128.388 35.85052 152.0381 
1 1 1    0   18    4 o  283.958   52.640  192.235   67.132  260.327   80.136   31.998  122.932  358.082   57.347  209.833   88.290 148.2496 105.2795 
1 1 1    0   18    5 o  811.992   82.418  1426.94  240.516  1308.46  285.258  1718.29  447.324  777.213   94.052  846.771  135.371 -69.55853 164.8360 
1 1 1    0   18    6 o  450.391   59.577  419.966   95.787  389.229  115.174  488.919  172.507  434.177   67.976  466.606   97.863 -32.42871 119.1548 
1 1 1    0   18    7 o  926.568  102.232  2071.90  332.904  1985.20  402.353  2260.06  592.757  938.924  109.811  914.213  172.473 24.71130 204.4633 
1 1 1    0   18    8 o  508.865   62.430  535.484  114.030  483.521  137.533  649.756  203.955  481.238   73.235  536.493  101.127 -55.25543 124.8598 
1 1 1    0   18    9 o  707.924   69.253  992.110  176.275  831.701  206.487  1423.14  338.479  623.340   84.886  792.507  109.445 -169.1672 138.5060 
1 1 1    0   18   10 o  393.722   72.495  332.839  107.282  332.839  107.282   0.0000   0.0000  393.722   72.495  ?   ?       ?      ? 
1 1 1    0   18   11 o  911.716  108.591  1906.22  386.353  1906.22  386.353   0.0000   0.0000  911.716  108.591  ?   ?       ?      ? 
1 1 1    0   18   12 o  601.053   58.481   55.905   77.575 -39.1174   79.053  2526.77  403.115  141.990   64.692  1060.12   97.441 -918.1274 116.9610 
1 1 1    0   18   13 f  515.786  150.893  764.098  323.004  764.098  323.004   0.0000   0.0000  515.786  150.893  ?   ?       ?      ? 
1 1 1    0   18   14 o  333.693   58.640  241.074   95.416   23.332  134.969  458.620  134.908  207.538   90.017  459.848   75.178 -252.3094 117.2806 
1 1 1    0   18   15 o  368.482  112.005  353.158  175.331  353.158  175.331   0.0000   0.0000  368.482  112.005  ?   ?       ?      ? 
1 1 1    0   18   16 o  345.915  112.354  321.934  173.584  321.934  173.584   0.0000   0.0000  345.915  112.354  ?   ?       ?      ? 
1 1 1    0   18   17 o  197.746   86.753   25.981  128.463   25.981  128.463   0.0000   0.0000  197.746   86.753  ?   ?       ?      ? 
1 1 1    0   18   18 o  209.788   60.478   73.757   84.942 -84.5756  161.594  134.209   99.849  181.915   86.047  237.660   85.006 -55.74496 120.9552 
1 1 1    0   18   19 o  304.836   74.383  277.058  130.184   38.136  212.179  421.301  164.863  225.715  104.007  383.957  106.368 -158.2415 148.7669 
1 1 1    0   18   20 o  274.196   68.200  210.043   90.734  219.824  125.451  199.315  131.389  280.893   95.624  267.500   97.268 13.39307 136.4006 
1 1 1    0   18   21 o  159.891   50.902  -5.5086   67.396 -33.6655   96.297   21.525   94.356  150.269   69.531  169.512   74.359 -19.24313 101.8031 
1 1 1    0   18   22 o  121.350   41.468 -83.0953   55.681 -65.2913   66.845 -123.4467  100.633  113.632   54.201  129.067   62.773 -15.43427 82.93513 
1 1 1    0   18   23 o  225.575   65.140   88.947   77.484   39.229   87.669  266.402  165.628  170.776   73.299  280.374  107.705 -109.5981 130.2810 
1 1 1    0   18   24 o  203.953   61.827   97.260   84.139  110.287   96.154   54.684  173.826  206.956   81.339  200.951   93.136 6.005310 123.6543 
1 1 1    0   18   25 o  195.909   56.733   99.756   68.570  115.866   78.984   50.463  138.161  206.611   75.372  185.208   84.816 21.40335 113.4667 
1 1 1    0   18   26 o  220.734   57.434  137.489   59.085  127.931   66.958  171.116  125.588  217.185   69.705  224.284   91.301 -7.099319 114.8680 
1 1 1    0   18   27 o  361.012   49.767  505.833   56.267  548.334   59.467  142.540  173.863  514.669   29.608  207.356   95.028 307.3134 99.53357 
1 1 1    0   18   28 o  161.780   38.093   67.433   22.988   73.478   23.367 -114.2243  128.098  184.447   33.706  139.113   68.323 45.33380 76.18503 
1 1 1    0   18   29 o  308.857   52.887  331.160   54.366  342.094   56.922  217.548  183.485  398.903   36.566  218.811   99.253 180.0923 105.7748 
1 1 1    0   19    1 o  489.978   61.280  548.361  109.749  836.894  155.985  265.499  154.444  638.891   62.564  341.065  105.389 297.8263 122.5607 
1 1 1    0   19    2 o  199.123   49.967   66.688   39.354   62.586   43.109   87.207   96.416  176.292   55.862  221.954   82.863 -45.66209 99.93380 
1 1 1    0   19    3 o  173.749   46.026   52.857   40.711   73.933   44.131 -67.5065  105.462  189.034   55.910  158.463   73.127 30.57072 92.05119 
1 1 1    0   19    4 o  710.381   78.649  1112.63  196.057  1045.99  234.463  1267.56  357.490  698.588   86.005  722.174  131.703 -23.58612 157.2971 
1 1 1    0   19    5 o  241.805   66.410  124.850   64.584  124.850   64.584   0.0000   0.0000  241.805   66.410  ?   ?       ?      ? 
1 1 1    0   19    6 f  204.350   71.270 -116.8568   14.074 -125.2252   14.369   80.816   69.834  ?   ?   204.350   71.270      ?      ? 
1 1 1    0   19    7 o  828.127   96.026  1692.88  280.209  1703.24  343.892  1672.41  483.352  872.664  100.982  783.589  163.361 89.07532 192.0525 
1 1 1    0   19    8 o  176.155   44.605   35.033   40.677  -4.5106   50.550  107.675   68.514  126.465   54.971  225.845   70.262 -99.37992 89.21041 
1 1 1    0   19    9 o  250.635   56.350  126.690   60.432   99.102   75.449  176.064  100.935  219.889   74.161  281.381   84.861 -61.49228 112.6998 
1 1 1    0   19   10 o  357.140   80.250  284.688  109.117  284.688  109.117   0.0000   0.0000  357.140   80.250  ?   ?       ?      ? 
1 1 1    0   19   11 o  177.829   72.369   37.400   78.876   37.400   78.876   0.0000   0.0000  177.829   72.369  ?   ?       ?      ? 
1 1 1    0   19   12 o  543.066   86.039  662.131  182.339  662.131  182.339   0.0000   0.0000  543.066   86.039  ?   ?       ?      ? 
1 1 1    0   19   13 o  676.836  200.739  1835.02  568.298  1835.02  568.298   0.0000   0.0000  676.836  200.739  ?   ?       ?      ? 
1 1 1    0   19   14 o  509.660   72.830  609.862  140.323  445.878  177.128  886.224  229.945  413.237  108.466  606.083   97.221 -192.8460 145.6600 
1 1 1    0   19   15 o  332.033  113.208  307.944  175.830  307.944  175.830   0.0000   0.0000  332.033  113.208  ?   ?       ?      ? 
1 1 1    0   19   16 o  273.287   66.043  192.510   97.664   35.056  161.158  283.900  122.779  213.305   95.183  333.269   91.580 -119.9637 132.0864 
1 1 1    0   19   17 o  427.202   75.576  530.144  162.134  144.232  225.987  939.495  232.748  256.181  113.608  598.222   99.699 -342.0411 151.1512 
1 1 1    0   19   18 f  342.766   68.494  324.161  144.096 -171.8901  226.109  663.405  186.986  191.213   93.241  494.319  100.360 -303.1063 136.9889 
1 1 1    0   19   19 o  247.142   68.949  165.624  105.735   23.884  202.289  218.906  124.026  214.829   99.878  279.455   95.080 -64.62646 137.8981 
1 1 1    0   19   20 o  271.453   76.194  233.511  125.917  142.603  223.088  276.012  152.537  244.069  110.192  298.837  105.260 -54.76863 152.3878 
1 1 1    0   19   21 o  368.914   67.942  309.093   79.737  259.582   87.430  553.885  194.405  326.471   70.674  411.358  116.058 -84.88641 135.8834 
1 1 1    0   19   22 o  192.973   56.644   37.010   63.540 -12.1877   73.490  182.696  126.463  137.848   62.638  248.098   94.396 -110.2501 113.2885 
1 1 1    0   19   23 o  151.260   49.553 -47.8165   63.062 -101.5796   75.389   77.458  115.080  109.868   53.633  192.652   83.340 -82.78403 99.10607 
1 1 1    0   19   24 o  156.610   49.638   20.345   63.136   48.710   75.486 -45.7029  115.187  163.337   68.980  149.883   71.398 13.45491 99.27659 
1 1 1    0   19   25 o  147.807   44.658   25.469   50.554   67.021   57.394 -118.3620  106.782  167.933   63.665  127.681   62.642 40.25156 89.31570 
1 1 1    0   19   26 o  146.096   47.127   12.627   51.307   12.470   57.991   13.190  110.081  131.772   58.036  160.420   74.268 -28.64861 94.25484 
1 1 1    0   19   27 o  308.473   50.068  342.993   54.447  365.656   57.284  131.038  175.186  414.646   35.402  202.301   93.669 212.3444 100.1360 
1 1 1    0   19   28 o  205.140   41.578  129.416   33.799  139.770   34.629 -78.7694  155.283  256.165   34.641  154.116   75.597 102.0484 83.15591 
1 1 1    0   20    1 o  191.272   53.828   51.428   58.740   70.149   69.728   5.6644  109.016  195.484   70.893  187.060   81.018 8.424286 107.6553 
1 1 1    0   20    2 o  581.408   56.617  713.652  126.576  668.844  163.675  780.320  199.647  562.399   74.577  600.417   85.208 -38.01727 113.2346 
1 1 1    0   20    3 o  257.322   57.298  145.032   57.756  154.237   64.048  104.969  133.622  268.353   62.350  246.292   96.150 22.06099 114.5966 
1 1 1    0   20    4 o  741.442   90.431  1366.74  234.556  1408.36  287.253  1283.47  406.313  798.034   92.238  684.849  155.573 113.1850 180.8611 
1 1 1    0   20    5 o  284.990   69.399  176.957   76.462  176.957   76.462   0.0000   0.0000  284.990   69.399  ?   ?       ?      ? 
1 1 1    0   20    6 o  207.400   55.451   73.947   52.441   75.005   58.226   69.399  120.679  193.270   65.149  221.529   89.748 -28.25858 110.9018 
1 1 1    0   20    7 o  248.751   49.584   45.404   49.997 -15.7171   55.456  310.787  115.556  125.686   55.979  371.816   81.857 -246.1302 99.16706 
1 1 1    0   20    8 o  360.571   63.342  307.600   87.006  325.993  108.441  274.363  145.770  383.886   75.077  337.257  102.042 46.62909 126.6849 
1 1 1    0   20    9 o  296.554   52.838  143.186   69.922   17.120   85.583  396.263  121.259  171.254   72.933  421.853   76.474 -250.5988 105.6769 
1 1 1    0   20   10 o  464.169   86.044  497.016  150.118  497.016  150.118   0.0000   0.0000  464.169   86.044  ?   ?       ?      ? 
1 1 1    0   20   11 o  385.193   86.835  350.540  127.408  350.540  127.408   0.0000   0.0000  385.193   86.835  ?   ?       ?      ? 
1 1 1    0   20   12 o  349.015   63.266  278.260   94.658  126.771  124.068  489.273  146.427  242.738   93.225  455.291   85.555 -212.5527 126.5326 
1 1 1    0   20   13 o  428.387  152.607  684.327  321.495  684.327  321.495   0.0000   0.0000  428.387  152.607  ?   ?       ?      ? 
1 1 1    0   20   14 o  479.479   73.836  580.484  159.949  177.186  206.273  1188.67  253.307  268.957  113.830  690.002   94.073 -421.0453 147.6720 
1 1 1    0   20   15 o  269.487   63.426  182.036   99.143 -46.3076  162.867  316.466  124.965  189.439   88.586  349.535   90.797 -160.0961 126.8528 
1 1 1    0   20   16 o  255.262  106.186  171.533  174.799  171.533  174.799   0.0000   0.0000  255.262  106.186  ?   ?       ?      ? 
1 1 1    0   20   17 o  208.896   94.939   38.654  168.916   38.654  168.916   0.0000   0.0000  208.896   94.939  ?   ?       ?      ? 
1 1 1    0   20   18 o  240.345   67.297  154.050  100.736  -1.1054  205.704  202.998  115.539  209.449   98.456  271.241   91.772 -61.79228 134.5940 
1 1 1    0   20   19 o  341.596  110.777  376.963  168.777   0.0000   0.0000  376.963  168.777  ?   ?   341.596  110.777      ?      ? 
1 1 1    0   20   20 o  465.362  190.192  1924.68  547.714   0.0000   0.0000  1924.68  547.714  ?   ?   465.362  190.192      ?      ? 
1 1 1    0   20   21 o  183.312   55.477   60.064   69.414   65.694   86.997   50.199  115.152  181.789   75.208  184.835   81.575 -3.046051 110.9532 
1 1 1    0   20   22 o  297.826   70.883  229.180   78.689  176.829   86.455  481.933  189.967  250.914   79.067  344.737  117.670 -93.82365 141.7669 
1 1 1    0   20   23 o  271.066   67.407  151.305   72.066   80.682   78.826  510.909  177.872  181.776   72.922  360.355  113.390 -178.5787 134.8144 
1 1 1    0   20   24 o  163.278   52.221   0.1677   58.817 -39.8566   66.707  139.982  124.676  117.115   55.362  209.441   88.561 -92.32630 104.4412 
1 1 1    0   20   25 o  183.382   59.654   42.818  107.285 -129.5918  174.280  148.019  136.137  156.455   77.381  210.309   90.812 -53.85374 119.3086 
1 1 1    0   20   26 o  145.920   49.653 -35.2498   67.339 -51.5020   76.534   20.463  141.701  120.771   57.714  171.070   80.812 -50.29874 99.30549 
1 1 1    0   20   27 o  219.133   60.313  168.734   74.478  175.950   81.111  129.955  188.033  241.054   76.652  197.212   93.140 43.84204 120.6257 
1 1 1    0   21    1 o  780.458  107.258  1449.14  326.670   0.0000   0.0000  1449.14  326.670  ?   ?   780.458  107.258      ?      ? 
1 1 1    0   21    2 o  451.629   65.394  488.110  108.404  536.767  136.117  403.732  179.249  501.612   69.537  401.646  110.772 99.96588 130.7887 
1 1 1    0   21    3 o  425.448   77.143  419.487  124.514  334.452  153.323  584.195  213.386  370.103  102.595  480.793  115.233 -110.6896 154.2867 
1 1 1    0   21    4 o  530.944   73.282  645.592  133.136  607.104  155.573  750.904  257.344  528.071   75.494  533.818  125.626 -5.747437 146.5648 
1 1 1    0   21    5 o  206.910   56.070   77.222   54.872   82.491   60.697   53.650  128.374  199.085   66.520  214.734   90.281 -15.64977 112.1408 
1 1 1    0   21    6 o  193.031   54.664   54.418   52.508   52.037   58.461   64.356  119.430  171.988   64.461  214.074   88.303 -42.08588 109.3282 
1 1 1    0   21    7 o  328.790   66.375  239.944   79.803  215.164   91.461  318.987  163.347  306.336   76.685  351.244  108.359 -44.90817 132.7491 
1 1 1    0   21    8 o  438.773   70.109  497.313  115.356  547.011  141.887  400.415  198.121  497.858   73.031  379.688  119.697 118.1703 140.2173 
1 1 1    0   21    9 o  307.368   57.452  181.064   86.866  -4.1835  113.462  443.419  135.026  179.415   79.977  435.321   82.503 -255.9062 114.9049 
1 1 1    0   21   10 o  248.533   59.620  115.310   86.517 -64.1903  128.045  266.103  117.360  169.380   78.986  327.686   89.326 -158.3062 119.2394 
1 1 1    0   21   11 o  501.031   61.437  271.337  125.695 -47.6342  139.489  1648.97  289.889  179.600   83.308  822.462   90.320 -642.8613 122.8737 
1 1 1    0   21   12 o  707.489  108.366  1354.97  299.188  1354.97  299.188   0.0000   0.0000  707.489  108.366  ?   ?       ?      ? 
1 1 1    0   21   13 o  555.201  114.138  883.307  239.031  883.307  239.031   0.0000   0.0000  555.201  114.138  ?   ?       ?      ? 
1 1 1    0   21   14 o  488.398  199.127  1897.62  598.570  1897.62  598.570   0.0000   0.0000  488.398  199.127  ?   ?       ?      ? 
1 1 1    0   21   15 o  332.199  141.806  523.108  324.904  523.108  324.904   0.0000   0.0000  332.199  141.806  ?   ?       ?      ? 
1 1 1    0   21   18 f  225.684  106.824   61.958  249.853   61.958  249.853   0.0000   0.0000  225.684  106.824  ?   ?       ?      ? 
1 1 1    0   21   19 o  214.311  103.918   1.4168  270.289   1.4168  270.289   0.0000   0.0000  214.311  103.918  ?   ?       ?      ? 
1 1 1    0   21   20 o  215.417   66.611  124.866  107.636 -78.9362  276.134  161.380  116.881  198.722   98.119  232.112   90.116 -33.39003 133.2227 
1 1 1    0   21   21 o  178.533   89.159 -177.8158  254.755 -177.8158  254.755   0.0000   0.0000  178.533   89.159  ?   ?       ?      ? 
1 1 1    0   21   22 o  138.798   46.140 -31.6006   64.559  -3.7688   87.679 -64.5573   95.411  145.334   66.928  132.263   63.533 13.07051 92.28075 
1 1 1    0   21   23 o  231.700   68.006  180.651  124.020 -86.5087  193.558  366.723  161.535  168.494   82.994  294.906  107.757 -126.4121 136.0130 
1 1 1    0   21   24 o  240.431   68.263  109.150   80.057   25.532   88.203  500.140  190.728  155.058   69.713  325.803  117.385 -170.7444 136.5251 
1 1 1    0   21   25 o  245.916   81.971  190.991   92.175  190.991   92.175   0.0000   0.0000  245.916   81.971  ?   ?       ?      ? 
1 1 1    0   21   26 o  165.960   56.698   4.0790   83.156 -18.6962   91.303  114.889  201.392  138.582   65.283  193.338   92.720 -54.75603 113.3966 
1 1 1    0   22    0 o  210.766   99.120 -158.8057  208.891   0.0000   0.0000 -158.8057  208.891  ?   ?   210.766   99.120      ?      ? 
1 1 1    0   22    1 o  556.757  116.094  819.397  244.067   0.0000   0.0000  819.397  244.067  ?   ?   556.757  116.094      ?      ? 
1 1 1    0   22    2 o  280.032   67.603  193.222  106.509  296.361  127.735 -42.0862  192.938  347.040   92.601  213.023   98.516 134.0167 135.2051 
1 1 1    0   22    3 o  162.548   52.773  -7.3302   56.106   1.2601   60.349 -62.0583  152.324  138.401   60.111  186.695   86.756 -48.29428 105.5455 
1 1 1    0   22    4 o  222.908   61.349   39.086   68.976 -14.5188   78.130  228.486  146.860  147.740   66.075  298.076  103.387 -150.3357 122.6976 
1 1 1    0   22    5 o  140.784   46.984 -101.6801   43.158 -128.5551   46.530   63.851  115.477   74.121   37.174  207.447   86.302 -133.3262 93.96820 
1 1 1    0   22    6 o  270.731  102.630  182.121  149.140   0.0000   0.0000  182.121  149.140  ?   ?   270.731  102.630      ?      ? 
1 1 1    0   22    7 o  304.547   75.000  254.257  113.470  316.268  153.820  180.229  168.065  340.223  105.184  268.870  106.942 71.35239 150.0009 
1 1 1    0   22    8 o  347.661   81.853  358.255  129.593  338.348  175.473  382.140  192.214  340.135  113.085  355.186  118.369 -15.05042 163.7054 
1 1 1    0   22    9 f  257.693  102.243  167.750  153.271  167.750  153.271   0.0000   0.0000  257.693  102.243  ?   ?       ?      ? 
1 1 1    0   22   10 o  208.421   93.965   31.651  161.555   31.651  161.555   0.0000   0.0000  208.421   93.965  ?   ?       ?      ? 
1 1 1    0   22   11 o  410.867   95.555  606.577  175.202  670.085  277.190  564.325  226.092  413.983  142.125  407.751  127.763 6.231171 191.1099 
1 1 1    0   22   12 o  247.829  109.565  146.322  208.617  146.322  208.617   0.0000   0.0000  247.829  109.565  ?   ?       ?      ? 
1 1 1    0   22   13 o  235.674   60.946  118.660   87.062 -32.0314  128.184  247.704  118.621  171.341   79.609  300.007   92.305 -128.6658 121.8925 
1 1 1    0   22   14 o  234.763   95.177  139.880  135.822  139.880  135.822   0.0000   0.0000  234.763   95.177  ?   ?       ?      ? 
1 1 1    0   22   15 o  386.313   77.963  471.811  124.911  512.072  169.098  423.456  185.316  418.158  104.046  354.468  116.135 63.68982 155.9258 
1 1 1    0   22   16 o  239.501  108.363  149.052  217.086  149.052  217.086   0.0000   0.0000  239.501  108.363  ?   ?       ?      ? 
1 1 1    0   22   17 o  175.848   79.160   22.361  114.155   22.361  114.155   0.0000   0.0000  175.848   79.160  ?   ?       ?      ? 
1 1 1    0   22   18 o  245.475   65.764  173.286  101.624   8.9132  151.305  308.377  137.168  183.242   85.588  307.707   99.872 -124.4658 131.5284 
1 1 1    0   22   19 o  325.950   92.391  680.162  215.243  399.935  358.719  837.817  269.063  249.559  120.697  402.342  139.917 -152.7834 184.7825 
1 1 1    0   22   20 o  251.683   75.847  303.883  147.718  139.048  313.444  350.945  167.483  214.224  105.537  289.142  108.963 -74.91772 151.6935 
1 1 1    0   22   21 o  305.993   86.166  586.730  213.716 -12.6210  349.132  945.894  270.268  198.793   99.990  413.193  140.357 -214.4002 172.3316 
1 1 1    0   22   22 o  135.281   46.218 -71.4648   66.258   3.5480  116.152 -107.6492   80.671  159.972   74.808  110.591   54.296 49.38081 92.43513 
1 1 1    0   22   23 o  250.340   67.978  161.042   93.055   33.466  109.952  483.094  174.695  165.772   75.823  334.909  112.848 -169.1374 135.9552 
1 1 1    0   22   24 o  284.273   74.425  107.123  101.241 -63.4764  111.155  937.554  245.241  138.977   67.208  429.570  132.814 -290.5926 148.8502 
1 1 1    0   23    1 o  224.280   58.035  119.783   65.462  144.291   71.133 -15.8028  167.312  248.063   70.279  200.496   92.376 47.56766 116.0705 
1 1 1    0   23    2 f  395.461  142.343  586.469  280.388   0.0000   0.0000  586.469  280.388  ?   ?   395.461  142.343      ?      ? 
1 1 1    0   23    3 o  163.202   53.488   5.3545   49.009   10.359   51.091 -52.3004  173.415  132.499   56.388  193.904   90.908 -61.40504 106.9759 
1 1 1    0   23    4 o  316.990   69.538  269.388   86.673  268.290   96.578  273.931  196.476  334.691   75.715  299.289  116.660 35.40137 139.0767 
1 1 1    0   23    5 o  246.144   64.183  136.722   68.407  128.178   75.222  177.575  164.480  231.986   73.821  260.302  105.015 -28.31589 128.3656 
1 1 1    0   23    6 o  326.235   71.169  279.173   90.870  255.788  104.702  350.557  182.928  318.401   83.306  334.069  115.413 -15.66733 142.3380 
1 1 1    0   23    7 f  159.570   51.632  -9.4380   61.192  -8.8914   69.338 -11.3630  130.119  138.976   62.194  180.164   82.435 -41.18819 103.2647 
1 1 1    0   23    8 o  240.447   65.809  111.528   74.404   74.593   83.695  250.719  162.474  192.678   75.836  288.217  107.573 -95.53969 131.6172 
1 1 1    0   23    9 o  170.228   72.437   34.569   84.295   34.569   84.295   0.0000   0.0000  170.228   72.437  ?   ?       ?      ? 
1 1 1    0   23   10 o  304.369   56.695   99.370   93.518 -140.0561  114.184  587.185  162.985  136.718   66.578  472.021   91.787 -335.3032 113.3906 
1 1 1    0   23   11 o  287.500   72.329  237.537  102.983  170.044  135.651  329.358  158.221  249.096   96.979  325.904  107.336 -76.80852 144.6579 
1 1 1    0   23   12 o  343.145   86.991  446.762  161.082  291.004  241.079  572.386  216.507  281.848  121.276  404.443  124.748 -122.5948 173.9828 
1 1 1    0   23   13 o  323.556   78.006  310.232  119.894  184.179  150.142  532.068  199.179  251.234  100.693  395.879  119.167 -144.6447 156.0124 
1 1 1    0   23   14 o  317.913   77.800  324.777  120.008  216.621  155.994  481.607  187.843  261.551  103.346  374.275  116.323 -112.7237 155.5996 
1 1 1    0   23   15 o  299.057   69.209  251.361  106.381   82.743  139.403  486.467  164.609  204.427   90.011  393.688  105.154 -189.2606 138.4177 
1 1 1    0   23   16 o  175.232   86.439 -153.0522  212.539 -153.0522  212.539   0.0000   0.0000  175.232   86.439  ?   ?       ?      ? 
1 1 1    0   23   17 f  374.576   61.350  280.486  122.737 -72.8503  148.574  1039.81  217.801  160.934   77.796  588.217   94.883 -427.2830 122.6995 
1 1 1    0   23   18 o  263.857   67.629  221.645  111.850  -5.1030  157.260  453.780  159.117  174.749   83.293  352.965  106.570 -178.2159 135.2583 
1 1 1    0   23   19 o  426.207   97.065  461.016  170.222   93.109  184.653  2542.54  439.216  197.976   93.133  654.438  170.331 -456.4619 194.1300 
1 1 1    0   23   20 o  247.267   76.970  318.995  149.399  312.879  320.139  320.698  168.921  226.875  110.700  267.658  106.971 -40.78287 153.9394 
1 1 1    0   23   21 o  175.657   59.342   21.416  107.630 -174.8050  268.669   58.927  117.468  174.574   87.796  176.740   79.862 -2.166077 118.6846 
1 1 1    0   23   22 o  239.910   74.942  303.036  149.135  173.509  244.672  379.606  188.120  207.951  100.356  271.868  111.328 -63.91713 149.8842 
1 1 1    0   23   23 o  ?   ?  -355.0341  130.589 -355.0341  130.589   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1    0   24    0 o  317.013   84.192  223.698  118.960  216.442  130.246  260.207  292.157  302.850   97.220  331.175  137.482 -28.32455 168.3837 
1 1 1    0   24    1 o  183.061   59.497   6.5308   73.339  -0.6979   80.056   44.265  182.910  150.992   67.253  215.129   98.165 -64.13684 118.9934 
1 1 1    0   24    2 o  482.515  196.489  1871.19  581.929   0.0000   0.0000  1871.19  581.929  ?   ?   482.515  196.489      ?      ? 
1 1 1    0   24    3 o  230.028   62.036  136.036   78.779  167.152   84.337 -76.9662  220.658  258.159   77.506  201.897   96.885 56.26160 124.0719 
1 1 1    0   24    4 o  214.771   65.436   51.166   61.308   32.163   64.385  235.852  200.722  155.887   64.613  273.655  113.809 -117.7681 130.8711 
1 1 1    0   24    5 o  186.062   59.420 -12.3612   51.452 -32.3338   53.852  196.876  174.303  111.798   51.824  260.326  106.946 -148.5277 118.8408 
1 1 1    0   24    6 o  281.681   70.147  218.646   87.013  209.509   97.705  253.672  191.302  283.638   82.993  279.724  113.112 3.914124 140.2932 
1 1 1    0   24    7 o  321.273   72.705  320.198  104.312  337.239  122.974  276.484  196.958  356.078   88.800  286.467  115.146 69.61078 145.4101 
1 1 1    0   24    8 o  266.588   69.055  201.601   89.806  201.116  104.290  202.992  176.645  273.209   86.920  259.967  107.328 13.24191 138.1100 
1 1 1    0   24    9 o  255.890   88.804  178.933  108.360  178.933  108.360   0.0000   0.0000  255.890   88.804  ?   ?       ?      ? 
1 1 1    0   24   10 o  294.760   74.506  290.102  114.268  324.544  137.560  213.432  205.240  331.375   98.872  258.146  111.485 73.22977 149.0120 
1 1 1    0   24   11 o  152.952   51.997 -89.6237   86.253 -108.0715  108.453 -57.8722  142.283  137.244   66.374  168.660   80.057 -31.41606 103.9938 
1 1 1    0   24   12 o  334.868   83.943  416.123  158.527  163.008  215.701  713.417  233.769  237.254  107.618  432.481  128.857 -195.2270 167.8855 
1 1 1    0   24   13 o  229.727   69.740  137.575  112.527   54.103  146.914  256.049  175.026  194.981   88.586  264.472  107.736 -69.49106 139.4792 
1 1 1    0   24   14 o  240.365   70.839  161.033  113.425   36.175  145.724  352.942  180.663  186.167   85.928  294.563  112.646 -108.3966 141.6782 
1 1 1    0   24   15 o  271.906   75.322  281.639  119.060  175.990  157.375  423.036  182.062  226.606   97.744  317.205  114.628 -90.59854 150.6433 
1 1 1    0   24   16 o  218.967   68.794  169.531  122.534   59.733  249.277  204.514  140.707  201.076   98.017  236.859   96.555 -35.78302 137.5871 
1 1 1    0   24   17 o  167.606   54.986   20.584   83.989   36.985  134.713   10.155  107.424  176.071   81.741  159.142   73.567 16.92879 109.9715 
1 1 1    0   24   18 o  222.856   68.073  187.381  107.902  197.370  161.927  179.402  144.713  224.416   97.952  221.296   94.556 3.119995 136.1452 
1 1 1    0   24   19 o  327.420   83.340  477.199  155.454  183.402  198.754  940.113  249.484  215.137   99.668  439.702  133.597 -224.5650 166.6792 
1 1 1    0   24   20 o  182.109   86.203   50.751  162.749   50.751  162.749   0.0000   0.0000  182.109   86.203  ?   ?       ?      ? 
1 1 1    0   24   21 f  197.543   92.452  128.559  178.016  128.559  178.016   0.0000   0.0000  197.543   92.452  ?   ?       ?      ? 
1 1 1    0   25    1 o  170.147   76.448   8.9086  105.874   0.0000   0.0000   8.9086  105.874  ?   ?   170.147   76.448      ?      ? 
1 1 1    0   25    2 o  246.475   72.455  167.640  112.323  153.554  141.505  191.633  184.678  239.050   97.066  253.900  107.596 -14.85005 144.9094 
1 1 1    0   25    4 o  274.708   72.578  227.428   98.038  227.193  108.740  228.449  226.623  287.114   88.383  262.303  115.146 24.81149 145.1563 
1 1 1    0   25    5 o  250.210   70.200  149.394   82.533  123.492   90.466  277.963  201.553  221.003   80.658  279.416  114.920 -58.41304 140.4006 
1 1 1    0   25    6 o  263.291   71.552  190.652   90.531  167.043  101.718  280.627  198.568  247.393   86.029  279.188  114.357 -31.79541 143.1034 
1 1 1    0   25    7 o  176.765   57.854 -20.7174   72.380 -54.8621   80.588  121.750  164.613  129.069   60.963  224.461   98.345 -95.39180 115.7076 
1 1 1    0   25    8 o  195.686   61.585   10.249   77.805 -43.5947   87.642  210.507  169.022  137.833   64.623  253.538  104.855 -115.7047 123.1692 
1 1 1    0   25    9 o  206.695   84.260  104.975  107.155  104.975  107.155   0.0000   0.0000  206.695   84.260  ?   ?       ?      ? 
1 1 1    0   25   10 o  202.501   64.361   16.898   92.591 -65.0088  107.025  260.611  184.613  143.690   68.551  261.312  108.950 -117.6221 128.7220 
1 1 1    0   25   11 o  204.957   65.029   85.017   99.542   45.036  119.305  176.616  180.582  180.381   81.089  229.533  101.684 -49.15169 130.0582 
1 1 1    0   25   12 o  167.328   55.213   1.4687   85.223 -13.1752  106.792   27.149  141.422  154.852   72.186  179.804   83.567 -24.95151 110.4270 
1 1 1    0   25   13 o  130.612   44.741 -82.0412   69.326 -55.6154   86.622 -129.1292  115.629  129.137   61.626  132.086   64.880 -2.948059 89.48257 
1 1 1    0   25   14 o  266.153  101.331  277.083  145.786  277.083  145.786   0.0000   0.0000  266.153  101.331  ?   ?       ?      ? 
1 1 1    0   25   15 o  219.860   93.490  171.760  140.233  171.760  140.233   0.0000   0.0000  219.860   93.490  ?   ?       ?      ? 
1 1 1    0   25   16 o  205.411  100.558  121.029  270.633  121.029  270.633   0.0000   0.0000  205.411  100.558  ?   ?       ?      ? 
1 1 1    0   25   17 o  162.969   77.557 -10.3150  135.230 -10.3150  135.230   0.0000   0.0000  162.969   77.557  ?   ?       ?      ? 
1 1 1    0   25   18 o  149.575   72.706 -69.0034  134.485 -69.0034  134.485   0.0000   0.0000  149.575   72.706  ?   ?       ?      ? 
1 1 1    0   25   19 o  236.259   69.561  225.614  114.546   84.661  158.103  381.346  166.184  186.605   87.267  285.913  108.348 -99.30783 139.1218 
1 1 1    0   26    0 o  643.880  171.947  1473.25  440.194  1473.25  440.194   0.0000   0.0000  643.880  171.947  ?   ?       ?      ? 
1 1 1    0   26    2 o  366.678   95.479  398.529  137.968  398.529  137.968   0.0000   0.0000  366.678   95.479  ?   ?       ?      ? 
1 1 1    0   26    3 o  431.827  102.673  574.543  170.487  574.543  170.487   0.0000   0.0000  431.827  102.673  ?   ?       ?      ? 
1 1 1    0   26    4 o  205.595   83.054  107.216  103.028  107.216  103.028   0.0000   0.0000  205.595   83.054  ?   ?       ?      ? 
1 1 1    0   26    5 o  265.012   90.087  213.818  111.340  213.818  111.340   0.0000   0.0000  265.012   90.087  ?   ?       ?      ? 
1 1 1    0   26    6 o  219.476   84.798  137.376  103.105  137.376  103.105   0.0000   0.0000  219.476   84.798  ?   ?       ?      ? 
1 1 1    0   26    7 o  159.540   71.192   22.918   90.160   22.918   90.160   0.0000   0.0000  159.540   71.192  ?   ?       ?      ? 
1 1 1    0   26    8 o  429.667  104.657  612.169  173.857  612.169  173.857   0.0000   0.0000  429.667  104.657  ?   ?       ?      ? 
1 1 1    0   26    9 o  138.973   64.458 -17.2877   83.486 -17.2877   83.486   0.0000   0.0000  138.973   64.458  ?   ?       ?      ? 
1 1 1    0   26   10 o  207.785   83.205  127.484  102.421  127.484  102.421   0.0000   0.0000  207.785   83.205  ?   ?       ?      ? 
1 1 1    0   26   11 o  231.560   68.495  125.870   88.621   45.584  100.356  410.191  188.854  168.962   75.275  294.157  114.454 -125.1951 136.9891 
1 1 1    0   26   12 o  158.929   53.027  -7.8468   72.664 -30.2401   83.671   60.863  146.564  133.303   62.704  184.555   85.531 -51.25188 106.0536 
1 1 1    0   26   13 o  162.831   53.619   14.165   79.015   11.199   96.367   20.252  138.031  153.917   70.615  171.745   80.706 -17.82755 107.2377 
1 1 1    0   26   14 o  185.833   59.258   79.412   90.780   91.290  116.733   61.236  144.401  188.458   82.688  183.208   84.904 5.250473 118.5153 
1 1 1    0   26   15 o  221.113   66.120  125.873  104.457 -26.5874  134.019  361.838  166.729  158.474   75.904  283.753  108.286 -125.2791 132.2391 
1 1 1    0   26   16 f  206.837   67.374  156.967  124.228  172.325  201.598  147.564  157.734  208.719   97.906  204.955   92.583 3.763687 134.7487 
1 1 1    0   26   17 o  163.855   78.618  -4.4798  145.169  -4.4798  145.169   0.0000   0.0000  163.855   78.618  ?   ?       ?      ? 
1 1 1    0   27    1 o  242.063   64.149  209.183   95.332  266.646  112.319   61.132  180.287  290.056   89.915  194.070   91.517 95.98633 128.2971 
1 1 1    0   27    2 o  302.650   72.041  377.230  115.712  430.423  138.867  256.412  209.285  366.230   95.997  239.070  107.443 127.1607 144.0813 
1 1 1    0   27    3 o  153.941   51.087 -10.0601   74.602   22.435   85.023 -118.7804  155.518  154.424   69.006  153.458   75.351 0.9654083 102.1739 
1 1 1    0   27    4 o  234.192   65.576  196.341   93.826  221.833  110.637  131.053  177.059  260.085   89.762  208.299   95.621 51.78603 131.1511 
1 1 1    0   27    5 o  135.029   45.903 -50.3557   65.006 -30.8164   75.448 -106.6557  128.070  127.783   59.926  142.275   69.549 -14.49169 91.80533 
1 1 1    0   27    6 o  143.355   47.726 -18.6032   63.275 -15.4464   74.816 -26.5339  118.583  132.509   61.304  154.201   73.163 -21.69147 95.45169 
1 1 1    0   27    7 o  131.707   44.671 -61.4358   59.623 -93.2880   72.512   5.0508  104.763  107.117   52.357  156.298   72.392 -49.18035 89.34113 
1 1 1    0   27    8 o  203.737   81.339  123.173   97.558  123.173   97.558   0.0000   0.0000  203.737   81.339  ?   ?       ?      ? 
1 1 1    0   27    9 o  178.074   57.382   54.796   81.280   46.118   95.625   77.387  154.284  166.618   73.895  189.530   87.808 -22.91199 114.7636 
1 1 1    0   27   10 o  147.603   50.540 -54.3605   75.071 -78.8760   87.250   15.524  147.312  122.214   59.209  172.992   81.924 -50.77881 101.0800 
1 1 1    0   27   11 o  214.275   96.834  172.754  172.764   0.0000   0.0000  172.754  172.764  ?   ?   214.275   96.834      ?      ? 
1 1 1    0   27   12 o  235.309   73.742  255.642  140.973  122.646  201.908  382.143  196.917  201.004   95.398  269.615  112.476 -68.61029 147.4846 
1 1 1    0   27   13 o  176.113   59.017   19.991  114.249 -125.0973  186.269  107.492  144.654  158.745   78.773  193.482   87.904 -34.73669 118.0350 
1 1 1    0   27   14 o  154.570   51.729 -48.3893   81.749 -152.9070  105.948  105.384  128.511  118.920   59.079  190.220   84.931 -71.30012 103.4582 
1 1 1    0   27   15 o  264.742   76.416  371.838  128.048  411.247  172.867  323.926  190.605  287.225  110.105  242.258  105.992 44.96646 152.8317 
1 1 1    0   28    0 o  320.297   85.260  338.181  150.622  393.678  194.300  254.608  238.436  352.819  119.011  287.775  122.121 65.04388 170.5207 
1 1 1    0   28    1 o  185.001   59.867   71.488   89.291   77.870  100.452   47.463  194.907  181.130   78.110  188.871   90.746 -7.741592 119.7334 
1 1 1    0   28    2 o  299.727   79.645  432.896  131.478  422.904  154.441  459.206  250.603  331.933  105.793  267.520  119.085 64.41309 159.2900 
1 1 1    0   28    3 o  217.222   69.126  175.376  131.803  263.735  169.264   39.273  210.074  244.972  103.365  189.472   91.812 55.49976 138.2529 
1 1 1    0   28    4 o  265.411   80.404  392.513  154.872  447.020  203.569  317.613  238.631  291.993  117.170  238.830  110.139 53.16269 160.8082 
1 1 1    0   28    5 o  260.650   79.366  367.344  149.418  409.973  200.940  314.620  223.467  279.779  114.870  241.521  109.547 38.25798 158.7312 
1 1 1    0   28    6 o  187.316   62.319   60.284  118.537  120.255  164.177  -5.0229  171.324  200.310   91.999  174.321   84.089 25.98935 124.6384 
1 1 1    0   28    7 o  197.057   64.921  107.379  122.330   81.665  177.991  130.398  168.409  191.725   90.570  202.389   93.036 -10.66501 129.8412 
1 1 1    0   28    8 o  115.163   56.581 -110.9592   88.109 -110.9592   88.109   0.0000   0.0000  115.163   56.581  ?   ?       ?      ? 
1 1 1    0   28    9 o  156.715   52.452  -2.4697   81.203   12.437   96.192 -39.4399  151.484  152.571   70.201  160.859   77.952 -8.288101 104.9032 
1 1 1    0   28   10 o  179.727   58.317   52.198   87.611  -2.2610  108.059  156.675  149.670  152.505   71.582  206.950   92.083 -54.44516 116.6331 
1 1 1    0   28   11 o  143.246   48.641 -103.9736   67.448 -194.0998   80.101  115.639  125.037   93.727   47.238  192.766   85.043 -99.03904 97.28186 
1 1 1    0   28   12 o  235.462   70.501  267.723  117.643  321.824  154.855  193.883  180.913  262.274  103.178  208.649   96.104 53.62514 141.0027 
1 1 1    0   29    1 o  280.332   73.012  407.515  135.015  472.903  154.160  192.211  279.737  352.577  104.547  208.087  101.946 144.4894 146.0246 
1 1 1    0   29    2 o  198.423   64.650  123.926  108.738  128.694  119.897  101.833  258.112  199.947   85.767  196.899   96.760 3.048660 129.3004 
1 1 1    0   29    3 o  272.431   76.691  400.798  135.307  401.631  152.172  397.654  295.711  312.983  105.323  231.879  111.504 81.10413 153.3819 
1 1 1    0   29    4 o  189.926   64.442   59.125  103.228   14.454  113.051  283.170  253.182  158.847   74.122  221.005  105.436 -62.15822 128.8831 
1 1 1    0   29    5 o  210.832   69.075  172.204  121.946  131.542  139.752  301.972  249.660  198.234   88.534  223.430  106.053 -25.19652 138.1504 
1 1 1    0   29    6 o  174.570   83.716   31.433  164.145   31.433  164.145   0.0000   0.0000  174.570   83.716  ?   ?       ?      ? 
1 1 1    0   29    7 o  258.240   77.334  383.862  137.321  362.690  161.442  439.263  261.150  275.863  106.242  240.616  112.405 35.24686 154.6681 
1 1 1    1    0    2 o  287.215   23.459  167.755   35.894  167.755   35.894  167.755   35.894  287.215   33.176  287.215   33.176 -0.000000 0.000000 
1 1 1    1    0    3 o  1354.76   31.576  3612.54  235.503  3612.54  235.503  3612.54  235.503  1354.76   44.655  1354.76   44.655 -0.000000 0.000000 
1 1 1    1    0    4 o  791.282   31.270  1239.80  135.578  1239.80  135.578  1239.80  135.578  791.282   44.222  791.282   44.222 0.000000 0.000000 
1 1 1    1    0    5 o  1278.68   30.189  3217.93  212.500  3217.93  212.500  3217.93  212.500  1278.68   42.694  1278.68   42.694 0.000000 0.000000 
1 1 1    1    0    6 o  286.391   16.156  163.324   25.161  163.324   25.161  163.324   25.161  286.391   22.848  286.391   22.848 0.000000 0.000000 
1 1 1    1    0    7 o  861.134   23.047  1458.22  109.174  1458.22  109.174  1458.22  109.174  861.134   32.593  861.134   32.593 -0.000000 0.000000 
1 1 1    1    0    8 o  777.952   21.773  1190.52   93.148  1190.52   93.148  1190.52   93.148  777.952   30.792  777.952   30.792 0.000000 0.000000 
1 1 1    1    0    9 o  455.838   17.617  410.085   44.017  410.085   44.017  410.085   44.017  455.838   24.915  455.838   24.915 -0.000000 0.000000 
1 1 1    1    0   10 o  825.894   22.594  1343.38  102.631  1343.38  102.631  1343.38  102.631  825.894   31.952  825.894   31.952 -0.000000 0.000000 
1 1 1    1    0   11 o   75.471   26.477   16.475   13.315   16.475   13.315   16.475   13.315   75.471   37.444   75.471   37.444 0.000000 0.000000 
1 1 1    1    0   12 o  519.675   18.422  533.583   52.530  533.583   52.530  533.583   52.530  519.675   26.052  519.675   26.052 -0.000000 0.000000 
1 1 1    1    0   13 o  651.410   20.107  838.620   71.971  838.620   71.971  838.620   71.971  651.410   28.435  651.410   28.435 -0.000000 0.000000 
1 1 1    1    0   14 f  893.476   23.754  1580.00  116.752  1580.00  116.752  1580.00  116.752  893.476   33.593  893.476   33.593 0.000000 0.000000 
1 1 1    1    0   15 o  359.613   17.009  256.819   33.410  256.819   33.410  256.819   33.410  359.613   24.054  359.613   24.054 0.000000 0.000000 
1 1 1    1    0   16 o  694.970   29.555  963.248  112.419  963.248  112.419  963.248  112.419  694.970   41.798  694.970   41.798 0.000000 0.000000 
1 1 1    1    0   17 o  268.549   17.041  144.545   24.788  144.545   24.788  144.545   24.788  268.549   24.099  268.549   24.099 -0.000000 0.000000 
1 1 1    1    0   18 o  677.368   20.480  904.089   76.240  904.089   76.240  904.089   76.240  677.368   28.962  677.368   28.962 -0.000000 0.000000 
1 1 1    1    0   19 o  655.318   20.200  846.084   72.739  846.084   72.739  846.084   72.739  655.318   28.567  655.318   28.567 -0.000000 0.000000 
1 1 1    1    0   20 o  670.983   20.451  887.031   75.412  887.031   75.412  887.031   75.412  670.983   28.923  670.983   28.923 0.000000 0.000000 
1 1 1    1    0   21 o  696.853   20.859  956.984   79.891  956.984   79.891  956.984   79.891  696.853   29.498  696.853   29.498 -0.000000 0.000000 
1 1 1    1    0   22 o  901.177   24.007  1601.84  119.014  1601.84  119.014  1601.84  119.014  901.177   33.952  901.177   33.952 0.000000 0.000000 
1 1 1    1    0   23 o  785.662   22.336  1217.57   96.492  1217.57   96.492  1217.57   96.492  785.662   31.588  785.662   31.588 -0.000000 0.000000 
1 1 1    1    0   24 o  259.244   32.450  144.299   42.087  144.299   42.087  144.299   42.087  259.244   45.892  259.244   45.892 0.000000 0.000000 
1 1 1    1    0   25 o  550.535   19.480  599.016   58.849  599.016   58.849  599.016   58.849  550.535   27.549  550.535   27.549 -0.000000 0.000000 
1 1 1    1    0   26 o  376.584   18.586  282.331   38.195  282.331   38.195  282.331   38.195  376.584   26.284  376.584   26.284 0.000000 0.000000 
1 1 1    1    0   27 o  435.581   18.816  377.065   44.846  377.065   44.846  377.065   44.846  435.581   26.610  435.581   26.610 0.000000 0.000000 
1 1 1    1    0   28 o   65.731   26.508   11.181   15.073   11.181   15.073   11.181   15.073   65.731   37.488   65.731   37.488 0.000000 0.000000 
1 1 1    1    0   29 o   79.900   29.176   18.739   16.520   18.739   16.520   18.739   16.520   79.900   41.261   79.900   41.261 0.000000 0.000000 
1 1 1    1    0   30 o  611.390   20.983  746.540   70.421  746.540   70.421  746.540   70.421  611.390   29.675  611.390   29.675 0.000000 0.000000 
1 1 1    1    0   31 o  405.724   20.696  331.699   45.787  331.699   45.787  331.699   45.787  405.724   29.268  405.724   29.268 -0.000000 0.000000 
1 1 1    1    0   32 o  635.392   21.963  810.365   76.597  810.365   76.597  810.365   76.597  635.392   31.061  635.392   31.061 0.000000 0.000000 
1 1 1    1    0   33 o  196.026   27.622   85.713   26.529   85.713   26.529   85.713   26.529  196.026   39.063  196.026   39.063 0.000000 0.000000 
1 1 1    1    0   34 o  399.603   22.382  327.004   48.646  327.004   48.646  327.004   48.646  399.603   31.652  399.603   31.652 0.000000 0.000000 
1 1 1    1    0   35 f  289.260   57.444  225.209   79.377  225.209   79.377  225.209   79.377  289.260   81.239  289.260   81.239 -0.000000 0.000000 
1 1 1    1    0   36 o   33.169   16.645 -16.5835   12.877 -16.5835   12.877 -16.5835   12.877   33.169   23.540   33.169   23.540 0.000000 0.000000 
1 1 1    1    0   37 o   91.490   33.192   26.124   21.302   26.124   21.302   26.124   21.302   91.490   46.940   91.490   46.940 0.000000 0.000000 
1 1 1    1    1    1 f  611.412  111.908  798.541  257.169  798.541  257.169   0.0000   0.0000  611.412  111.908  ?   ?       ?      ? 
1 1 1    1    1    2 o  265.781   51.838  145.906   55.735  127.691   77.981  164.928   79.690  250.101   74.402  281.461   72.201 -31.36015 103.6752 
1 1 1    1    1    3 o  520.392   51.847  510.271   67.197  497.094   71.518  609.522  196.282  502.883   36.443  537.901   97.080 -35.01764 103.6946 
1 1 1    1    1    4 f  425.854   20.797  354.285   32.541  359.523   56.690  351.711   39.741  427.845   33.954  423.864   24.026 3.980530 41.59439 
1 1 1    1    1    5 o  1350.38   31.650  3594.95  166.591  3707.83  242.797  3494.54  228.998  1370.15   45.409  1330.61   44.101 39.53564 63.30002 
1 1 1    1    1    6 o  408.661   16.800  325.398   26.708  363.696   39.216  292.269   36.474  431.003   23.316  386.319   24.194 44.68408 33.59992 
1 1 1    1    1    7 o  914.786   23.870  1644.13   85.165  1681.77  122.955  1609.42  118.076  924.778   34.070  904.795   33.441 19.98322 47.73996 
1 1 1    1    1    8 o  350.324   16.401  240.370   22.417  247.628   31.940  233.323   31.471  355.546   23.020  345.103   23.369 10.44287 32.80241 
1 1 1    1    1    9 o  675.785   20.202  896.891   53.268  913.143   76.195  881.355   74.499  681.760   28.639  669.810   28.501 11.94989 40.40471 
1 1 1    1    1   10 o  507.712   18.051  505.673   35.746  526.461   51.436  486.254   49.713  517.804   25.455  497.621   25.600 20.18317 36.10129 
1 1 1    1    1   11 o  133.589   24.190   36.678   12.653   37.459   17.341   35.790   18.504  135.024   33.153  132.154   35.236 2.869797 48.38096 
1 1 1    1    1   12 o  601.919   23.871  733.980   53.471  773.507   67.383  666.764   87.870  625.974   27.584  577.864   38.966 48.11029 47.74123 
1 1 1    1    1   13 o  412.354   17.173  335.296   27.634  334.839   39.028  335.755   39.134  412.075   24.270  412.633   24.303 -0.5576782 34.34621 
1 1 1    1    1   14 o  421.444   17.274  350.256   28.408  348.001   39.974  352.557   40.380  420.082   24.384  422.807   24.473 -2.724640 34.54731 
1 1 1    1    1   15 o  734.534   21.241  1067.19   60.877  1052.91   85.230  1082.06   86.983  729.553   29.937  739.516   30.141 -9.963135 42.48162 
1 1 1    1    1   16 o  547.574   37.534  595.805   80.205  595.805   80.205   0.0000   0.0000  547.574   37.534  ?   ?       ?      ? 
1 1 1    1    1   17 o  907.828   23.903  1628.30   84.648  1663.71  121.783  1595.21  117.739  917.294   34.021  898.362   33.584 18.93219 47.80526 
1 1 1    1    1   18 o  510.829   18.298  512.690   36.474  521.918   51.827  503.634   51.341  515.399   25.768  506.260   25.987 9.138550 36.59675 
1 1 1    1    1   19 o  871.765   23.320  1498.90   79.330  1490.79  111.569  1507.19  112.820  869.408   32.884  874.122   33.074 -4.714783 46.63935 
1 1 1    1    1   20 f  944.549   24.537  1760.54   90.392  1721.47  125.246  1803.00  130.587  933.731   34.373  955.367   35.026 -21.63623 49.07471 
1 1 1    1    1   21 o  1608.58   36.955  5197.21  231.977  5194.77  327.911  5199.66  328.219  1608.21   52.249  1608.94   52.275 -0.7332764 73.90961 
1 1 1    1    1   22 o  432.414   17.802  367.550   30.038  370.406   42.295  364.643   42.666  434.135   24.965  430.693   25.385 3.442627 35.60450 
1 1 1    1    1   23 o  856.965   28.997  1418.44   88.746  1573.55  166.027  1356.39  105.006  885.531   48.044  828.398   32.482 57.13300 57.99440 
1 1 1    1    1   24 o  908.715   34.153  1635.70  121.112  1635.70  121.112   0.0000   0.0000  908.715   34.153  ?   ?       ?      ? 
1 1 1    1    1   25 o  453.063   18.449  404.053   32.601  392.238   45.192  416.873   47.074  446.188   25.954  459.939   26.227 -13.75122 36.89850 
1 1 1    1    1   26 o  369.762   18.274  269.985   26.354  277.462   37.044  262.322   37.501  375.034   25.311  364.490   26.365 10.54459 36.54839 
1 1 1    1    1   27 o  959.699   25.372  1846.36   95.020  1860.28  134.916  1832.66  133.847  963.282   35.890  956.116   35.873 7.166260 50.74419 
1 1 1    1    1   28 o  232.025   24.306  108.132   21.983  112.655   32.051  104.115   30.207  236.525   34.724  227.524   34.021 9.000717 48.61290 
1 1 1    1    1   29 o  225.251   23.531  102.329   20.365  104.032   31.781  101.143   26.527  226.165   36.009  224.336   30.301 1.828262 47.06140 
1 1 1    1    1   30 o  164.475   23.136   55.748   14.557   67.183   21.166   45.484   20.054  182.518   29.716  146.432   35.469 36.08591 46.27233 
1 1 1    1    1   31 o  224.359   22.977  104.399   19.341  124.068   27.408   84.887   27.298  248.102   28.308  200.615   36.201 47.48686 45.95487 
1 1 1    1    1   32 o  348.546   20.725  246.697   28.132  260.908   39.465  232.017   40.111  359.276   28.148  337.816   30.426 21.46057 41.44990 
1 1 1    1    1   33 o  429.740   21.713  378.349   36.369  375.655   50.159  381.335   52.809  428.603   29.989  430.877   31.407 -2.273773 43.42508 
1 1 1    1    1   34 o  288.846   22.992  173.732   25.913  170.129   36.566  177.366   36.728  285.678   32.800  292.013   32.230 -6.335083 45.98496 
1 1 1    1    1   35 o  232.884   48.925  140.630   51.933   72.158   69.295  228.369   78.441  172.991   68.712  292.777   69.665 -119.7857 97.85027 
1 1 1    1    1   36 o  143.784   28.034   47.089   16.475   37.420   24.862   54.659   21.998  130.268   42.531  157.299   36.536 -27.03046 56.06892 
1 1 1    1    1   37 o  214.313   26.285  100.307   21.471   99.511   31.275  101.017   29.530  211.088   39.416  217.538   34.785 -6.450500 52.56985 
1 1 1    1    2    0 o   76.527   21.679   5.4320   9.8380   5.5974   13.911   5.2665   13.915   76.758   30.690   76.296   30.628 0.4613800 43.35812 
1 1 1    1    2    1 o  303.853   45.786  180.962   49.989  161.410   60.494  223.060   88.765  280.199   57.258  327.506   71.462 -47.30771 91.57110 
1 1 1    1    2    2 o  358.155   51.151  265.421   66.509  271.970   81.760  252.610  114.350  370.056   56.617  346.254   85.207 23.80173 102.3015 
1 1 1    1    2    3 o  662.511   80.994  930.312  205.102  970.508  293.242  891.816  286.976  682.212  110.148  642.809  118.777 39.40289 161.9889 
1 1 1    1    2    4 o  1351.91  167.809  4739.13  866.906  4998.70  1250.67  4499.08  1202.72  1401.32  228.703  1302.50  245.630 98.82153 335.6179 
1 1 1    1    2    5 o  942.457   76.516  1837.60  174.919  1833.08  185.675  1873.27  521.509  962.136   49.452  922.778  144.822 39.35815 153.0320 
1 1 1    1    2    6 o  837.456   27.567  1410.90   88.144  1600.50  118.800  1178.71  131.468  902.388   33.736  772.525   43.609 129.8634 55.13480 
1 1 1    1    2    7 o  787.292   21.922  1216.80   67.331  1246.28   96.691  1189.04   93.815  796.529   31.107  778.055   30.898 18.47467 43.84420 
1 1 1    1    2    8 o  588.628   19.073  679.690   43.806  695.385   62.416  664.455   61.496  595.336   26.866  581.920   27.080 13.41614 38.14606 
1 1 1    1    2    9 f  290.653   15.856  165.582   17.962  176.669   25.585  154.807   25.222  300.280   21.834  281.025   22.998 19.25562 31.71194 
1 1 1    1    2   10 o  216.835   19.595   94.508   15.629   86.046   26.369   99.090   19.405  208.880   32.350  224.790   22.121 -15.90996 39.18977 
1 1 1    1    2   11 o  235.752   19.270  106.057   16.594  100.232   19.947  119.146   29.901  225.913   22.626  245.591   31.200 -19.67789 38.54012 
1 1 1    1    2   12 o  382.874   21.413  300.871   29.978  325.376   37.410  256.905   50.110  406.551   23.580  359.197   35.749 47.35477 42.82506 
1 1 1    1    2   13 o  558.375   18.828  616.121   41.023  609.412   57.600  623.028   58.441  555.303   26.580  561.448   26.673 -6.144348 37.65604 
1 1 1    1    2   14 o  269.581   16.402  142.899   17.234  133.478   23.870  153.157   24.908  260.283   23.500  278.879   22.887 -18.59671 32.80369 
1 1 1    1    2   15 o  459.566   25.088  417.565   44.833  372.475   61.148  469.983   65.929  432.705   36.213  486.428   34.732 -53.72278 50.17624 
1 1 1    1    2   16 o  1081.81   38.747  2345.07  162.267  2177.29  213.747  2573.30  249.293  1038.09   52.764  1125.52   56.758 -87.43481 77.49460 
1 1 1    1    2   17 o  674.823   20.422  896.830   53.772  890.501   75.295  903.418   76.820  672.434   28.693  677.211   29.068 -4.776978 40.84445 
1 1 1    1    2   18 o  369.867   17.161  268.599   24.733  287.942   35.254  249.849   34.709  383.045   23.584  356.689   24.936 26.35648 34.32233 
1 1 1    1    2   19 o  1241.80   29.878  3061.74  144.766  3107.54  206.846  3017.75  202.678  1250.83   42.375  1232.76   42.131 18.07825 59.75504 
1 1 1    1    2   20 o  485.383   18.263  462.783   34.583  461.660   48.292  463.965   49.548  484.816   25.525  485.949   26.128 -1.132782 36.52671 
1 1 1    1    2   21 o  756.003   21.687  1126.61   63.978  1129.85   90.173  1123.32   90.788  757.136   30.519  754.869   30.820 2.266235 43.37333 
1 1 1    1    2   22 o  373.296   17.628  271.924   25.587  246.730   34.575  302.429   38.046  354.308   25.006  392.284   24.853 -37.97595 35.25571 
1 1 1    1    2   23 o  599.479   24.337  699.005   53.495  748.068   94.658  675.983   64.843  613.273   39.552  585.684   28.370 27.58881 48.67496 
1 1 1    1    2   24 o  477.710   24.903  440.690   40.965  427.843   47.489  478.050   80.982  466.185   26.104  489.235   42.417 -23.05078 49.80538 
1 1 1    1    2   25 o  743.169   21.841  1091.94   63.298  1072.83   87.601  1112.81   91.563  736.507   30.479  749.832   31.291 -13.32532 43.68206 
1 1 1    1    2   26 o  437.627   19.009  379.072   32.403  394.056   45.110  363.098   46.575  446.779   25.873  428.474   27.854 18.30420 38.01709 
1 1 1    1    2   27 o  523.898   19.781  544.327   40.352  539.738   55.161  549.610   59.185  521.797   27.089  525.998   28.833 -4.201538 39.56245 
1 1 1    1    2   28 o  542.239   37.951  596.069   80.305   0.0000   0.0000  596.069   80.305  ?   ?   542.239   37.951      ?      ? 
1 1 1    1    2   29 f  351.224   23.188  243.025   30.991  277.384   50.919  222.807   39.059  369.480   35.315  332.968   30.060 36.51184 46.37596 
1 1 1    1    2   30 f  128.082   25.526   35.030   13.613   25.325   20.395   42.829   18.282  113.733   38.557  142.430   33.461 -28.69755 51.05167 
1 1 1    1    2   31 o  358.845   20.490  261.287   28.532  279.452   39.343  241.135   41.439  372.846   27.040  344.843   30.793 28.00287 40.98050 
1 1 1    1    2   32 o  370.679   20.880  279.510   30.093  289.383   41.337  268.378   43.893  378.381   27.995  362.977   30.988 15.40454 41.76041 
1 1 1    1    2   33 o  291.878   22.571  173.018   25.140  128.845   33.682  228.581   37.776  248.988   34.665  334.767   28.916 -85.77950 45.14176 
1 1 1    1    2   34 o  254.039   23.979  135.052   23.735  125.232   33.036  145.528   34.122  244.105   34.681  263.974   33.124 -19.86891 47.95763 
1 1 1    1    2   35 o  175.907   47.358   76.434   43.547   76.970   52.597   75.266   77.648  175.633   61.816  176.181   71.763 -0.5483704 94.71577 
1 1 1    1    2   36 o  285.677   21.985  169.511   24.449  186.186   35.888  155.070   33.397  298.921   30.765  272.432   31.414 26.48898 43.96950 
1 1 1    1    2   37 o  314.047   22.792  206.884   27.851  225.828   41.294  191.075   37.723  327.071   32.353  301.022   32.113 26.04886 45.58437 
1 1 1    1    3    0 o  377.760   52.062  289.348   71.068  283.649   86.818  300.924  123.732  377.600   58.918  377.921   85.851 -0.3206482 104.1236 
1 1 1    1    3    1 o  900.131   65.959  1658.80  231.684  1674.99  328.222  1642.72  327.083  904.648   92.973  895.614   93.585 9.033813 131.9170 
1 1 1    1    3    2 o   95.621   24.483   14.777   11.772   16.403   16.626   13.142   16.671   98.131   34.731   93.110   34.516 5.020973 48.96587 
1 1 1    1    3    3 o  817.108   94.682  1447.75  294.841  1599.19  429.844  1313.19  405.185  865.217  127.308  768.999  140.184 96.21777 189.3643 
1 1 1    1    3    4 o  352.031   60.039  261.867   81.529  257.797  115.074  265.968  115.528  349.225   85.196  354.838   84.620 -5.612976 120.0782 
1 1 1    1    3    5 o  668.344   82.131  956.258  209.928  982.464  298.976  930.773  294.833  682.944  112.181  653.744  119.990 29.19989 164.2622 
1 1 1    1    3    6 o  454.413   49.706  392.616   54.057  384.011   57.223  463.977  164.792  441.994   33.176  466.831   93.714 -24.83716 99.41285 
1 1 1    1    3    7 o  815.641   66.624  1386.22  103.960  1387.29  107.683  1371.60  398.813  839.885   32.854  791.398  129.135 48.48682 133.2484 
1 1 1    1    3    8 o  962.837   29.128  1849.88  108.361  2095.45  150.981  1589.00  155.615  1030.43   37.547  895.246   44.543 135.1807 58.25649 
1 1 1    1    3    9 o  153.173   24.004   48.908   14.586   68.431   20.116   27.261   21.181  186.612   27.623  119.733   39.265 66.87887 48.00752 
1 1 1    1    3   10 o  413.382   21.504  347.309   32.602  371.217   40.621  304.035   54.651  434.795   23.941  391.969   35.729 42.82547 43.00817 
1 1 1    1    3   11 o  316.896   21.132  207.220   24.183  225.312   29.901  173.006   41.119  338.616   22.628  295.176   35.697 43.43933 42.26476 
1 1 1    1    3   12 o  265.088   21.298  145.210   20.127  155.725   24.527  123.527   35.219  281.320   22.341  248.856   36.266 32.46460 42.59545 
1 1 1    1    3   13 o  446.865   21.499  397.660   35.539  391.646   60.532  400.823   43.903  443.063   35.010  450.667   24.963 -7.604584 42.99832 
1 1 1    1    3   14 o  225.169   16.817   99.982   14.758  102.499   20.525   97.289   21.235  228.171   23.051  222.168   24.492 6.002487 33.63380 
1 1 1    1    3   15 o  887.075   47.691  1585.37  165.092   0.0000   0.0000  1585.37  165.092  ?   ?   887.075   47.691      ?      ? 
1 1 1    1    3   16 o  334.037   32.652  220.579   42.563   0.0000   0.0000  220.579   42.563  ?   ?   334.037   32.652      ?      ? 
1 1 1    1    3   17 o  442.655   17.695  384.991   30.564  391.905   43.283  378.114   43.166  446.643   24.833  438.667   25.216 7.975586 35.39069 
1 1 1    1    3   18 o  166.846   18.085   58.288   10.669   86.564   15.251   31.186   14.931  210.258   18.587  123.435   31.030 86.82349 36.17088 
1 1 1    1    3   19 o  634.592   20.000  787.229   49.377  866.933   73.153  720.526   66.921  663.926   28.235  605.257   28.333 58.66895 39.99934 
1 1 1    1    3   20 o  531.912   18.929  553.615   39.168  619.576   57.378  496.059   53.598  561.532   26.184  502.292   27.344 59.23962 37.85885 
1 1 1    1    3   21 o  493.932   18.674  480.099   35.961  500.313   50.615  459.494   51.102  504.539   25.707  483.325   27.094 21.21323 37.34846 
1 1 1    1    3   22 o  996.110   31.405  1994.66  116.405  1934.15  194.895  2028.22  145.136  980.718   50.924  1011.50   36.769 -30.78473 62.81082 
1 1 1    1    3   23 o  890.320   30.585  1528.34   95.039  1464.28  110.780  1706.93  184.968  860.455   32.991  920.186   51.510 -59.73175 61.16930 
1 1 1    1    3   24 o  468.393   25.704  387.631   38.590  355.775   42.853  524.256   88.747  425.125   25.831  511.662   44.447 -86.53775 51.40741 
1 1 1    1    3   25 o  1423.37   33.881  4089.45  188.181  4097.30  264.795  4081.43  267.482  1425.05   47.615  1421.70   48.212 3.352295 67.76156 
1 1 1    1    3   26 o  553.468   20.357  605.469   43.733  595.314   58.671  618.167   65.603  548.640   27.403  558.295   30.111 -9.654846 40.71383 
1 1 1    1    3   27 o  335.438   21.254  227.697   26.903  240.478   34.553  208.022   42.871  348.544   25.403  322.332   34.082 26.21164 42.50805 
1 1 1    1    3   28 o  432.273   29.469  373.443   49.711   0.0000   0.0000  373.443   49.711  ?   ?   432.273   29.469      ?      ? 
1 1 1    1    3   29 o  302.021   20.062  184.468   23.416  205.750   32.402  161.204   33.877  321.099   25.858  282.942   30.682 38.15680 40.12491 
1 1 1    1    3   30 o  332.455   20.184  223.493   26.016  233.533   35.385  211.679   38.384  341.303   26.567  323.608   30.394 17.69470 40.36869 
1 1 1    1    3   31 o   66.622   20.327   0.7791   8.8830 -11.5854   18.636   4.4143   10.105   67.989   31.141   65.255   26.133 2.734222 40.65358 
1 1 1    1    3   32 o  345.481   20.957  243.168   28.103  251.253   38.258  233.693   41.416  352.550   27.808  338.411   31.361 14.13882 41.91424 
1 1 1    1    3   33 o  566.344   22.048  655.561   48.366  627.198   64.070  693.135   73.744  553.577   29.658  579.112   32.631 -25.53442 44.09543 
1 1 1    1    3   34 o  115.540   29.607   27.535   17.211 -14.9376   42.148   36.034   18.855  102.594   46.933  128.487   36.106 -25.89331 59.21455 
1 1 1    1    3   35 o  252.757   40.481  209.422   36.874  235.064   39.709   48.828   99.376  336.582   30.232  168.931   75.106 167.6511 80.96202 
1 1 1    1    3   36 o  380.254   22.087  301.681   32.493  354.134   46.996  253.641   44.975  413.535   29.122  346.974   33.216 66.56158 44.17398 
1 1 1    1    3   37 f  253.073   24.177  135.306   23.755  149.274   35.880  124.406   31.696  264.211   34.799  241.936   33.572 22.27477 48.35350 
1 1 1    1    4    0 o  117.151   27.733   25.400   14.923   24.808   21.060   25.997   21.148  116.220   39.182  118.083   39.259 -1.863403 55.46564 
1 1 1    1    4    1 f  607.138   50.267  740.043  118.981  786.990  171.001  695.985  165.656  626.055   69.993  588.222   72.166 37.83276 100.5335 
1 1 1    1    4    2 o  135.622   31.796   33.179   18.746   39.634   32.620   29.996   22.906  145.727   48.765  125.518   40.816 20.20980 63.59260 
1 1 1    1    4    3 o  494.858   59.896  514.519  105.743  531.613  130.401  481.693  180.701  515.336   64.843  474.381  100.724 40.95502 119.7912 
1 1 1    1    4    4 o  896.897  103.234  1784.55  351.924  2041.88  520.316  1567.55  477.791  965.849  138.047  827.945  153.532 137.9032 206.4676 
1 1 1    1    4    5 o  919.221  104.248  1890.26  373.930  1861.02  526.227  1920.07  531.445  911.655  147.915  926.787  146.942 -15.13165 208.4964 
1 1 1    1    4    6 o  947.300  108.654  2049.56  401.576  2108.07  573.122  1993.12  562.846  961.383  152.763  933.217  154.552 28.16614 217.3084 
1 1 1    1    4    7 o  312.674   57.221  207.919   70.374  212.804   99.827  203.093   99.223  316.294   80.634  309.054   81.211 7.239960 114.4423 
1 1 1    1    4    8 o  235.200   49.753  114.437   49.215  111.788   69.594  117.087   69.606  232.874   70.517  237.525   70.206 -4.650833 99.50660 
1 1 1    1    4    9 o  531.878   26.185  555.874   54.349  555.874   54.349   0.0000   0.0000  531.878   26.185  ?   ?       ?      ? 
1 1 1    1    4   10 o  381.809   21.282  295.705   29.700  312.995   36.770  263.252   50.377  399.135   23.607  364.483   35.418 34.65170 42.56429 
1 1 1    1    4   11 o  653.773   23.731  865.459   59.226  967.358   79.317  737.041   89.042  699.548   29.055  607.998   37.528 91.55048 47.46113 
1 1 1    1    4   12 o  234.908   23.994  123.697   18.712  144.984   23.011   82.137   32.152  271.444   21.723  198.371   42.790 73.07365 47.98861 
1 1 1    1    4   13 o  272.877   19.528  142.538   19.922  163.769   34.316  131.745   24.467  287.282   30.610  258.472   24.257 28.80969 39.05587 
1 1 1    1    4   14 o  261.846   19.234  131.600   18.810  123.128   23.114  148.210   32.365  250.087   23.684  273.604   30.313 -23.51770 38.46780 
1 1 1    1    4   15 o  575.936   23.453  649.260   49.402  678.459   87.365  635.535   59.897  583.937   38.339  567.935   27.026 16.00153 46.90672 
1 1 1    1    4   16 o  864.670   28.598  1473.69   90.130  1449.79  109.092  1525.10  159.975  856.594   32.635  872.746   46.971 -16.15186 57.19595 
1 1 1    1    4   17 f  578.193   19.256  655.722   43.386  703.213   63.171  613.317   59.692  597.984   27.070  558.403   27.393 39.58087 38.51193 
1 1 1    1    4   18 o  435.282   17.962  372.518   30.476  387.359   42.727  357.149   43.482  444.199   24.649  426.365   26.133 17.83386 35.92367 
1 1 1    1    4   19 o  1605.92   36.993  5169.00  231.788  5128.27  324.091  5211.65  331.634  1599.78   51.913  1612.07   52.716 -12.29187 73.98624 
1 1 1    1    4   20 o  948.128   24.775  1771.96   91.528  1857.76  134.054  1697.05  125.273  969.434   35.435  926.821   34.636 42.61298 49.55072 
1 1 1    1    4   21 o  847.652   23.302  1418.70   77.054  1405.32  107.397  1432.89  110.617  843.637   32.622  851.666   33.283 -8.028992 46.60376 
1 1 1    1    4   22 o  424.290   22.346  345.689   35.827  394.046   60.043  318.953   44.645  446.219   34.481  402.362   28.433 43.85672 44.69210 
1 1 1    1    4   23 o  565.951   27.861  634.684   52.638  632.318   60.438  642.119  107.121  566.600   27.334  565.303   48.558 1.297058 55.72289 
1 1 1    1    4   24 o  165.080   22.394   55.725   13.893   58.542   19.477   52.807   19.824  169.640   30.544  160.519   32.756 9.120712 44.78748 
1 1 1    1    4   25 f  915.871   35.697  1669.19  127.585   0.0000   0.0000  1669.19  127.585  ?   ?   915.871   35.697      ?      ? 
1 1 1    1    4   26 o  525.693   30.429  548.686   62.423   0.0000   0.0000  548.686   62.423  ?   ?   525.693   30.429      ?      ? 
1 1 1    1    4   27 o  279.744   21.054  159.131   22.354  173.731   29.330  138.898   34.528  296.156   25.378  263.331   33.600 32.82523 42.10723 
1 1 1    1    4   28 o  316.984   24.514  207.596   29.387  179.165   45.563  227.848   38.454  296.406   39.391  337.562   29.192 -41.15637 49.02831 
1 1 1    1    4   29 o  235.873   20.630  111.791   18.983  111.496   26.510  112.100   27.196  235.635   28.829  236.111   29.516 -0.4757690 41.25943 
1 1 1    1    4   30 o  523.173   36.965  611.188   55.604  623.815   61.460  554.245  130.519  556.678   28.292  489.668   68.303 67.00922 73.93049 
1 1 1    1    4   31 o  785.011   24.270  1262.34   74.084  1260.99  100.686  1263.94  109.397  786.152   32.819  783.870   35.763 2.281677 48.53960 
1 1 1    1    4   32 o  207.024   25.405   89.836   20.086   90.891   29.145   88.882   27.719  206.347   37.578  207.700   34.199 -1.353271 50.81031 
1 1 1    1    4   33 o  338.294   48.288  354.960   44.505  381.121   47.903  189.957  120.303  432.046   28.412  244.542   92.302 187.5043 96.57624 
1 1 1    1    4   34 o  176.412   33.548   71.632   21.542   70.304   43.919   72.053   24.719  170.883   56.564  181.941   36.090 -11.05795 67.09648 
1 1 1    1    4   35 o   98.031   34.933 -29.6967   20.293 -30.1379   20.915 -22.6049   83.857   60.434   29.208  135.628   63.468 -75.19469 69.86640 
1 1 1    1    4   36 o  125.210   28.862   32.943   15.340   38.465   27.498   30.449   18.483  132.058   44.770  118.361   36.439 13.69698 57.72486 
1 1 1    1    5    0 o  126.666   29.127   30.504   16.524   27.774   23.243   33.294   23.495  122.557   41.163  130.775   41.219 -8.217621 58.25309 
1 1 1    1    5    1 o  880.968   66.015  1595.41  226.661  1710.69  327.731  1489.70  313.817  912.049   92.081  849.886   94.620 62.16254 132.0295 
1 1 1    1    5    2 o  549.624   47.241  605.915  101.198  649.301  145.331  565.078  140.998  569.018   65.448  530.231   68.142 38.78705 94.48198 
1 1 1    1    5    3 o  828.930   85.992  1534.74  252.383  1664.61  316.804  1309.12  417.549  899.567   90.245  758.293  146.406 141.2738 171.9850 
1 1 1    1    5    4 o  399.765   63.444  340.543   96.612  371.025  138.509  311.661  134.826  418.042   87.702  381.488   91.699 36.55344 126.8871 
1 1 1    1    5    5 o  776.337   93.255  1336.94  276.420  1429.46  398.708  1251.31  383.565  809.582  126.201  743.092  137.330 66.49005 186.5105 
1 1 1    1    5    6 o  441.206   95.270  420.506  159.232  420.506  159.232   0.0000   0.0000  441.206   95.270  ?   ?       ?      ? 
1 1 1    1    5    7 o  329.086   83.177  232.459  106.870  232.459  106.870   0.0000   0.0000  329.086   83.177  ?   ?       ?      ? 
1 1 1    1    5    8 o  531.695  106.981  630.121  214.285  630.121  214.285   0.0000   0.0000  531.695  106.981  ?   ?       ?      ? 
1 1 1    1    5    9 o  509.676   53.859  516.797   64.831  507.965   68.663  589.371  196.827  506.656   34.728  512.696  101.966 -6.039154 107.7176 
1 1 1    1    5   10 o  203.070   35.612   85.892   22.847   87.547   24.937   77.243   57.004  210.412   30.370  195.727   64.425 14.68501 71.22410 
1 1 1    1    5   11 o  297.089   41.664  217.268   27.512  224.936   28.912  143.832   89.473  338.137   21.911  256.041   80.397 82.09531 83.32880 
1 1 1    1    5   12 o  409.704   48.601  354.284   39.102  353.258   40.647  367.025  143.225  423.149   24.615  396.259   94.034 26.88986 97.20231 
1 1 1    1    5   13 f  332.304   86.365  251.510  113.024   0.0000   0.0000  251.510  113.024  ?   ?   332.304   86.365      ?      ? 
1 1 1    1    5   14 o   82.040   22.952   3.2970   11.927 -11.1140   17.135   16.840   16.611   65.770   30.025   98.310   34.724 -32.54027 45.90440 
1 1 1    1    5   15 o  394.728   24.445  309.191   37.580  293.463   53.869  324.102   52.452  384.704   35.883  404.753   33.208 -20.04883 48.89095 
1 1 1    1    5   16 o  189.457   25.642   76.084   15.814   79.594   18.210   65.316   31.896  201.359   23.174  177.555   45.749 23.80460 51.28372 
1 1 1    1    5   17 o  661.016   20.265  858.671   52.238  899.545   75.463  821.063   72.386  676.111   28.601  645.921   28.717 30.18939 40.53023 
1 1 1    1    5   18 o  527.962   18.725  546.394   38.508  595.091   55.847  502.256   53.169  550.401   26.001  505.523   26.952 44.87741 37.44948 
1 1 1    1    5   19 o  693.180   20.917  944.059   56.529  998.370   81.933  894.722   78.092  712.191   29.480  674.169   29.683 38.02203 41.83490 
1 1 1    1    5   20 o  811.790   22.754  1297.25   72.004  1373.06  104.668  1229.14   99.210  834.264   32.150  789.316   32.209 44.94800 45.50843 
1 1 1    1    5   21 o  340.107   21.589  226.972   28.065  233.768   44.711  222.553   36.051  343.943   33.311  336.271   27.473 7.672638 43.17865 
1 1 1    1    5   22 f  520.977   19.592  534.788   39.693  537.412   54.006  531.706   58.536  522.577   26.483  519.378   28.881 3.199036 39.18444 
1 1 1    1    5   23 o  955.774   33.149  1713.12  105.580  1611.00  119.677  2071.58  224.230  901.972   34.000  1009.58   56.915 -107.6027 66.29702 
1 1 1    1    5   24 o  732.135   22.455  1052.25   63.620  999.000   83.874  1124.40   97.628  710.977   30.230  753.292   33.211 -42.31573 44.90904 
1 1 1    1    5   25 o  1029.84   26.910  2113.34  107.809  2056.62  146.004  2181.35  159.867  1015.43   36.845  1044.25   39.230 -28.82214 53.82003 
1 1 1    1    5   26 o  346.678   21.345  245.639   27.908  274.737   36.600  205.218   43.138  372.868   25.153  320.487   34.492 52.38110 42.68913 
1 1 1    1    5   27 o  458.469   20.798  405.157   36.192  363.730   45.299  478.273   60.180  427.856   27.130  489.081   31.531 -61.22488 41.59642 
1 1 1    1    5   28 o  401.769   25.357  329.565   38.918  315.553   60.793  339.295   50.660  392.782   39.662  410.756   31.605 -17.97418 50.71394 
1 1 1    1    5   29 o  640.314   33.943  833.506   84.816   0.0000   0.0000  833.506   84.816  ?   ?   640.314   33.943      ?      ? 
1 1 1    1    5   30 o  422.781   21.196  357.444   34.376  340.825   44.279  382.655   54.537  411.690   27.561  433.872   32.211 -22.18213 42.39269 
1 1 1    1    5   31 o  229.038   22.999  106.945   20.371  126.374   29.494   89.222   28.170  249.583   30.282  208.492   34.623 41.09189 45.99702 
1 1 1    1    5   32 o  317.269   21.551  206.346   26.547  219.949   36.672  191.368   38.481  329.160   28.549  305.378   32.291 23.78235 43.10135 
1 1 1    1    5   33 o  336.983   26.342  234.722   33.705  262.919   55.471  218.219   42.438  350.268   40.582  323.698   33.595 26.57034 52.68370 
1 1 1    1    5   34 o  263.900   23.544  145.251   24.074  170.372   35.296  123.400   32.919  286.027   31.622  241.773   34.890 44.25389 47.08789 
1 1 1    1    5   35 o  139.824   42.458   29.431   26.704   30.596   27.671   13.638  101.863  122.645   44.632  157.002   72.241 -34.35759 84.91589 
1 1 1    1    5   36 o  349.035   43.788  392.912   48.075  473.926   55.731  157.324   95.039  477.231   29.925  220.840   82.304 256.3902 87.57522 
1 1 1    1    6    0 o  310.924   49.814  202.682   56.570  204.955   69.373  198.169   97.733  315.620   58.477  306.229   80.661 9.391388 99.62857 
1 1 1    1    6    1 o  522.715   61.812  575.821  115.138  588.745  141.667  550.671  197.620  540.766   67.131  504.664  103.810 36.10275 123.6248 
1 1 1    1    6    2 f  126.530   31.661   28.014   19.047   31.731   23.201   20.330   33.358  128.179   41.020  124.881   48.238 3.297867 63.32103 
1 1 1    1    6    3 o  631.271   74.541  809.864  183.631  809.864  183.631   0.0000   0.0000  631.271   74.541  ?   ?       ?      ? 
1 1 1    1    6    4 o  180.614   50.397   66.809   36.870   66.809   36.870   0.0000   0.0000  180.614   50.397  ?   ?       ?      ? 
1 1 1    1    6    5 o  728.866   88.597  1174.52  245.209  1365.69  362.698  1013.58  332.785  792.268  117.312  665.464  132.800 126.8036 177.1945 
1 1 1    1    6    6 o  821.497  100.465  1562.79  314.125  1762.88  461.504  1390.07  428.780  880.483  134.315  762.511  149.441 117.9716 200.9302 
1 1 1    1    6    7 o  475.940   71.007  501.610  127.736  486.831  179.644  516.723  181.665  468.221  101.263  483.659   99.568 -15.43811 142.0144 
1 1 1    1    6    8 o  151.166   36.913   41.466   26.737   52.255   38.185   31.088   37.450  162.879   52.677  139.453   51.725 23.42618 73.82693 
1 1 1    1    6    9 o  303.353   81.323  203.432   98.236   0.0000   0.0000  203.432   98.236  ?   ?   303.353   81.323      ?      ? 
1 1 1    1    6   10 o  375.366   47.544  288.971   45.236  285.117   48.361  315.941  127.932  378.872   32.709  371.861   89.286 7.011108 95.08887 
1 1 1    1    6   11 o  543.948   58.281  650.992   74.954  650.834   79.866  652.158  217.076  570.872   35.850  517.025  110.913 53.84662 116.5627 
1 1 1    1    6   12 o  314.614   83.924  224.882  104.938   0.0000   0.0000  224.882  104.938  ?   ?   314.614   83.924      ?      ? 
1 1 1    1    6   13 o  187.640   33.537   78.141   22.899   86.017   26.093   51.745   47.771  208.308   32.098  166.972   58.896 41.33589 67.07458 
1 1 1    1    6   14 o  252.839   40.718  131.727   32.018  131.828   35.285  131.257   76.189  257.825   35.070  247.853   73.498 9.971329 81.43636 
1 1 1    1    6   15 o  346.949   19.319  254.857   24.226  320.344   31.916  165.841   37.211  404.211   20.234  289.687   32.916 114.5237 38.63784 
1 1 1    1    6   16 f  1257.23   35.493  3201.04  170.271  3348.09  222.141  2991.59  265.118  1296.52   43.905  1217.95   55.780 78.56238 70.98641 
1 1 1    1    6   17 o  305.267   22.571  189.305   24.340  197.754   29.210  170.110   44.027  317.461   23.578  293.073   38.496 24.38873 45.14256 
1 1 1    1    6   18 o  840.605   27.479  1369.77   84.208  1318.57  101.432  1483.30  151.052  817.940   31.778  863.269   44.838 -45.32947 54.95708 
1 1 1    1    6   19 o  1090.43   32.234  2378.40  131.802  2402.10  165.564  2337.39  217.786  1101.15   38.529  1079.72   51.687 21.42346 64.46777 
1 1 1    1    6   20 o  286.625   43.004  221.605   37.478  249.932   41.086   81.248   91.456  356.181   29.559  217.068   80.769 139.1133 86.00826 
1 1 1    1    6   21 o  648.339   26.845  746.624   57.029  681.786   63.831  1003.11  126.957  588.438   27.797  708.239   45.935 -119.8013 53.69088 
1 1 1    1    6   22 o  723.458   29.217  904.121   66.332  821.729   73.019  1293.15  158.668  645.581   28.984  801.335   50.739 -155.7534 58.43380 
1 1 1    1    6   23 o  549.127   20.393  575.862   42.830  504.477   54.359  692.729   69.552  505.947   27.532  592.308   30.091 -86.36066 40.78536 
1 1 1    1    6   24 o  668.060   21.879  881.366   56.695  867.506   75.864  898.899   85.327  662.592   29.340  673.528   32.464 -10.93597 43.75748 
1 1 1    1    6   25 o  172.920   22.106   60.564   14.379   78.492   20.906   44.470   19.808  199.309   26.879  146.531   35.102 52.77736 44.21148 
1 1 1    1    6   26 o  286.652   20.467  161.859   22.780  149.957   30.414  177.071   34.383  274.851   28.356  298.453   29.521 -23.60214 40.93343 
1 1 1    1    6   27 o  489.506   26.001  483.518   48.367  488.197   77.817  480.572   61.741  489.497   40.737  489.515   32.320 -0.1806641E-01 52.00125 
1 1 1    1    6   28 o  376.418   20.713  286.413   30.092  303.331   40.503  265.567   44.959  389.813   26.626  363.024   31.736 26.78891 41.42573 
1 1 1    1    6   29 o  536.979   21.845  580.716   45.134  569.873   58.892  596.150   70.261  532.406   28.345  541.552   33.246 -9.146667 43.68936 
1 1 1    1    6   30 o  138.575   24.810   37.205   13.336   58.289   22.304   25.473   16.638  165.755   35.548  111.395   34.619 54.35948 49.62011 
1 1 1    1    6   32 o  251.795   30.131  146.176   27.077   95.075   41.341  184.568   35.833  203.241   51.932  300.348   30.572 -97.10674 60.26263 
1 1 1    1    6   33 f  374.449   26.527  296.737   38.016  301.414   59.888  293.580   49.201  373.954   41.038  374.945   33.626 -0.9908752 53.05491 
1 1 1    1    6   34 o  120.181   25.596   32.558   15.306  -1.9580   26.871   49.135   18.622   89.567   39.474  150.796   32.595 -61.22874 51.19228 
1 1 1    1    6   35 o  162.220   44.062   52.399   28.078   50.234   29.533   72.760   90.559  148.016   46.143  176.424   75.077 -28.40791 88.12328 
1 1 1    1    6   36 o  256.974   24.199  137.824   24.051  162.249   36.999  119.950   31.651  276.284   34.317  237.663   34.127 38.62050 48.39712 
1 1 1    1    7    0 o  251.486   39.409  131.231   37.660  130.288   53.114  132.184   53.405  250.562   55.757  252.411   55.710 -1.848145 78.81890 
1 1 1    1    7    1 o  754.246   59.605  1173.47  175.329  1231.94  251.277  1117.99  244.758  773.031   83.296  735.462   85.280 37.56824 119.2092 
1 1 1    1    7    2 o  304.119   40.859  191.164   46.718  194.021   66.124  188.316   66.015  306.542   57.385  301.696   58.180 4.846466 81.71884 
1 1 1    1    7    3 o  1034.80   77.305  2296.97  311.402  2525.42  456.000  2097.33  426.277  1084.19  107.778  985.417  110.851 98.76746 154.6095 
1 1 1    1    7    4 f  409.011   55.561  365.610   81.820  399.724  101.824  303.443  137.455  445.619   58.554  372.403   94.444 73.21564 111.1228 
1 1 1    1    7    5 o  221.296   48.098  100.592   45.562   99.446   64.383  101.742   64.487  220.250   68.043  222.341   68.000 -2.091125 96.19688 
1 1 1    1    7    6 o  201.713   44.684   82.086   39.440   97.619   56.360   67.180   55.211  216.456   62.947  186.971   63.439 29.48500 89.36857 
1 1 1    1    7    7 o  392.142   64.358  342.004   96.725  378.266  139.049  308.009  134.636  413.672   88.791  370.612   93.187 43.06085 128.7156 
1 1 1    1    7    8 o  695.917   98.955  1235.42  259.421  1239.09  367.206  1231.76  366.550  697.094  139.849  694.740  140.037 2.354370 197.9099 
1 1 1    1    7    9 o  266.291   53.998  156.573   59.072  148.381   83.217  164.894   83.868  259.618   76.772  272.964   75.955 -13.34619 107.9959 
1 1 1    1    7   10 o  344.192   62.273  273.052   83.993  268.836  118.619  277.293  118.949  341.343   88.361  347.041   87.772 -5.697632 124.5456 
1 1 1    1    7   11 o  647.296   40.833  841.894  103.146  841.894  103.146   0.0000   0.0000  647.296   40.833  ?   ?       ?      ? 
1 1 1    1    7   12 o  302.567   44.022  191.035   39.167  190.225   42.946  195.040   95.488  309.137   35.599  295.996   80.526 13.14151 88.04417 
1 1 1    1    7   13 o  764.152   75.076  1250.05  121.940  1235.45  127.952  1394.56  402.562  786.442   41.691  741.861  144.247 44.58093 150.1511 
1 1 1    1    7   14 o  453.470   50.915  401.137   60.375  389.306   64.836  478.346  165.627  442.902   37.513  464.038   94.670 -21.13651 101.8308 
1 1 1    1    7   15 o  1197.01  118.100  3552.49  227.473  3555.29  234.571  3508.40  931.747  1334.93   45.028  1059.10  231.868 275.8268 236.1999 
1 1 1    1    7   16 o  360.755   42.715  386.966   36.083  431.250   39.075  130.605   94.017  469.026   21.349  252.485   82.720 216.5416 85.43028 
1 1 1    1    7   17 o  898.677   72.724  1615.70  115.375  1600.36  118.641  1882.90  495.127  900.536   33.760  896.817  141.475 3.719116 145.4476 
1 1 1    1    7   18 o  837.252   31.823  1387.78  103.669  1285.81  140.326  1510.31  153.823  803.683   44.743  870.821   45.265 -67.13782 63.64585 
1 1 1    1    7   19 o  257.966   27.365  115.820   25.081   87.632   29.516  189.042   47.572  207.232   37.895  308.700   39.490 -101.4681 54.73049 
1 1 1    1    7   20 o  789.809   27.459  1242.60   79.736  1251.76   97.867  1224.53  137.514  796.447   31.488  783.170   44.994 13.27637 54.91820 
1 1 1    1    7   21 o  486.186   27.484  410.760   40.969  378.875   44.855  571.201  100.618  438.828   26.193  533.544   48.325 -94.71536 54.96712 
1 1 1    1    7   22 o  447.377   29.858  428.391   42.556  453.837   48.804  347.651   86.934  480.208   26.043  414.545   53.738 65.66364 59.71635 
1 1 1    1    7   23 o  361.178   32.568  252.713   33.889  248.309   36.937  276.141   85.195  354.999   26.663  367.357   59.428 -12.35831 65.13534 
1 1 1    1    7   24 o  324.908   50.529  200.417   32.836  196.743   33.860  258.354  134.473  315.666   27.487  334.149   97.248 -18.48297 101.0576 
1 1 1    1    7   25 o  594.484   32.318  684.508   58.522  665.438   64.632  771.305  137.887  579.486   28.581  609.481   57.974 -29.99451 64.63579 
1 1 1    1    7   26 o  189.761   42.040   72.690   22.476   74.934   23.102   32.945   97.216  193.857   30.538  185.666   78.338 8.190628 84.07984 
1 1 1    1    7   27 o  283.086   48.038  242.328   56.745  292.176   61.753 -28.1469  143.845  377.517   41.917  188.655   86.450 188.8620 96.07587 
1 1 1    1    7   28 o  206.165   39.725  124.574   29.990  138.713   30.608 -215.3526  150.079  262.601   29.868  149.730   73.621 112.8708 79.44930 
1 1 1    1    7   29 o  111.254   25.081   24.970   11.949   24.424   20.167   25.265   14.833  112.123   38.339  110.385   32.347 1.738548 50.16242 
1 1 1    1    7   30 o  157.080   25.722   53.834   16.581   26.845   24.295   77.365   22.686  118.627   41.984  195.534   29.730 -76.90750 51.44456 
1 1 1    1    7   31 o  608.917   30.661  755.202   72.858  755.202   72.858   0.0000   0.0000  608.917   30.661  ?   ?       ?      ? 
1 1 1    1    7   32 o  356.661   24.553  249.889   33.164  335.673   55.584  202.470   41.326  400.989   35.521  312.334   33.906 88.65512 49.10572 
1 1 1    1    7   33 o  215.033   28.176  105.073   22.483   63.731   32.271  144.067   31.342  166.126   47.432  263.941   30.429 -97.81517 56.35299 
1 1 1    1    7   34 o  422.094   42.232  481.727   50.789  534.602   58.563  321.268  102.018  508.335   29.522  335.853   79.137 172.4818 84.46427 
1 1 1    1    7   35 o  264.802   24.070  147.305   24.794  160.171   36.894  136.709   33.481  275.085   34.368  254.518   33.709 20.56630 48.14012 
1 1 1    1    7   36 o  566.482   25.891  680.571   55.160  650.184   68.867  734.958   92.132  555.786   31.752  577.178   40.904 -21.39172 51.78162 
1 1 1    1    8    0 o  297.924   41.206  184.538   46.188  180.437   65.014  188.717   65.632  294.402   58.649  301.446   57.896 -7.043335 82.41149 
1 1 1    1    8    1 o  329.525   41.105  222.030   51.777  213.858   72.778  230.405   73.679  320.581   60.389  338.469   55.782 -17.88794 82.21007 
1 1 1    1    8    2 o  142.558   31.832   39.964   19.861   43.605   27.920   36.233   28.260  147.431   44.669  137.685   45.363 9.746475 63.66450 
1 1 1    1    8    3 o  306.411   39.233  192.122   45.932  201.819   65.205  182.572   64.712  316.923   52.722  295.899   58.115 21.02435 78.46658 
1 1 1    1    8    4 o  436.255   68.179  423.266  112.996  440.659  160.919  406.349  158.704  445.838   95.375  426.672   97.453 19.16599 136.3577 
1 1 1    1    8    5 o  307.731   56.858  206.620   69.268  232.207   99.299  182.367   96.674  326.341   78.852  289.121   81.937 37.21994 113.7164 
1 1 1    1    8    6 o  633.465   84.164  939.577  202.794  1128.80  302.059  784.296  273.633  702.124  110.242  564.805  127.205 137.3188 168.3284 
1 1 1    1    8    7 o  473.304   73.731  526.743  132.506  532.066  187.801  521.467  186.986  475.944  104.018  470.663  104.525 5.280640 147.4630 
1 1 1    1    8    8 o  143.280   51.715   36.200   37.041   0.0000   0.0000   36.200   37.041  ?   ?   143.280   51.715      ?      ? 
1 1 1    1    8    9 o  246.014   73.435  132.810   75.872   0.0000   0.0000  132.810   75.872  ?   ?   246.014   73.435      ?      ? 
1 1 1    1    8   10 o  237.261   50.869  122.135   51.191  123.469   72.619  120.817   72.173  238.411   71.997  236.111   71.882 2.301056 101.7381 
1 1 1    1    8   11 o  317.852   83.906  226.773  105.603  226.773  105.603   0.0000   0.0000  317.852   83.906  ?   ?       ?      ? 
1 1 1    1    8   12 o  253.656   39.625  131.206   30.291  130.455   33.187  134.951   74.133  256.644   33.137  250.668   71.990 5.975830 79.25052 
1 1 1    1    8   13 o  637.249   63.085  829.427   90.916  817.324   95.885  937.204  286.123  641.444   38.306  633.054  120.215 8.389771 126.1709 
1 1 1    1    8   14 o  767.131  144.690  1437.22  417.269   0.0000   0.0000  1437.22  417.269  ?   ?   767.131  144.690      ?      ? 
1 1 1    1    8   15 o  562.893   58.969  746.388   87.708  786.099   96.534  558.513  209.968  629.665   39.286  496.122  111.202 133.5427 117.9375 
1 1 1    1    8   16 o  1075.14   94.488  2486.80  165.358  2468.55  169.917  2813.26  718.709  1116.30   39.005  1033.97  184.908 82.33179 188.9768 
1 1 1    1    8   17 o  455.867   52.676  469.092   62.091  484.137   67.419  385.033  159.363  495.104   34.894  416.630   99.405 78.47415 105.3514 
1 1 1    1    8   18 o  343.996   45.559  293.892   34.193  305.820   36.015  184.892  108.871  394.772   23.378  293.219   88.067 101.5531 91.11703 
1 1 1    1    8   19 o  600.482   59.578  771.987   66.332  773.151   68.787  756.549  250.518  626.716   28.126  574.249  115.788 52.46735 119.1553 
1 1 1    1    8   20 o  519.422   26.832  530.930   54.387  530.930   54.387   0.0000   0.0000  519.422   26.832  ?   ?       ?      ? 
1 1 1    1    8   21 o  282.360   44.585  206.916   30.494  217.433   31.937   98.416  102.579  332.565   24.609  232.155   85.706 100.4094 89.16948 
1 1 1    1    8   22 o  717.604   70.768  1163.19   90.342  1167.53   93.562  1103.48  347.311  768.616   31.193  666.593  138.056 102.0236 141.5364 
1 1 1    1    8   23 o  916.705   85.394  1791.68  126.281  1770.78  129.636  2179.75  558.688  944.123   35.186  889.286  167.125 54.83722 170.7886 
1 1 1    1    8   24 o  278.930   43.610  195.391   31.525  205.501   33.414  113.524   95.087  322.578   26.544  235.283   83.082 87.29565 87.21938 
1 1 1    1    8   25 o  482.520   35.151  406.649   44.675  383.711   47.456  585.353  132.459  439.932   27.642  525.108   64.640 -85.17621 70.30224 
1 1 1    1    8   26 o  320.098   46.825  181.950   48.443  143.999   54.119  334.949  108.662  257.426   55.505  382.771   75.428 -125.3457 93.64973 
1 1 1    1    8   27 f  295.679   44.625  271.721   38.567  299.261   41.072   66.381  112.149  387.158   27.185  204.201   85.009 182.9567 89.24989 
1 1 1    1    8   28 o  289.643   48.236  183.613   32.498  181.562   33.845  207.848  116.346  300.472   28.864  278.815   92.053 21.65668 96.47193 
1 1 1    1    8   29 o  381.624   50.854  406.567   47.829  428.881   51.367  261.106  131.150  461.303   28.534  301.944   97.623 159.3593 101.7077 
1 1 1    1    8   30 o  100.157   33.795  -1.3245   17.271   3.2793   17.604 -119.6059   89.230   79.843   33.493  120.471   58.707 -40.62831 67.58949 
1 1 1    1    8   31 o  203.802   44.566   99.160   32.602  102.053   34.843   78.822   92.386  216.118   42.828  191.486   78.169 24.63187 89.13228 
1 1 1    1    8   32 o  296.461   45.499  230.119   37.273  235.706   40.107  194.729  100.944  338.439   30.367  254.482   85.781 83.95683 90.99799 
1 1 1    1    8   33 o  243.345   39.171  183.298   35.087  210.494   38.663   56.368   83.527  318.292   31.127  168.398   71.892 149.8943 78.34164 
1 1 1    1    8   34 o  251.242   47.590  118.064   31.412  104.085   32.949  257.460  104.045  216.426   40.501  286.057   86.133 -69.63100 95.17982 
1 1 1    1    8   35 o  239.620   41.495  199.785   39.528  219.016   40.930 -66.5393  152.316  322.738   32.498  156.502   76.362 166.2364 82.98950 
1 1 1    1    9    0 o  111.480   28.006   21.692   15.325   14.265   24.893   26.225   19.448  106.543   41.526  116.416   37.588 -9.872955 56.01131 
1 1 1    1    9    1 o  241.578   44.935  126.895   42.109  107.218   71.536  137.328   52.089  227.080   71.961  256.077   53.834 -28.99692 89.86926 
1 1 1    1    9    2 o  227.929   43.971  106.605   38.461  121.620   66.959   99.211   46.985  238.879   68.363  216.979   55.321 21.90024 87.94270 
1 1 1    1    9    3 o  385.828   52.415  306.137   72.942  355.729  129.138  282.902   88.393  400.635   85.219  371.020   61.051 29.61520 104.8306 
1 1 1    1    9    4 f  236.939   49.021  119.271   48.695  145.048   70.465   95.708   67.370  258.806   68.645  215.072   70.001 43.73427 98.04256 
1 1 1    1    9    5 o  228.074   43.545  114.541   39.230  126.564   48.637   92.154   66.366  244.946   52.463  211.201   69.514 33.74504 87.08920 
1 1 1    1    9    6 o  401.862   56.672  358.725   82.452  365.375  101.444  345.782  141.531  418.783   62.073  384.941   94.835 33.84201 113.3432 
1 1 1    1    9    7 o  349.735   61.492  280.038   83.927  321.993  121.158  241.335  116.367  376.483   84.536  322.986   89.323 53.49664 122.9833 
1 1 1    1    9    8 o  355.589   63.221  292.109   87.661  303.515  124.662  280.953  123.293  362.924   88.757  348.254   90.053 14.67014 126.4413 
1 1 1    1    9    9 o  323.489   59.773  236.889   76.356  251.124  108.786  223.067  107.199  333.387   83.731  313.591   85.325 19.79538 119.5460 
1 1 1    1    9   10 o  646.309   92.399  1040.92  225.017  1074.38  320.930  1008.57  315.582  657.991  129.596  634.627  131.739 23.36407 184.7983 
1 1 1    1    9   11 o  598.811  120.077  851.220  270.830  851.220  270.830   0.0000   0.0000  598.811  120.077  ?   ?       ?      ? 
1 1 1    1    9   12 o  243.186   50.996  125.122   51.909  132.446   74.019  118.034   72.816  249.425   72.023  236.948   72.216 12.47647 101.9921 
1 1 1    1    9   13 o  479.422   54.281  479.517   63.800  477.942   68.124  490.762  181.980  491.447   35.521  467.398  102.585 24.04935 108.5612 
1 1 1    1    9   14 o  570.094  112.483  734.843  241.359   0.0000   0.0000  734.843  241.359  ?   ?   570.094  112.483      ?      ? 
1 1 1    1    9   15 o  593.556   81.819  797.310  182.698  807.235  260.063  787.639  256.718  597.258  115.759  589.854  115.661 7.403748 163.6385 
1 1 1    1    9   16 o  259.817   55.458  142.181   60.783  136.324   91.553  146.798   81.280  256.363   81.427  263.271   75.312 -6.908142 110.9155 
1 1 1    1    9   17 o  636.939   61.453  881.132   73.602  885.001   76.473  832.497  271.130  670.528   29.225  603.349  119.381 67.17871 122.9059 
1 1 1    1    9   18 o  782.552   31.307  1207.75   95.606  1207.75   95.606   0.0000   0.0000  782.552   31.307  ?   ?       ?      ? 
1 1 1    1    9   19 o  479.132   26.234  451.528   49.051  451.528   49.051   0.0000   0.0000  479.132   26.234  ?   ?       ?      ? 
1 1 1    1    9   20 o  185.764   34.946   36.243   16.063   28.435   16.683  135.477   59.475  118.556   34.181  252.973   60.964 -134.4163 69.89207 
1 1 1    1    9   21 o  402.305   52.428  424.667   45.028  444.182   47.411  245.042  143.841  475.125   25.571  329.484  101.690 145.6416 104.8558 
1 1 1    1    9   22 o  807.458   79.539  1534.46  112.556  1542.84  116.608  1420.02  430.672  882.173   33.872  732.743  155.430 149.4305 159.0779 
1 1 1    1    9   23 o  335.501   51.451  280.090   37.838  288.108   39.399  184.866  135.772  382.136   26.420  288.866   99.452 93.27005 102.9014 
1 1 1    1    9   24 o  725.613   72.711  1111.54   88.312  1096.77   90.812  1368.69  378.939  742.749   31.331  708.476  142.006 34.27307 145.4211 
1 1 1    1    9   25 o  379.848   58.781  309.404   63.407  299.548   68.495  368.440  167.645  382.464   45.892  377.231  108.236 5.233459 117.5629 
1 1 1    1    9   26 o  305.508   52.807  241.964   36.442  247.234   37.542  155.923  151.693  352.218   27.313  258.797  102.021 93.42081 105.6138 
1 1 1    1    9   27 o  175.098   37.616   76.731   23.310   85.043   23.850 -100.7427  110.204  205.681   29.714  144.516   69.116 61.16519 75.23215 
1 1 1    1    9   28 o  192.274   47.776   63.262   23.037   62.144   23.470   92.774  120.541  171.245   36.251  213.303   88.409 -42.05885 95.55276 
1 1 1    1    9   29 o  258.258   46.692  165.773   32.876  169.224   34.390  129.147  112.050  288.971   30.496  227.545   88.264 61.42583 93.38428 
1 1 1    1    9   30 o  347.893   44.690  323.649   51.458  385.892   61.980  185.571   92.315  431.567   36.802  264.219   81.452 167.3479 89.37999 
1 1 1    1    9   31 o  261.080   39.854  216.717   36.274  249.383   39.596   46.197   90.467  349.741   29.012  172.419   74.240 177.3218 79.70768 
1 1 1    1    9   32 o  325.429   41.771  364.053   47.341  450.584   53.952   74.451   98.702  467.850   29.551  183.009   78.141 284.8411 83.54196 
1 1 1    1    9   33 o  220.479   43.707  137.166   33.792  143.925   35.379   66.834  114.129  260.999   34.736  179.960   80.217 81.03880 87.41441 
1 1 1    1    9   34 o  233.093   41.234  164.371   34.656  179.149   37.138   64.743   96.428  292.239   32.565  173.947   75.765 118.2927 82.46711 
1 1 1    1    9   35 o  162.737   45.742   56.919   30.186   58.585   31.046   28.114  129.097  157.896   46.939  167.578   78.524 -9.682343 91.48425 
1 1 1    1   10    0 o  153.925   33.477   48.182   22.056   46.545   30.603   49.952   31.816  151.492   46.930  156.358   47.754 -4.866013 66.95425 
1 1 1    1   10    1 o  504.820   47.802  535.379   93.977  490.735  130.423  583.586  135.530  482.012   69.337  527.629   65.822 -45.61639 95.60444 
1 1 1    1   10    2 o  114.259   28.472   23.264   15.779   23.971   21.680   22.467   23.010  114.613   39.724  113.905   40.801 0.7074814 56.94488 
1 1 1    1   10    3 o  530.939   49.167  595.894  101.555  535.728  140.279  662.156  147.212  501.528   71.675  560.350   67.321 -58.82224 98.33326 
1 1 1    1   10    4 o  186.610   38.820   74.268   29.691   80.390   36.686   62.646   50.549  195.141   48.409  178.080   60.700 17.06067 77.63917 
1 1 1    1   10    5 o  251.254   46.068  138.727   44.247  143.941   54.511  128.657   75.759  259.985   55.422  242.522   73.604 17.46339 92.13680 
1 1 1    1   10    6 o  540.065   68.248  694.588  131.148  756.539  164.122  585.146  218.140  596.443   70.513  483.686  116.872 112.7572 136.4961 
1 1 1    1   10    7 o  437.420   70.407  448.709  117.549  481.982  168.461  417.136  164.103  454.967   97.793  419.873  101.316 35.09387 140.8133 
1 1 1    1   10    8 o  110.862   30.015   17.262   18.171   15.154   25.679   19.376   25.716  108.399   42.197  113.325   42.698 -4.926178 60.03077 
1 1 1    1   10    9 o  273.351   54.531  162.956   60.696  165.542   85.993  160.389   85.683  275.411   77.008  271.291   77.228 4.120483 109.0615 
1 1 1    1   10   10 o  177.249   41.465   60.943   33.729   75.110   48.215   47.365   47.200  191.348   58.845  163.149   58.436 28.19917 82.93024 
1 1 1    1   10   11 o  437.440   68.505  427.459  113.885  451.400  162.696  404.459  159.469  450.446   95.518  424.434   98.225 26.01205 137.0104 
1 1 1    1   10   12 o  423.450   67.311  397.271  108.524  401.881  153.976  392.721  152.980  426.025   95.032  420.875   95.352 5.150513 134.6220 
1 1 1    1   10   13 o  631.359   85.458  914.024  202.882  900.656  286.106  927.544  287.737  626.130  121.475  636.587  120.233 -10.45667 170.9155 
1 1 1    1   10   14 o  373.278   89.084  303.978  127.962   0.0000   0.0000  303.978  127.962  ?   ?   373.278   89.084      ?      ? 
1 1 1    1   10   15 o  367.500   46.438  272.609   48.326  269.143   52.828  290.386  119.630  368.924   36.694  366.075   85.319 2.849518 92.87510 
1 1 1    1   10   16 o  602.987   60.228  845.921   92.486  880.858  100.805  660.075  232.498  666.775   38.741  539.200  114.055 127.5757 120.4555 
1 1 1    1   10   17 o  579.309   40.806  666.686   92.249  666.686   92.249   0.0000   0.0000  579.309   40.806  ?   ?       ?      ? 
1 1 1    1   10   18 o  568.399   58.574  715.300   64.337  720.874   67.044  650.434  228.708  605.014   28.397  531.784  113.655 73.23065 117.1489 
1 1 1    1   10   19 o  1005.17   93.023  2260.18  153.028  2248.32  157.480  2461.06  648.118  1064.17   37.921  946.175  182.140 117.9974 186.0455 
1 1 1    1   10   20 o  770.286   58.649  973.156   80.785  940.794   82.721  1640.56  375.653  690.255   30.710  850.317  113.207 -160.0627 117.2985 
1 1 1    1   10   21 f  454.119   54.077  456.953   49.758  460.499   51.973  418.013  172.251  483.320   27.556  424.918  104.585 58.40222 108.1539 
1 1 1    1   10   22 o  1044.19   38.016  2174.22  154.909  2174.22  154.909   0.0000   0.0000  1044.19   38.016  ?   ?       ?      ? 
1 1 1    1   10   23 o  1057.99   38.846  2243.34  160.382  2243.34  160.382   0.0000   0.0000  1057.99   38.846  ?   ?       ?      ? 
1 1 1    1   10   24 o  524.368   65.507  629.492   91.153  625.474   98.821  652.411  236.010  553.719   45.733  495.016  122.773 58.70261 131.0138 
1 1 1    1   10   25 o  184.924   42.295   69.848   22.359   72.712   22.867   7.5965  106.616  190.674   30.732  179.174   78.809 11.49980 84.58908 
1 1 1    1   10   27 o  377.819   62.468  370.724   46.313  371.332   47.506  359.085  207.990  429.914   28.316  325.724  121.684 104.1899 124.9352 
1 1 1    1   10   28 o  286.186   58.071  190.401   40.052  188.965   40.985  220.848  188.694  303.949   34.554  268.423  110.882 35.52658 116.1411 
1 1 1    1   10   29 o  208.988   57.699   58.956   25.535   56.124   25.788  201.081  182.704  160.857   40.969  257.118  107.881 -96.26022 115.3983 
1 1 1    1   10   30 o  293.342   59.360  210.054   37.418  208.120   37.999  271.914  214.875  319.399   30.486  267.284  114.739 52.11456 118.7203 
1 1 1    1   10   31 o  306.314   57.042  274.565   43.120  275.433   44.034  254.306  212.714  365.687   30.857  246.941  109.831 118.7459 114.0835 
1 1 1    1   10   32 o  450.557   53.551  471.388   94.156  471.388   94.156   0.0000   0.0000  450.557   53.551  ?   ?       ?      ? 
1 1 1    1   10   33 o  264.890   43.010  230.493   39.131  252.107   41.740   73.656  112.437  348.204   30.718  181.577   80.348 166.6276 86.01942 
1 1 1    1   10   34 o  206.711   50.592   96.571   31.332   93.734   32.079  155.403  146.093  203.963   41.709  209.459   92.188 -5.496429 101.1846 
1 1 1    1   10   35 o  382.182   55.650  412.613   52.523  408.694   55.795  443.120  155.665  439.586   32.525  324.778  106.441 114.8084 111.2996 
1 1 1    1   11    0 o  148.397   33.323   44.216   21.658   42.984   29.779   45.599   31.555  146.298   46.437  150.497   47.805 -4.199310 66.64577 
1 1 1    1   11    1 o  112.521   28.007   22.365   15.173   20.339   20.163   25.012   23.041  107.699   38.233  117.344   40.937 -9.645699 56.01411 
1 1 1    1   11    2 o  166.409   34.095   57.135   23.506   48.905   32.305   66.393   34.265  155.044   48.248  177.774   48.186 -22.72925 68.18906 
1 1 1    1   11    3 o  267.406   40.634  152.406   41.144  142.191   57.271  163.299   59.145  257.679   58.315  277.133   56.602 -19.45361 81.26769 
1 1 1    1   11    4 o  207.140   42.151   93.056   35.455  102.091   43.701   75.655   60.648  219.596   51.829  194.685   66.486 24.91139 84.30150 
1 1 1    1   11    5 o  411.176   54.979  356.854   81.322  336.104   98.715  400.677  143.457  402.261   62.884  420.092   90.202 -17.83127 109.9582 
1 1 1    1   11    6 o  186.981   40.420   72.492   31.531   75.750   39.095   66.430   53.333  190.025   51.455  183.937   62.351 6.087982 80.84077 
1 1 1    1   11    7 o  619.433   73.820  897.684  161.881  968.887  202.292  770.896  269.941  677.361   76.529  561.505  126.257 115.8568 147.6403 
1 1 1    1   11    8 f  299.620   56.687  196.316   67.709  212.998   96.628  180.224   94.904  312.022   79.215  287.217   81.109 24.80530 113.3744 
1 1 1    1   11    9 o  382.146   63.050  322.212   92.527  367.019  133.628  280.943  128.245  409.194   86.394  355.097   91.854 54.09677 126.0997 
1 1 1    1   11   10 o  321.079   58.010  223.966   73.177  251.689  105.041  197.825  102.001  340.608   80.331  301.550   83.712 39.05829 116.0205 
1 1 1    1   11   11 o  146.612   52.622   37.132   38.294   0.0000   0.0000   37.132   38.294  ?   ?   146.612   52.622      ?      ? 
1 1 1    1   11   12 o  471.187   70.810  491.475  126.199  470.073  177.181  513.513  179.791  459.827  101.460  482.546   98.802 -22.71869 141.6192 
1 1 1    1   11   13 o  225.131   49.348  103.828   48.152   88.406   68.409  118.972   67.790  211.882   70.616  238.379   68.952 -26.49709 98.69676 
1 1 1    1   11   14 o  886.098  165.034  1969.52  549.674  1969.52  549.674   0.0000   0.0000  886.098  165.034  ?   ?       ?      ? 
1 1 1    1   11   15 o  466.390   37.348  430.526   67.975  430.526   67.975   0.0000   0.0000  466.390   37.348  ?   ?       ?      ? 
1 1 1    1   11   16 o  684.981   59.346  918.129  101.541  897.903  107.764  1078.25  303.210  672.216   41.080  697.747  111.356 -25.53125 118.6917 
1 1 1    1   11   17 o  222.573   39.240  109.328   34.495  129.766   42.135   67.787   60.070  255.270   42.297  189.876   66.107 65.39330 78.48027 
1 1 1    1   11   18 o  955.134   92.366  2167.90  196.711  2182.79  209.039  2052.73  581.411  1041.12   51.451  869.148  177.422 171.9733 184.7317 
1 1 1    1   11   19 o  558.589   30.199  615.830   65.829  615.830   65.829   0.0000   0.0000  558.589   30.199  ?   ?       ?      ? 
1 1 1    1   11   20 o  211.357   38.408   83.540   21.505   82.030   22.597   98.041   70.028  203.942   28.392  218.771   71.377 -14.82941 76.81683 
1 1 1    1   11   21 o  520.064   52.163  496.398   53.643  483.043   55.567  679.286  205.629  494.538   28.793  545.590  100.275 -51.05209 104.3269 
1 1 1    1   11   22 o  404.881   56.962  399.936   75.730  440.915   87.840  281.287  149.467  466.132   48.289  343.631  103.183 122.5011 113.9238 
1 1 1    1   11   23 o  476.393   62.924  537.232   87.597  548.599   97.312  488.677  201.122  517.988   48.141  434.798  116.276 83.19052 125.8479 
1 1 1    1   11   24 o  335.562   53.139  291.143   40.407  299.018   42.052  196.347  145.899  387.760   27.790  283.364  102.581 104.3965 106.2784 
1 1 1    1   11   25 o  282.419   52.392  160.900   31.969  158.149   32.850  210.117  138.935  280.932   29.964  283.906  100.409 -2.974182 104.7843 
1 1 1    1   11   26 o  455.714   65.728  479.750   53.264  473.127   54.743  597.353  230.678  485.319   28.905  426.109  128.239 59.20905 131.4566 
1 1 1    1   11   27 o  252.631   50.574  173.167   38.150  180.495   39.073   23.597  176.536  297.585   33.646  207.677   95.389 89.90756 101.1487 
1 1 1    1   11   28 o  248.247   53.730  144.611   32.215  145.931   32.675   98.797  192.518  268.059   31.236  228.434  102.819 39.62553 107.4593 
1 1 1    1   11   29 o  228.635   52.200  121.565   30.196  123.480   30.511   30.336  210.548  245.894   31.797  211.375   99.440 34.51920 104.4001 
1 1 1    1   11   30 o  372.831   62.890  449.570   53.007  452.717   54.109  374.718  263.920  470.826   29.450  274.835  122.284 195.9912 125.7797 
1 1 1    1   11   31 o  248.613   31.863  128.327   30.913  128.327   30.913   0.0000   0.0000  248.613   31.863  ?   ?       ?      ? 
1 1 1    1   11   32 o  204.675   51.856   92.478   30.890   90.917   31.389  140.448  173.997  201.642   41.279  207.708   95.143 -6.066681 103.7124 
1 1 1    1   11   33 o  167.052   48.181   50.389   25.110   50.028   25.443   63.931  155.832  148.577   42.009  185.527   86.724 -36.95026 96.36268 
1 1 1    1   11   34 o  166.462   45.719   59.947   27.352   61.555   27.839   15.167  146.899  163.529   43.038  169.395   80.675 -5.865891 91.43728 
1 1 1    1   12    0 o  153.664   32.863   47.729   21.320   43.947   28.778   52.329   31.741  147.579   45.475  159.748   47.455 -12.16937 65.72605 
1 1 1    1   12    1 o  336.897   42.189  236.201   54.337  226.301   75.871  246.626   77.855  326.760   61.763  347.034   57.489 -20.27399 84.37793 
1 1 1    1   12    2 o  171.787   34.706   60.546   24.474   52.088   33.342   70.429   36.038  160.016   48.888  183.558   49.276 -23.54167 69.41277 
1 1 1    1   12    3 o  580.396   51.448  707.019  116.463  738.587  166.201  676.563  163.247  593.692   71.737  567.099   73.766 26.59338 102.8956 
1 1 1    1   12    4 o  187.570   40.578   71.149   31.149   69.801   37.938   73.936   54.565  183.121   51.131  192.018   63.023 -8.897308 81.15604 
1 1 1    1   12    5 o  550.582   65.680  670.661  128.707  681.708  158.380  649.177  220.860  572.309   70.915  528.854  110.574 43.45490 131.3604 
1 1 1    1   12    6 o  486.063   60.236  502.473  104.698  488.933  127.633  530.328  183.062  486.956   67.165  485.170  100.012 1.786774 120.4724 
1 1 1    1   12    7 o  494.885   61.539  535.812  108.849  553.883  134.566  501.607  185.128  519.254   66.408  470.515  103.626 48.73914 123.0789 
1 1 1    1   12    8 o  504.848   63.072  570.347  113.550  621.692  142.042  479.437  189.005  550.930   66.067  458.766  107.458 92.16431 126.1434 
1 1 1    1   12    9 o  287.469   55.471  177.688   64.015  187.985   91.058  167.625   90.013  295.429   77.879  279.509   79.012 15.91959 110.9412 
1 1 1    1   12   10 o  224.193   69.158  103.569   66.538  103.569   66.538   0.0000   0.0000  224.193   69.158  ?   ?       ?      ? 
1 1 1    1   12   11 o  146.805   53.172   36.421   39.208   36.421   39.208   0.0000   0.0000  146.805   53.172  ?   ?       ?      ? 
1 1 1    1   12   12 o  212.593   67.837   91.248   63.487   91.248   63.487   0.0000   0.0000  212.593   67.837  ?   ?       ?      ? 
1 1 1    1   12   13 o  374.561   63.495  306.524   91.632  297.108  129.668  315.917  129.508  368.406   90.781  380.716   88.799 -12.31015 126.9895 
1 1 1    1   12   14 o  424.419   66.640  395.374  107.783  335.201  149.304  460.858  155.755  388.173   98.424  460.666   89.868 -72.49274 133.2803 
1 1 1    1   12   15 o  768.974  102.160  1436.30  295.197  1358.79  411.398  1518.56  423.822  744.698  146.782  793.250  142.133 -48.55151 204.3198 
1 1 1    1   12   16 o  230.332   38.664  117.411   36.050  154.500   46.365   60.708   57.328  278.471   42.666  182.193   64.492 96.27776 77.32736 
1 1 1    1   12   17 o  1007.84   50.776  2043.94  199.703  2043.94  199.703   0.0000   0.0000  1007.84   50.776  ?   ?       ?      ? 
1 1 1    1   12   18 o  403.785   50.400  307.819   64.617  280.753   72.372  414.188  143.470  373.556   49.646  434.014   87.725 -60.45786 100.7991 
1 1 1    1   12   19 o  361.570   48.464  320.750   60.359  395.832   73.703  167.831  105.182  445.101   42.432  278.040   87.147 167.0611 96.92854 
1 1 1    1   12   20 o  165.855   46.853   33.314   44.973   37.498   71.692   30.600   57.748  174.095   69.649  157.614   62.688 16.48087 93.70586 
1 1 1    1   12   21 o  228.599   53.499  109.798   56.583  133.316   76.477   81.353   84.107  247.454   73.696  209.744   77.572 37.70944 106.9977 
1 1 1    1   12   22 o  314.455   50.456  224.742   36.377  227.150   37.932  197.155  128.392  338.424   28.722  290.487   96.739 47.93680 100.9126 
1 1 1    1   12   23 o  216.180   41.483  122.419   28.597  132.613   29.697  -7.6620  106.080  258.033   29.492  174.328   77.547 83.70448 82.96580 
1 1 1    1   12   24 o  260.124   47.457  170.249   31.559  175.598   32.650   94.212  123.091  296.625   28.206  223.624   90.626 73.00146 94.91350 
1 1 1    1   12   25 o  386.355   58.979  450.347   51.919  466.503   53.958  248.535  190.700  482.286   28.669  290.423  114.420 191.8633 117.9571 
1 1 1    1   12   26 o  209.351   43.721  116.744   31.223  126.331   31.899 -102.2319  152.456  249.369   32.780  169.334   81.066 80.03471 87.44280 
1 1 1    1   12   27 o  368.115   60.728  408.615   49.682  416.123   51.031  272.182  217.533  454.151   28.794  282.080  117.993 172.0710 121.4554 
1 1 1    1   12   28 o  216.504   58.949   65.822   23.816   63.749   23.976  218.882  206.044  172.789   36.692  260.220  112.043 -87.43079 117.8980 
1 1 1    1   12   29 o  235.876   52.078  139.434   31.372  141.718   31.680   23.567  225.648  263.260   30.837  208.491   99.486 54.76947 104.1550 
1 1 1    1   12   30 o  319.686   31.013  210.879   38.690  210.879   38.690   0.0000   0.0000  319.686   31.013  ?   ?       ?      ? 
1 1 1    1   12   31 o  373.786   59.956  518.241   57.153  522.878   58.208  393.895  301.429  503.085   29.649  244.486  116.188 258.5986 119.9113 
1 1 1    1   12   32 f  211.844   50.025  113.326   31.083  114.984   31.322   5.8302  252.222  233.327   34.399  190.361   93.950 42.96606 100.0499 
1 1 1    1   12   33 o  210.232   52.247   99.204   29.930   97.292   30.324  171.355  186.295  209.928   38.431  210.537   97.169 -0.6083832 104.4930 
1 1 1    1   12   34 o  258.640   50.983  203.053   40.181  203.795   41.193  188.499  182.359  309.172   34.142  208.109   96.079 101.0639 101.9654 
1 1 1    1   13    0 o   93.139   34.713   13.154   16.906   13.154   16.906   0.0000   0.0000   93.139   34.713  ?   ?       ?      ? 
1 1 1    1   13    1 o  383.648   59.335  299.661   88.834  299.661   88.834   0.0000   0.0000  383.648   59.335  ?   ?       ?      ? 
1 1 1    1   13    2 f  224.196   54.407  105.496   47.118  105.496   47.118   0.0000   0.0000  224.196   54.407  ?   ?       ?      ? 
1 1 1    1   13    3 o  286.703   49.676  171.460   51.956  164.616   62.299  187.090   94.155  279.889   58.903  293.517   80.009 -13.62729 99.35236 
1 1 1    1   13    4 o  181.407   50.063   68.150   36.599   68.150   36.599   0.0000   0.0000  181.407   50.063  ?   ?       ?      ? 
1 1 1    1   13    5 o  217.785   55.079   99.341   46.841   99.341   46.841   0.0000   0.0000  217.785   55.079  ?   ?       ?      ? 
1 1 1    1   13    6 o  106.693   39.056   18.305   21.234   18.305   21.234   0.0000   0.0000  106.693   39.056  ?   ?       ?      ? 
1 1 1    1   13    7 o  1204.94  134.258  3377.13  631.305  3377.13  631.305   0.0000   0.0000  1204.94  134.258  ?   ?       ?      ? 
1 1 1    1   13    8 o  205.124   39.947   91.046   34.614  118.405   44.421   48.756   55.227  239.225   49.224  171.023   62.929 68.20181 79.89397 
1 1 1    1   13    9 o  426.771   56.257  379.289   86.952  369.142  106.880  399.151  149.533  426.167   64.266  427.375   92.355 -1.207977 112.5149 
1 1 1    1   13   10 o  336.890   85.186  246.138  112.060  246.138  112.060   0.0000   0.0000  336.890   85.186  ?   ?       ?      ? 
1 1 1    1   13   11 o  151.088   37.673   36.377   29.454   8.4605   42.165   62.983   41.163  125.408   52.159  176.769   54.373 -51.36102 75.34573 
1 1 1    1   13   12 o  230.137   49.300  108.804   48.905   82.351   68.901  135.660   69.425  206.962   70.865  253.312   68.558 -46.35011 98.60083 
1 1 1    1   13   13 o  398.205   92.423  349.045  140.853   0.0000   0.0000  349.045  140.853  ?   ?   398.205   92.423      ?      ? 
1 1 1    1   13   14 o  197.663   43.154   74.197   37.610  113.330   57.574   45.069   49.673  231.972   62.287  163.355   59.745 68.61743 86.30826 
1 1 1    1   13   15 o  810.620  109.188  1653.46  332.452  1800.39  483.842  1522.06  457.573  848.715  151.652  772.525  157.130 76.19061 218.3761 
1 1 1    1   13   16 o  289.666   59.620  183.123   71.669  167.416  104.184  197.234   98.746  278.740   86.630  300.591   81.936 -21.85077 119.2398 
1 1 1    1   13   17 f  493.966   56.453  515.471   83.505  512.071   93.308  529.151  187.153  505.155   47.333  482.778  102.507 22.37738 112.9070 
1 1 1    1   13   18 o  807.603   80.398  1524.52  168.556  1543.28  183.682  1424.50  424.148  872.505   53.947  742.702  151.476 129.8030 160.7957 
1 1 1    1   13   19 o  456.439   58.276  469.920   90.021  494.270  107.022  411.017  166.455  492.256   55.712  420.623  102.375 71.63272 116.5524 
1 1 1    1   13   20 o  799.338   78.298  1472.02  157.575  1465.71  170.141  1510.11  417.784  848.238   51.400  750.439  147.920 97.79895 156.5954 
1 1 1    1   13   21 o  601.686   68.979  888.021  119.243  923.861  133.784  749.516  262.998  671.087   51.085  532.284  128.150 138.8031 137.9571 
1 1 1    1   13   22 o  361.796   49.590  244.718   38.824  235.815   40.422  350.652  139.437  344.008   30.111  379.583   94.500 -35.57468 99.18078 
1 1 1    1   13   23 o  318.431   48.023  324.436   43.072  353.446   45.392   62.238  136.466  421.144   27.620  215.718   91.989 205.4261 96.04550 
1 1 1    1   13   24 o  345.430   55.701  342.628   53.460  360.810   56.566  190.572  163.579  421.892   34.357  268.969  105.971 152.9229 111.4011 
1 1 1    1   13   25 o  277.682   51.834  208.451   37.401  214.248   38.433  104.816  162.497  325.832   30.226  229.533   99.163 96.29906 103.6677 
1 1 1    1   13   26 o  212.569   48.895   96.008   26.754   97.478   27.164   48.444  154.510  219.077   31.774  206.060   92.484 13.01729 97.78971 
1 1 1    1   13   27 o  208.925   52.988   76.642   24.118   76.337   24.324   94.407  185.538  193.509   32.211  224.342  100.962 -30.83272 105.9752 
1 1 1    1   13   28 o  388.437   66.802  545.859  100.187  578.729  106.743  302.660  290.349  510.365   53.595  266.510  122.382 243.8550 133.6031 
1 1 1    1   13   30 o  226.409   52.964  118.606   30.193  117.811   30.509  156.438  210.393  237.510   32.917  215.307  100.684 22.20306 105.9278 
1 1 1    1   13   31 o  305.405   58.164  283.971   42.914  282.206   43.539  344.168  254.244  368.823   30.250  241.986  112.326 126.8368 116.3276 
1 1 1    1   13   32 o  168.587   46.988   56.971   23.267   58.313   23.419 -45.1393  204.282  162.044   37.738  175.130   86.066 -13.08498 93.97620 
1 1 1    1   13   33 o  165.204   50.702   37.820   22.979   35.462   23.215  152.146  161.641  126.646   41.086  203.762   92.708 -77.11658 101.4044 
1 1 1    1   14    0 o  139.308   33.230   35.607   20.909   32.606   26.449   40.607   34.143  131.441   43.912  147.176   49.887 -15.73485 66.46031 
1 1 1    1   14    1 o  585.713   51.513  707.582  117.649  744.498  167.630  671.748  165.158  601.378   71.429  570.047   74.243 31.33130 103.0250 
1 1 1    1   14    2 o  345.679   41.861  244.171   55.162  221.229   75.558  270.353   80.718  325.325   61.775  366.034   56.509 -40.70871 83.72243 
1 1 1    1   14    3 o  955.286   73.810  1986.35  275.149  2004.60  389.641  1968.20  388.601  960.021  104.005  950.551  104.760 9.469360 147.6199 
1 1 1    1   14    4 o  288.221   49.315  176.107   52.452  176.927   63.842  174.404   92.009  291.292   58.199  285.151   79.630 6.141052 98.63066 
1 1 1    1   14    5 o  169.863   38.355   55.669   27.372   53.368   33.226   60.531   48.288  162.406   48.623  177.321   59.332 -14.91563 76.71062 
1 1 1    1   14    6 o  375.432   53.619  307.829   73.316  335.718   91.270  257.095  123.099  408.074   57.314  342.789   90.638 65.28448 107.2389 
1 1 1    1   14    7 o  564.155   63.480  658.213  127.943  620.558  154.849  739.223  227.125  549.821   72.170  578.488  104.453 -28.66663 126.9602 
1 1 1    1   14    8 o  588.359   59.594  664.889  127.644  571.394  151.298  895.758  237.752  527.096   73.555  649.622   93.785 -122.5267 119.1885 
1 1 1    1   14    9 o  322.757   51.057  212.120   60.632  186.920   75.134  259.173  102.666  297.576   66.387  347.937   77.589 -50.36111 102.1142 
1 1 1    1   14   10 o  814.285  150.947  1615.33  461.995  1615.33  461.995   0.0000   0.0000  814.285  150.947  ?   ?       ?      ? 
1 1 1    1   14   11 o  231.574   48.257  109.185   48.522   66.686   67.805  153.793   69.466  193.753   69.963  269.395   66.483 -75.64281 96.51305 
1 1 1    1   14   12 o  283.480   56.078  172.953   64.508  166.137   91.907  179.572   90.564  278.228   80.230  288.732   78.370 -10.50381 112.1551 
1 1 1    1   14   13 o  740.435  140.572  1331.39  391.324   0.0000   0.0000  1331.39  391.324  ?   ?   740.435  140.572      ?      ? 
1 1 1    1   14   14 o  521.418  109.717  622.344  216.181  622.344  216.181   0.0000   0.0000  521.418  109.717  ?   ?       ?      ? 
1 1 1    1   14   15 o  735.926  142.535  1340.67  394.556   0.0000   0.0000  1340.67  394.556  ?   ?   735.926  142.535      ?      ? 
1 1 1    1   14   16 o   65.624   30.458 -16.1677   18.687   0.0000   0.0000 -16.1677   18.687  ?   ?    65.624   30.458      ?      ? 
1 1 1    1   14   17 o  224.851   74.004  103.810   75.217   0.0000   0.0000  103.810   75.217  ?   ?   224.851   74.004      ?      ? 
1 1 1    1   14   18 o  250.826   55.637  133.508   60.056  122.605   78.919  148.508   92.570  240.002   75.530  261.649   81.714 -21.64616 111.2743 
1 1 1    1   14   19 o  768.567   79.339  1400.35  161.843  1408.24  177.097  1360.40  398.618  828.797   54.756  708.338  148.932 120.4589 158.6785 
1 1 1    1   14   20 o  412.949   61.551  381.642   90.908  370.597  108.983  406.905  164.825  417.672   66.864  408.226  103.361 9.446106 123.1029 
1 1 1    1   14   21 o  133.672   43.408 -44.1841   46.623   2.8449   85.713 -63.9460   55.562  163.187   71.245  104.158   49.608 59.02851 86.81511 
1 1 1    1   14   22 o  304.033   80.137  233.451  115.477  295.617  235.861  213.852  132.435  318.010  126.625  290.057   98.253 27.95267 160.2732 
1 1 1    1   14   23 o  208.542   45.405   90.858   26.434   92.302   27.206   66.504  111.746  213.830   32.604  203.254   84.756 10.57562 90.81049 
1 1 1    1   14   24 o  343.818   55.793  230.703   38.157  222.361   39.267  371.954  161.573  331.984   30.310  355.651  107.391 -23.66681 111.5863 
1 1 1    1   14   25 o  273.297   49.344  216.484   37.811  225.978   38.994   67.150  154.648  334.369   29.884  212.225   94.054 122.1447 98.68769 
1 1 1    1   14   26 o  187.182   52.150   46.693   19.896   45.487   20.057  120.664  157.093  146.053   35.530  228.312   98.061 -82.25980 104.2990 
1 1 1    1   14   27 o  181.534   33.952   69.628   23.168   69.628   23.168   0.0000   0.0000  181.534   33.952  ?   ?       ?      ? 
1 1 1    1   14   28 o  332.266   29.791  225.820   38.629  225.820   38.629   0.0000   0.0000  332.266   29.791  ?   ?       ?      ? 
1 1 1    1   14   29 o  273.490   53.961  216.278   38.211  217.398   38.819  181.404  216.663  324.311   30.673  222.669  103.471 101.6428 107.9213 
1 1 1    1   14   30 o  162.137   50.733   34.343   19.992   33.525   20.107  105.463  187.415  123.997   37.979  200.278   94.091 -76.28089 101.4665 
1 1 1    1   14   31 o  107.039   42.194 -11.1745   11.624 -10.7912   11.645 -115.8743  192.483   50.401   23.607  163.677   81.018 -113.2757 84.38715 
1 1 1    1   14   32 o  269.764   46.050  256.168   40.505  267.581   41.520   31.241  184.326  358.785   29.655  180.743   87.195 178.0422 92.09984 
1 1 1    1   15    0 f  337.608   44.456  236.524   56.221  223.235   75.758  252.813   83.876  327.261   61.580  347.956   64.134 -20.69446 88.91134 
1 1 1    1   15    1 o  801.490   63.694  1354.73  199.178  1321.14  278.711  1389.79  284.746  791.213   90.267  811.767   89.886 -20.55383 127.3880 
1 1 1    1   15    2 o  640.197   53.798  842.607  134.054  764.749  183.810  931.075  195.932  608.088   77.459  672.305   74.681 -64.21667 107.5966 
1 1 1    1   15    3 o  713.219   57.727  1053.39  160.150  945.807  218.871  1177.36  234.956  673.299   83.301  753.140   79.943 -79.84143 115.4550 
1 1 1    1   15    4 o  409.095   54.260  342.383   79.602  325.684   96.428  378.110  141.042  401.020   61.618  417.171   89.331 -16.15042 108.5205 
1 1 1    1   15    5 o  245.478   52.801  125.755   55.087  130.155   75.674  120.795   80.345  248.956   73.095  241.999   76.218 6.956421 105.6029 
1 1 1    1   15    6 o  267.918   54.293  152.322   59.888  167.383   84.446  137.081   84.946  280.092   75.531  255.745   78.012 24.34711 108.5853 
1 1 1    1   15    7 o  559.466   78.658  704.019  165.686  697.601  233.710  710.504  234.925  556.690  111.468  562.241  111.011 -5.551086 157.3168 
1 1 1    1   15    8 o  285.858   49.752  167.989   57.190   99.629   76.673  253.714   85.861  223.871   74.764  347.845   65.660 -123.9735 99.50327 
1 1 1    1   15    9 o  641.071   73.101  917.792  166.949  957.340  207.602  845.399  280.877  678.484   78.408  603.659  123.397 74.82544 146.2010 
1 1 1    1   15   10 f  238.017   72.703  118.345   73.742   0.0000   0.0000  118.345   73.742  ?   ?   238.017   72.703      ?      ? 
1 1 1    1   15   11 o  638.217   90.296  962.535  216.872  943.648  312.503  980.083  301.216  628.538  131.625  647.896  123.646 -19.35791 180.5921 
1 1 1    1   15   12 o  667.195  128.909  1057.60  323.488   0.0000   0.0000  1057.60  323.488  ?   ?   667.195  128.909      ?      ? 
1 1 1    1   15   13 o  322.921   85.002  229.355  108.580   0.0000   0.0000  229.355  108.580  ?   ?   322.921   85.002      ?      ? 
1 1 1    1   15   14 o  583.832   82.982  794.237  182.349  871.387  265.803  725.646  250.627  612.825  115.379  554.840  119.298 57.98541 165.9648 
1 1 1    1   15   15 o  189.527   48.651   64.556   46.179   55.733   72.532   70.570   59.885  187.521   71.455  191.531   66.043 -4.009857 97.30103 
1 1 1    1   15   16 o  490.295   77.647  564.409  145.269  492.004  204.735  637.820  206.155  453.401  115.415  527.189  103.901 -73.78778 155.2933 
1 1 1    1   15   17 o  524.872   82.577  666.469  164.676  660.190  237.905  672.245  228.174  519.721  119.762  530.024  113.722 -10.30286 165.1532 
1 1 1    1   15   18 o  429.867   78.884  458.021  134.095  409.185  198.267  499.194  182.047  402.375  118.364  457.360  104.310 -54.98468 157.7674 
1 1 1    1   15   19 o  256.395   57.440  133.827   69.213  229.146  103.916   57.825   92.791  315.209   83.245  197.582   79.170 117.6269 114.8803 
1 1 1    1   15   20 o  215.275   61.821   76.323   79.754   24.917  145.176   98.543   95.447  209.926   92.157  220.625   82.430 -10.69904 123.6430 
1 1 1    1   15   21 o  387.130   68.633  371.095   98.674  351.203  119.679  413.323  174.373  384.582   82.234  389.679  109.907 -5.096954 137.2662 
1 1 1    1   15   22 o  262.562   63.638  173.576   77.847  174.439   99.956  172.245  124.106  264.653   85.190  260.472   94.561 4.181610 127.2763 
1 1 1    1   15   23 o  178.279   54.204   25.355   70.489   75.788   97.892 -28.9553  101.584  199.318   80.803  157.240   72.273 42.07814 108.4089 
1 1 1    1   15   24 o  247.033   46.027  174.356   34.526  184.413   35.629   19.365  139.870  301.949   30.237  192.117   86.947 109.8324 92.05457 
1 1 1    1   15   25 o  536.358   31.191  584.388   65.285  584.388   65.285   0.0000   0.0000  536.358   31.191  ?   ?       ?      ? 
1 1 1    1   15   26 o  227.174   33.698  105.983   29.874  105.983   29.874   0.0000   0.0000  227.174   33.698  ?   ?       ?      ? 
1 1 1    1   15   27 o  398.616   60.821  575.239   62.782  592.866   64.729  295.302  257.948  537.844   30.840  259.387  117.668 278.4576 121.6421 
1 1 1    1   15   28 o  214.711   50.309  106.884   27.944  107.549   28.220   73.431  200.122  227.807   31.744  201.614   95.480 26.19339 100.6190 
1 1 1    1   15   29 o  245.135   53.950  149.745   32.025  148.377   32.391  209.167  213.482  267.187   31.066  223.084  103.331 44.10257 107.8996 
1 1 1    1   15   30 o  136.767   46.395   18.168   16.949   18.638   17.010 -47.1866  200.588   98.433   35.098  175.101   85.896 -76.66825 92.79058 
1 1 1    1   15   31 o  160.120   45.499   47.919   21.430   48.742   21.614  -0.0084  164.904  147.954   37.411  172.285   82.952 -24.33112 90.99841 
1 1 1    1   15   32 o  187.824   51.113  106.604   56.736  128.081   60.809 -37.8095  157.684  215.551   66.051  160.097   78.023 55.45451 102.2267 
1 1 1    1   16    0 o  149.937   36.926   38.926   25.307   34.272   30.931   48.349   44.013  137.286   47.457  162.587   56.586 -25.30061 73.85242 
1 1 1    1   16    1 o  360.540   55.188  273.976   72.870  293.420  122.510  263.331   90.649  367.249   86.847  353.831   68.122 13.41852 110.3770 
1 1 1    1   16    2 o  670.826   75.632  1011.66  180.569  909.792  301.729  1068.50  225.384  625.074  128.003  716.578   80.599 -91.50403 151.2642 
1 1 1    1   16    3 o  738.128   81.351  1254.29  213.091  1073.15  350.604  1360.39  268.342  670.946  138.496  805.309   85.387 -134.3632 162.7027 
1 1 1    1   16    4 o  467.664   71.931  486.796  127.539  497.565  180.635  476.090  180.101  473.399  100.865  461.929  102.581 11.46942 143.8628 
1 1 1    1   16    5 o  258.412   55.008  140.329   60.086  126.716   83.102  155.243   86.979  246.886   77.475  269.937   78.111 -23.05098 110.0166 
1 1 1    1   16    6 o  331.522   61.331  239.681   80.431  264.448  115.322  216.222  112.233  348.211   85.495  314.833   87.957 33.37827 122.6614 
1 1 1    1   16    7 o  332.718   46.351  193.534   55.849  128.514   65.961  358.180  104.964  246.425   66.881  419.011   64.192 -172.5863 92.70242 
1 1 1    1   16    8 o  720.297   64.262  909.273  159.097  715.049  180.229  1594.88  338.619  585.039   78.942  855.554  101.422 -270.5147 128.5233 
1 1 1    1   16    9 o  463.625   60.207  454.709  100.953  440.587  124.016  482.447  173.812  462.641   68.691  464.610   98.900 -1.969025 120.4145 
1 1 1    1   16   10 o  382.880   55.428  307.847   77.599  284.249   96.891  350.060  129.588  365.708   70.447  400.052   85.595 -34.34366 110.8566 
1 1 1    1   16   11 o  599.288   60.800  619.999  124.602  443.103  142.580  1191.76  256.333  451.754   83.968  746.822   87.954 -295.0677 121.5996 
1 1 1    1   16   12 o  537.365   66.989  616.537  133.105  564.670  166.602  708.071  221.322  516.155   82.712  558.575  105.398 -42.41937 133.9777 
1 1 1    1   16   13 o  326.192   51.401  211.361   73.721   48.479   98.545  418.364  111.093  200.869   81.198  451.516   63.050 -250.6470 102.8027 
1 1 1    1   16   14 o  643.682   83.582  943.078  202.274  691.113  265.091  1294.22  312.946  528.939  129.474  758.426  105.737 -229.4873 167.1635 
1 1 1    1   16   15 o  343.470   65.664  270.230   91.507  215.346  132.105  320.853  126.873  308.678   97.788  378.261   87.663 -69.58350 131.3290 
1 1 1    1   16   16 o  539.072   80.877  695.205  168.656  538.903  231.598  871.683  246.092  460.282  125.489  617.862  102.064 -157.5805 161.7547 
1 1 1    1   16   17 o  292.623   66.261  199.878   90.287  117.041  139.123  260.150  118.672  250.330   98.004  334.916   89.203 -84.58528 132.5215 
1 1 1    1   16   18 o  164.777   50.627   12.786   52.587  -5.3529  112.017   17.914   59.558  180.870   80.108  148.683   61.928 32.18736 101.2540 
1 1 1    1   16   19 o  250.729   60.866  141.544   71.304  167.342  109.784  122.721   93.776  266.191   89.460  235.267   82.558 30.92345 121.7328 
1 1 1    1   16   20 o  329.673   68.441  263.494   92.463  199.737  116.347  372.792  152.334  282.365   91.997  376.981  101.356 -94.61548 136.8815 
1 1 1    1   16   21 o  217.351   61.352   96.323   78.143   85.672  105.046  109.521  116.928  209.521   84.136  225.181   89.316 -15.65956 122.7036 
1 1 1    1   16   22 o  296.665   69.848  241.043   91.487  225.342  112.285  272.052  157.797  291.403   89.831  301.927  106.983 -10.52383 139.6961 
1 1 1    1   16   23 o  238.634   87.265  146.439  105.970  146.439  105.970   0.0000   0.0000  238.634   87.265  ?   ?       ?      ? 
1 1 1    1   16   24 o  605.593   57.926  817.071  136.895  817.071  136.895   0.0000   0.0000  605.593   57.926  ?   ?       ?      ? 
1 1 1    1   16   25 f  155.903   43.916   42.902   20.175   45.360   20.351 -97.3415  153.717  145.443   36.040  166.363   80.098 -20.92041 87.83277 
1 1 1    1   16   26 o  313.418   55.002  305.299   44.985  312.055   46.159  177.543  200.728  390.634   30.280  236.201  105.754 154.4326 110.0036 
1 1 1    1   16   27 o  149.611   46.437   30.995   18.072   31.638   18.168 -29.0987  175.560  121.251   35.876  177.971   85.665 -56.72030 92.87395 
1 1 1    1   16   28 o  360.897   57.856  472.202   54.544  479.540   55.829  318.356  255.625  481.716   29.699  240.079  111.837 241.6369 115.7127 
1 1 1    1   16   29 o  283.237   54.818  244.727   39.837  244.992   40.384  235.146  242.887  343.669   30.112  222.806  105.421 120.8631 109.6368 
1 1 1    1   16   30 o  258.946   57.094  231.558   66.665  241.939   70.913  152.628  195.542  311.167   60.578  206.725   96.796 104.4416 114.1887 
1 1 1    1   16   31 o  255.872   48.415  230.833   58.961  260.301   63.238   34.783  163.112  336.219   48.197  175.524   83.983 160.6944 96.83002 
1 1 1    1   17    0 o  337.905   45.580  234.876   57.329  205.905   74.708  276.373   89.410  312.870   63.361  362.940   65.540 -50.07068 91.15938 
1 1 1    1   17    1 o  401.305   42.416  300.724   60.583  178.798   75.112  527.701  102.483  290.007   67.616  512.604   51.232 -222.5972 84.83257 
1 1 1    1   17    2 o  213.027   44.007   92.399   37.608   87.689   46.654  101.139   63.551  205.086   56.492  220.968   67.492 -15.88138 88.01424 
1 1 1    1   17    3 o  572.676   51.366  674.373  114.478  618.418  155.585  740.427  169.043  546.793   72.914  598.558   72.370 -51.76489 102.7322 
1 1 1    1   17    4 f  483.615   62.616  503.798  107.279  503.444  130.098  504.550  189.634  495.293   67.309  471.937  105.605 23.35599 125.2318 
1 1 1    1   17    5 o  201.696   45.896   85.381   41.303  103.465   48.692   38.993   77.988  222.041   56.157  181.350   72.611 40.69153 91.79270 
1 1 1    1   17    6 o  770.625   79.111  1293.60  221.325  1231.19  266.510  1432.31  397.294  758.974   89.982  782.276  130.143 -23.30219 158.2211 
1 1 1    1   17    7 f  1080.29  130.522  3251.58  496.022  3493.61  623.297  2833.59  819.121  1218.36  131.095  942.207  225.739 276.1581 261.0439 
1 1 1    1   17    8 o  359.600   53.662  279.896   71.296  293.228   88.909  255.878  119.332  379.384   60.053  339.815   88.949 39.56891 107.3231 
1 1 1    1   17    9 o  372.915   68.439  294.659   95.926  294.659   95.926   0.0000   0.0000  372.915   68.439  ?   ?       ?      ? 
1 1 1    1   17   10 o  908.714   92.171  1869.91  303.014  1720.64  362.093  2218.71  553.506  878.784  105.586  938.644  151.109 -59.85931 184.3428 
1 1 1    1   17   11 o  335.581   74.437  243.576   94.929  243.576   94.929   0.0000   0.0000  335.581   74.437  ?   ?       ?      ? 
1 1 1    1   17   12 o  421.472   80.088  386.501  126.909  386.501  126.909   0.0000   0.0000  421.472   80.088  ?   ?       ?      ? 
1 1 1    1   17   13 f  204.776   49.673   76.780   51.730   21.321   75.670  125.437   70.878  167.734   69.828  241.818   70.667 -74.08397 99.34655 
1 1 1    1   17   14 o  249.794   57.267  128.728   62.790  164.723  100.730  105.853   80.300  273.106   85.231  226.483   76.508 46.62221 114.5330 
1 1 1    1   17   15 o  469.867   79.288  544.790  144.917  439.314  204.329  651.545  205.564  415.535  119.570  524.199  104.160 -108.6639 158.5756 
1 1 1    1   17   16 o  364.225   72.999  325.640  107.630  329.032  167.292  323.245  140.589  361.615  109.294  366.836   96.800 -5.221283 145.9978 
1 1 1    1   17   17 o  562.591   97.173  910.994  212.372  827.365  302.869  991.885  297.873  525.487  143.603  599.695  130.952 -74.20795 194.3460 
1 1 1    1   17   18 o  386.766   79.989  418.557  133.288  315.980  199.103  501.858  179.424  333.777  119.969  439.754  105.833 -105.9777 159.9783 
1 1 1    1   17   19 o  353.955   80.191  372.412  132.872  259.718  204.837  454.278  174.586  300.515  118.525  407.395  108.048 -106.8796 160.3823 
1 1 1    1   17   20 o  572.569   66.922  738.610  149.530  738.610  149.530   0.0000   0.0000  572.569   66.922  ?   ?       ?      ? 
1 1 1    1   17   21 o  174.218   78.834  -1.9963  114.930  -1.9963  114.930   0.0000   0.0000  174.218   78.834  ?   ?       ?      ? 
1 1 1    1   17   22 o  158.098   72.259 -17.6943   99.615 -17.6943   99.615   0.0000   0.0000  158.098   72.259  ?   ?       ?      ? 
1 1 1    1   17   23 o  150.090   49.270 -37.2554   69.684   3.3535   85.212 -119.2376  121.074  155.232   69.245  144.949   70.108 10.28238 98.53901 
1 1 1    1   17   24 o  450.534   76.989  593.221  109.165  568.164  118.968  726.737  274.624  498.043   61.212  403.025  141.288 95.01816 153.9777 
1 1 1    1   17   25 o  405.333   73.151  523.291  105.289  513.556  116.602  566.282  245.032  464.948   64.264  345.719  131.431 119.2291 146.3012 
1 1 1    1   17   26 o  407.072   67.668  576.720   99.653  600.695  110.967  476.809  226.531  508.615   55.908  305.530  123.249 203.0856 135.3363 
1 1 1    1   17   27 o  103.104   34.478   8.2173   12.841   10.147   12.941 -116.1106  103.864   79.788   30.235  126.420   61.974 -46.63258 68.95611 
1 1 1    1   17   28 o  170.157   51.581   61.209   60.129   78.754   68.582   2.9027  125.024  177.105   68.955  163.208   76.731 13.89758 103.1622 
1 1 1    1   17   29 o  150.718   49.179   17.217   51.662   17.395   55.815   16.151  136.488  132.402   57.657  169.035   79.686 -36.63284 98.35725 
1 1 1    1   17   30 o  145.499   47.553   16.209   18.210   14.168   18.373  129.604  136.962   92.980   35.832  198.017   88.098 -105.0379 95.10667 
1 1 1    1   18    0 o  248.827   50.277  140.114   51.875  166.511   61.812   77.234   95.401  281.696   58.156  215.957   82.031 65.73848 100.5544 
1 1 1    1   18    1 f  535.983   55.533  421.058   91.962  324.235   99.675  975.045  238.421  397.824   64.204  674.141   90.628 -276.3175 111.0655 
1 1 1    1   18    2 o  437.250   52.638  402.391   85.978  398.957  111.295  407.475  135.404  441.102   64.655  433.398   83.083 7.704041 105.2762 
1 1 1    1   18    3 o  872.673   69.063  1645.71  234.195  1475.72  315.708  1853.71  349.224  822.308   98.383  923.038   96.951 -100.7303 138.1258 
1 1 1    1   18    4 o  512.783   65.584  571.806  116.643  567.766  139.173  581.343  213.828  524.678   67.972  500.888  112.182 23.78949 131.1676 
1 1 1    1   18    5 o  800.142   93.185  1574.71  261.706  1712.56  327.349  1330.55  435.665  888.793   94.380  711.491  160.706 177.3019 186.3700 
1 1 1    1   18    6 o  473.107   66.933  511.882  112.327  545.765  136.371  440.388  198.092  514.105   67.973  432.108  115.325 81.99722 133.8665 
1 1 1    1   18    7 o  860.494   97.858  1811.13  296.141  1845.28  364.222  1744.51  508.696  913.348  102.188  807.640  166.920 105.7073 195.7155 
1 1 1    1   18    8 o  263.984   52.924  150.440   55.359  154.389   67.967  142.657   95.418  268.794   65.415  259.174   83.214 9.620331 105.8473 
1 1 1    1   18    9 o  512.497   71.557  547.923  143.113  547.923  143.113   0.0000   0.0000  512.497   71.557  ?   ?       ?      ? 
1 1 1    1   18   10 o  975.488  242.305  3454.39  918.247  3454.39  918.247   0.0000   0.0000  975.488  242.305  ?   ?       ?      ? 
1 1 1    1   18   11 o  638.257   61.015  469.929  108.166  295.405  114.960  1816.95  319.378  364.828   82.660  911.687   89.769 -546.8594 122.0297 
1 1 1    1   18   13 f  236.593   57.140  117.474   65.139   77.307   97.608  149.728   87.466  213.112   82.460  260.074   79.122 -46.96202 114.2799 
1 1 1    1   18   14 o  309.865   64.624  224.265   83.270  242.432  123.510  209.126  112.747  320.151   93.206  299.580   89.540 20.57089 129.2475 
1 1 1    1   18   15 o  474.620   69.035  498.848  134.214  193.342  171.043  988.363  216.510  287.569  109.693  661.672   83.850 -374.1025 138.0702 
1 1 1    1   18   16 o  328.108   66.546  267.399  105.444   77.052  154.595  432.985  144.190  231.317   98.256  424.899   89.772 -193.5821 133.0912 
1 1 1    1   18   17 o  217.260   91.365   72.835  131.530   72.835  131.530   0.0000   0.0000  217.260   91.365  ?   ?       ?      ? 
1 1 1    1   18   18 o  232.521  101.064   89.640  170.840   89.640  170.840   0.0000   0.0000  232.521  101.064  ?   ?       ?      ? 
1 1 1    1   18   19 o  189.634   89.576 -63.5375  174.051 -63.5375  174.051   0.0000   0.0000  189.634   89.576  ?   ?       ?      ? 
1 1 1    1   18   20 o  294.363   67.913  218.486  131.559 -230.0060  217.652  476.679  165.142  179.084   88.171  409.642  103.319 -230.5574 135.8270 
1 1 1    1   18   21 o  322.547   73.505  283.923   97.910  231.655  116.245  411.538  181.637  289.706   91.725  355.389  114.885 -65.68344 147.0101 
1 1 1    1   18   22 o  286.904   57.450  236.280   70.550  270.964   82.561  142.410  135.824  340.024   64.582  233.784   95.033 106.2404 114.9009 
1 1 1    1   18   23 o  246.317   61.642  157.254   65.667  149.640   73.210  188.597  148.538  243.391   72.018  249.243  100.062 -5.852112 123.2840 
1 1 1    1   18   24 o  159.593   52.835 -31.4156   74.042 -64.9383   88.639   45.975  134.680  130.947   62.448  188.239   85.244 -57.29178 105.6704 
1 1 1    1   18   25 o  179.365   48.983   59.345   63.818  141.270   74.016 -178.0274  125.988  227.686   73.309  131.045   64.986 96.64154 97.96648 
1 1 1    1   18   26 o  251.699   53.148  207.266   63.388  238.188   71.298   90.643  138.464  310.343   61.046  193.056   87.018 117.2875 106.2960 
1 1 1    1   18   27 o  221.458   53.514  153.753   61.141  181.178   70.737   72.743  121.575  259.980   68.692  182.936   82.076 77.04347 107.0282 
1 1 1    1   18   28 o  155.344   33.965   65.366   22.377   75.087   22.754 -220.6771  123.430  189.861   30.711  120.827   60.591 69.03408 67.92978 
1 1 1    1   18   29 o  200.288   42.608  113.175   28.842  118.061   29.362 -21.0536  153.889  237.038   31.742  163.538   79.084 73.50017 85.21646 
1 1 1    1   19    0 f  312.522   54.278  198.879   60.937  178.769   72.007  249.622  114.382  289.561   65.283  335.483   86.732 -45.92154 108.5553 
1 1 1    1   19    1 o  836.818   68.976  1529.53  224.726  1450.03  305.352  1623.46  331.930  814.583   96.058  859.052   99.014 -44.46918 137.9523 
1 1 1    1   19    2 o  223.861   51.784  103.957   47.961  112.398   54.158   73.274  103.259  230.439   59.731  217.283   84.607 13.15540 103.5673 
1 1 1    1   19    3 o  529.136   53.882  582.588  109.637  556.537  142.206  620.768  172.152  517.430   70.426  540.842   81.566 -23.41101 107.7631 
1 1 1    1   19    4 o  563.167   73.550  736.771  144.447  774.964  175.167  655.608  255.354  608.511   73.765  517.823  127.269 90.68768 147.1010 
1 1 1    1   19    5 o  625.415   76.883  906.420  168.626  934.784  205.848  848.556  294.010  664.286   79.407  586.543  131.676 77.74268 153.7667 
1 1 1    1   19    6 o  229.232   50.902  117.702   55.182  157.147   64.033   3.8666  108.779  271.704   61.788  186.761   80.909 84.94218 101.8036 
1 1 1    1   19    7 f  571.786   63.822  650.581  130.007  567.807  151.794  878.450  251.856  518.869   74.966  624.703  103.311 -105.8340 127.6443 
1 1 1    1   19    8 o  218.059   52.138   88.426   48.434   75.734   56.899  121.823   92.295  194.119   64.388  241.998   82.022 -47.87854 104.2756 
1 1 1    1   19    9 o  216.790   67.531   99.008   63.270   99.008   63.270   0.0000   0.0000  216.790   67.531  ?   ?       ?      ? 
1 1 1    1   19   10 f  418.296   64.168  401.079   99.975  416.646  125.026  373.474  166.490  442.741   72.363  393.852  105.990 48.88931 128.3370 
1 1 1    1   19   11 o  166.300   68.632   26.803   72.194   26.803   72.194   0.0000   0.0000  166.300   68.632  ?   ?       ?      ? 
1 1 1    1   19   12 o  272.890  107.826  153.439  169.815  153.439  169.815   0.0000   0.0000  272.890  107.826  ?   ?       ?      ? 
1 1 1    1   19   13 f  646.162   92.464  972.160  233.156  972.160  233.156   0.0000   0.0000  646.162   92.464  ?   ?       ?      ? 
1 1 1    1   19   14 o  407.466  100.315  417.820  158.443  417.820  158.443   0.0000   0.0000  407.466  100.315  ?   ?       ?      ? 
1 1 1    1   19   15 o  473.594  101.956  575.179  182.854  575.179  182.854   0.0000   0.0000  473.594  101.956  ?   ?       ?      ? 
1 1 1    1   19   16 o  195.723   86.604   23.554  130.618   23.554  130.618   0.0000   0.0000  195.723   86.604  ?   ?       ?      ? 
1 1 1    1   19   17 o  339.646  124.833  387.986  217.240  387.986  217.240   0.0000   0.0000  339.646  124.833  ?   ?       ?      ? 
1 1 1    1   19   18 f  451.632   77.419  607.739  180.894  127.306  244.973  1183.83  268.254  249.284  113.694  653.979  105.111 -404.6954 154.8381 
1 1 1    1   19   19 o  236.293   68.085  139.179   94.158   88.857  201.928  153.161  106.438  229.840  104.204  242.745   87.657 -12.90500 136.1695 
1 1 1    1   19   20 o  271.755   71.155  224.233  123.027 -46.5034  226.847  337.046  146.433  206.542   98.881  336.967  102.345 -130.4248 142.3091 
1 1 1    1   19   21 o  210.228   59.719   69.412   72.218   10.720   86.882  200.615  129.902  158.676   70.401  261.780   96.483 -103.1045 119.4372 
1 1 1    1   19   22 o  198.167   58.958   68.722   64.845   49.360   72.781  143.263  142.803  167.920   69.060  228.415   95.578 -60.49435 117.9168 
1 1 1    1   19   23 o  145.261   48.192 -34.7364   59.151 -57.6092   68.904   29.337  115.326  115.747   55.160  174.776   79.038 -59.02858 96.38303 
1 1 1    1   19   24 o  156.631   50.354   15.216   62.423   12.214   74.331   22.401  114.977  144.714   64.605  168.548   77.255 -23.83324 100.7083 
1 1 1    1   19   25 o  138.725   46.406 -31.9964   56.469 -51.4886   65.591   23.829  111.001  112.426   53.644  165.025   75.739 -52.59848 92.81189 
1 1 1    1   19   26 o  143.857   47.349  -4.6169   53.581 -13.5915   60.678   27.158  114.173  121.541   55.861  166.174   76.468 -44.63308 94.69893 
1 1 1    1   19   27 o  213.999   55.542  147.197   64.905  167.251   72.138   61.967  148.716  245.014   71.204  182.984   85.261 62.02908 111.0830 
1 1 1    1   19   28 f  256.903   49.769  210.619   42.964  215.379   44.135  124.455  187.775  317.168   35.658  196.638   92.933 120.5305 99.53875 
1 1 1    1   20    0 o  772.531   80.046  145.425  110.774  4481.06  710.990   37.561  112.144  1341.90  135.772  203.158   84.827 1138.746 160.0928 
1 1 1    1   20    1 o  658.268   80.715  928.032  207.344  928.032  207.344   0.0000   0.0000  658.268   80.715  ?   ?       ?      ? 
1 1 1    1   20    2 o  323.898   75.118  250.053  109.757  285.456  128.972  157.084  208.999  353.800   92.405  293.995  118.458 59.80576 150.2365 
1 1 1    1   20    3 o  229.686   63.963   65.829   45.641   61.135   46.991  144.039  191.796  175.785   58.524  283.586  113.754 -107.8011 127.9264 
1 1 1    1   20    4 o  341.819   66.185  250.412   85.095  250.412   85.095   0.0000   0.0000  341.819   66.185  ?   ?       ?      ? 
1 1 1    1   20    5 o  373.650   68.944  300.647   96.825  300.647   96.825   0.0000   0.0000  373.650   68.944  ?   ?       ?      ? 
1 1 1    1   20    6 o  350.717   68.541  266.092   90.445  266.092   90.445   0.0000   0.0000  350.717   68.541  ?   ?       ?      ? 
1 1 1    1   20    7 o  372.662   67.381  327.342   91.696  332.874  107.256  312.316  176.766  390.011   73.159  355.312  113.175 34.69928 134.7617 
1 1 1    1   20    8 o  163.463   50.368  -0.2555   45.016  -9.6993   49.095   49.593  112.795  120.828   53.298  206.098   85.480 -85.26990 100.7353 
1 1 1    1   20    9 o  362.813   66.129  327.938   92.909  361.579  112.564  256.035  164.566  403.934   74.142  321.692  109.522 82.24255 132.2578 
1 1 1    1   20   10 o  235.417   57.666  118.010   64.025  102.602   84.117  139.232   98.717  221.231   78.140  249.604   84.826 -28.37314 115.3317 
1 1 1    1   20   11 o  445.921   63.454  388.637  104.563  224.390  124.014  792.550  194.475  302.966   94.573  588.875   84.627 -285.9094 126.9089 
1 1 1    1   20   12 o  480.141   75.968  578.989  162.598  201.056  214.436  1090.21  249.400  288.068  118.514  672.215   95.073 -384.1471 151.9356 
1 1 1    1   20   13 o  351.264   93.860  312.537  131.115  312.537  131.115   0.0000   0.0000  351.264   93.860  ?   ?       ?      ? 
1 1 1    1   20   14 o  363.931  120.771  407.134  200.169  407.134  200.169   0.0000   0.0000  363.931  120.771  ?   ?       ?      ? 
1 1 1    1   20   15 o  309.822   63.975  244.103  111.940 -57.2781  170.915  470.494  148.133  190.639   89.656  429.004   91.286 -238.3652 127.9506 
1 1 1    1   20   16 o  199.236   89.399   29.755  144.279   29.755  144.279   0.0000   0.0000  199.236   89.399  ?   ?       ?      ? 
1 1 1    1   20   17 o  455.025  122.357  668.003  221.981  668.003  221.981   0.0000   0.0000  455.025  122.357  ?   ?       ?      ? 
1 1 1    1   20   18 o  255.876   68.968  187.111  108.938   3.9610  202.817  261.377  129.150  209.584   98.276  302.167   96.790 -92.58266 137.9368 
1 1 1    1   20   19 o  222.134  103.687   54.654  221.501   54.654  221.501   0.0000   0.0000  222.134  103.687  ?   ?       ?      ? 
1 1 1    1   20   20 o  346.717   86.731  526.571  186.270  179.535  314.528  714.034  231.169  248.443  118.247  444.990  126.911 -196.5469 173.4610 
1 1 1    1   20   21 o  162.613   72.329   19.711   92.266   0.0000   0.0000   19.711   92.266  ?   ?   162.613   72.329      ?      ? 
1 1 1    1   20   22 o  281.073   64.972  103.149   86.830 -41.1340   98.396  610.897  184.584  142.934   67.466  419.213  111.059 -276.2792 129.9447 
1 1 1    1   20   23 o  180.149   55.601   62.823   67.800   49.703   80.004   96.263  127.721  164.819   70.362  195.479   86.110 -30.65999 111.2016 
1 1 1    1   20   24 o  238.789   65.885   96.657   72.454   23.248   79.429  460.419  176.812  150.613   67.044  326.964  113.439 -176.3507 131.7695 
1 1 1    1   20   25 o  277.670   69.081  143.119   73.801   61.666   79.683  634.574  195.728  168.684   71.035  386.657  118.504 -217.9731 138.1629 
1 1 1    1   20   26 o  182.355   60.740   40.211  116.157 -77.0935  174.428  133.684  155.704  162.409   79.757  202.301   91.630 -39.89281 121.4791 
1 1 1    1   20   27 o  186.121   60.914   72.652   81.591   48.877   89.012  197.658  204.107  162.121   71.627  210.121   98.547 -48.00015 121.8275 
1 1 1    1   21    0 o  302.584   62.387  200.120   69.303  192.011   78.484  228.825  147.662  295.225   69.309  309.943  103.753 -14.71753 124.7740 
1 1 1    1   21    1 o  788.808  110.362  1497.46  339.720   0.0000   0.0000  1497.46  339.720  ?   ?   788.808  110.362      ?      ? 
1 1 1    1   21    2 o  476.782  108.232  557.642  196.771   0.0000   0.0000  557.642  196.771  ?   ?   476.782  108.232      ?      ? 
1 1 1    1   21    3 o  537.607  103.970  695.487  210.235   0.0000   0.0000  695.487  210.235  ?   ?   537.607  103.970      ?      ? 
1 1 1    1   21    4 o  260.300   60.951  152.772   63.735  162.189   69.515  103.110  159.639  271.444   66.215  249.157  102.352 22.28691 121.9029 
1 1 1    1   21    5 o  379.765   68.760  343.854   92.158  341.078  105.269  352.964  190.686  393.206   71.226  366.323  117.638 26.88245 137.5204 
1 1 1    1   21    6 o  124.100   42.708 -36.7884   31.618 -35.9625   32.974 -46.2119  111.381   82.305   38.912  165.894   76.039 -83.58873 85.41685 
1 1 1    1   21    7 o  173.041   51.963   12.953   45.762   0.4772   49.803   80.604  115.976  126.965   54.875  219.117   88.258 -92.15169 103.9266 
1 1 1    1   21    8 o  182.076   54.326   35.008   52.687   32.839   57.832   45.596  127.782  156.190   62.531  207.963   88.856 -51.77318 108.6528 
1 1 1    1   21    9 o  444.477   65.736  378.387   98.448  266.548  111.638  769.566  208.786  332.819   85.501  556.135   99.874 -223.3157 131.4728 
1 1 1    1   21   10 o  280.400   68.712  197.041   91.841  224.972  134.088  172.359  126.050  295.424   98.870  265.376   95.448 30.04810 137.4247 
1 1 1    1   21   11 o  423.626   82.347  523.839  151.841  318.770  210.592  745.880  219.133  322.875  122.061  524.376  110.568 -201.5006 164.6947 
1 1 1    1   21   12 o  321.741  115.852  314.368  185.751  314.368  185.751   0.0000   0.0000  321.741  115.852  ?   ?       ?      ? 
1 1 1    1   21   13 o  250.496   63.102  143.030   86.028   37.094  119.781  255.889  123.633  192.344   84.092  308.649   94.106 -116.3051 126.2040 
1 1 1    1   21   14 o  382.325  107.517  428.262  167.126  428.262  167.126   0.0000   0.0000  382.325  107.517  ?   ?       ?      ? 
1 1 1    1   21   15 o  190.591   85.157   27.981  129.441   27.981  129.441   0.0000   0.0000  190.591   85.157  ?   ?       ?      ? 
1 1 1    1   21   16 o  304.925  129.680  379.852  269.885  379.852  269.885   0.0000   0.0000  304.925  129.680  ?   ?       ?      ? 
1 1 1    1   21   17 o  276.191   71.048  238.026  117.727   30.032  206.949  337.540  143.145  214.303  100.096  338.080  100.856 -123.7776 142.0954 
1 1 1    1   21   18 o  241.361  103.893  164.130  177.051  164.130  177.051   0.0000   0.0000  241.361  103.893  ?   ?       ?      ? 
1 1 1    1   21   20 f  210.033   66.525  106.483  109.591 -66.3950  277.994  138.294  119.249  200.120   98.742  219.945   89.177 -19.82536 133.0508 
1 1 1    1   21   21 o  267.724   81.196  324.118  141.335  484.228  310.573  282.299  158.723  267.205  124.071  268.243  104.773 -1.038239 162.3917 
1 1 1    1   21   22 o  229.556   69.970  209.609  122.616   89.776  243.719  250.220  141.880  203.326   98.612  255.786   99.293 -52.45988 139.9403 
1 1 1    1   21   23 o  205.373   65.743  113.695  102.100  233.628  193.596   67.485  120.170  229.622  103.254  181.123   81.406 48.49940 131.4852 
1 1 1    1   21   24 o  194.743   60.226   55.560  107.635 -249.1528  177.429  232.991  135.393  143.260   71.952  246.226   96.601 -102.9666 120.4521 
1 1 1    1   21   25 o  262.870   72.724  110.056   86.960   0.8000   94.230  737.273  225.775  147.851   68.542  377.889  128.285 -230.0380 145.4480 
1 1 1    1   21   26 o  458.230   81.905  872.627  133.505  805.477  145.456  1231.64  336.326  550.869   67.663  365.592  149.183 185.2763 163.8107 
1 1 1    1   22    0 f  204.299   90.738   12.158  144.694   0.0000   0.0000   12.158  144.694  ?   ?   204.299   90.738      ?      ? 
1 1 1    1   22    1 o  393.291   67.931  322.015  103.937  177.315  124.929  647.375  187.331  271.968   95.297  514.614   96.836 -242.6462 135.8626 
1 1 1    1   22    2 o  457.031  115.758  563.359  206.683   0.0000   0.0000  563.359  206.683  ?   ?   457.031  115.758      ?      ? 
1 1 1    1   22    3 f  289.272   68.799  189.762   87.124  148.137  105.390  279.620  154.844  252.460   87.580  326.085  106.126 -73.62537 137.5973 
1 1 1    1   22    4 o  254.993  105.368  132.201  170.476   0.0000   0.0000  132.201  170.476  ?   ?   254.993  105.368      ?      ? 
1 1 1    1   22    5 o  231.767   64.943   91.128   77.069   64.263   88.662  174.176  155.885  194.662   77.596  268.872  104.160 -74.21078 129.8864 
1 1 1    1   22    6 o  159.542   51.448 -38.4607   47.323 -56.8050   50.855   79.998  129.231   99.877   47.540  219.207   91.255 -119.3300 102.8953 
1 1 1    1   22    7 o  200.385   56.911   32.164   55.364   1.3066   61.189  171.468  130.010  138.128   60.253  262.642   96.565 -124.5149 113.8213 
1 1 1    1   22    8 o  118.491   55.222 -43.7390   62.435 -43.7390   62.435   0.0000   0.0000  118.491   55.222  ?   ?       ?      ? 
1 1 1    1   22    9 o  311.540   79.127  286.999  121.910  280.295  161.779  295.808  185.448  311.066  108.476  312.015  115.228 -0.9493103 158.2546 
1 1 1    1   22   10 o  471.718  145.067  824.279  293.025   0.0000   0.0000  824.279  293.025  ?   ?   471.718  145.067      ?      ? 
1 1 1    1   22   11 o  208.111   63.640   67.034   90.150   72.500  160.365   64.509  109.004  218.446   96.345  197.775   83.173 20.67130 127.2792 
1 1 1    1   22   12 o  226.732   68.144   97.939   95.304  170.796  182.917   70.791  111.658  252.993  107.139  200.470   84.236 52.52272 136.2886 
1 1 1    1   22   13 o  181.224   86.320 -75.6972  168.290 -75.6972  168.290   0.0000   0.0000  181.224   86.320  ?   ?       ?      ? 
1 1 1    1   22   14 o  270.792   76.278  194.418  111.503  345.448  208.016  133.527  132.081  310.091  120.268  231.492   93.855 78.59845 152.5554 
1 1 1    1   22   15 o  161.369   78.936 -170.6184  165.792 -170.6184  165.792   0.0000   0.0000  161.369   78.936  ?   ?       ?      ? 
1 1 1    1   22   16 o  175.130   78.752   16.728  112.628   16.728  112.628   0.0000   0.0000  175.130   78.752  ?   ?       ?      ? 
1 1 1    1   22   17 f  315.086   76.906  338.002  116.126  276.128  158.858  409.009  170.178  284.420  106.327  345.751  111.143 -61.33081 153.8123 
1 1 1    1   22   18 o  290.563   67.471  244.488  115.088 -13.5070  161.521  510.548  164.026  181.347   85.853  399.780  104.110 -218.4325 134.9426 
1 1 1    1   22   19 o  387.014   85.370  575.792  160.867  274.197  201.938  1099.57  266.121  251.862  109.674  522.167  130.859 -270.3055 170.7408 
1 1 1    1   22   20 f  173.299   57.324   22.372   87.986   29.881  171.817   19.702  102.437  185.162   87.915  161.437   73.587 23.72508 114.6475 
1 1 1    1   22   21 o  257.617   77.638  363.410  162.776  131.708  327.632  439.346  187.562  209.402  104.006  305.832  115.296 -96.42909 155.2755 
1 1 1    1   22   22 o  201.318   65.487  119.702  117.405 -28.7836  292.386  148.245  128.193  191.271   95.520  211.365   89.611 -20.09399 130.9743 
1 1 1    1   22   23 o  165.868   54.287   25.857   83.129   31.326  115.882   20.059  119.318  166.958   76.907  164.778   76.641 2.180359 108.5750 
1 1 1    1   22   24 o  183.997   58.291   31.241   88.121 -88.5396  112.147  224.548  142.469  134.276   65.519  233.717   96.430 -99.44086 116.5820 
1 1 1    1   23    0 o  315.632   66.104  261.025   80.502  264.283   90.566  248.759  175.713  336.870   71.124  294.394  111.447 42.47610 132.2089 
1 1 1    1   23    1 o  327.954   67.740  277.069   83.709  271.149   94.729  298.168  178.821  339.278   73.660  316.630  113.706 22.64871 135.4799 
1 1 1    1   23    2 o  507.549  122.073  765.315  238.829   0.0000   0.0000  765.315  238.829  ?   ?   507.549  122.073      ?      ? 
1 1 1    1   23    3 o  217.784   63.198   85.865   60.369   85.786   63.214   86.683  203.491  197.137   67.861  238.431  106.635 -41.29333 126.3967 
1 1 1    1   23    4 o  289.632   75.543  241.585  112.604  258.598  134.984  202.657  204.192  307.071   99.014  272.193  114.119 34.87759 151.0862 
1 1 1    1   23    5 o  393.233  138.339  576.647  263.393   0.0000   0.0000  576.647  263.393  ?   ?   393.233  138.339      ?      ? 
1 1 1    1   23    6 o  292.794   75.382  238.545  105.854  212.034  127.400  297.650  190.227  279.009   96.321  306.579  115.983 -27.56985 150.7642 
1 1 1    1   23    7 o  242.897   65.153  123.106   70.954   98.388   79.099  224.924  160.538  207.798   75.484  277.997  106.216 -70.19934 130.3065 
1 1 1    1   23    8 o  158.030   67.387   24.056   73.231   24.056   73.231   0.0000   0.0000  158.030   67.387  ?   ?       ?      ? 
1 1 1    1   23    9 o  184.617   56.198   46.475   70.306   69.355   80.460 -27.3992  144.576  187.658   74.198  181.576   84.425 6.081329 112.3960 
1 1 1    1   23   10 o  327.148   76.589  305.855  105.134  264.659  123.294  415.628  201.261  308.392   93.966  345.905  120.970 -37.51334 153.1774 
1 1 1    1   23   11 o  151.303   51.346 -100.2797   87.171 -92.3446  129.271 -106.8967  118.048  156.534   74.861  146.073   70.294 10.46101 102.6913 
1 1 1    1   23   12 o  269.465   71.462  215.698  101.176  213.184  133.248  219.121  155.481  270.400   98.010  268.530  104.025 1.869598 142.9241 
1 1 1    1   23   13 o  265.610   72.312  188.181  107.904   88.279  138.039  345.124  173.015  211.200   91.320  320.020  112.147 -108.8203 144.6245 
1 1 1    1   23   14 o  210.836   91.734   91.666  141.041   91.666  141.041   0.0000   0.0000  210.836   91.734  ?   ?       ?      ? 
1 1 1    1   23   15 o  184.213   89.817 -105.5649  209.634 -105.5649  209.634   0.0000   0.0000  184.213   89.817  ?   ?       ?      ? 
1 1 1    1   23   16 o  254.145   71.680  218.270  111.251  135.631  157.076  301.449  157.589  219.944   96.224  288.345  106.270 -68.40045 143.3610 
1 1 1    1   23   17 o  228.021   67.005  163.053   97.671  226.252  150.020  116.556  128.679  249.357  100.400  206.686   88.761 42.67200 134.0100 
1 1 1    1   23   18 o  190.560   86.734   74.907  141.646   74.907  141.646   0.0000   0.0000  190.560   86.734  ?   ?       ?      ? 
1 1 1    1   23   19 o  266.213   75.902  319.091  124.362  265.605  182.924  365.059  169.582  243.298  105.161  289.128  109.478 -45.83025 151.8035 
1 1 1    1   23   20 o  239.141   70.158  229.241  123.418   47.288  192.649  355.902  160.734  188.615   90.516  289.667  107.216 -101.0512 140.3151 
1 1 1    1   23   21 o  166.634   56.033   7.1093   91.685 -42.0483  189.761   22.080  104.720  172.687   84.467  160.581   73.650 12.10637 112.0669 
1 1 1    1   23   22 o  238.025   73.178  277.435  144.613   75.113  239.860  392.976  181.261  193.987   94.903  282.062  111.417 -88.07483 146.3565 
1 1 1    1   23   23 o  231.216   71.361  213.955  143.559 -92.8584  209.886  483.681  196.792  165.964   82.566  296.469  116.414 -130.5048 142.7214 
1 1 1    1   24    0 o  178.664   58.731  -5.7190   74.182 -10.7480   80.994   20.460  184.794  147.515   66.517  209.812   96.814 -62.29662 117.4627 
1 1 1    1   24    1 o  508.100  134.980  893.767  272.177   0.0000   0.0000  893.767  272.177  ?   ?   508.100  134.980      ?      ? 
1 1 1    1   24    2 o  316.697   77.859  282.971  111.788  211.457  135.163  437.794  198.875  272.854   98.741  360.539  120.410 -87.68414 155.7187 
1 1 1    1   24    3 o  359.168   80.650  350.285  102.322  316.902  110.141  560.696  276.514  354.596   81.326  363.740  139.298 -9.143738 161.3008 
1 1 1    1   24    4 o  323.746   65.800  353.317  111.051  441.441  124.673   14.863  244.329  423.825   78.263  223.667  105.799 200.1586 131.5995 
1 1 1    1   24    5 o  174.052   57.029   13.156   54.754   12.792   57.133   17.255  191.724  138.224   59.246  209.880   97.463 -71.65546 114.0577 
1 1 1    1   24    6 o  139.287   48.871 -50.0512   46.132 -48.1660   48.013 -72.6972  166.412   97.990   46.511  180.584   85.966 -82.59406 97.74145 
1 1 1    1   24    7 o  372.473   89.888  501.741  154.802  466.206  199.130  556.017  246.102  369.442  120.354  375.505  133.546 -6.062836 179.7769 
1 1 1    1   24    8 o  157.729   68.412   19.702   77.957   19.702   77.957   0.0000   0.0000  157.729   68.412  ?   ?       ?      ? 
1 1 1    1   24    9 o  127.871   44.395 -95.4937   61.574 -66.3550   67.993 -228.3376  145.178  114.483   54.623  141.259   70.000 -26.77654 88.78980 
1 1 1    1   24   10 o  196.056   61.387   50.424   81.210   37.655   92.954   91.595  166.913  173.948   75.075  218.163   97.145 -44.21555 122.7738 
1 1 1    1   24   11 o  204.103   64.811   63.900  104.441   66.238  129.245   59.500  177.301  198.665   87.090  209.542   96.005 -10.87674 129.6211 
1 1 1    1   24   12 o  302.235   79.097  329.422  122.564  320.751  151.395  345.914  208.783  311.481  105.053  292.989  118.276 18.49231 158.1938 
1 1 1    1   24   13 o  254.703   72.665  177.927  113.920   51.738  143.662  391.691  186.982  193.227   87.716  316.179  115.873 -122.9518 145.3293 
1 1 1    1   24   14 f  214.876   66.730  103.272  106.806   16.583  136.843  238.398  170.848  177.926   82.525  251.827  104.887 -73.90178 133.4603 
1 1 1    1   24   15 o  227.027   69.962  159.968  140.862 -182.7546  252.912  314.094  169.604  177.560   88.697  276.495  108.219 -98.93507 139.9237 
1 1 1    1   24   16 o  159.716   53.097 -14.4615   84.547 -50.4645  115.715   26.771  123.834  147.870   70.747  171.561   79.195 -23.69142 106.1934 
1 1 1    1   24   17 o  283.760   71.217  258.129  114.282   51.836  145.538  589.900  184.567  182.470   84.795  385.050  114.444 -202.5797 142.4346 
1 1 1    1   24   18 o  233.215   67.340  178.219  109.995   7.2757  153.917  356.646  157.250  173.204   82.514  293.225  106.443 -120.0206 134.6802 
1 1 1    1   24   19 o  240.934   71.999  250.003  120.119  175.189  173.716  318.547  166.276  215.000   97.137  266.867  106.300 -51.86694 143.9977 
1 1 1    1   24   20 f  198.642   62.789  122.429  100.155   93.712  165.898  138.898  125.634  192.063   89.679  205.221   87.906 -13.15805 125.5774 
1 1 1    1   24   21 o  146.183   72.538 -139.4103  157.914 -139.4103  157.914   0.0000   0.0000  146.183   72.538  ?   ?       ?      ? 
1 1 1    1   25    0 o  156.369   48.513   15.739   55.836   37.521   66.366 -37.0335  103.301  159.453   65.805  153.285   71.301 6.168106 97.02646 
1 1 1    1   25    1 o  392.942   99.879  443.031  153.485   0.0000   0.0000  443.031  153.485  ?   ?   392.942   99.879      ?      ? 
1 1 1    1   25    2 o  341.873   74.937  330.468  107.433  506.953  184.614  240.099  132.105  398.747  113.307  284.999   98.101 113.7490 149.8741 
1 1 1    1   25    3 o  414.637  145.996  774.037  293.421   0.0000   0.0000  774.037  293.421  ?   ?   414.637  145.996      ?      ? 
1 1 1    1   25    4 o  325.203   81.021  381.129  148.668  545.696  197.762  167.268  225.444  404.095  118.027  246.310  111.028 157.7854 162.0415 
1 1 1    1   25    5 o  193.972   61.909   38.241   72.887   26.517   78.665  109.372  193.762  160.447   69.157  227.497  102.704 -67.05005 123.8171 
1 1 1    1   25    6 o  222.789   65.639  108.660   77.353   96.042   84.690  172.163  189.986  202.015   77.156  243.564  106.211 -41.54959 131.2776 
1 1 1    1   25    7 o  222.816   66.510   77.045   78.171   33.762   86.257  275.979  184.923  167.379   72.280  278.253  111.668 -110.8740 133.0195 
1 1 1    1   25    8 o  380.359   82.367  532.081  135.992  533.191  159.431  529.117  260.553  428.760   97.491  331.959  132.788 96.80106 164.7333 
1 1 1    1   25    9 o  248.485   65.049  196.523   97.972  260.164  113.661   12.544  193.253  298.637   90.049  198.332   93.898 100.3044 130.0982 
1 1 1    1   25   10 o  156.208   53.053 -53.6173   78.120 -68.4467   89.700  -7.0508  158.953  130.612   62.435  181.804   85.793 -51.19191 106.1067 
1 1 1    1   25   11 o  182.439   59.212   39.281   90.176   49.491  105.166   10.930  175.252  177.113   78.073  187.764   89.045 -10.65086 118.4247 
1 1 1    1   25   12 o  253.197   68.223   85.688   91.122 -45.4221  103.562  535.177  191.753  143.973   68.328  362.422  118.106 -218.4492 136.4466 
1 1 1    1   25   13 o  179.250   56.646   9.0495   74.920 -63.3031   89.017  184.772  138.727  128.752   61.719  229.748   95.003 -100.9952 113.2913 
1 1 1    1   25   14 o  199.217   61.233  109.552   86.803   96.447  110.211  130.963  140.872  191.999   82.290  206.435   90.699 -14.43604 122.4663 
1 1 1    1   25   15 o  202.437   67.042  117.030  133.115   8.8143  277.184  149.470  151.761  194.199   96.320  210.675   93.279 -16.47610 134.0839 
1 1 1    1   25   16 o  151.550   72.140 -30.6143  117.145 -30.6143  117.145   0.0000   0.0000  151.550   72.140  ?   ?       ?      ? 
1 1 1    1   25   17 o  176.018   81.290   46.726  130.692   46.726  130.692   0.0000   0.0000  176.018   81.290  ?   ?       ?      ? 
1 1 1    1   25   18 o  193.598   86.831  107.433  135.952  107.433  135.952   0.0000   0.0000  193.598   86.831  ?   ?       ?      ? 
1 1 1    1   25   19 o  152.486   73.772 -45.5393  134.282 -45.5393  134.282   0.0000   0.0000  152.486   73.772  ?   ?       ?      ? 
1 1 1    1   26    1 o  557.071  108.473  968.102  227.328  968.102  227.328   0.0000   0.0000  557.071  108.473  ?   ?       ?      ? 
1 1 1    1   26    2 o  309.125   90.318  279.074  115.790  279.074  115.790   0.0000   0.0000  309.125   90.318  ?   ?       ?      ? 
1 1 1    1   26    3 o  436.868   96.769  561.769  160.628  561.769  160.628   0.0000   0.0000  436.868   96.769  ?   ?       ?      ? 
1 1 1    1   26    4 o  169.302   73.034   42.560   87.881   42.560   87.881   0.0000   0.0000  169.302   73.034  ?   ?       ?      ? 
1 1 1    1   26    5 o  301.083   92.096  276.460  118.282  276.460  118.282   0.0000   0.0000  301.083   92.096  ?   ?       ?      ? 
1 1 1    1   26    6 o  302.077   91.686  280.254  117.549  280.254  117.549   0.0000   0.0000  302.077   91.686  ?   ?       ?      ? 
1 1 1    1   26    7 o  149.289   67.611   4.9072   84.743   4.9072   84.743   0.0000   0.0000  149.289   67.611  ?   ?       ?      ? 
1 1 1    1   26    8 f  259.317   91.765  219.324  116.060  219.324  116.060   0.0000   0.0000  259.317   91.765  ?   ?       ?      ? 
1 1 1    1   26    9 o  137.432   63.371 -12.8034   78.967 -12.8034   78.967   0.0000   0.0000  137.432   63.371  ?   ?       ?      ? 
1 1 1    1   26   10 o  114.768   56.184 -106.0135   84.487 -106.0135   84.487   0.0000   0.0000  114.768   56.184  ?   ?       ?      ? 
1 1 1    1   26   11 o  249.333   91.402  213.217  116.356  213.217  116.356   0.0000   0.0000  249.333   91.402  ?   ?       ?      ? 
1 1 1    1   26   12 o  142.376   65.422  -2.4230   83.160  -2.4230   83.160   0.0000   0.0000  142.376   65.422  ?   ?       ?      ? 
1 1 1    1   26   13 o  196.766   62.488   83.378   85.409   42.346   97.645  217.007  176.213  165.769   74.022  227.763  100.696 -61.99417 124.9757 
1 1 1    1   26   14 o  138.622   47.887 -94.8354   79.094 -133.0719   98.951 -27.1780  131.625  119.106   58.795  158.139   75.604 -39.03242 95.77482 
1 1 1    1   26   15 o  161.705   56.300 -60.9803  106.527 -33.7690  219.611 -69.3531  121.819  179.121   88.262  144.289   69.917 34.83238 112.5997 
1 1 1    1   26   16 o  220.074   64.464  118.037   98.576 -38.7407  126.274  362.652  157.729  151.725   72.936  288.423  106.314 -136.6982 128.9275 
1 1 1    1   26   17 o  169.089   56.737   23.325  100.911   7.3237  151.948   35.952  134.975  167.910   80.528  170.268   79.946 -2.358276 113.4735 
1 1 1    1   27    0 o  229.194   67.413  177.747  111.627  280.095  145.187   29.770  174.575  271.858  101.645  186.530   88.580 85.32759 134.8265 
1 1 1    1   27    1 o  210.918   59.656  132.983   77.681  165.610   98.573   79.518  126.185  232.186   84.277  189.650   84.456 42.53642 119.3121 
1 1 1    1   27    2 o  210.260   67.020  132.684  114.579  109.293  149.539  165.942  178.311  201.905   90.773  218.615   98.624 -16.70906 134.0391 
1 1 1    1   27    3 o  193.133   59.461   92.190   78.147   95.906   88.734   79.346  164.976  191.257   77.142  195.009   90.506 -3.752380 118.9216 
1 1 1    1   27    4 o  213.644   62.581  146.625   90.529  180.831  106.292   56.268  172.754  236.943   87.284  190.345   89.707 46.59851 125.1629 
1 1 1    1   27    5 o  212.177   61.714  142.385   83.158  158.637   97.343   98.490  159.976  226.360   83.506  197.994   90.891 28.36568 123.4275 
1 1 1    1   27    6 o  142.754   47.844 -25.3089   65.565 -14.8042   76.667 -53.9056  126.496  134.039   62.029  151.468   72.859 -17.42850 95.68715 
1 1 1    1   27    7 o   89.123   44.605 -146.7920   65.364 -146.7920   65.364   0.0000   0.0000   89.123   44.605  ?   ?       ?      ? 
1 1 1    1   27    8 o  170.614   53.948   39.699   69.911   6.9678   86.379  101.857  119.035  147.614   67.397  193.615   84.257 -46.00107 107.8966 
1 1 1    1   27    9 o  192.454   59.318   91.304   78.333   65.380   94.422  148.535  140.294  174.439   75.476  210.470   91.532 -36.03148 118.6367 
1 1 1    1   27   10 o  252.657   74.721  291.646  123.362  287.688  162.767  296.989  189.100  256.947  104.184  248.367  107.137 8.579941 149.4412 
1 1 1    1   27   11 o  160.138   51.877   9.8286   78.867   73.582   93.223 -150.6889  147.921  177.301   75.828  142.975   70.816 34.32605 103.7537 
1 1 1    1   27   12 o  177.746   59.619   19.144  107.641  122.919  170.837 -49.1774  138.617  200.068   92.587  155.424   75.135 44.64421 119.2381 
1 1 1    1   27   13 o  179.929   59.561   31.135  113.829 -159.4056  185.352  146.509  144.231  154.298   76.896  205.560   90.979 -51.26228 119.1222 
1 1 1    1   27   14 o  172.204   58.110   20.231  110.640 -54.6657  179.463   66.150  140.522  164.777   80.916  179.632   83.425 -14.85495 116.2196 
1 1 1    1   27   15 o  264.395  114.759  454.702  219.671   0.0000   0.0000  454.702  219.671  ?   ?   264.395  114.759      ?      ? 
1 1 1    1   28    0 o  215.900   68.924  168.756  130.977  259.367  171.434   41.706  202.999  242.778  103.305  189.023   91.269 53.75470 137.8472 
1 1 1    1   28    1 o  234.726   66.783  207.113   95.612  221.597  118.881  180.585  160.889  250.496   92.303  218.957   96.539 31.53931 133.5652 
1 1 1    1   28    2 o  270.659   67.856  321.163  121.454  421.541  139.802   12.271  245.245  351.026   98.203  190.292   93.671 160.7334 135.7128 
1 1 1    1   28    3 o  235.126   74.831  251.611  138.864  196.300  172.518  353.395  234.026  221.924   98.795  248.327  112.419 -26.40361 149.6615 
1 1 1    1   28    4 o  229.712   71.302   64.810  118.078 -127.6573  139.186  558.978  223.025  142.769   70.334  316.655  124.054 -173.8857 142.6048 
1 1 1    1   28    5 o  196.570   64.741   76.782  107.553   15.618  126.892  232.837  202.687  166.757   78.047  226.384  103.315 -59.62706 129.4810 
1 1 1    1   28    6 o  174.832   58.567   21.044  107.546   60.292  133.091 -52.8030  182.561  180.400   82.846  169.264   82.805 11.13553 117.1332 
1 1 1    1   28    7 o  161.869   78.660 -50.6288  157.126 -50.6288  157.126   0.0000   0.0000  161.869   78.660  ?   ?       ?      ? 
1 1 1    1   28    8 o  163.304   56.261 -51.1339  115.859 -96.7838  180.331 -19.0439  151.194  161.343   79.594  165.265   79.536 -3.922470 112.5217 
1 1 1    1   28    9 o  184.582   59.171   61.964   82.719   15.295   97.834  178.978  154.915  154.199   70.894  214.965   94.757 -60.76561 118.3423 
1 1 1    1   28   10 o  136.518   47.083 -62.0185   66.691 -78.3136   76.779 -11.9391  134.599  113.132   54.979  159.904   76.449 -46.77191 94.16555 
1 1 1    1   28   11 o  134.324   46.243 -54.7914   64.567 -63.0537   74.151 -28.8830  131.307  114.555   55.274  154.094   74.150 -39.53937 92.48512 
1 1 1    1   29    0 o  176.727   57.274   56.402   93.746  107.929  101.954 -225.4886  238.466  191.890   80.555  161.563   81.438 30.32785 114.5475 
1 1 1    1   29    1 o  273.419   76.187  385.478  129.193  376.371  143.079  425.684  300.623  311.001  102.053  235.836  113.149 75.16518 152.3730 
1 1 1    1   29    2 o  167.908   58.854 -11.9751   85.196 -24.6181   89.334  115.104  283.222  136.777   64.476  199.039   98.478 -62.26163 117.7073 
1 1 1    1   29    3 o  238.811   78.195  378.639  180.462  416.522  223.800  308.222  305.125  258.687  113.968  218.936  107.093 39.75154 156.3898 
1 1 1    1   29    4 o  171.061   57.801   24.747  102.173   59.975  110.908 -172.8393  262.663  172.485   77.801  169.638   85.503 2.847382 115.6015 
1 1 1    1   29    5 o  255.535   71.925  349.167  137.294  418.123  154.339   87.690  300.544  316.379  106.073  194.690   97.167 121.6888 143.8501 
1 1 1    1   29    6 o  191.314   66.313   10.039  109.389 -77.9242  119.608  459.862  270.477  139.092   67.823  243.536  113.971 -104.4437 132.6251 
1 1 1    1   29    7 o  343.615  100.336  1186.51  240.146  1038.91  278.326  1616.52  475.058  391.077  141.666  296.152  142.127 94.92459 200.6721 
1 1 1    2    0    1 o  594.598   27.307  701.292   88.742  701.292   88.742  701.292   88.742  594.598   38.618  594.598   38.618 -0.000000 0.000000 
1 1 1    2    0    2 o  1132.44   83.787  2675.75  510.526  2675.75  510.526  2675.75  510.526  1132.44  118.493  1132.44  118.493 0.000000 0.000000 
1 1 1    2    0    3 o  519.472   26.017  536.370   73.729  536.370   73.729  536.370   73.729  519.472   36.794  519.472   36.794 -0.000000 0.000000 
1 1 1    2    0    4 o  748.886   21.277  1102.42   87.616  1102.42   87.616  1102.42   87.616  748.886   30.091  748.886   30.091 0.000000 0.000000 
1 1 1    2    0    5 f  670.040   28.784  889.941  105.540  889.941  105.540  889.941  105.540  670.040   40.707  670.040   40.707 0.000000 0.000000 
1 1 1    2    0    6 o  1722.97   38.594  5864.25  366.150  5864.25  366.150  5864.25  366.150  1722.97   54.580  1722.97   54.580 -0.000000 0.000000 
1 1 1    2    0    7 o  265.196   16.168  140.500   23.259  140.500   23.259  140.500   23.259  265.196   22.865  265.196   22.865 0.000000 0.000000 
1 1 1    2    0    8 o  1402.28   32.520  3879.61  251.059  3879.61  251.059  3879.61  251.059  1402.28   45.991  1402.28   45.991 0.000000 0.000000 
1 1 1    2    0    9 o  584.465   19.118  672.857   61.367  672.857   61.367  672.857   61.367  584.465   27.037  584.465   27.037 0.000000 0.000000 
1 1 1    2    0   10 o  351.666   16.722  245.220   32.118  245.220   32.118  245.220   32.118  351.666   23.649  351.666   23.649 -0.000000 0.000000 
1 1 1    2    0   11 o  589.684   27.529  693.527   88.693  693.527   88.693  693.527   88.693  589.684   38.932  589.684   38.932 -0.000000 0.000000 
1 1 1    2    0   12 o  190.801   27.357   79.842   25.504   79.842   25.504   79.842   25.504  190.801   38.689  190.801   38.689 -0.000000 0.000000 
1 1 1    2    0   13 o  585.604   19.210  677.867   61.778  677.867   61.778  677.867   61.778  585.604   27.167  585.604   27.167 -0.000000 0.000000 
1 1 1    2    0   14 o  178.755   18.023   66.362   16.734   66.362   16.734   66.362   16.734  178.755   25.489  178.755   25.489 0.000000 0.000000 
1 1 1    2    0   15 o  430.200   17.532  366.356   41.308  366.356   41.308  366.356   41.308  430.200   24.794  430.200   24.794 -0.000000 0.000000 
1 1 1    2    0   16 o  1243.51   29.753  3061.77  203.660  3061.77  203.660  3061.77  203.660  1243.51   42.078  1243.51   42.078 0.000000 0.000000 
1 1 1    2    0   17 o  1116.89   39.331  2494.60  241.061  2494.60  241.061  2494.60  241.061  1116.89   55.622  1116.89   55.622 0.000000 0.000000 
1 1 1    2    0   18 o  773.773   21.906  1179.65   93.204  1179.65   93.204  1179.65   93.204  773.773   30.979  773.773   30.979 -0.000000 0.000000 
1 1 1    2    0   19 f  383.344   17.418  291.123   36.501  291.123   36.501  291.123   36.501  383.344   24.633  383.344   24.633 0.000000 0.000000 
1 1 1    2    0   20 o  748.735   21.559  1104.40   88.748  1104.40   88.748  1104.40   88.748  748.735   30.489  748.735   30.489 0.000000 0.000000 
1 1 1    2    0   21 o  596.393   19.630  701.376   64.291  701.376   64.291  701.376   64.291  596.393   27.761  596.393   27.761 -0.000000 0.000000 
1 1 1    2    0   22 o  579.224   19.410  661.868   61.730  661.868   61.730  661.868   61.730  579.224   27.450  579.224   27.450 -0.000000 0.000000 
1 1 1    2    0   23 o  460.568   18.454  419.584   46.563  419.584   46.563  419.584   46.563  460.568   26.098  460.568   26.098 -0.000000 0.000000 
1 1 1    2    0   24 o  786.097   22.327  1219.37   96.509  1219.37   96.509  1219.37   96.509  786.097   31.576  786.097   31.576 0.000000 0.000000 
1 1 1    2    0   25 o  156.333   45.159   67.968   38.357   67.968   38.357   67.968   38.357  156.333   63.864  156.333   63.864 0.000000 0.000000 
1 1 1    2    0   26 o  752.211   22.135  1119.08   91.528  1119.08   91.528  1119.08   91.528  752.211   31.304  752.211   31.304 -0.000000 0.000000 
1 1 1    2    0   27 o  655.749   20.947  852.021   75.454  852.021   75.454  852.021   75.454  655.749   29.623  655.749   29.623 -0.000000 0.000000 
1 1 1    2    0   28 o  250.593   20.903  128.893   27.852  128.893   27.852  128.893   27.852  250.593   29.561  250.593   29.561 0.000000 0.000000 
1 1 1    2    0   29 o  417.318   25.784  354.710   58.341  354.710   58.341  354.710   58.341  417.318   36.464  417.318   36.464 -0.000000 0.000000 
1 1 1    2    0   30 o  449.248   26.320  411.949   64.225  411.949   64.225  411.949   64.225  449.248   37.222  449.248   37.222 -0.000000 0.000000 
1 1 1    2    0   31 o  401.473   20.299  324.519   44.447  324.519   44.447  324.519   44.447  401.473   28.707  401.473   28.707 -0.000000 0.000000 
1 1 1    2    0   32 o  595.051   21.649  710.947   70.667  710.947   70.667  710.947   70.667  595.051   30.617  595.051   30.617 0.000000 0.000000 
1 1 1    2    0   33 o  118.303   33.258   39.225   20.970   39.225   20.970   39.225   20.970  118.303   47.034  118.303   47.034 -0.000000 0.000000 
1 1 1    2    0   34 o  126.876   35.184   45.403   23.595   45.403   23.595   45.403   23.595  126.876   49.757  126.876   49.757 0.000000 0.000000 
1 1 1    2    0   35 f   37.777   18.617 -12.5130   14.005 -12.5130   14.005 -12.5130   14.005   37.777   26.329   37.777   26.329 0.000000 0.000000 
1 1 1    2    0   36 o  345.298   51.894  296.454   86.936  296.454   86.936  296.454   86.936  345.298   73.389  345.298   73.389 0.000000 0.000000 
1 1 1    2    0   37 o  418.078   22.741  360.452   51.757  360.452   51.757  360.452   51.757  418.078   32.161  418.078   32.161 -0.000000 0.000000 
1 1 1    2    1    0 o  1224.20  195.231  3534.70  932.680   0.0000   0.0000  3534.70  932.680  ?   ?   1224.20  195.231      ?      ? 
1 1 1    2    1    1 o  400.113   45.466  292.228   47.245  280.790   50.492  372.684  133.911  378.134   34.217  422.092   84.249 -43.95831 90.93230 
1 1 1    2    1    2 o  406.957   52.041  314.494   78.312  176.967   99.052  543.775  127.896  291.684   83.035  522.230   62.757 -230.5458 104.0829 
1 1 1    2    1    3 o  292.533   52.836  177.403   61.133  140.260   84.529  218.135   88.519  261.433   77.392  323.634   71.952 -62.20139 105.6722 
1 1 1    2    1    4 o  852.480  135.042  1567.93  449.247   0.0000   0.0000  1567.93  449.247  ?   ?   852.480  135.042      ?      ? 
1 1 1    2    1    5 o  668.482   24.693  888.906   61.810  839.483  101.484  918.052   77.933  652.794   39.837  684.170   29.189 -31.37598 49.38639 
1 1 1    2    1    6 o  1178.89   28.660  2720.67  131.177  2929.30  198.028  2557.53  175.105  1218.53   41.644  1139.24   39.387 79.28809 57.31995 
1 1 1    2    1    7 o  609.275   19.249  727.980   45.764  723.560   64.365  732.499   65.081  607.412   27.154  611.137   27.289 -3.724854 38.49715 
1 1 1    2    1    8 o  903.893   23.708  1604.37   83.507  1671.03  122.155  1545.89  114.417  921.378   33.974  886.409   33.077 34.96863 47.41616 
1 1 1    2    1    9 o  739.112   21.133  1074.10   60.952  1080.81   86.624  1067.52   85.782  741.389   29.941  736.836   29.833 4.552551 42.26607 
1 1 1    2    1   10 o  438.448   17.270  377.350   29.549  375.892   41.595  378.835   41.984  437.600   24.357  439.296   24.490 -1.695557 34.54062 
1 1 1    2    1   11 o  596.037   23.687  716.615   52.482  752.094   65.945  655.327   86.674  617.938   27.347  574.135   38.685 43.80292 47.37495 
1 1 1    2    1   12 f  359.806   23.798  256.507   33.287  289.441   48.318  226.757   45.923  381.964   32.416  337.649   34.852 44.31534 47.59665 
1 1 1    2    1   13 o  639.136   19.888  808.430   49.601  819.352   70.536  797.745   69.763  643.417   28.092  634.855   28.159 8.562012 39.77558 
1 1 1    2    1   14 o  391.454   21.033  306.970   30.307  293.425   51.729  314.050   37.398  383.754   34.542  399.154   24.009 -15.39993 42.06679 
1 1 1    2    1   15 o  465.404   17.725  426.612   32.191  429.046   45.518  424.177   45.533  466.745   24.990  464.063   25.143 2.682281 35.44965 
1 1 1    2    1   16 o  1229.29   29.638  3014.76  142.180  3008.81  200.559  3020.77  201.591  1228.12   41.848  1230.47   41.982 -2.352417 59.27686 
1 1 1    2    1   17 o  696.049   41.512  963.809  112.757  963.809  112.757   0.0000   0.0000  696.049   41.512  ?   ?       ?      ? 
1 1 1    2    1   18 o  753.008   26.335  1132.04   73.626  1089.71  123.728  1155.24   91.612  740.288   42.829  765.727   30.658 -25.43835 52.67086 
1 1 1    2    1   19 o  249.512   16.438  121.940   15.992  115.611   22.154  128.827   23.109  242.754   23.386  256.270   23.107 -13.51593 32.87622 
1 1 1    2    1   20 f  696.900   20.753  955.137   56.410  931.340   78.287  980.834   81.354  687.917   29.162  705.882   29.533 -17.96466 41.50507 
1 1 1    2    1   21 o  767.599   21.821  1161.39   65.359  1151.73   91.649  1171.39   93.233  764.386   30.724  770.813   30.995 -6.426208 43.64252 
1 1 1    2    1   22 o  870.850   23.435  1498.67   79.641  1506.67  112.914  1490.76  112.347  873.164   33.138  868.537   33.147 4.626770 46.87012 
1 1 1    2    1   23 o  556.446   19.274  609.709   41.852  609.690   59.028  609.728   59.347  556.451   27.183  556.442   27.330 0.9887695E-02 38.54715 
1 1 1    2    1   24 o  593.643   24.516  695.763   53.482  706.539   93.054  690.447   65.354  595.525   40.041  591.761   28.301 3.764526 49.03263 
1 1 1    2    1   25 o  275.403   26.510  139.322   23.914  130.366   26.871  173.432   52.443  257.137   26.778  293.669   45.761 -36.53214 53.02067 
1 1 1    2    1   26 f  741.650   22.000  1091.39   63.666  1088.76   89.396  1094.10   90.692  740.817   30.923  742.483   31.301 -1.666565 43.99925 
1 1 1    2    1   27 o  430.982   18.995  367.832   31.908  362.848   43.937  373.394   46.415  428.032   26.304  433.933   27.410 -5.900787 37.98948 
1 1 1    2    1   28 o  231.182   21.032  108.299   18.656  126.724   25.903   88.438   26.893  252.501   26.288  209.863   32.838 42.63821 42.06367 
1 1 1    2    1   29 o  414.966   22.288  346.294   34.877  344.146   43.988  349.931   57.235  414.936   27.166  414.997   35.342 -0.6066895E-01 44.57577 
1 1 1    2    1   30 o  604.742   30.589  739.174   72.189   0.0000   0.0000  739.174   72.189  ?   ?   604.742   30.589      ?      ? 
1 1 1    2    1   31 o  187.448   23.488   72.786   16.627   88.951   24.096   58.093   22.972  209.788   29.433  165.107   36.613 44.68111 46.97668 
1 1 1    2    1   32 o  743.089   23.418  1131.61   67.891  1139.65   95.207  1123.29   96.839  746.227   32.694  739.952   33.536 6.274414 46.83545 
1 1 1    2    1   33 o  508.343   21.812  529.577   43.226  517.376   59.565  543.151   62.827  502.544   30.373  514.142   31.313 -11.59802 43.62367 
1 1 1    2    1   34 o  159.183   27.913   55.969   17.200   60.377   25.629   52.357   23.202  164.602   40.237  153.764   38.696 10.83820 55.82519 
1 1 1    2    1   35 o  156.793   28.920   55.142   17.804   58.209   26.666   52.676   23.915  160.231   42.098  153.355   39.664 6.876099 57.84053 
1 1 1    2    1   36 o  221.292   51.646  136.798   53.748   91.947   73.153  189.414   79.233  185.238   71.467  257.347   74.576 -72.10875 103.2913 
1 1 1    2    1   37 o  211.053   37.819  135.036   32.830  155.491   35.972   33.058   80.319  270.271   34.106  151.835   67.512 118.4354 75.63822 
1 1 1    2    2    0 o  513.251   71.646  559.395  138.405  570.513  196.519  548.453  194.960  518.651  100.726  507.851  101.916 10.79956 143.2922 
1 1 1    2    2    1 o  381.615   62.080  307.287   90.545  296.279  127.395  318.525  128.717  374.453   88.569  388.777   87.012 -14.32425 124.1592 
1 1 1    2    2    2 o  1002.18   70.854  2057.10  275.886  2343.98  407.143  1813.55  375.142  1067.69   97.717  936.682  102.629 131.0045 141.7090 
1 1 1    2    2    3 o  636.779   50.751  813.983  126.052  850.183  180.948  779.854  175.696  650.652   71.265  622.906   72.278 27.74561 101.5026 
1 1 1    2    2    4 o  714.231   82.989  1076.60  231.304  1086.66  327.928  1066.64  326.303  717.678  117.089  710.784  117.639 6.894226 165.9787 
1 1 1    2    2    5 o  554.627   72.329  646.425  153.049  721.010  221.938  578.794  211.339  591.188   96.200  518.065  108.034 73.12280 144.6574 
1 1 1    2    2    6 o  904.749   70.689  1643.00  119.831  1634.79  123.748  1766.58  480.094  911.722   34.781  897.776  137.034 13.94635 141.3786 
1 1 1    2    2    7 o  160.654   21.597   61.646   12.203   80.566   15.139   26.559   20.617  202.938   19.117  118.370   38.734 84.56762 43.19475 
1 1 1    2    2    8 o  723.062   20.980  1021.60   59.027  1105.22   87.605  952.066   79.881  749.969   29.933  696.155   29.404 53.81445 41.95938 
1 1 1    2    2    9 o  556.006   18.631  606.630   40.411  627.317   57.868  586.938   56.459  565.269   26.233  546.744   26.462 18.52423 37.26115 
1 1 1    2    2   10 o  292.832   22.843  168.246   26.104   0.0000   0.0000  168.246   26.104  ?   ?   292.832   22.843      ?      ? 
1 1 1    2    2   11 o  357.483   23.741  253.010   33.037  277.466   47.320  229.756   46.143  374.517   32.378  340.450   34.732 34.06683 47.48249 
1 1 1    2    2   12 o  563.623   23.386  645.939   48.936  685.700   61.654  578.237   80.452  589.334   26.808  537.913   38.326 51.42108 46.77123 
1 1 1    2    2   13 o  330.200   16.564  214.842   21.342  212.350   29.909  217.427   30.463  328.261   23.348  332.140   23.503 -3.878998 33.12852 
1 1 1    2    2   14 o  423.576   21.431  355.911   33.360  354.898   57.772  356.417   40.860  421.993   35.082  425.160   24.627 -3.166321 42.86279 
1 1 1    2    2   15 o  385.634   17.077  292.082   25.627  323.968   37.064  262.876   35.472  405.860   23.401  365.407   24.876 40.45233 34.15301 
1 1 1    2    2   16 f  929.690   30.464  1626.69   98.006  1520.71  113.124  1945.60  196.238  876.830   33.060  982.551   51.180 -105.7216 60.92893 
1 1 1    2    2   17 o  807.288   31.814  1276.89   99.145  1145.31  129.145  1465.75  154.721  758.086   43.654  856.490   46.291 -98.40350 63.62807 
1 1 1    2    2   18 f  345.785   17.137  235.014   23.086  249.733   32.565  220.146   32.731  356.753   23.391  334.817   25.051 21.93640 34.27401 
1 1 1    2    2   19 o  574.023   19.161  647.662   42.918  658.990   60.769  636.388   60.623  579.063   26.892  568.983   27.303 10.07977 38.32264 
1 1 1    2    2   20 o  781.127   22.033  1202.33   67.158  1200.97   94.441  1203.72   95.520  780.720   30.998  781.534   31.319 -0.8146973 44.06554 
1 1 1    2    2   21 o  574.200   19.551  647.018   43.720  708.049   63.477  591.938   60.303  599.986   27.111  548.414   28.177 51.57202 39.10190 
1 1 1    2    2   22 o  739.245   21.534  1076.94   62.095  1114.12   89.408  1042.30   86.305  751.550   30.485  726.940   30.423 24.60992 43.06865 
1 1 1    2    2   23 o  1001.30   25.710  1987.78  100.431  1962.66  139.947  2014.46  144.210  994.924   36.045  1007.69   36.672 -12.76208 51.42071 
1 1 1    2    2   24 o  533.401   23.770  555.362   47.056  589.579   81.087  537.988   57.780  544.476   38.163  522.325   28.347 22.15131 47.53904 
1 1 1    2    2   25 o  299.961   27.457  164.175   25.614  154.990   28.283  206.075   60.407  280.453   25.842  319.468   48.454 -39.01538 54.91447 
1 1 1    2    2   26 o  272.447   19.713  145.623   20.855  135.020   27.846  159.166   31.471  261.322   27.306  283.571   28.439 -22.24911 39.42571 
1 1 1    2    2   27 o  504.078   19.539  504.239   38.365  505.262   52.732  503.089   55.922  504.881   26.764  503.276   28.474 1.604828 39.07780 
1 1 1    2    2   28 o  355.198   19.278  248.847   26.568  229.982   35.334  273.388   40.300  340.018   26.629  370.378   27.882 -30.35995 38.55571 
1 1 1    2    2   29 o  200.350   24.043   81.749   18.267   69.315   24.697   96.768   27.143  181.680   36.107  219.019   31.757 -37.33958 48.08560 
1 1 1    2    2   30 o  468.988   24.322  451.056   43.452  437.295   68.642  460.258   56.130  460.602   38.189  477.374   30.130 -16.77249 48.64352 
1 1 1    2    2   31 o  378.283   20.800  290.887   30.504  310.579   41.861  268.592   44.543  392.922   27.301  363.644   31.388 29.27832 41.59982 
1 1 1    2    2   32 o  473.571   21.056  455.733   38.760  458.100   52.656  452.933   57.264  475.780   28.360  471.362   31.131 4.418274 42.11238 
1 1 1    2    2   33 o  367.324   21.677  276.738   30.948  275.366   41.924  278.380   45.878  367.126   29.263  367.522   31.988 -0.3962097 43.35390 
1 1 1    2    2   34 o  416.887   21.262  359.289   34.532  380.770   48.726  337.614   48.945  430.205   29.024  403.569   31.079 26.63641 42.52348 
1 1 1    2    2   35 o   64.315   20.145  -2.7841   9.8479 -26.1650   20.641   4.1069   11.206   61.951   29.703   66.679   27.222 -4.728325 40.29050 
1 1 1    2    2   36 o  220.998   37.953  124.734   28.706  100.550   64.483  130.711   32.057  192.735   68.379  249.260   32.957 -56.52487 75.90690 
1 1 1    2    2   37 o  224.908   34.833  157.373   33.313  202.016   38.419   22.118   66.873  309.678   31.791  140.137   61.990 169.5406 69.66673 
1 1 1    2    3    0 o  794.723   92.463  1362.27  280.176  1493.66  407.313  1244.26  386.003  838.494  124.479  750.951  136.757 87.54352 184.9259 
1 1 1    2    3    1 o  561.453   75.405  672.963  159.171  666.070  224.595  679.919  225.611  558.366  106.968  564.541  106.308 -6.174500 150.8102 
1 1 1    2    3    2 o  492.516   44.443  431.097   78.817  631.955  151.542  356.618   92.280  561.340   69.179  423.691   55.812 137.6490 88.88598 
1 1 1    2    3    3 o  443.679   43.513  392.626   75.250  418.787  107.558  367.543  105.317  458.372   60.130  428.986   62.911 29.38623 87.02515 
1 1 1    2    3    4 o  1130.13  130.753  3001.58  561.102  3474.79  837.245  2615.75  755.996  1223.72  175.323  1036.53  194.029 187.1860 261.5063 
1 1 1    2    3    5 o  744.963   86.281  1187.07  250.825  1199.65  355.780  1174.64  353.668  749.050  121.714  740.875  122.326 8.174683 172.5628 
1 1 1    2    3    6 o  896.206  102.038  1792.06  356.858  1777.60  503.433  1806.67  505.924  892.368  144.566  900.044  144.042 -7.676270 204.0771 
1 1 1    2    3    7 o  165.585   30.657   58.604   16.912   62.251   18.448   39.404   42.326  178.146   26.537  153.024   55.274 25.12207 61.31373 
1 1 1    2    3    8 o  347.448   43.112  243.092   30.713  242.326   31.986  252.160  109.986  351.613   23.311  343.284   83.013 8.329193 86.22356 
1 1 1    2    3    9 o  415.357   20.464  349.268   31.980  387.103   41.598  294.588   50.008  444.187   23.998  386.526   33.153 57.66074 40.92733 
1 1 1    2    3   10 o  469.181   25.073  425.755   45.307  535.011   69.879  346.515   59.510  520.118   34.428  418.243   36.461 101.8757 50.14682 
1 1 1    2    3   11 o  280.977   21.846  171.223   21.531  204.184   27.057  114.312   35.553  322.410   21.505  239.545   38.033 82.86542 43.69202 
1 1 1    2    3   12 o  415.370   21.840  355.977   33.270  390.423   41.858  296.881   54.826  445.083   24.099  385.656   36.429 59.42734 43.67921 
1 1 1    2    3   13 o  250.054   16.363  123.013   15.947  114.808   22.125  131.885   23.007  241.352   23.491  258.756   22.784 -17.40485 32.72556 
1 1 1    2    3   14 o  302.813   20.545  182.468   22.835  178.255   39.436  184.593   28.008  299.438   33.749  306.188   23.441 -6.749390 41.09056 
1 1 1    2    3   15 o  254.346   19.265  125.976   18.281  122.377   22.593  132.801   31.110  249.505   23.204  259.187   30.758 -9.682190 38.52926 
1 1 1    2    3   16 o  385.200   20.672  293.782   29.470  296.580   36.424  288.480   50.145  388.510   24.025  381.891   33.647 6.619202 41.34408 
1 1 1    2    3   17 f  387.138   21.589  303.170   31.093  267.417   50.709  324.711   39.360  367.701   35.339  406.574   24.807 -38.87244 43.17702 
1 1 1    2    3   18 o  1177.53   28.697  2749.34  131.825  2807.32  189.374  2694.84  183.618  1189.46   40.798  1165.59   40.368 23.86804 57.39370 
1 1 1    2    3   19 o  737.437   21.422  1066.52   61.521  1144.63   90.518  999.465   83.871  762.402   30.424  712.473   30.165 49.92896 42.84370 
1 1 1    2    3   20 o  1034.72   26.209  2118.43  105.824  2143.80  150.497  2093.61  148.833  1040.85   37.052  1028.58   37.079 12.26855 52.41836 
1 1 1    2    3   21 o  616.758   20.222  749.255   48.622  756.077   67.438  741.869   70.168  619.821   27.881  613.696   29.299 6.125366 40.44490 
1 1 1    2    3   22 o  644.137   20.436  817.686   51.356  842.011   72.776  793.558   72.481  653.762   28.526  634.512   29.272 19.24988 40.87281 
1 1 1    2    3   23 o  621.125   24.713  755.075   56.925  793.985   98.043  735.288   69.916  631.666   39.774  610.583   29.343 21.08289 49.42626 
1 1 1    2    3   24 o  804.389   22.948  1275.54   71.783  1226.19   96.842  1335.72  106.942  787.507   31.512  821.271   33.368 -33.76471 45.89582 
1 1 1    2    3   25 o  255.496   38.698  159.155   26.879  168.697   28.886   97.559   73.390  292.617   25.296  218.375   73.145 74.24205 77.39584 
1 1 1    2    3   26 o  403.877   19.667  318.398   30.639  295.633   39.873  351.221   47.878  386.768   26.418  420.986   29.143 -34.21729 39.33474 
1 1 1    2    3   27 o  441.998   20.407  392.950   34.754  447.371   48.098  333.495   50.273  475.190   25.937  408.805   31.513 66.38431 40.81430 
1 1 1    2    3   28 o  293.225   21.004  169.655   23.552  160.961   30.105  183.370   37.812  284.264   27.138  302.186   32.065 -17.92184 42.00741 
1 1 1    2    3   29 o  919.066   36.913  1725.42  132.390   0.0000   0.0000  1725.42  132.390  ?   ?   919.066   36.913      ?      ? 
1 1 1    2    3   30 o  260.991   24.916  138.798   24.872  142.309   39.424  136.476   32.057  262.557   38.478  259.425   31.664 3.131500 49.83141 
1 1 1    2    3   31 o  487.244   21.128  478.085   39.739  463.947   52.183  497.603   61.313  479.861   27.867  494.628   31.765 -14.76770 42.25575 
1 1 1    2    3   32 f  325.210   21.588  217.304   27.123  239.284   37.288  192.606   39.525  344.008   27.776  306.412   33.055 37.59622 43.17540 
1 1 1    2    3   33 o  193.059   26.160   79.967   18.958   88.948   27.882   72.243   25.855  203.585   36.433  182.532   37.550 21.05280 52.31974 
1 1 1    2    3   34 f  231.710   25.435  115.841   22.153   99.818   32.042  130.513   30.661  212.723   40.068  250.697   31.340 -37.97372 50.86933 
1 1 1    2    3   35 o  198.965   35.173   94.482   24.851   84.959   52.342   97.253   28.237  182.978   61.770  214.953   33.662 -31.97437 70.34673 
1 1 1    2    3   36 o  104.916   31.887   9.0998   22.544   24.308   23.746 -129.8650   71.780  111.927   41.251   97.906   48.637 14.02117 63.77475 
1 1 1    2    3   37 o  344.227   41.049  365.950   45.285  467.101   54.649  144.273   80.901  473.024   29.605  215.430   76.574 257.5945 82.09766 
1 1 1    2    4    0 o  157.660   38.569   44.695   28.930   48.479   41.010   40.946   40.818  161.674   54.676  153.646   54.415 8.027939 77.13887 
1 1 1    2    4    1 o  176.253   38.148   59.135   27.420   52.994   33.476   71.655   47.800  162.780   48.822  189.725   58.631 -26.94534 76.29663 
1 1 1    2    4    2 o  812.691   60.423  1346.04  191.584  1386.43  272.782  1306.72  269.135  825.013   84.727  800.369   86.169 24.64465 120.8459 
1 1 1    2    4    3 o  250.490   37.166  129.061   35.175  135.518   49.939  122.703   49.552  256.994   51.588  243.985   53.516 13.00862 74.33206 
1 1 1    2    4    4 o  478.866   58.520  480.511  100.117  493.096  123.340  456.204  171.415  496.174   63.700  461.557   98.186 34.61691 117.0393 
1 1 1    2    4    5 o  786.506   93.288  1359.94  279.665  1496.56  407.018  1237.74  384.918  831.824  125.386  741.189  138.161 90.63440 186.5752 
1 1 1    2    4    6 o  998.116  115.657  2329.74  450.470  2302.14  634.584  2357.76  639.567  991.751  163.966  1004.48  163.160 -12.72992 231.3137 
1 1 1    2    4    7 o  462.492   69.042  463.561  120.697  458.925  170.401  468.229  170.984  459.997   97.930  464.987   97.351 -4.989471 138.0849 
1 1 1    2    4    8 o  190.682   43.495   71.532   36.989   81.712   52.769   61.699   51.862  200.628   61.538  180.736   61.484 19.89175 86.98972 
1 1 1    2    4    9 o  348.523   60.456  264.361   81.706  287.658  116.985  242.173  114.167  364.016   84.052  333.029   86.920 30.98715 120.9127 
1 1 1    2    4   10 o  721.320   30.155  1027.18   84.883  1027.18   84.883   0.0000   0.0000  721.320   30.155  ?   ?       ?      ? 
1 1 1    2    4   11 o  663.962   28.829  871.646   74.698  871.646   74.698   0.0000   0.0000  663.962   28.829  ?   ?       ?      ? 
1 1 1    2    4   12 o  621.286   27.198  746.405   64.538  909.612  105.370  648.422   81.644  673.025   40.119  569.547   36.733 103.4779 54.39581 
1 1 1    2    4   13 o  215.601   22.164   96.829   16.862  103.747   20.883   83.866   28.585  229.474   23.320  201.728   37.697 27.74681 44.32721 
1 1 1    2    4   14 o  262.481   16.596  135.773   16.959  146.714   24.012  124.883   23.956  273.136   22.528  251.827   24.377 21.30853 33.19209 
1 1 1    2    4   15 o  196.064   20.141   79.567   14.169   86.748   17.921   67.590   23.143  210.188   21.848  181.939   33.842 28.24872 40.28188 
1 1 1    2    4   16 o  510.442   22.606  517.875   42.728  503.335   72.415  525.641   52.923  503.925   36.824  516.958   26.233 -13.03333 45.21262 
1 1 1    2    4   17 o  537.665   22.774  526.223   43.667  681.225   84.382  469.532   51.031  586.642   36.859  488.687   26.759 97.95520 45.54822 
1 1 1    2    4   18 o  788.301   22.238  1177.63   66.903  1462.02  109.522  1008.34   84.502  861.021   32.595  715.580   30.261 145.4406 44.47643 
1 1 1    2    4   19 o  895.403   23.892  1580.83   83.444  1633.31  120.226  1532.05  115.908  909.705   33.866  881.101   33.710 28.60480 47.78352 
1 1 1    2    4   20 o  574.102   19.612  646.885   43.843  709.410   63.498  589.918   60.610  600.663   27.089  547.542   28.366 53.12036 39.22329 
1 1 1    2    4   21 o  1077.41   27.149  2267.82  112.787  2090.33  146.534  2525.82  176.671  1027.30   36.552  1127.52   40.152 -100.2191 54.29758 
1 1 1    2    4   22 o  1104.96   39.446  2427.00  170.093   0.0000   0.0000  2427.00  170.093  ?   ?   1104.96   39.446      ?      ? 
1 1 1    2    4   23 o  1175.34   41.601  2754.66  190.810   0.0000   0.0000  2754.66  190.810  ?   ?   1175.34   41.601      ?      ? 
1 1 1    2    4   24 o  769.610   30.585  1138.28   78.410  1096.74   89.277  1278.42  163.980  744.909   30.712  794.311   52.902 -49.40198 61.17035 
1 1 1    2    4   25 o  526.768   20.391  532.795   41.068  475.104   52.110  627.358   66.716  490.589   27.219  562.947   30.369 -72.35770 40.78193 
1 1 1    2    4   26 o  333.441   20.094  216.294   25.845  195.113   33.577  247.086   40.484  313.956   27.406  352.926   29.395 -38.97018 40.18893 
1 1 1    2    4   27 o  364.835   20.110  265.488   28.242  269.586   37.197  259.910   43.397  368.771   25.847  360.899   30.814 7.871582 40.21910 
1 1 1    2    4   28 o  143.312   25.107   43.343   14.124   34.242   20.148   52.137   19.806  128.467   37.716  158.157   33.151 -29.69019 50.21424 
1 1 1    2    4   29 o  447.385   24.960  409.341   42.637  399.563   67.061  415.975   55.239  440.804   38.984  453.966   31.181 -13.16269 49.92018 
1 1 1    2    4   30 o  265.194   21.743  141.097   22.375  130.638   29.776  154.664   33.913  254.235   30.012  276.153   31.469 -21.91788 43.48613 
1 1 1    2    4   31 o  300.228   46.879  279.126   39.495  298.924   41.650  102.586  124.374  385.151   27.711  215.307   89.568 169.8440 93.75703 
1 1 1    2    4   32 o  385.684   21.456  300.438   32.075  280.951   42.483  326.270   48.914  371.837   29.278  399.530   31.373 -27.69275 42.91178 
1 1 1    2    4   33 o  314.993   22.489  204.238   27.569  195.284   37.366  214.935   40.842  307.823   31.106  322.163   32.486 -14.34009 44.97732 
1 1 1    2    4   34 o  296.646   40.412  299.294   41.791  358.195   46.780   66.495   93.001  417.161   28.736  176.130   75.544 241.0311 80.82448 
1 1 1    2    4   35 o  185.241   33.271   83.184   23.020   64.654   45.922   89.403   26.604  164.128   57.761  206.353   33.037 -42.22490 66.54141 
1 1 1    2    4   36 o  261.947   40.210  156.853   32.129  150.246   35.404  187.697   76.493  266.383   34.057  257.510   72.852 8.873260 80.41923 
1 1 1    2    5    0 o  202.300   45.296   80.957   40.123   76.056   56.561   85.922   56.927  197.545   64.133  207.055   63.984 -9.509903 90.59239 
1 1 1    2    5    1 o  553.004   48.079  614.013  103.640  574.541  144.284  656.087  148.965  534.376   69.190  571.633   66.778 -37.25690 96.15889 
1 1 1    2    5    2 o  581.291   49.016  680.171  111.144  706.486  158.235  654.545  156.149  592.618   68.422  569.965   70.204 22.65222 98.03111 
1 1 1    2    5    3 o  329.820   39.901  220.056   50.179  237.526   71.591  203.187   70.352  345.594   53.084  314.046   59.585 31.54788 79.80135 
1 1 1    2    5    4 o  396.917   54.213  329.845   77.590  338.245   95.416  313.447  133.309  411.209   59.460  382.625   90.668 28.58389 108.4264 
1 1 1    2    5    5 o  227.872   48.535  106.112   46.767  113.241   66.419   99.102   65.862  234.284   68.392  221.459   68.887 12.82509 97.07094 
1 1 1    2    5    6 o  945.458  114.682  2126.58  413.816  2293.40  600.101  1975.33  571.402  990.814  155.203  900.102  168.877 90.71216 229.3634 
1 1 1    2    5    7 o  408.065   64.991  361.558  101.040  340.856  141.594  383.037  144.227  395.418   93.272  420.712   90.531 -25.29401 129.9826 
1 1 1    2    5    8 o  392.902   91.114  338.395  136.988  338.395  136.988   0.0000   0.0000  392.902   91.114  ?   ?       ?      ? 
1 1 1    2    5    9 o  168.000   57.681   53.250   45.656   53.250   45.656   0.0000   0.0000  168.000   57.681  ?   ?       ?      ? 
1 1 1    2    5   10 o  317.674   43.493  251.025   37.958  270.087   41.517  153.939   93.696  369.745   28.774  265.603   82.089 104.1415 86.98565 
1 1 1    2    5   11 o  416.164   97.467  406.000  155.508   0.0000   0.0000  406.000  155.508  ?   ?   416.164   97.467      ?      ? 
1 1 1    2    5   12 o  344.503   88.205  273.721  119.093   0.0000   0.0000  273.721  119.093  ?   ?   344.503   88.205      ?      ? 
1 1 1    2    5   13 o  466.063   53.254  511.244   48.951  520.094   51.174  415.944  167.928  513.495   25.538  418.630  103.401 94.86539 106.5078 
1 1 1    2    5   14 o  335.666   44.312  247.755   31.205  250.252   32.605  220.532  107.665  356.737   23.421  314.595   85.474 42.14169 88.62468 
1 1 1    2    5   15 o  663.250   62.254  910.125   73.923  904.965   76.352  987.377  295.440  677.530   28.877  648.969  121.112 28.56036 124.5075 
1 1 1    2    5   16 o  683.121   28.505  927.160   75.864  926.295  110.460  927.933  104.374  682.462   41.476  683.781   39.115 -1.318481 57.01085 
1 1 1    2    5   17 f  1202.43   34.214  2865.99  152.587  2814.83  187.882  2965.12  261.522  1191.08   40.422  1213.78   55.212 -22.69812 68.42743 
1 1 1    2    5   18 o  714.628   21.049  1003.21   58.619  968.012   80.347  1043.26   85.713  701.341   29.357  727.915   30.174 -26.57385 42.09860 
1 1 1    2    5   19 o  839.815   22.996  1382.83   75.120  1493.90  111.881  1291.66  101.367  870.225   32.945  809.404   32.092 60.82111 45.99232 
1 1 1    2    5   20 f  852.705   23.271  1435.38   77.433  1451.16  109.436  1419.55  109.578  857.460   32.705  847.950   33.115 9.510803 46.54256 
1 1 1    2    5   21 o  665.768   20.973  872.710   54.342  861.073   73.952  886.370   80.122  661.170   28.662  670.365   30.627 -9.194275 41.94674 
1 1 1    2    5   22 o  723.336   26.389  1051.23   72.278  980.739  114.966  1097.31   92.943  701.412   42.002  745.260   31.958 -43.84735 52.77726 
1 1 1    2    5   23 o  639.305   21.067  805.244   52.354  791.453   70.722  821.966   77.873  633.543   28.605  645.068   30.935 -11.52490 42.13354 
1 1 1    2    5   24 o  621.638   32.259  849.882   67.218  947.993   80.242  619.062  123.077  692.705   29.684  550.572   57.284 142.1327 64.51810 
1 1 1    2    5   25 o  721.980   22.696  1008.59   62.647  914.090   79.576  1162.63  101.599  679.382   30.015  764.578   34.052 -85.19525 45.39160 
1 1 1    2    5   26 o  300.015   20.728  180.979   23.891  195.630   31.993  162.514   35.919  314.457   26.072  285.573   32.231 28.88376 41.45560 
1 1 1    2    5   27 o  329.034   21.266  221.406   26.508  246.373   34.948  187.582   40.677  352.474   25.407  305.594   34.110 46.88077 42.53228 
1 1 1    2    5   28 f  287.496   20.735  167.379   22.978  182.476   31.181  149.435   33.994  302.546   26.410  272.445   31.973 30.10181 41.47010 
1 1 1    2    5   29 o  120.507   24.348   30.323   16.913 -55.3728   35.194   56.058   19.286   76.911   37.341  164.104   31.257 -87.19299 48.69645 
1 1 1    2    5   30 o  370.273   21.034  276.121   30.018  270.973   39.340  283.297   46.444  367.102   27.461  373.444   31.870 -6.342407 42.06851 
1 1 1    2    5   31 o  407.668   21.597  340.724   33.889  363.126   45.409  312.558   50.916  424.493   27.412  390.843   33.383 33.65033 43.19493 
1 1 1    2    5   32 o  344.041   21.994  240.330   29.316  227.711   38.814  257.088   44.730  334.282   29.754  353.800   32.397 -19.51773 43.98734 
1 1 1    2    5   33 o  242.776   41.507  193.292   35.764  211.046   37.292 -10.1818  126.249  320.401   29.825  165.151   77.472 155.2499 83.01464 
1 1 1    2    5   34 f  375.121   49.442  414.888   64.691  512.848   80.228  232.807  109.379  484.013   42.475  266.229   89.296 217.7843 98.88316 
1 1 1    2    5   35 o  331.757   22.580  230.088   29.231  228.489   40.994  231.741   41.691  330.701   31.766  332.813   32.100 -2.112091 45.16063 
1 1 1    2    5   36 o  112.851   36.537   4.7425   25.777   10.421   27.149 -47.2013   82.109  100.063   41.755  125.639   59.968 -25.57558 73.07309 
1 1 1    2    6    0 o  578.615   65.911  712.135  135.694  732.110  167.274  673.692  232.051  601.615   71.249  555.615  110.908 45.99963 131.8219 
1 1 1    2    6    1 o  294.720   48.722  186.433   53.230  199.386   65.658  161.593   90.926  311.669   56.044  277.772   79.715 33.89783 97.44396 
1 1 1    2    6    2 o  803.327   77.798  1354.53  228.564  1321.49  277.922  1423.57  401.764  799.796   89.045  806.857  127.598 -7.060974 155.5963 
1 1 1    2    6    3 o  224.691   42.513  103.611   36.511  102.679   44.617  105.502   63.524  222.738   52.235  226.645   67.090 -3.906357 85.02670 
1 1 1    2    6    4 o  174.963   38.606   60.032   28.019   59.488   34.090   61.163   49.190  170.842   48.740  179.083   59.884 -8.240662 77.21162 
1 1 1    2    6    5 o  624.615   74.595  797.818  181.825  797.818  181.825   0.0000   0.0000  624.615   74.595  ?   ?       ?      ? 
1 1 1    2    6    6 o  149.751   52.971   39.577   38.670   39.577   38.670   0.0000   0.0000  149.751   52.971  ?   ?       ?      ? 
1 1 1    2    6    7 o  332.543   57.587  238.227   74.603  284.659  108.118  196.028  103.072  364.125   78.406  300.962   84.365 63.16254 115.1738 
1 1 1    2    6    8 o  558.008   79.682  718.713  167.536  716.179  236.753  721.254  237.112  556.906  112.805  559.109  112.569 -2.202454 159.3635 
1 1 1    2    6    9 o  430.707   68.989  425.277  113.303  402.837  158.789  448.554  161.721  417.989   98.892  443.426   96.221 -25.43637 137.9789 
1 1 1    2    6   10 o  420.992   98.004  414.987  157.996  414.987  157.996   0.0000   0.0000  420.992   98.004  ?   ?       ?      ? 
1 1 1    2    6   11 o  615.047   63.197  777.439   86.094  759.856   90.518  944.242  278.800  616.078   37.650  614.017  120.657 2.061584 126.3950 
1 1 1    2    6   12 o  292.427   56.260  191.135   66.384  161.577   92.771  222.154   95.033  269.371   81.383  315.483   77.703 -46.11230 112.5206 
1 1 1    2    6   13 o  407.583   50.190  363.879   54.764  368.645   59.526  337.619  139.728  430.630   35.422  384.535   93.922 46.09525 100.3798 
1 1 1    2    6   14 o  406.012   49.648  387.372   55.083  408.484   60.663  288.197  131.480  454.084   34.234  357.940   93.209 96.14398 99.29675 
1 1 1    2    6   15 o  710.395   62.233  972.585  107.023  945.304  112.958  1211.95  334.586  688.996   42.011  731.794  117.162 -42.79767 124.4664 
1 1 1    2    6   16 o  771.340   63.294  1151.96   88.192  1138.16   90.734  1387.91  375.196  759.962   30.595  782.718  122.835 -22.75629 126.5874 
1 1 1    2    6   17 o  728.922   25.332  1022.55   67.497  974.440   81.334  1128.99  120.977  703.578   29.623  754.267   41.100 -50.68854 50.66315 
1 1 1    2    6   18 o  1164.08   33.922  2603.12  141.241  2460.21  166.947  2962.98  264.924  1114.71   38.378  1213.45   55.946 -98.74268 67.84409 
1 1 1    2    6   19 o  1382.31   39.599  3818.21  201.145  3756.50  245.493  3944.26  350.859  1372.65   45.830  1391.96   64.591 -19.31763 79.19841 
1 1 1    2    6   20 o  452.852   22.422  380.462   34.405  358.006   39.289  454.332   71.258  427.026   23.577  478.678   38.147 -51.65250 44.84446 
1 1 1    2    6   21 o  298.719   31.586  180.912   32.225  181.192   38.175  180.216   60.109  302.862   32.300  294.576   54.289 8.286438 63.17122 
1 1 1    2    6   22 o  735.734   27.991  1053.71   72.121  1025.16   84.506  1130.28  138.381  720.784   30.043  750.684   47.238 -29.90045 55.98212 
1 1 1    2    6   23 o  1159.25   47.607  820.445   68.545  749.069   68.992  6274.77  603.104  616.230   28.689  1702.28   90.788 -1086.047 95.21345 
1 1 1    2    6   24 o  938.596   25.480  1719.81   91.911  1577.68  118.286  1936.37  146.014  891.546   33.998  985.646   37.961 -94.10071 50.96035 
1 1 1    2    6   25 o  288.178   41.889  280.188   38.621  318.167   40.820 -44.1077  119.282  401.384   26.060  174.973   79.621 226.4101 83.77766 
1 1 1    2    6   26 o  360.423   26.894  257.496   37.827  257.496   37.827   0.0000   0.0000  360.423   26.894  ?   ?       ?      ? 
1 1 1    2    6   27 o  983.614   27.103  1918.07  101.726  1761.70  128.908  2176.19  165.618  934.513   35.348  1032.71   41.096 -98.20233 54.20641 
1 1 1    2    6   28 o  571.960   27.424  673.307   59.849  652.176   94.061  687.681   77.579  561.330   42.940  582.591   34.123 -21.26068 54.84737 
1 1 1    2    6   29 f  193.605   32.097   89.296   23.034   54.657   43.558  102.743   27.139  161.792   56.294  225.418   30.851 -63.62660 64.19390 
1 1 1    2    6   30 o  449.795   22.062  410.381   38.198  409.482   50.102  411.629   59.029  450.646   28.490  448.944   33.693 1.701416 44.12352 
1 1 1    2    6   31 f  317.203   21.907  205.658   26.991  219.263   37.354  190.794   39.045  329.004   29.094  305.403   32.761 23.60095 43.81483 
1 1 1    2    6   32 o  534.403   22.843  588.585   47.023  593.009   61.988  582.587   72.170  539.110   29.464  529.695   34.914 9.414795 45.68514 
1 1 1    2    6   33 o  344.459   27.209  261.113   34.794  216.169   55.007  291.090   44.923  313.581   44.951  375.337   30.670 -61.75647 54.41726 
1 1 1    2    6   34 o  268.969   25.928  138.473   25.385  202.326   47.614  113.117   30.005  305.739   39.908  232.198   33.113 73.54118 51.85637 
1 1 1    2    6   35 o  271.803   22.912  156.009   24.056  143.197   35.551  166.830   32.673  259.823   35.062  283.784   29.503 -23.96170 45.82345 
1 1 1    2    6   36 o  237.694   43.081  170.941   36.311  182.155   38.704   88.553  104.907  293.001   33.849  182.388   79.235 110.6129 86.16225 
1 1 1    2    7    0 o  773.433   75.576  1255.29  213.719  1212.44  259.247  1346.18  377.572  764.602   86.885  782.263  123.685 -17.66101 151.1520 
1 1 1    2    7    1 o  624.765   52.162  796.433  127.173  803.024  180.450  789.930  179.257  627.356   73.707  622.174   73.830 5.181213 104.3246 
1 1 1    2    7    2 o  793.282   61.528  1307.33  190.412  1352.85  272.045  1263.61  266.605  807.174   86.366  779.390   87.656 27.78406 123.0552 
1 1 1    2    7    3 o  330.917   40.027  222.998   50.419  246.436   72.173  200.658   70.465  351.044   52.684  310.789   60.275 40.25500 80.05437 
1 1 1    2    7    4 o  733.134   57.229  1106.04  162.833  1279.64  240.566  959.260  221.212  787.224   78.308  679.045   83.479 108.1793 114.4590 
1 1 1    2    7    5 o  138.531   32.281   37.035   19.893   40.636   24.630   30.277   33.740  141.817   41.718  135.245   49.273 6.572113 64.56236 
1 1 1    2    7    6 o  330.588   50.386  231.120   61.224  234.684   75.268  224.152  105.252  340.627   56.624  320.549   83.358 20.07840 100.7713 
1 1 1    2    7    7 o  325.826   57.707  232.349   73.668  274.581  106.529  193.644  101.985  354.868   78.961  296.784   84.174 58.08371 115.4131 
1 1 1    2    7    8 o  243.080   50.701  127.031   51.577  142.258   73.623  112.356   72.278  255.964   71.143  230.196   72.256 25.76799 101.4013 
1 1 1    2    7    9 o  217.102   48.173   99.933   45.453  102.682   64.417   97.208   64.145  219.578   68.098  214.627   68.156 4.951385 96.34641 
1 1 1    2    7   10 o  172.430   59.105   58.166   47.931   58.166   47.931   0.0000   0.0000  172.430   59.105  ?   ?       ?      ? 
1 1 1    2    7   11 o  218.328   48.391  101.271   45.884  105.475   65.260   97.161   64.526  222.094   68.487  214.562   68.382 7.532242 96.78120 
1 1 1    2    7   12 o  338.262   46.000  249.917   44.315  254.273   48.597  228.421  107.963  357.649   34.820  318.874   85.155 38.77429 91.99915 
1 1 1    2    7   13 o  429.149   49.880  361.247   56.517  350.529   60.791  429.530  153.440  419.997   37.091  438.300   92.609 -18.30344 99.76076 
1 1 1    2    7   14 o  302.439   43.876  184.801   39.247  182.113   43.051  198.027   95.490  303.108   36.396  301.771   79.848 1.336823 87.75141 
1 1 1    2    7   15 o  415.219   48.480  367.171   40.361  368.752   42.074  348.924  142.902  433.260   24.885  397.178   93.711 36.08191 96.95926 
1 1 1    2    7   16 o  635.209   54.886  778.021   66.491  769.636   68.654  904.886  267.033  625.522   28.125  644.897  106.107 -19.37439 109.7710 
1 1 1    2    7   17 o  541.671   56.401  652.523   58.335  659.358   60.741  571.321  209.365  579.228   26.872  504.113  109.554 75.11469 112.8017 
1 1 1    2    7   18 o  633.039   63.328  940.372   76.090  957.666   79.420  747.026  265.555  697.568   29.175  568.511  123.251 129.0566 126.6566 
1 1 1    2    7   19 o  1012.91   96.524  2494.86  229.497  2540.19  246.471  2199.32  629.294  1121.99   56.292  903.819  184.658 218.1752 193.0470 
1 1 1    2    7   20 o  406.174   45.958  285.872   47.575  267.858   50.497  428.156  141.916  367.897   35.173  444.450   84.920 -76.55334 91.91562 
1 1 1    2    7   21 o  600.987   25.770  599.799   49.653  525.724   54.828  937.606  117.085  516.746   27.189  685.229   43.786 -168.4826 51.54055 
1 1 1    2    7   22 o  692.561   30.434  896.670   67.216  854.489   75.001  1068.79  151.507  658.177   29.201  726.945   53.407 -68.76776 60.86863 
1 1 1    2    7   23 f  550.968   32.659  577.412   52.288  561.784   56.986  660.631  131.501  533.806   27.356  568.131   59.313 -34.32471 65.31741 
1 1 1    2    7   24 o  397.568   38.222  346.130   39.878  355.196   43.474  298.035  100.134  424.329   26.254  370.806   71.794 53.52371 76.44359 
1 1 1    2    7   25 o  373.937   27.427  276.821   40.023  276.821   40.023   0.0000   0.0000  373.937   27.427  ?   ?       ?      ? 
1 1 1    2    7   26 o  602.644   32.262  629.121   55.425  581.781   59.620  930.422  150.411  540.920   28.244  664.368   58.015 -123.4481 64.52495 
1 1 1    2    7   27 o  406.854   46.367  372.635   60.434  379.386   69.872  352.588  120.408  430.171   41.623  383.536   82.868 46.63541 92.73424 
1 1 1    2    7   28 o  361.621   46.217  252.440   54.462  214.962   61.249  393.980  119.028  318.645   49.256  404.599   78.216 -85.95401 92.43349 
1 1 1    2    7   29 f  249.835   49.028  113.258   27.786  108.355   28.587  197.145  118.247  231.117   31.696  268.552   92.792 -37.43443 98.05559 
1 1 1    2    7   30 o  354.693   49.284  378.747   46.992  411.247   50.811  186.622  123.541  451.243   28.855  258.144   94.249 193.0987 98.56742 
1 1 1    2    7   31 o  301.607   50.643  174.903   33.819  165.762   35.030  300.312  129.749  284.882   31.509  318.331   96.261 -33.44910 101.2867 
1 1 1    2    7   32 o  279.065   43.361  267.069   42.825  298.387   45.483   22.458  127.114  381.180   30.577  176.951   81.153 204.2282 86.72209 
1 1 1    2    7   33 o  264.897   30.268  163.439   28.345  119.297   44.865  192.766   36.568  224.711   52.166  305.084   30.715 -80.37360 60.53657 
1 1 1    2    7   34 o  185.849   36.066   84.140   24.435   72.779   53.635   87.115   27.448  171.806   62.196  199.891   36.534 -28.08513 72.13262 
1 1 1    2    7   35 o  301.080   43.264  319.896   45.122  363.909   49.132   82.811  114.031  418.428   30.089  183.732   81.128 234.6957 86.52763 
1 1 1    2    7   36 o  390.186   31.846  320.743   48.491  320.743   48.491   0.0000   0.0000  390.186   31.846  ?   ?       ?      ? 
1 1 1    2    8    0 f  810.449   86.243  1485.40  247.580  1492.56  303.681  1471.22  427.531  838.609   92.795  782.288  145.397 56.32111 172.4859 
1 1 1    2    8    1 o  170.014   34.193   59.201   23.772   56.467   33.243   62.063   34.007  166.350   48.334  173.679   48.379 -7.328583 68.38672 
1 1 1    2    8    2 o  465.315   44.819  440.410   81.366  452.850  115.525  428.165  114.619  472.034   62.715  458.596   64.046 13.43817 89.63873 
1 1 1    2    8    3 o  473.803   44.669  457.033   82.431  497.099  118.586  419.574  114.662  494.413   61.462  453.192   64.834 41.22043 89.33723 
1 1 1    2    8    4 o  511.350   61.611  564.057  112.476  558.776  193.752  566.742  138.135  497.779  103.133  524.921   67.434 -27.14163 123.2220 
1 1 1    2    8    5 o  467.156   71.658  496.541  126.875  505.854  180.036  487.353  178.828  471.959  100.814  462.352  101.863 9.606293 143.3157 
1 1 1    2    8    6 o  436.368   68.207  433.333  113.238  499.319  164.545  373.965  156.075  470.855   92.849  401.881   99.938 68.97464 136.4138 
1 1 1    2    8    7 o  836.708  128.707  2110.70  408.030  2431.30  605.759  1844.43  552.056  904.940  177.875  768.476  186.071 136.4637 257.4143 
1 1 1    2    8    8 o  559.313   83.454  774.933  176.426  856.773  255.784  700.663  243.666  591.490  114.955  527.137  121.010 64.35315 166.9077 
1 1 1    2    8    9 o  211.812   67.262   94.910   62.472   0.0000   0.0000   94.910   62.472  ?   ?   211.812   67.262      ?      ? 
1 1 1    2    8   11 o  147.813   52.876   38.894   38.634   0.0000   0.0000   38.894   38.634  ?   ?   147.813   52.876      ?      ? 
1 1 1    2    8   12 o  228.978   48.746  109.961   47.569   90.000   66.702  130.620   67.857  210.906   69.703  247.050   68.163 -36.14406 97.49226 
1 1 1    2    8   13 o  452.710   99.046  460.534  170.115   0.0000   0.0000  460.534  170.115  ?   ?   452.710   99.046      ?      ? 
1 1 1    2    8   14 o  707.315   68.239  1029.78  106.300  1016.75  111.809  1152.33  342.866  715.509   40.043  699.120  130.471 16.38916 136.4781 
1 1 1    2    8   15 o  874.417   74.614  1479.08  138.600  1443.86  144.260  1901.63  499.735  851.942   43.391  896.891  142.780 -44.94891 149.2280 
1 1 1    2    8   16 o  532.120   26.495  556.360   55.019  556.360   55.019   0.0000   0.0000  532.120   26.495  ?   ?       ?      ? 
1 1 1    2    8   17 o  850.908   65.398  1293.81   96.901  1266.88   99.276  1836.71  445.699  801.731   31.731  900.085  126.890 -98.35443 130.7970 
1 1 1    2    8   18 o  685.963   67.475  1124.74  118.218  1179.30  129.359  848.309  291.180  769.966   43.052  601.960  127.899 168.0054 134.9509 
1 1 1    2    8   19 o  294.488   40.652  243.316   30.150  265.525   32.297   92.739   84.098  367.848   22.499  221.128   78.128 146.7201 81.30332 
1 1 1    2    8   20 f  755.438   63.790  1124.46   87.597  1111.81   90.199  1334.16  367.319  750.621   30.793  760.255  123.809 -9.634155 127.5808 
1 1 1    2    8   21 o  359.260   25.887  253.954   36.292  253.954   36.292   0.0000   0.0000  359.260   25.887  ?   ?       ?      ? 
1 1 1    2    8   22 o  457.828   26.352  412.764   47.081  412.764   47.081   0.0000   0.0000  457.828   26.352  ?   ?       ?      ? 
1 1 1    2    8   23 o  845.060   69.293  1311.93   98.862  1282.19  101.166  1942.57  465.851  804.467   32.225  885.654  134.788 -81.18640 138.5868 
1 1 1    2    8   24 o  489.279   57.345  510.415   52.304  508.073   54.157  542.902  201.694  506.965   27.374  471.593  111.374 35.37183 114.6892 
1 1 1    2    8   25 o  473.653   36.653  419.147   45.804  404.207   48.874  526.979  131.302  451.447   27.742  495.860   67.855 -44.41229 73.30695 
1 1 1    2    8   26 o  642.310   35.355  785.924   64.489  754.259   69.809  970.238  168.424  614.961   29.089  669.660   64.449 -54.69922 70.70979 
1 1 1    2    8   27 o  206.954   53.445   81.243   47.061   71.735   52.343  121.343  107.499  182.952   61.770  230.956   87.234 -48.00455 106.8891 
1 1 1    2    8   28 o  399.175   42.938  298.300   40.259  282.890   42.386  440.375  128.700  374.966   28.967  423.384   80.844 -48.41806 85.87674 
1 1 1    2    8   29 o  590.955   36.212  731.964   63.361  720.380   69.851  785.746  150.515  596.822   29.992  585.088   65.921 11.73401 72.42320 
1 1 1    2    8   30 f  178.350   39.255   74.378   24.577   79.052   25.832   29.757   79.821  193.415   35.534  163.284   70.009 30.13097 78.51072 
1 1 1    2    8   31 o  272.177   41.011  218.435   36.685  248.528   40.724   88.902   84.490  349.177   29.886  195.177   76.384 154.0006 82.02296 
1 1 1    2    8   32 o  299.308   42.423  272.571   48.768  354.832   58.512   85.416   88.257  410.353   36.539  188.262   76.576 222.0909 84.84667 
1 1 1    2    8   33 o  245.449   39.874  178.069   34.017  198.798   37.516   82.260   80.656  309.305   31.082  181.594   73.441 127.7102 79.74741 
1 1 1    2    8   34 o  131.061   39.851   19.665   23.677   17.532   24.869   40.331   77.405  105.094   41.347  157.027   68.139 -51.93346 79.70236 
1 1 1    2    8   35 o  369.415   45.786  527.121   59.092  625.566   65.581  102.231  136.244  547.493   30.695  191.336   86.274 356.1577 91.57147 
1 1 1    2    9    0 o  633.451   54.352  844.339  134.212  899.400  192.781  792.553  186.961  654.292   75.502  612.611   78.205 41.68152 108.7041 
1 1 1    2    9    1 o  277.398   48.209  164.621   49.902  165.512   85.798  164.166   61.346  275.807   76.851  278.989   58.228 -3.181519 96.41846 
1 1 1    2    9    2 o  761.541   83.265  1333.58  224.246  1425.71  395.620  1289.97  272.197  753.325  139.719  769.756   90.615 -16.43073 166.5307 
1 1 1    2    9    3 o  317.692   48.902  204.982   55.895  260.104   99.622  179.657   67.525  344.858   76.068  290.527   61.477 54.33081 97.80492 
1 1 1    2    9    4 o  215.931   42.881   94.992   36.008  114.040   62.526   85.541   44.045  230.607   66.081  201.254   54.665 29.35367 85.76149 
1 1 1    2    9    5 o  704.853   95.639  1254.74  256.335  1555.74  388.345  1022.34  341.233  793.737  125.374  615.969  144.459 177.7678 191.2779 
1 1 1    2    9    6 o  450.452   71.447  479.150  122.624  536.985  177.786  426.671  169.354  479.163   98.373  421.741  103.640 57.42108 142.8934 
1 1 1    2    9    7 o  191.048   41.403   75.682   32.746   74.934   40.447   77.105   55.788  188.348   52.867  193.747   63.732 -5.399063 82.80527 
1 1 1    2    9    8 o  206.920   46.832   89.768   42.784   94.003   60.650   85.573   60.362  210.801   66.192  203.039   66.269 7.761429 93.66467 
1 1 1    2    9    9 o  227.137   49.462  110.202   48.156  109.883   68.120  110.521   68.086  226.860   69.974  227.415   69.925 -0.5541840 98.92358 
1 1 1    2    9   10 o  256.855   51.583  142.164   54.572  168.208   78.380  117.659   76.028  278.095   71.748  235.615   74.131 42.47986 103.1657 
1 1 1    2    9   11 o  678.834   94.113  1127.13  240.395  1144.87  341.487  1109.71  338.472  684.797  132.576  672.870  133.614 11.92651 188.2264 
1 1 1    2    9   12 o  262.398   52.661  147.080   56.719  127.559   79.548  167.266   80.894  245.973   75.574  278.823   73.356 -32.85074 105.3213 
1 1 1    2    9   13 o  103.434   40.197   13.501   23.272   0.0000   0.0000   13.501   23.272  ?   ?   103.434   40.197      ?      ? 
1 1 1    2    9   14 o  689.773   67.485  1055.89  108.537  1066.91  115.698  975.041  313.375  733.245   40.434  646.302  128.772 86.94312 134.9709 
1 1 1    2    9   15 o  451.966   49.471  419.487   58.369  417.732   63.001  430.125  155.098  459.865   35.106  444.066   92.504 15.79880 98.94173 
1 1 1    2    9   16 o  478.040  101.041  505.694  182.594   0.0000   0.0000  505.694  182.594  ?   ?   478.040  101.041      ?      ? 
1 1 1    2    9   17 o  298.210   45.128  177.834   42.911  173.525   48.010  194.954   95.686  295.571   41.623  300.849   80.085 -5.278534 90.25568 
1 1 1    2    9   18 o  520.601   54.079  566.216   54.827  565.706   57.024  572.459  199.481  536.252   27.249  504.950  104.670 31.30176 108.1590 
1 1 1    2    9   19 o  347.608   45.123  241.655   34.099  239.608   35.667  263.424  116.288  349.027   26.186  346.190   86.362 2.836456 90.24500 
1 1 1    2    9   20 o  496.367   27.102  485.099   52.497  485.099   52.497   0.0000   0.0000  496.367   27.102  ?   ?       ?      ? 
1 1 1    2    9   21 o  314.074   45.560  285.025   36.249  308.974   38.452   93.821  108.651  396.349   24.861  231.799   87.664 164.5499 91.12090 
1 1 1    2    9   22 o  341.879   49.266  286.717   37.519  295.937   39.349  194.460  124.470  387.599   26.015  296.159   95.037 91.43933 98.53291 
1 1 1    2    9   23 o  514.643   58.547  584.548   57.304  585.689   59.533  570.160  211.389  544.420   28.022  484.865  113.692 59.55466 117.0941 
1 1 1    2    9   24 o  405.617   57.021  473.121   50.453  496.624   52.847  231.213  169.542  500.929   27.034  310.304  110.792 190.6247 114.0429 
1 1 1    2    9   25 o  161.267   43.087   39.374   17.976   39.919   18.258   22.169  102.637  138.454   34.033  184.080   79.168 -45.62589 86.17341 
1 1 1    2    9   26 o  173.918   51.406   31.395   43.220   25.028   46.692   69.493  114.215  139.519   56.069  208.317   86.177 -68.79837 102.8117 
1 1 1    2    9   27 o  240.257   52.614  106.384   25.946  104.780   26.338  159.027  150.872  228.300   29.563  252.215  100.990 -23.91505 105.2278 
1 1 1    2    9   28 o  237.221   49.644  138.856   29.839  142.133   30.320   38.016  168.200  265.488   29.266  208.954   94.877 56.53342 99.28840 
1 1 1    2    9   29 o  251.334   47.191  190.972   36.457  201.823   37.191 -75.6397  184.350  315.668   30.191  187.000   89.422 128.6680 94.38114 
1 1 1    2    9   30 o  461.484   71.850  529.376   58.124  518.707   59.511  750.247  270.766  505.098   30.192  417.871  140.493 87.22687 143.7007 
1 1 1    2    9   31 o  247.679   45.201  164.131   38.457  173.222   41.702  112.438   99.438  287.414   37.181  207.945   82.401 79.46852 90.40130 
1 1 1    2    9   32 o  203.911   35.562  130.597   31.951  156.230   34.129 -51.2240   90.896  274.244   31.890  133.577   63.574 140.6669 71.12361 
1 1 1    2    9   33 o  318.525   43.769  229.932   38.653  219.923   41.927  286.614   99.778  323.677   33.193  313.373   81.001 10.30438 87.53803 
1 1 1    2    9   34 o  249.081   43.346  208.293   38.621  223.646   40.129   15.358  142.253  327.280   31.420  170.881   80.799 156.3984 86.69288 
1 1 1    2    9   35 o  228.921   43.102  172.640   39.019  186.186   40.301 -30.2232  155.963  295.423   34.957  162.419   78.798 133.0039 86.20417 
1 1 1    2   10    0 o  524.195   49.383  581.639  100.995  597.771  143.475  565.794  142.191  531.811   69.133  516.579   70.535 15.23181 98.76513 
1 1 1    2   10    1 o  247.094   39.476  129.893   37.203  117.419   51.786  143.196   53.480  234.289   57.150  259.900   54.472 -25.61119 78.95164 
1 1 1    2   10    2 o  325.097   41.464  221.632   51.463  205.598   71.864  238.510   73.731  309.747   61.621  340.447   55.497 -30.69998 82.92833 
1 1 1    2   10    3 o  168.757   35.054   59.263   24.630   62.229   34.399   56.143   35.282  172.467   48.876  165.048   50.261 7.419327 70.10760 
1 1 1    2   10    4 o  274.564   40.397  160.965   41.877  171.561   59.179  150.337   59.268  284.466   55.302  264.661   58.902 19.80502 80.79415 
1 1 1    2   10    5 o   88.175   24.729   8.8387   12.525   12.503   15.531   2.0214   21.184   89.688   33.301   86.662   36.567 3.026390 49.45857 
1 1 1    2   10    6 o  176.428   37.902   64.077   27.491   64.239   33.819   63.763   47.203  175.025   48.051  177.831   58.630 -2.805344 75.80458 
1 1 1    2   10    7 o  205.980   42.658   89.863   35.557   92.217   43.997   85.429   60.374  208.534   53.731  203.426   66.270 5.108490 85.31582 
1 1 1    2   10    8 o  298.881   50.281  196.855   55.953  204.638   69.147  182.092   95.230  311.153   59.108  286.610   81.357 24.54276 100.5619 
1 1 1    2   10    9 o   97.837   27.139   11.448   15.117   11.932   21.295   10.955   21.462   98.297   38.381   97.378   38.379 0.9192200 54.27755 
1 1 1    2   10   10 o  625.834   82.749  899.941  197.327  1042.04  290.347  777.970  268.998  681.013  109.252  570.655  124.311 110.3585 165.4972 
1 1 1    2   10   11 o  283.383   54.795  172.992   62.499  191.139   89.359  155.615   87.446  297.413   76.544  269.353   78.429 28.06036 109.5905 
1 1 1    2   10   12 o  214.901   47.531   94.492   44.298   99.623   63.110   89.508   62.194  219.614   67.287  210.187   67.151 9.426743 95.06200 
1 1 1    2   10   13 o  440.635   66.929  424.713  111.822  356.571  153.779  501.172  162.894  400.379   98.983  480.892   90.113 -80.51300 133.8578 
1 1 1    2   10   14 o  486.228   72.051  523.378  132.331  546.008  189.301  501.751  185.061  497.229  101.005  475.226  102.779 22.00247 144.1024 
1 1 1    2   10   15 o  402.015   48.088  320.420   53.026  313.799   57.536  357.763  136.637  398.305   37.016  405.726   88.767 -7.421234 96.17556 
1 1 1    2   10   16 o  760.264   69.066  1244.73  124.661  1245.27  132.895  1240.73  359.767  791.346   43.034  729.182  131.258 62.16345 138.1324 
1 1 1    2   10   17 f  986.529   90.419  2171.58  193.714  2158.66  204.262  2287.07  610.703  1037.44   50.454  935.615  173.657 101.8264 180.8377 
1 1 1    2   10   18 o  620.743   40.000  765.821   96.894  765.821   96.894   0.0000   0.0000  620.743   40.000  ?   ?       ?      ? 
1 1 1    2   10   19 o  401.833   26.748  317.815   41.944  317.815   41.944   0.0000   0.0000  401.833   26.748  ?   ?       ?      ? 
1 1 1    2   10   20 o  966.645   88.546  2024.64  140.225  2007.20  144.163  2330.87  604.091  1005.62   36.736  927.669  173.240 77.95129 177.0926 
1 1 1    2   10   21 o  668.129   30.107  881.833   78.499  881.833   78.499   0.0000   0.0000  668.129   30.107  ?   ?       ?      ? 
1 1 1    2   10   22 f  656.404   30.018  852.387   76.893  852.387   76.893   0.0000   0.0000  656.404   30.018  ?   ?       ?      ? 
1 1 1    2   10   23 o  716.321   31.060  1018.85   86.823  1018.85   86.823   0.0000   0.0000  716.321   31.060  ?   ?       ?      ? 
1 1 1    2   10   24 o  687.472   30.759  941.505   82.520  941.505   82.520   0.0000   0.0000  687.472   30.759  ?   ?       ?      ? 
1 1 1    2   10   25 o  529.272   69.186  762.782  100.987  805.581  111.405  565.503  239.179  625.272   45.656  433.272  130.623 191.9995 138.3721 
1 1 1    2   10   26 o  282.393   53.398  186.843   35.083  187.951   36.037  166.732  153.476  305.889   30.189  258.898  102.441 46.99136 106.7969 
1 1 1    2   10   27 o  223.275   54.676   71.108   23.721   67.981   24.009  199.389  153.768  179.691   35.497  266.860  103.431 -87.16962 109.3525 
1 1 1    2   10   28 o  309.025   60.035  171.704   31.834  165.819   32.306  368.746  186.941  286.707   28.875  331.344  116.547 -44.63672 120.0708 
1 1 1    2   10   29 o  303.009  123.654  360.726  231.085   0.0000   0.0000  360.726  231.085  ?   ?   303.009  123.654      ?      ? 
1 1 1    2   10   30 o  310.914   61.418  255.075   48.445  252.827   49.612  301.184  224.693  348.664   36.463  273.164  117.299 75.50009 122.8357 
1 1 1    2   10   31 o  353.630   61.199  378.076   49.190  377.841   50.393  382.816  226.465  428.718   30.121  278.542  118.633 150.1760 122.3972 
1 1 1    2   10   32 o  190.572   49.451   71.656   27.380   69.329   27.948  127.177  136.518  175.679   41.438  205.466   89.803 -29.78717 98.90276 
1 1 1    2   10   33 o  267.534   33.234  150.399   34.697  150.399   34.697   0.0000   0.0000  267.534   33.234  ?   ?       ?      ? 
1 1 1    2   10   34 o  250.480   35.689  133.793   34.885  133.793   34.885   0.0000   0.0000  250.480   35.689  ?   ?       ?      ? 
1 1 1    2   10   35 o  179.365   48.586   74.441   31.910   74.333   32.620   76.847  153.760  177.136   46.573  181.594   85.285 -4.457748 97.17264 
1 1 1    2   11    0 o  138.128   31.545   37.595   19.338   35.177   26.378   40.403   28.432  134.009   43.811  142.248   45.398 -8.238815 63.09048 
1 1 1    2   11    1 o  185.559   36.698   72.543   27.599   72.576   38.293   72.507   39.813  185.557   51.209  185.560   52.580 -0.2655029E-02 73.39642 
1 1 1    2   11    2 o  486.824   46.498  497.978   88.329  505.416  125.199  490.606  124.637  490.638   65.389  483.011   66.124 7.626953 92.99522 
1 1 1    2   11    3 o  431.678   44.905  389.124   75.643  385.338  106.473  392.983  107.486  429.553   63.517  433.803   63.493 -4.250580 89.80984 
1 1 1    2   11    4 o  330.566   41.606  228.685   52.522  239.398   74.258  217.961   74.297  341.527   55.717  319.606   61.805 21.92145 83.21181 
1 1 1    2   11    5 o  482.874   62.945  539.083  108.481  588.692  135.287  449.740  181.555  531.561   65.219  434.186  107.679 97.37485 125.8896 
1 1 1    2   11    6 o  888.061  103.483  2043.63  323.718  2122.44  402.160  1898.57  545.582  964.772  106.817  811.351  177.270 153.4213 206.9652 
1 1 1    2   11    7 o  178.081   39.024   64.666   29.171   67.043   36.062   60.167   49.614  179.548   49.751  176.614   60.136 2.933685 78.04794 
1 1 1    2   11    8 o  210.068   41.892   94.380   35.481  103.733   44.287   77.617   59.290  222.506   51.947  197.629   65.735 24.87686 83.78355 
1 1 1    2   11    9 o  189.022   52.402   74.221   39.998   74.221   39.998   0.0000   0.0000  189.022   52.402  ?   ?       ?      ? 
1 1 1    2   11   10 o  161.923   39.845   48.209   30.861   48.773   43.704   47.648   43.585  162.532   56.398  161.314   56.301 1.218231 79.69038 
1 1 1    2   11   11 o  901.649  116.239  2047.56  400.342  2204.04  580.169  1905.31  553.136  945.436  157.250  857.861  171.226 87.57483 232.4779 
1 1 1    2   11   12 o  342.205   60.313  254.157   80.307  269.620  114.713  239.294  112.464  352.639   84.470  331.770   86.114 20.86948 120.6267 
1 1 1    2   11   13 o  238.762   50.645  118.653   50.934  124.348   73.036  113.261   71.067  243.698   71.883  233.827   71.361 9.870483 101.2895 
1 1 1    2   11   14 o  1070.51  153.749  3307.15  620.296  3408.66  886.964  3209.98  867.811  1088.96  216.344  1052.06  218.518 36.90161 307.4977 
1 1 1    2   11   15 o  186.821   64.789   65.265   57.672   65.265   57.672   0.0000   0.0000  186.821   64.789  ?   ?       ?      ? 
1 1 1    2   11   16 o  312.485   42.279  194.266   51.556  194.266   51.556   0.0000   0.0000  312.485   42.279  ?   ?       ?      ? 
1 1 1    2   11   17 o  587.142   39.026  684.527   89.419  684.527   89.419   0.0000   0.0000  587.142   39.026  ?   ?       ?      ? 
1 1 1    2   11   18 o  238.141   55.947  108.063   57.444  144.822  102.546   91.253   69.345  262.780   86.405  213.503   71.095 49.27650 111.8942 
1 1 1    2   11   19 o  993.625   98.865  2312.08  207.699  2299.63  218.745  2426.03  661.989  1067.10   52.529  920.147  190.626 146.9562 197.7310 
1 1 1    2   11   20 o  422.923   49.537  362.956   44.979  359.811   47.100  395.528  151.592  427.130   28.257  418.716   94.959 8.414276 99.07396 
1 1 1    2   11   21 o  499.880   53.631  488.517   53.853  480.003   55.979  594.253  197.274  492.876   29.104  506.885  103.238 -14.00894 107.2615 
1 1 1    2   11   22 o  622.097   65.631  865.548   76.216  865.246   79.149  869.401  282.589  660.503   30.707  583.691  127.620 76.81274 131.2624 
1 1 1    2   11   23 o  598.632   70.692  917.827  117.080  964.938  130.263  719.787  267.075  686.418   48.630  510.845  132.757 175.5730 141.3830 
1 1 1    2   11   24 o  179.702   48.703   54.370   50.538   86.011   61.759  -9.7610   87.926  200.654   67.100  158.749   70.609 41.90515 97.40686 
1 1 1    2   11   25 o  214.639   42.285  121.823   27.603  129.979   28.354 -26.0266  120.722  254.961   28.498  174.318   79.623 80.64336 84.56967 
1 1 1    2   11   26 o  288.029   54.780  177.955   32.399  175.968   33.103  223.185  157.931  296.001   28.657  280.057  105.745 15.94479 109.5593 
1 1 1    2   11   27 o  201.505   44.939   99.393   28.809  105.706   29.286 -89.5853  160.230  227.912   32.928  175.098   83.630 52.81372 89.87835 
1 1 1    2   11   28 o  275.088   57.925  176.633   38.654  175.851   39.394  196.854  200.314  292.978   34.456  257.199  110.607 35.77847 115.8496 
1 1 1    2   11   29 o  209.457   48.452  103.368   27.699  106.707   27.961 -72.5076  202.926  228.687   31.332  190.226   91.699 38.46068 96.90376 
1 1 1    2   11   30 o  420.184   68.252  584.664   61.813  585.849   63.192  558.395  297.515  534.744   30.282  305.625  133.103 229.1185 136.5038 
1 1 1    2   11   31 o  385.413   62.994  525.243   59.168  527.816   60.426  465.384  291.446  505.228   30.648  265.599  122.203 239.6289 125.9879 
1 1 1    2   11   32 o  229.673   34.963  111.580   31.336  111.580   31.336   0.0000   0.0000  229.673   34.963  ?   ?       ?      ? 
1 1 1    2   11   33 o  253.597   34.607  136.131   34.248  136.131   34.248   0.0000   0.0000  253.597   34.607  ?   ?       ?      ? 
1 1 1    2   11   34 o  213.305   45.199  131.034   33.955  136.033   34.759   26.663  158.821  252.389   35.291  174.221   83.224 78.16800 90.39770 
1 1 1    2   12    0 o  212.010   38.515   94.800   32.014   91.989   44.281   97.879   46.338  208.823   53.954  215.197   54.977 -6.374176 77.02942 
1 1 1    2   12    1 o  175.356   35.911   63.641   25.951   62.574   35.605   64.851   37.904  173.751   49.889  176.960   51.667 -3.208694 71.82159 
1 1 1    2   12    2 o  590.946   52.157  734.819  120.276  727.964  169.401  741.788  170.800  588.139   73.808  593.752   73.714 -5.612976 104.3139 
1 1 1    2   12    3 o  461.466   45.562  439.229   81.972  413.781  114.248  466.230  117.681  447.300   65.451  475.633   63.402 -28.33255 91.12427 
1 1 1    2   12    4 o  703.823   57.796  1053.77  158.742  1056.22  224.382  1051.31  224.608  704.749   81.587  702.896   81.885 1.852478 115.5923 
1 1 1    2   12    5 o  658.975   74.790  976.461  174.674  976.231  213.834  976.922  302.819  679.177   80.679  638.772  125.956 40.40546 149.5800 
1 1 1    2   12    6 o  421.154   60.110  361.555   98.791  361.555   98.791   0.0000   0.0000  421.154   60.110  ?   ?       ?      ? 
1 1 1    2   12    7 o  778.981   86.329  1417.04  237.683  1463.59  293.913  1329.04  404.057  826.444   91.132  731.519  146.648 94.92499 172.6579 
1 1 1    2   12    8 o  122.399   31.938   23.262   19.627   20.628   24.790   27.686   32.129  114.158   42.135  130.640   48.008 -16.48189 63.87632 
1 1 1    2   12    9 o  488.646   66.462  488.013  126.737  488.013  126.737   0.0000   0.0000  488.646   66.462  ?   ?       ?      ? 
1 1 1    2   12   10 o  459.984   58.293  441.797   96.609  428.644  118.344  468.072  167.266  458.481   66.144  461.488   96.005 -3.006439 116.5851 
1 1 1    2   12   11 o  126.860   32.962   24.409   21.761   36.125   31.613   13.859   29.999  140.080   48.001  113.640   45.188 26.43934 65.92444 
1 1 1    2   12   13 o  345.685   86.721  260.011  116.788  260.011  116.788   0.0000   0.0000  345.685   86.721  ?   ?       ?      ? 
1 1 1    2   12   14 o  215.314   69.467   93.553   66.435   93.553   66.435   0.0000   0.0000  215.314   69.467  ?   ?       ?      ? 
1 1 1    2   12   15 o  268.574   55.209  154.108   61.313  150.601   88.679  157.320   84.866  265.988   79.390  271.159   76.744 -5.170715 110.4190 
1 1 1    2   12   16 o  395.657   66.727  348.907  101.876  309.891  143.609  388.433  144.545  371.534   97.736  419.780   90.871 -48.24557 133.4537 
1 1 1    2   12   17 o  666.732   66.738  1143.95  123.049  1281.95  140.139  679.373  257.119  800.797   44.844  532.668  125.716 268.1293 133.4750 
1 1 1    2   12   18 o  882.934   84.497  1717.98  168.140  1698.98  177.910  1876.79  514.460  918.901   49.614  846.968  161.547 71.93317 168.9937 
1 1 1    2   12   19 o  464.756   54.457  519.321   79.053  582.489   92.498  348.168  152.256  539.432   43.940  390.080   99.657 149.3519 108.9136 
1 1 1    2   12   20 o  520.701   61.148  619.067   91.785  636.149  102.275  548.376  208.057  562.042   46.630  479.360  113.056 82.68198 122.2952 
1 1 1    2   12   21 o  421.899   53.362  394.786   48.863  397.026   51.320  373.056  159.840  447.814   29.367  395.983  102.603 51.83105 106.7233 
1 1 1    2   12   22 o  534.362   65.221  609.607  102.408  580.843  112.996  741.870  242.304  529.771   54.657  538.953  118.439 -9.182068 130.4418 
1 1 1    2   12   23 f  201.407   40.889   94.231   24.549   99.258   25.438   26.046   93.686  223.245   29.199  179.568   76.387 43.67751 81.77744 
1 1 1    2   12   24 o  127.497   40.185   12.552   12.479   12.608   12.590   9.4058   94.324   84.934   30.205  170.061   74.479 -85.12704 80.37092 
1 1 1    2   12   26 o  433.139   64.919  484.901   54.838  484.194   56.638  495.492  219.214  489.917   29.625  376.360  126.414 113.5567 129.8389 
1 1 1    2   12   27 o  309.251   59.973  213.451   41.999  208.828   43.085  301.751  188.302  319.384   34.568  299.118  114.856 20.26511 119.9455 
1 1 1    2   12   28 o  219.525   57.423   77.419   25.358   75.623   25.565  187.331  199.984  188.795   36.013  250.256  109.054 -61.46095 114.8463 
1 1 1    2   12   29 o  236.014   56.023  116.552   29.696  115.680   29.972  163.161  219.199  237.226   32.376  234.803  107.267 2.423553 112.0466 
1 1 1    2   12   30 f  150.120   50.339   22.713   18.519   22.885   18.585  -1.3959  219.889  106.989   36.797  193.251   93.712 -86.26188 100.6775 
1 1 1    2   12   31 o  380.034   54.027  337.095   80.125  337.095   80.125   0.0000   0.0000  380.034   54.027  ?   ?       ?      ? 
1 1 1    2   12   33 o  155.242   48.119   36.446   23.929   36.173   24.177   49.552  167.339  128.185   41.946  182.300   86.616 -54.11563 96.23812 
1 1 1    2   12   34 o  244.005   51.635  165.591   38.116  163.673   39.048  204.324  175.501  275.445   36.327  212.564   96.670 62.88026 103.2700 
1 1 1    2   13    0 o  295.607   49.718  185.296   53.939  182.527   65.658  191.044   94.600  294.898   59.112  296.317   79.959 -1.418610 99.43651 
1 1 1    2   13    1 o  380.132   54.827  312.551   75.454  322.904   92.515  291.981  130.401  398.316   59.519  361.948   92.096 36.36850 109.6549 
1 1 1    2   13    2 f  252.085   47.236  138.287   45.858  148.422   55.771  117.133   80.576  266.360   55.457  237.810   76.481 28.55025 94.47118 
1 1 1    2   13    3 o  574.587   64.802  692.781  132.275  652.744  159.409  781.290  237.014  561.055   72.807  588.119  107.221 -27.06360 129.6045 
1 1 1    2   13    4 o  482.823   60.194  493.011  103.272  481.119  125.186  518.344  182.717  484.430   66.221  481.217  100.539 3.212860 120.3882 
1 1 1    2   13    5 o  443.852   62.935  401.509  109.010  401.509  109.010   0.0000   0.0000  443.852   62.935  ?   ?       ?      ? 
1 1 1    2   13    6 o  251.466   56.369  132.372   53.948  132.372   53.948   0.0000   0.0000  251.466   56.369  ?   ?       ?      ? 
1 1 1    2   13    7 o  279.701   58.843  163.685   62.193  163.685   62.193   0.0000   0.0000  279.701   58.843  ?   ?       ?      ? 
1 1 1    2   13    8 f  823.120   91.226  1434.60  293.031  1434.60  293.031   0.0000   0.0000  823.120   91.226  ?   ?       ?      ? 
1 1 1    2   13    9 o  873.915   95.705  1627.64  326.389  1627.64  326.389   0.0000   0.0000  873.915   95.705  ?   ?       ?      ? 
1 1 1    2   13   10 o  754.391   86.154  1192.76  253.632  1192.76  253.632   0.0000   0.0000  754.391   86.154  ?   ?       ?      ? 
1 1 1    2   13   11 f  514.121   70.871  572.778  139.245  665.937  203.914  491.383  190.605  560.220   93.273  468.022  106.727 92.19769 141.7410 
1 1 1    2   13   13 o  542.432   77.363  663.564  158.094  686.357  225.751  641.629  221.467  552.314  108.610  532.551  110.198 19.76318 154.7253 
1 1 1    2   13   14 o  195.601   46.529   74.518   42.207   63.950   61.169   84.121   58.313  187.339   66.584  203.863   65.010 -16.52429 93.05789 
1 1 1    2   13   15 o  299.186   57.108  192.090   68.457  230.262  101.524  160.265   92.701  325.275   80.432  273.098   81.093 52.17758 114.2166 
1 1 1    2   13   16 o  401.802   98.176  364.358  152.628  364.358  152.628   0.0000   0.0000  401.802   98.176  ?   ?       ?      ? 
1 1 1    2   13   17 o  524.880   79.583  640.478  158.125  617.401  225.306  662.878  221.976  513.219  115.309  536.541  109.717 -23.32135 159.1668 
1 1 1    2   13   18 o  367.534   53.025  296.881   68.377  310.087   81.661  265.901  125.074  391.164   53.496  343.904   91.568 47.25961 106.0499 
1 1 1    2   13   19 o  779.773   79.955  1449.05  168.843  1475.65  186.091  1325.21  401.576  850.079   56.096  709.467  149.749 140.6123 159.9107 
1 1 1    2   13   20 o  680.735   73.158  1156.81  146.912  1237.76  167.980  893.468  302.985  776.542   55.432  584.929  135.409 191.6132 146.3159 
1 1 1    2   13   21 f  188.610   52.769   51.491   57.308   71.852   87.094   35.944   76.104  203.009   78.074  174.210   71.012 28.79910 105.5386 
1 1 1    2   13   22 o  290.793   48.046  206.378   35.350  212.468   37.116  146.891  116.001  326.708   29.112  254.878   91.575 71.83057 96.09122 
1 1 1    2   13   23 o  462.325   56.262  435.669   52.690  424.625   54.779  572.231  192.623  460.472   30.485  464.179  108.317 -3.706818 112.5247 
1 1 1    2   13   24 o  340.252   60.560  311.593   86.273  381.723  108.305  189.830  142.710  412.211   67.328  268.293  100.684 143.9179 121.1208 
1 1 1    2   13   25 o  243.989   45.947  169.051   36.687  181.400   38.049   5.7953  138.344  298.955   32.614  189.023   85.912 109.9317 91.89376 
1 1 1    2   13   26 o  284.491   51.983  226.597   38.831  233.203   39.957  114.295  164.742  339.490   30.160  229.492   99.495 109.9983 103.9658 
1 1 1    2   13   27 o  159.332   52.819   17.465   15.194   16.917   15.247   95.016  181.507   95.266   33.297  223.397  100.254 -128.1308 105.6386 
1 1 1    2   13   28 o  179.988   54.146   43.252   20.994   42.801   21.104   86.232  206.191  140.807   37.670  219.167  101.529 -78.35995 108.2916 
1 1 1    2   13   29 o  202.211   50.627   86.652   26.074   87.680   26.255   12.864  222.401  205.750   32.700  198.672   95.828 7.077606 101.2536 
1 1 1    2   13   30 o  165.669   37.615   60.431   23.763   60.431   23.763   0.0000   0.0000  165.669   37.615  ?   ?       ?      ? 
1 1 1    2   13   31 o  146.030   48.207   24.320   18.395   24.508   18.471   1.3704  203.980  108.871   36.694  183.188   89.159 -74.31707 96.41465 
1 1 1    2   13   32 o  222.888   47.048  140.671   32.162  143.954   32.633   29.404  189.968  262.261   31.885  183.514   88.529 78.74693 94.09599 
1 1 1    2   13   33 o  181.961   40.797   89.534   27.183   95.299   27.640 -80.8223  150.249  212.102   33.393  151.821   74.449 60.28073 81.59493 
1 1 1    2   14    0 o  961.982   74.749  2021.23  280.582  1985.04  394.195  2058.40  399.464  952.975  105.998  970.988  105.422 -18.01270 149.4973 
1 1 1    2   14    1 f  522.809   47.829  557.096   97.255  497.945  133.404  624.196  142.085  492.670   69.388  552.948   65.846 -60.27820 95.65766 
1 1 1    2   14    2 o  1051.80   81.723  2464.15  335.349  2540.79  478.798  2390.34  469.839  1068.72  114.804  1034.89  116.339 33.83264 163.4460 
1 1 1    2   14    3 o  324.896   43.220  220.144   52.738  218.337   72.866  222.131   76.426  323.852   59.862  325.940   62.358 -2.087952 86.44016 
1 1 1    2   14    4 o  516.849   48.058  545.586   96.877  523.048  134.739  569.706  139.390  505.702   68.276  527.997   67.650 -22.29517 96.11501 
1 1 1    2   14    5 o  553.909   66.561  676.643  130.775  712.704  161.784  608.661  222.134  589.716   70.301  518.102  113.045 71.61395 133.1217 
1 1 1    2   14    6 o  675.156   74.863  1013.87  179.178  1049.89  221.475  945.611  304.842  711.056   79.816  639.256  126.677 71.80023 149.7251 
1 1 1    2   14    7 o  555.360   66.605  686.467  131.268  742.461  163.767  585.838  219.541  602.433   69.660  508.287  113.545 94.14612 133.2108 
1 1 1    2   14    8 o  415.530   54.244  352.136   81.218  332.043   98.786  394.050  142.674  404.689   62.552  426.370   88.640 -21.68066 108.4887 
1 1 1    2   14    9 f  556.128   70.850  633.970  153.760  633.970  153.760   0.0000   0.0000  556.128   70.850  ?   ?       ?      ? 
1 1 1    2   14   10 o  322.405   52.575  220.401   62.984  216.872   78.934  226.586  104.493  321.207   65.199  323.603   82.497 -2.395721 105.1506 
1 1 1    2   14   11 o  419.392   66.913  387.798  106.937  412.701  153.252  364.167  149.289  433.345   93.377  405.439   95.865 27.90649 133.8259 
1 1 1    2   14   12 o  526.207  107.704  625.261  213.718   0.0000   0.0000  625.261  213.718  ?   ?   526.207  107.704      ?      ? 
1 1 1    2   14   13 o  211.661   48.469   89.857   46.502   66.764   66.746  111.641   64.825  192.729   69.441  230.593   67.638 -37.86382 96.93785 
1 1 1    2   14   14 o  169.653   42.709   49.526   35.310   65.961   55.100   38.074   45.996  185.450   63.373  153.857   57.273 31.59288 85.41849 
1 1 1    2   14   15 o  347.596   63.743  269.309   87.543  239.720  124.664  298.097  122.963  327.860   93.091  367.333   87.102 -39.47253 127.4859 
1 1 1    2   14   16 o  318.807   86.303  224.889  110.000   0.0000   0.0000  224.889  110.000  ?   ?   318.807   86.303      ?      ? 
1 1 1    2   14   17 o  137.618   54.112   23.855   42.574   0.0000   0.0000   23.855   42.574  ?   ?   137.618   54.112      ?      ? 
1 1 1    2   14   18 o  191.510   68.721   68.168   65.307   0.0000   0.0000   68.168   65.307  ?   ?   191.510   68.721      ?      ? 
1 1 1    2   14   19 o  418.273   60.176  389.044   91.300  388.411  111.893  390.304  157.927  430.022   66.677  406.524  100.193 23.49835 120.3513 
1 1 1    2   14   20 o  778.980   77.302  1466.75  170.395  1477.34  189.827  1422.83  386.615  842.193   57.758  715.766  143.410 126.4272 154.6042 
1 1 1    2   14   21 o  465.475   61.917  461.339  112.470  461.339  112.470   0.0000   0.0000  465.475   61.917  ?   ?       ?      ? 
1 1 1    2   14   22 o  217.646   55.031   88.741   62.647  165.712   94.705   28.854   83.536  263.272   82.721  172.020   72.601 91.25214 110.0625 
1 1 1    2   14   23 o  213.492   44.933  100.119   27.750  102.438   28.709   67.159  108.243  225.201   32.668  201.784   83.718 23.41669 89.86630 
1 1 1    2   14   24 o  259.296   48.901  170.941   32.361  174.899   33.319  105.041  135.955  294.811   28.961  223.781   93.416 71.02989 97.80198 
1 1 1    2   14   25 o  197.663   44.922   84.971   24.632   87.381   25.095   21.398  128.893  207.639   30.970  187.686   84.337 19.95316 89.84367 
1 1 1    2   14   26 o  290.264   51.273  258.938   41.737  269.968   42.902   64.067  180.335  364.950   30.124  215.578   98.022 149.3728 102.5460 
1 1 1    2   14   27 o  279.760   57.522  254.113   88.771  339.932  100.034 -63.9164  192.571  372.007   71.505  187.513   90.122 184.4938 115.0433 
1 1 1    2   14   28 o  195.829   32.614   79.217   24.924   79.217   24.924   0.0000   0.0000  195.829   32.614  ?   ?       ?      ? 
1 1 1    2   14   29 o  234.432   32.086  114.252   29.354  114.252   29.354   0.0000   0.0000  234.432   32.086  ?   ?       ?      ? 
1 1 1    2   14   30 o  235.741   46.703  171.770   34.805  177.610   35.267 -46.4465  215.581  292.273   30.921  179.209   88.139 113.0642 93.40569 
1 1 1    2   14   31 o  128.558   44.129   14.042   16.925   14.980   16.993 -101.4914  188.577   92.795   34.759  164.320   81.124 -71.52463 88.25709 
1 1 1    2   14   32 f  181.986   45.553   76.423   25.767   77.431   26.166   44.066  148.206  187.314   37.108  176.659   83.206 10.65446 91.10526 
1 1 1    2   15    0 o  792.748   62.134  1319.74  192.125  1265.98  267.758  1376.79  275.834  775.749   88.448  809.748   87.290 -33.99945 124.2688 
1 1 1    2   15    1 o  303.820   42.746  191.666   48.680  182.943   65.276  202.596   73.069  296.428   58.506  311.212   62.338 -14.78427 85.49290 
1 1 1    2   15    2 o  804.292   63.782  1364.72  200.189  1360.30  282.121  1369.19  284.109  803.105   90.018  805.479   90.386 -2.373718 127.5649 
1 1 1    2   15    3 o  334.692   41.589  226.006   52.630  182.817   70.224  281.350   79.494  295.153   62.893  374.231   54.433 -79.07767 83.17735 
1 1 1    2   15    4 o  215.820   40.072   96.303   33.888   90.837   44.621  103.752   52.090  208.863   54.256  222.777   58.987 -13.91391 80.14481 
1 1 1    2   15    5 o  442.201   68.459  429.843  115.030  486.931  165.366  376.323  160.115  473.024   92.899  411.377  100.579 61.64777 136.9176 
1 1 1    2   15    6 o  438.185   67.865  420.533  112.864  373.739  155.168  473.101  164.465  410.831   98.132  465.540   93.770 -54.70917 135.7307 
1 1 1    2   15    7 o  510.653   74.324  581.124  143.177  616.437  204.521  547.183  200.506  527.417  103.064  493.889  107.115 33.52823 148.6471 
1 1 1    2   15    8 o  458.042   70.330  465.270  122.109  470.594  172.912  459.974  172.466  460.918   99.080  455.166   99.842 5.752014 140.6603 
1 1 1    2   15    9 o  323.790   47.693  197.268   55.330  150.211   66.184  306.495  100.835  266.491   64.366  381.090   70.397 -114.5989 95.38664 
1 1 1    2   15   10 o  346.369   43.296  205.438   53.215  129.855   62.666  400.894  100.772  247.749   64.268  444.989   58.031 -197.2394 86.59120 
1 1 1    2   15   11 o  565.978   53.792  621.680  112.188  538.370  134.645  810.847  202.892  512.016   67.387  619.940   83.865 -107.9244 107.5844 
1 1 1    2   15   12 o  778.480  101.376  1466.65  300.531  1689.46  450.574  1288.08  403.365  840.568  137.361  716.393  149.132 124.1752 202.7519 
1 1 1    2   15   13 o  360.750   89.758  289.007  125.849   0.0000   0.0000  289.007  125.849  ?   ?   360.750   89.758      ?      ? 
1 1 1    2   15   14 o  481.711  104.423  529.551  190.635   0.0000   0.0000  529.551  190.635  ?   ?   481.711  104.423      ?      ? 
1 1 1    2   15   15 o  211.066   69.494   90.214   66.325   0.0000   0.0000   90.214   66.325  ?   ?   211.066   69.494      ?      ? 
1 1 1    2   15   16 o  429.470   71.846  424.724  118.380  441.404  172.736  409.952  162.557  436.709  103.025  422.232  100.167 14.47736 143.6928 
1 1 1    2   15   17 o  450.255   76.602  484.558  133.576  424.097  190.900  542.556  186.971  417.569  113.966  482.940  102.386 -65.37036 153.2034 
1 1 1    2   15   18 o  347.847   71.285  291.350  102.865  257.731  156.821  316.738  136.279  327.762  106.807  367.932   94.437 -40.16989 142.5700 
1 1 1    2   15   19 o  282.330   68.371  183.523   87.846  183.086  153.329  183.736  107.180  283.068  104.728  281.593   87.924 1.474762 136.7426 
1 1 1    2   15   20 o  327.300   68.641  257.135   93.145  208.421  120.226  330.280  147.319  292.810   93.343  361.790  100.665 -68.98029 137.2821 
1 1 1    2   15   21 o  507.074  152.132  891.565  325.012  891.565  325.012   0.0000   0.0000  507.074  152.132  ?   ?       ?      ? 
1 1 1    2   15   22 o  289.970   61.252  219.512   81.104  293.350  107.465  121.799  123.623  346.941   80.868  232.998   92.020 113.9429 122.5044 
1 1 1    2   15   23 o  303.923   67.295  257.626   89.078  273.487  111.004  228.938  149.290  325.862   86.027  281.985  103.508 43.87692 134.5898 
1 1 1    2   15   24 o  321.478   64.191  301.248   93.589  391.587  120.502  163.920  148.573  395.690   80.772  247.267   99.790 148.4237 128.3822 
1 1 1    2   15   25 o  386.310   62.592  403.952   53.076  405.092   54.940  387.997  205.515  446.308   31.544  326.312  121.144 119.9962 125.1836 
1 1 1    2   15   26 o  407.785   31.112  339.111   49.510  339.111   49.510   0.0000   0.0000  407.785   31.112  ?   ?       ?      ? 
1 1 1    2   15   28 o  291.862   52.727  277.900   42.947  283.604   43.741  125.037  226.444  370.853   30.224  212.870  101.029 157.9826 105.4533 
1 1 1    2   15   29 o  174.898   43.783   72.959   23.838   76.445   23.986 -206.7380  214.855  188.481   33.855  161.316   80.756 27.16576 87.56568 
1 1 1    2   15   30 o  202.084   47.014  102.845   27.596  105.130   27.819 -37.9143  218.380  224.337   31.776  179.832   88.496 44.50494 94.02844 
1 1 1    2   15   31 o  148.240   48.137   21.283   18.283   19.966   18.418  110.261  151.350  101.519   36.488  194.962   89.092 -93.44325 96.27456 
1 1 1    2   15   32 o  146.175   43.855   35.485   20.857   35.861   21.102   19.568  137.294  126.790   38.919  165.560   78.602 -38.77021 87.70949 
1 1 1    2   16    0 o  466.522   46.786  443.403   85.137  434.975  118.233  452.479  122.693  462.101   65.565  470.942   66.761 -8.840912 93.57210 
1 1 1    2   16    1 o  212.088   46.486   91.235   42.148   97.844   64.279   86.250   55.823  218.614   68.062  205.562   63.334 13.05269 92.97137 
1 1 1    2   16    2 o  585.118   68.849  756.833  143.864  687.040  241.076  795.434  179.287  548.977  116.154  621.260   73.951 -72.28314 137.6974 
1 1 1    2   16    3 o  419.727   57.571  386.995   88.309  322.697  144.137  425.635  111.737  381.578   96.680  457.876   62.534 -76.29767 115.1416 
1 1 1    2   16    4 f  301.985   50.740  199.363   58.558  164.230   92.528  222.836   75.631  277.256   80.661  326.714   61.578 -49.45801 101.4791 
1 1 1    2   16    5 o  469.303   72.046  491.366  128.190  515.302  182.001  467.801  180.584  481.913  100.051  456.694  103.694 25.21890 144.0924 
1 1 1    2   16    6 o  470.081   71.385  490.700  127.073  432.019  174.518  556.923  185.393  438.055  103.697  502.106   98.134 -64.05066 142.7706 
1 1 1    2   16    7 o  366.245   64.229  295.705   91.741  336.046  130.997  256.875  128.520  391.862   87.836  340.627   93.736 51.23453 128.4588 
1 1 1    2   16    8 o  713.067  136.759  1222.41  366.711  1222.41  366.711   0.0000   0.0000  713.067  136.759  ?   ?       ?      ? 
1 1 1    2   16    9 o  187.469   40.670   58.607   33.094   28.784   40.805  115.923   56.568  140.575   53.588  234.362   61.192 -93.78699 81.33949 
1 1 1    2   16   10 o  208.777   45.036   82.944   39.440   60.409   49.440  122.381   65.403  177.279   60.032  240.276   67.150 -62.99736 90.07250 
1 1 1    2   16   11 o  759.860   86.042  1365.39  232.116  1439.58  290.039  1233.25  387.112  818.271   90.830  701.448  146.161 116.8224 172.0847 
1 1 1    2   16   12 o  570.057   78.175  683.128  173.907  683.128  173.907   0.0000   0.0000  570.057   78.175  ?   ?       ?      ? 
1 1 1    2   16   13 o  689.174   96.119  1166.70  249.236  1080.04  346.999  1259.06  358.215  658.337  139.407  720.010  132.367 -61.67322 192.2376 
1 1 1    2   16   14 o  734.032   72.232  1035.75  189.339  807.621  220.001  1687.35  371.816  608.252   92.685  859.811  110.814 -251.5584 144.4649 
1 1 1    2   16   15 o  286.000   59.099  179.292   75.073   94.184  108.332  257.925  104.130  230.176   87.418  341.824   79.554 -111.6486 118.1983 
1 1 1    2   16   16 o  677.331   99.613  1196.45  254.310  1350.49  376.404  1067.09  344.948  721.219  138.776  633.443  142.941 87.77563 199.2256 
1 1 1    2   16   17 o  234.176   59.693  113.254   68.911   85.059  119.135  127.431   84.478  226.559   90.062  241.794   78.368 -15.23412 119.3851 
1 1 1    2   16   18 o  258.982   64.595  151.124   80.349  130.962  135.026  162.178   99.977  252.150   97.147  265.813   85.161 -13.66286 129.1898 
1 1 1    2   16   19 o  230.208   62.628  103.868   74.650  124.772  135.195   94.699   89.537  245.156   96.418  215.260   79.952 29.89687 125.2553 
1 1 1    2   16   20 o  116.021   39.860 -62.6472   42.852 -126.3951  102.987 -49.2992   47.126  134.391   64.918   97.651   46.271 36.73962 79.72056 
1 1 1    2   16   21 o  390.050   64.466  400.796   98.171  450.751  126.406  324.869  155.837  442.220   73.248  337.880  106.104 104.3404 128.9320 
1 1 1    2   16   22 o  222.187   62.362  112.135   80.521  113.652  109.002  110.314  119.464  222.064   86.801  222.311   89.565 -0.2462311 124.7243 
1 1 1    2   16   23 o  485.700   73.446  695.432  119.930  722.240  137.931  612.363  242.801  565.461   62.507  405.938  132.930 159.5231 146.8927 
1 1 1    2   16   24 o  265.937   86.485  190.433  102.840  190.433  102.840   0.0000   0.0000  265.937   86.485  ?   ?       ?      ? 
1 1 1    2   16   25 f  204.238   80.995   97.149   96.141   97.149   96.141   0.0000   0.0000  204.238   80.995  ?   ?       ?      ? 
1 1 1    2   16   26 o  132.386   41.436   23.845   16.218   25.812   16.305 -157.0851  156.384  111.108   34.229  153.664   75.474 -42.55572 82.87253 
1 1 1    2   16   27 o  134.128   38.326   33.691   18.987   37.968   19.172 -184.5228  136.947  132.022   36.151  136.234   67.592 -4.211594 76.65285 
1 1 1    2   16   28 o  290.973   51.875  299.692   73.806  359.811   82.672   63.650  163.814  392.661   53.952  189.285   88.619 203.3763 103.7504 
1 1 1    2   16   29 o  223.386   53.973   96.750   25.367   93.887   25.609  246.332  185.109  212.409   30.895  234.363  103.430 -21.95468 107.9458 
1 1 1    2   16   30 o  271.593   55.365  252.119   65.807  264.516   70.114  160.414  190.694  334.938   53.643  208.248   96.870 126.6906 110.7309 
1 1 1    2   16   31 o  102.497   38.177  -9.6545   13.544  -9.1739   13.621 -52.0238  127.880   57.043   26.309  147.950   71.678 -90.90688 76.35371 
1 1 1    2   17    0 o  313.091   45.042  201.106   52.696  168.152   68.695  248.224   82.142  281.989   63.903  344.192   63.494 -62.20319 90.08398 
1 1 1    2   17    1 o  381.017   46.424  298.730   67.218  282.443   89.570  319.729  101.703  372.615   61.598  389.420   69.472 -16.80478 92.84780 
1 1 1    2   17    2 o  331.213   48.257  234.449   59.954  250.473   80.544  214.539   89.783  346.297   61.871  316.128   74.073 30.16852 96.51350 
1 1 1    2   17    3 o  286.522   45.998  179.477   52.141  233.776   69.612  110.080   78.697  340.871   52.332  232.174   75.662 108.6973 91.99662 
1 1 1    2   17    4 o   80.792   27.504  -7.0634   10.418  -5.9384   10.690 -28.3302   46.476   53.208   24.062  108.377   49.465 -55.16936 55.00708 
1 1 1    2   17    5 o  370.165   58.134  315.325   79.484  358.516   96.912  226.563  138.929  420.178   59.104  320.152  100.126 100.0268 116.2684 
1 1 1    2   17    6 o  275.094   52.765  158.580   54.331  154.316   64.364  169.151  101.333  270.044   62.340  280.144   85.149 -10.10001 105.5302 
1 1 1    2   17    7 o  1081.81  125.195  3060.57  471.956  2953.96  570.313  3292.21  840.661  1120.84  130.388  1042.78  213.763 78.06262 250.3906 
1 1 1    2   17    8 o  267.067   63.127  151.404   64.752  151.404   64.752   0.0000   0.0000  267.067   63.127  ?   ?       ?      ? 
1 1 1    2   17    9 o  217.158   48.387   94.748   44.219   88.298   54.746  106.855   75.002  206.431   62.551  227.885   73.840 -21.45364 96.77324 
1 1 1    2   17   10 o  681.471   81.152  982.458  215.814  982.458  215.814   0.0000   0.0000  681.471   81.152  ?   ?       ?      ? 
1 1 1    2   17   11 o  896.115  189.581  2324.47  642.272  2324.47  642.272   0.0000   0.0000  896.115  189.581  ?   ?       ?      ? 
1 1 1    2   17   12 o  1072.59  138.223  3404.82  522.797  3463.45  645.439  3292.99  891.461  1181.67  139.967  963.504  238.395 218.1674 276.4471 
1 1 1    2   17   13 o  239.346   52.719  111.464   63.945   1.1159   95.201  202.169   86.313  174.303   75.601  304.389   73.496 -130.0860 105.4381 
1 1 1    2   17   14 o  174.916   47.751   47.203   45.611   38.058   73.724   52.873   58.055  175.393   70.466  174.439   64.461 0.9549103 95.50252 
1 1 1    2   17   15 f  330.167   91.939  253.730  122.836  253.730  122.836   0.0000   0.0000  330.167   91.939  ?   ?       ?      ? 
1 1 1    2   17   16 o  357.829   72.522  319.089  107.938  267.218  161.646  360.826  145.001  327.669  108.519  387.989   96.235 -60.32022 145.0433 
1 1 1    2   17   17 o  419.758   80.447  471.137  136.957  398.626  202.120  532.692  186.227  380.143  121.013  459.373  106.034 -79.22946 160.8949 
1 1 1    2   17   18 o  286.250   65.397  204.375   99.083   19.006  161.457  316.359  125.492  213.043   95.154  359.458   89.739 -146.4154 130.7949 
1 1 1    2   17   19 o  196.268   58.937   17.561   63.533  150.817  145.600 -13.7787   70.610  252.788   99.856  139.747   62.635 113.0419 117.8742 
1 1 1    2   17   20 o  274.817   74.671  212.522  114.532  152.814  200.299  241.529  139.607  254.982  110.127  294.652  100.873 -39.67047 149.3427 
1 1 1    2   17   21 o  288.136   66.529  226.448   91.971  316.324  129.412  134.729  130.732  341.224   94.127  235.048   94.046 106.1754 133.0583 
1 1 1    2   17   22 o  140.725   67.079 -81.8696  102.023 -81.8696  102.023   0.0000   0.0000  140.725   67.079  ?   ?       ?      ? 
1 1 1    2   17   23 f  209.396   76.056  104.949   80.298  104.949   80.298   0.0000   0.0000  209.396   76.056  ?   ?       ?      ? 
1 1 1    2   17   24 o  157.399   51.511 -16.6729   71.047  -1.6854   84.997 -51.4268  129.432  151.421   68.222  163.377   77.196 -11.95590 103.0213 
1 1 1    2   17   25 o  160.770   52.816 -14.3870   79.110   25.746   93.045 -119.0835  150.283  164.734   72.983  156.806   76.364 7.927704 105.6319 
1 1 1    2   17   26 o  129.537   44.174 -58.3897   59.557 -43.7267   68.847 -101.9873  118.715  119.101   56.283  139.973   68.101 -20.87177 88.34885 
1 1 1    2   17   27 o  313.361   47.050  360.415   54.564  402.521   58.391   70.451  153.232  437.332   34.214  189.390   87.660 247.9420 94.10054 
1 1 1    2   17   28 o  161.355   39.141   63.301   23.086   68.022   23.596 -42.4540  111.677  176.620   35.466  146.090   69.787 30.53004 78.28186 
1 1 1    2   17   29 o  261.669   46.724  222.320   38.040  230.631   39.183   86.063  158.650  333.082   30.145  190.256   88.453 142.8260 93.44872 
1 1 1    2   17   30 o  125.311   41.796  -4.5221   40.676   10.120   42.769 -143.2137  131.629  116.335   50.565  134.288   66.565 -17.95319 83.59253 
1 1 1    2   18    0 o  813.374   64.807  1400.57  204.035  1204.70  270.649  1658.44  310.545  747.594   92.770  879.154   90.516 -131.5610 129.6130 
1 1 1    2   18    1 o  312.220   51.182  225.678   64.935  304.455   83.404  104.439  103.469  387.906   55.097  236.534   86.270 151.3720 102.3631 
1 1 1    2   18    2 o  333.057   53.533  244.282   67.580  269.437   84.875  200.712  111.701  363.737   59.795  302.377   88.813 61.35956 107.0662 
1 1 1    2   18    3 o  630.314   56.346  838.526  137.411  960.741  195.047  718.096  193.618  679.460   73.560  581.169   85.371 98.29114 112.6915 
1 1 1    2   18    4 o  744.555   61.710  1177.42  178.739  1103.48  241.361  1267.20  265.980  719.797   85.926  769.313   88.596 -49.51563 123.4201 
1 1 1    2   18    5 o  168.402   46.652   42.850   37.820   52.059   41.082  -8.3187   96.839  164.042   54.726  172.761   75.568 -8.718307 93.30352 
1 1 1    2   18    6 o  658.695   78.495  1007.35  181.686  1055.06  223.577  914.568  311.759  706.508   81.092  610.881  134.424 95.62701 156.9897 
1 1 1    2   18    7 o  222.712   51.908   88.212   45.135   76.231   50.938  131.987   97.369  193.306   60.656  252.118   84.253 -58.81223 103.8153 
1 1 1    2   18    8 o  202.963   61.045   85.561   52.283   85.561   52.283   0.0000   0.0000  202.963   61.045  ?   ?       ?      ? 
1 1 1    2   18    9 o   62.991   22.817 -58.1644   15.809 -57.6892   17.256 -60.6459   39.433   42.704   21.572   83.279   40.214 -40.57493 45.63484 
1 1 1    2   18   10 o  536.824   69.166  674.736  132.712  750.431  166.929  544.704  218.788  598.785   71.438  474.862  118.458 123.9228 138.3318 
1 1 1    2   18   11 f  731.045  153.237  1429.02  423.181  1429.02  423.181   0.0000   0.0000  731.045  153.237  ?   ?       ?      ? 
1 1 1    2   18   12 o  592.424   63.404  688.485  136.628  547.162  161.320  1047.07  256.967  502.451   82.274  682.398   96.496 -179.9472 126.8087 
1 1 1    2   18   13 o  228.196   56.897  104.692   66.735   40.222  104.982  148.409   86.449  197.560   82.247  258.831   78.642 -61.27110 113.7942 
1 1 1    2   18   14 o  247.325   85.769  133.117  101.072  133.117  101.072   0.0000   0.0000  247.325   85.769  ?   ?       ?      ? 
1 1 1    2   18   15 o  463.628   92.481  510.219  161.456  510.219  161.456   0.0000   0.0000  463.628   92.481  ?   ?       ?      ? 
1 1 1    2   18   16 o  398.289   69.664  381.976  114.493  208.173  150.282  622.409  176.756  288.407  104.156  508.170   92.542 -219.7626 139.3281 
1 1 1    2   18   17 o  374.834   79.941  401.690  128.473  350.778  197.019  439.355  169.457  344.402  119.731  405.265  105.956 -60.86319 159.8816 
1 1 1    2   18   18 o  363.159  127.222  435.012  222.647  435.012  222.647   0.0000   0.0000  363.159  127.222  ?   ?       ?      ? 
1 1 1    2   18   19 o  224.789  100.710   69.456  182.349   69.456  182.349   0.0000   0.0000  224.789  100.710  ?   ?       ?      ? 
1 1 1    2   18   20 o  362.277  139.283  553.868  277.129  553.868  277.129   0.0000   0.0000  362.277  139.283  ?   ?       ?      ? 
1 1 1    2   18   21 o  215.844   69.235   41.522   94.196  208.377  233.014   8.9286  102.985  262.205  115.864  169.482   75.825 92.72366 138.4702 
1 1 1    2   18   22 o  145.895   47.331 -19.9062   60.245   7.9374   72.382 -82.6877  108.688  147.466   64.897  144.323   68.916 3.143570 94.66271 
1 1 1    2   18   23 o  222.396   58.617  126.797   63.509  130.080   71.685  114.814  136.939  227.048   72.045  217.745   92.483 9.302963 117.2332 
1 1 1    2   18   24 o  159.522   50.866   15.232   62.216   17.203   73.641   10.317  116.292  149.261   65.578  169.783   77.776 -20.52254 101.7326 
1 1 1    2   18   25 o  156.017   49.956   16.889   63.172   36.132   74.070 -34.4584  120.993  156.254   67.229  155.780   73.909 0.4741669 99.91147 
1 1 1    2   18   26 o  219.485   57.892  138.650   60.291  133.412   67.057  160.749  137.731  221.683   69.600  217.286   92.530 4.396713 115.7838 
1 1 1    2   18   27 o  212.577   47.363  136.999   58.469  197.089   66.831 -59.0737  120.722  278.377   62.990  146.776   70.747 131.6010 94.72545 
1 1 1    2   18   28 o  333.830   62.016  393.001   81.194  400.399   88.657  354.528  202.183  409.994   55.412  257.665  110.966 152.3288 124.0317 
1 1 1    2   18   29 o  137.145   41.908   30.213   18.215   31.738   18.340 -80.7803  156.489  120.270   36.150  154.021   75.619 -33.75090 83.81538 
1 1 1    2   19    0 o  239.669   51.947  117.650   48.529  116.141   55.947  122.239   97.530  234.077   60.727  245.261   84.299 -11.18364 103.8946 
1 1 1    2   19    1 o  208.296   55.418   73.900   60.526   76.907   78.138   69.390   95.699  205.852   74.987  210.741   81.619 -4.889114 110.8364 
1 1 1    2   19    2 o  305.936   56.708  205.359   64.442  209.304   76.184  195.438  120.818  314.043   64.328  297.829   93.409 16.21408 113.4166 
1 1 1    2   19    3 f  127.744   41.647 -61.8223   25.388 -72.1312   26.481   55.346   89.277   57.103   28.551  198.386   78.247 -141.2834 83.29355 
1 1 1    2   19    4 o  504.452   61.519  567.769  114.162  634.039  149.907  476.267  176.148  552.365   69.545  456.540  101.499 95.82501 123.0390 
1 1 1    2   19    5 o  491.312   67.698  541.261  115.462  547.587  137.438  526.085  212.865  513.457   68.591  469.167  116.736 44.28983 135.3959 
1 1 1    2   19    6 o  297.546   58.441  204.135   67.462  223.174   78.571  150.719  131.605  323.955   64.418  271.137   97.527 52.81851 116.8817 
1 1 1    2   19    7 o  330.799   66.834  234.196   83.307  234.196   83.307   0.0000   0.0000  330.799   66.834  ?   ?       ?      ? 
1 1 1    2   19    8 o  244.033   65.466  128.056   63.636  128.056   63.636   0.0000   0.0000  244.033   65.466  ?   ?       ?      ? 
1 1 1    2   19    9 o  499.923   69.689  585.653  123.972  614.771  151.243  526.024  216.430  539.317   71.862  460.529  119.425 78.78870 139.3785 
1 1 1    2   19   10 o  254.394   54.084  117.741   57.622   66.602   69.853  226.643  101.937  191.727   70.737  317.061   81.832 -125.3343 108.1676 
1 1 1    2   19   12 o  200.074   75.642   72.807   80.877   72.807   80.877   0.0000   0.0000  200.074   75.642  ?   ?       ?      ? 
1 1 1    2   19   13 o  589.930  145.240  1030.95  332.128  1030.95  332.128   0.0000   0.0000  589.930  145.240  ?   ?       ?      ? 
1 1 1    2   19   14 o  531.115   96.550  689.325  192.740  689.325  192.740   0.0000   0.0000  531.115   96.550  ?   ?       ?      ? 
1 1 1    2   19   15 o  265.336   93.357  172.550  119.958  172.550  119.958   0.0000   0.0000  265.336   93.357  ?   ?       ?      ? 
1 1 1    2   19   16 o  433.604  107.678  516.062  181.370  516.062  181.370   0.0000   0.0000  433.604  107.678  ?   ?       ?      ? 
1 1 1    2   19   17 o  203.527   89.357   46.811  136.515   46.811  136.515   0.0000   0.0000  203.527   89.357  ?   ?       ?      ? 
1 1 1    2   19   18 o  274.915  113.547  229.830  197.833  229.830  197.833   0.0000   0.0000  274.915  113.547  ?   ?       ?      ? 
1 1 1    2   19   19 o  428.905   80.626  602.537  187.563   90.055  261.911  1142.05  268.729  240.077  112.289  617.732  115.729 -377.6553 161.2513 
1 1 1    2   19   20 o  239.152   69.727  150.362  102.666   60.006  229.824  172.888  114.752  226.424  105.665  251.881   91.007 -25.45723 139.4537 
1 1 1    2   19   21 o  327.405   84.122  435.332  164.818  200.456  290.067  547.321  200.294  254.260  118.673  400.551  119.259 -146.2905 168.2439 
1 1 1    2   19   22 o  193.059   56.764   71.957   67.110   51.272   82.241  113.180  116.099  173.121   72.495  212.997   87.367 -39.87611 113.5271 
1 1 1    2   19   23 o  181.538   55.771  -4.7082   66.472 -70.7849   76.679  195.109  133.342  118.797   57.036  244.278   95.857 -125.4808 111.5417 
1 1 1    2   19   24 o  181.202   56.692  -8.0412   64.920 -67.0266   72.621  226.664  144.860  114.919   55.260  247.484   99.006 -132.5658 113.3838 
1 1 1    2   19   25 o  209.538   57.834  133.381   68.161  144.390   77.963   97.673  140.407  224.302   75.388  194.775   87.726 29.52769 115.6684 
1 1 1    2   19   26 o  150.528   49.531   0.0060   62.081  -9.6714   72.081   27.807  122.172  132.113   60.781  168.943   78.224 -36.82991 99.06210 
1 1 1    2   19   27 o  196.482   57.676  112.984   69.700  121.105   77.507   78.653  159.356  204.595   74.659  188.370   87.933 16.22447 115.3529 
1 1 1    2   19   28 o  158.705   45.480   48.386   21.867   49.538   22.023 -32.2695  184.241  148.616   37.865  168.795   82.704 -20.17873 90.96047 
1 1 1    2   20    0 o  614.580   74.347  842.959  157.896  808.599  187.473  926.819  292.881  616.058   77.980  613.102  126.606 2.956482 148.6942 
1 1 1    2   20    1 o  212.039   59.422   51.763   66.486   26.683   77.811  119.604  127.975  172.323   71.195  251.755   95.158 -79.43253 118.8436 
1 1 1    2   20    2 f  596.918   74.919  759.378  148.664  694.340  170.691  963.718  302.554  571.437   76.544  622.399  128.812 -50.96179 149.8382 
1 1 1    2   20    3 o  311.607   63.102  241.132   78.406  272.545   85.256   68.888  199.638  363.650   60.077  259.564  110.988 104.0866 126.2043 
1 1 1    2   20    4 o  347.676   69.085  271.459   79.330  274.511   85.116  251.272  218.888  364.825   59.785  330.527  124.565 34.29849 138.1694 
1 1 1    2   20    5 o  305.985   66.178  202.229   76.722  202.229   76.722   0.0000   0.0000  305.985   66.178  ?   ?       ?      ? 
1 1 1    2   20    6 o  378.917   69.357  310.521   98.778  310.521   98.778   0.0000   0.0000  378.917   69.357  ?   ?       ?      ? 
1 1 1    2   20    7 o   89.885   41.644 -27.4618   34.707 -27.4618   34.707   0.0000   0.0000   89.885   41.644  ?   ?       ?      ? 
1 1 1    2   20    8 f  141.101   58.308   16.675   52.206   16.675   52.206   0.0000   0.0000  141.101   58.308  ?   ?       ?      ? 
1 1 1    2   20    9 o  157.405   61.960   35.070   55.876   35.070   55.876   0.0000   0.0000  157.405   61.960  ?   ?       ?      ? 
1 1 1    2   20   10 o  176.168   47.233   34.915   55.351  103.602   64.849 -149.4077  106.231  218.074   68.440  134.262   65.113 83.81215 94.46615 
1 1 1    2   20   11 o  290.062   62.873  201.820   77.317  204.991  100.009  197.109  121.897  294.751   83.270  285.373   94.224 9.378418 125.7460 
1 1 1    2   20   12 f  470.279   71.475  516.492  121.898  416.950  148.221  724.522  214.273  410.528   94.480  530.031  107.276 -119.5030 142.9494 
1 1 1    2   20   13 o  367.890   91.536  338.719  130.883  338.719  130.883   0.0000   0.0000  367.890   91.536  ?   ?       ?      ? 
1 1 1    2   20   14 o  397.039   74.240  434.123  117.030  456.257  157.013  406.457  175.544  417.950   97.972  376.128  111.570 41.82239 148.4807 
1 1 1    2   20   15 o  294.186   72.185  249.584  107.492  158.978  173.023  306.536  137.176  253.657  105.593  334.716   98.452 -81.05933 144.3695 
1 1 1    2   20   16 f  488.266   65.399  401.941  153.952 -71.3735  181.497  1616.08  290.689  189.914   90.225  786.617   94.696 -596.7034 130.7976 
1 1 1    2   20   17 o  228.118   63.239  126.534   89.265 -13.6469  171.413  178.694  104.561  196.374   91.512  259.862   87.306 -63.48772 126.4787 
1 1 1    2   20   18 o  198.928   59.940   66.299   74.510   82.105  145.802   60.712   86.685  213.617   93.101  184.239   75.522 29.37801 119.8810 
1 1 1    2   20   19 o  369.220  116.901  459.688  188.816  459.688  188.816   0.0000   0.0000  369.220  116.901  ?   ?       ?      ? 
1 1 1    2   20   20 o  225.946   71.345  109.622  105.249  166.503  265.627   99.029  114.631  243.654  113.670  208.238   86.255 35.41576 142.6908 
1 1 1    2   20   21 o  261.311   74.960  257.891  141.613 -32.3526  298.702  342.041  160.837  211.040  103.786  311.581  108.188 -100.5409 149.9201 
1 1 1    2   20   22 o  215.755   89.028  136.302  121.453   0.0000   0.0000  136.302  121.453  ?   ?   215.755   89.028      ?      ? 
1 1 1    2   20   23 o  234.501   65.309  146.326   85.933   59.146  104.089  332.924  152.282  176.643   77.778  292.359  104.936 -115.7159 130.6178 
1 1 1    2   20   24 o  268.019   68.131  195.573   79.778  121.497   90.580  451.756  168.449  203.940   79.289  332.098  110.817 -128.1572 136.2617 
1 1 1    2   20   25 o  250.751   67.148  193.958   76.888  157.572   85.799  342.335  173.261  228.576   79.038  272.926  108.574 -44.35037 134.2955 
1 1 1    2   20   26 o  226.680   73.619  240.505  150.546  126.270  207.649  367.085  218.581  200.934   95.757  252.427  111.847 -51.49297 147.2383 
1 1 1    2   20   27 o  161.083   56.674 -115.3383  140.315 -167.1552  202.102 -67.1180  194.962  156.255   78.237  165.911   82.017 -9.656281 113.3488 
1 1 1    2   21    0 o  259.912   61.058  159.535   71.503  187.402   79.043   34.017  167.755  290.985   70.378  228.838   99.796 62.14665 122.1157 
1 1 1    2   21    1 o  194.498   58.290   20.819   69.964  -2.9250   82.686   80.667  131.276  159.618   69.824  229.379   93.357 -69.76074 116.5797 
1 1 1    2   21    2 o  479.478  109.357  567.779  200.087   0.0000   0.0000  567.779  200.087  ?   ?   479.478  109.357      ?      ? 
1 1 1    2   21    3 o  259.643   66.862  143.325   83.661  141.296  100.434  147.923  151.206  252.784   85.563  266.502  102.768 -13.71806 133.7243 
1 1 1    2   21    4 o  324.168   62.487  235.490   72.607  226.664   82.774  264.943  151.208  320.759   68.226  327.577  104.709 -6.818237 124.9748 
1 1 1    2   21    5 o  254.570   63.181  117.993   57.716  107.410   61.722  191.665  162.853  221.803   66.240  287.337  107.609 -65.53369 126.3623 
1 1 1    2   21    6 o  153.354   50.082 -16.6436   31.386 -21.2829   32.319   60.202  131.538   88.963   40.844  217.744   91.458 -128.7812 100.1637 
1 1 1    2   21    7 o  527.312   74.930  614.620  154.190  614.620  154.190   0.0000   0.0000  527.312   74.930  ?   ?       ?      ? 
1 1 1    2   21    8 o  169.153   51.735   13.102   48.733   5.0260   53.602   51.600  117.032  133.665   57.341  204.641   86.127 -70.97571 103.4695 
1 1 1    2   21    9 o  601.605   82.630  909.115  172.159  826.903  202.542  1123.15  326.803  592.899   87.539  610.311  140.169 -17.41254 165.2591 
1 1 1    2   21   10 o  215.314   61.916   81.788   80.011   74.773  102.336   92.821  128.332  206.029   82.934  224.600   91.959 -18.57143 123.8324 
1 1 1    2   21   11 o  299.058   73.921  240.185  106.226  287.768  159.017  201.839  142.749  320.525  107.667  277.592  101.318 42.93332 147.8427 
1 1 1    2   21   12 o  379.711  115.007  429.796  185.097   0.0000   0.0000  429.796  185.097  ?   ?   379.711  115.007      ?      ? 
1 1 1    2   21   13 o  234.803   59.210   89.967   81.764 -50.2865  110.349  260.710  121.754  157.276   73.336  312.329   92.979 -155.0530 118.4203 
1 1 1    2   21   14 o  291.409   70.375  228.907   97.915  152.110  128.237  336.279  151.630  243.604   94.444  339.213  104.360 -95.60922 140.7504 
1 1 1    2   21   15 o  269.462  101.379  209.960  144.867  209.960  144.867   0.0000   0.0000  269.462  101.379  ?   ?       ?      ? 
1 1 1    2   21   16 o  281.027   69.979  218.107   95.135  308.454  150.464  157.931  122.795  318.602  104.659  243.452   92.924 75.15025 139.9586 
1 1 1    2   21   17 o  206.566   88.453   80.868  127.127   80.868  127.127   0.0000   0.0000  206.566   88.453  ?   ?       ?      ? 
1 1 1    2   21   18 o  241.680  101.879  167.106  164.179  167.106  164.179   0.0000   0.0000  241.680  101.879  ?   ?       ?      ? 
1 1 1    2   21   19 o  232.586   68.404  150.528   97.255  180.294  178.260  137.913  116.048  240.502  103.882  224.670   89.021 15.83200 136.8075 
1 1 1    2   21   20 o  162.057   79.464 -133.5427  171.089 -133.5427  171.089   0.0000   0.0000  162.057   79.464  ?   ?       ?      ? 
1 1 1    2   21   21 o  247.883   75.352  269.610  139.545  174.077  310.853  293.721  156.164  221.626  108.343  274.140  104.755 -52.51331 150.7043 
1 1 1    2   21   22 o  167.673   84.491 -259.3779  255.585 -259.3779  255.585   0.0000   0.0000  167.673   84.491  ?   ?       ?      ? 
1 1 1    2   21   23 o  213.524   67.822  151.684  108.693  221.210  214.309  127.606  126.118  223.462  103.515  203.587   87.659 19.87492 135.6440 
1 1 1    2   21   24 o  150.528   51.646 -52.9337   83.728 -20.0942  158.339 -65.6806   98.649  168.228   81.071  132.828   64.006 35.39969 103.2920 
1 1 1    2   21   25 o  182.590   60.984   54.288  109.401  108.845  182.105   23.479  136.848  195.564   92.147  169.615   79.908 25.94890 121.9688 
1 1 1    2   21   26 o  138.144   65.694 -29.7055   96.671 -29.7055   96.671   0.0000   0.0000  138.144   65.694  ?   ?       ?      ? 
1 1 1    2   22    0 o  454.995   86.671  540.292  156.881  381.866  196.731  816.997  259.997  368.323  119.609  541.667  125.465 -173.3434 173.3428 
1 1 1    2   22    1 o  243.099   65.872  100.058   82.448   51.303   98.355  215.299  151.212  194.061   80.100  292.136  104.597 -98.07494 131.7443 
1 1 1    2   22    2 o  816.115  125.181  1827.99  398.676   0.0000   0.0000  1827.99  398.676  ?   ?   816.115  125.181      ?      ? 
1 1 1    2   22    3 f  212.997   61.563   77.721   75.484   94.809   85.448   17.000  161.077  213.301   78.306  212.693   95.017 0.6080322 123.1260 
1 1 1    2   22    4 o  941.921  152.377  2825.35  560.101   0.0000   0.0000  2825.35  560.101  ?   ?   941.921  152.377      ?      ? 
1 1 1    2   22    5 o  401.964   85.887  462.064  142.576  433.033  178.439  513.323  237.110  398.156  110.790  405.771  131.270 -7.614899 171.7739 
1 1 1    2   22    6 o  152.872   51.271 -50.5130   47.972 -61.7054   50.961   36.568  142.148   98.198   46.974  207.545   91.150 -109.3465 102.5416 
1 1 1    2   22    7 o   75.383   36.687 -57.4324   34.517 -57.4324   34.517   0.0000   0.0000   75.383   36.687  ?   ?       ?      ? 
1 1 1    2   22    8 o  200.196   53.653   78.559   65.781  130.830   74.045 -117.1941  143.291  236.011   72.980  164.381   78.668 71.62991 107.3065 
1 1 1    2   22    9 o  191.285   56.647   56.708   67.703   73.060   78.492   9.1881  133.805  192.016   74.044  190.554   85.749 1.461411 113.2930 
1 1 1    2   22   10 o  257.215   71.180  173.193  106.926  219.221  141.523  111.970  163.221  280.389  101.103  234.041  100.222 46.34819 142.3599 
1 1 1    2   22   11 o  260.906   71.577  182.308  108.525  252.254  149.949  105.368  157.268  293.444  104.256  228.369   98.101 65.07466 143.1539 
1 1 1    2   22   12 o  219.840   65.624   99.418   96.999   68.301  152.207  120.698  125.869  212.764   93.849  226.916   91.753 -14.15190 131.2490 
1 1 1    2   22   13 o  262.931   73.560  178.881  105.498  295.134  187.466  125.000  127.626  297.882  114.549  227.980   92.319 69.90181 147.1195 
1 1 1    2   22   14 o  284.958   73.508  240.135  128.821   6.1262  199.733  406.812  168.567  208.638   97.735  361.278  109.825 -152.6403 147.0160 
1 1 1    2   22   15 o  279.503   79.088  264.529  134.061  208.258  213.223  301.316  172.399  258.419  112.608  300.586  111.082 -42.16660 158.1764 
1 1 1    2   22   16 o  334.459   80.175  368.455  133.944  204.287  177.012  588.380  204.878  254.721  106.484  414.196  119.889 -159.4745 160.3503 
1 1 1    2   22   17 o  264.431   67.301  188.492  108.217 -13.0056  154.401  383.050  151.719  182.206   85.537  346.657  103.927 -164.4515 134.6012 
1 1 1    2   22   18 o  207.743   62.468  107.325   91.250   50.476  143.128  146.257  118.443  191.091   87.057  224.394   89.611 -33.30327 124.9364 
1 1 1    2   22   19 o  232.796   68.141  183.386  100.210  196.409  156.615  174.359  130.397  234.926   99.294  230.666   93.347 4.260178 136.2825 
1 1 1    2   22   20 o  146.933   72.395 -137.3350  147.636 -137.3350  147.636   0.0000   0.0000  146.933   72.395  ?   ?       ?      ? 
1 1 1    2   22   21 o  219.118   67.558  176.984  111.960  119.317  195.196  205.258  136.679  203.369   95.696  234.867   95.387 -31.49750 135.1158 
1 1 1    2   22   22 f  178.748   60.200   21.383   97.059  124.975  202.098  -9.6733  110.655  203.543   96.262  153.953   72.318 49.59000 120.4006 
1 1 1    2   22   23 o  195.963   64.061  107.231  115.656   41.498  216.417  133.509  136.834  188.689   91.836  203.236   89.339 -14.54771 128.1228 
1 1 1    2   22   24 o  185.735   59.353   90.377   91.486   98.536  117.710   77.929  145.393  187.608   82.653  183.862   85.203 3.745758 118.7059 
1 1 1    2   23    0 o  366.672   88.858  432.914  150.829  411.650  190.281  468.860  247.398  367.955  117.445  365.389  133.379 2.566132 177.7166 
1 1 1    2   23    1 o  340.996   76.976  317.252  114.800  236.464  146.301  446.700  185.193  292.547  103.082  389.444  114.348 -96.89691 153.9524 
1 1 1    2   23    2 o  371.553   80.794  408.362  127.804  387.670  170.120  435.173  193.642  366.010  110.122  377.096  118.253 -11.08551 161.5877 
1 1 1    2   23    3 o  204.000   58.101   78.818   56.100   84.106   59.622   37.986  165.679  194.920   65.925  213.081   95.692 -18.16069 116.2029 
1 1 1    2   23    4 o  418.642   92.233  524.363  155.137  412.996  183.833  799.912  289.165  368.690  115.154  468.595  144.108 -99.90524 184.4661 
1 1 1    2   23    5 o  306.458   79.631  279.719  120.141  267.772  143.280  308.010  220.485  307.487  102.184  305.429  122.160 2.058838 159.2630 
1 1 1    2   23    6 o  374.402   89.254  481.555  154.846  484.803  195.891  476.145  252.811  393.752  118.101  355.052  133.856 38.69971 178.5086 
1 1 1    2   23    7 o  286.739   76.124  202.263   86.605  202.263   86.605   0.0000   0.0000  286.739   76.124  ?   ?       ?      ? 
1 1 1    2   23    8 o  119.894   42.674 -86.9792   46.568 -76.1644   49.252 -178.1770  143.025   90.189   43.876  149.598   73.207 -59.40959 85.34867 
1 1 1    2   23    9 o  215.784   62.525   94.188   74.006   85.222   84.050  125.122  156.119  198.618   76.612  232.950   98.834 -34.33176 125.0502 
1 1 1    2   23   10 o  196.068   61.152   33.806   97.172  104.860  120.911 -95.7909  163.292  217.417   89.167  174.719   83.711 42.69830 122.3040 
1 1 1    2   23   11 o  210.943   63.269   37.625   80.551 -23.2189   92.804  223.468  162.193  151.030   69.293  270.855  105.879 -119.8248 126.5383 
1 1 1    2   23   12 o  203.942   62.944   62.334   89.439   37.568  109.389  112.279  155.341  183.011   80.177  224.873   97.053 -41.86237 125.8878 
1 1 1    2   23   13 f  182.436   58.337   19.245   87.941   23.945  114.482   12.480  137.354  179.174   80.069  185.697   84.864 -6.523331 116.6745 
1 1 1    2   23   14 o  227.098   67.989  133.751  104.841  155.652  141.823  107.362  155.679  235.629   96.596  218.566   95.704 17.06293 135.9778 
1 1 1    2   23   15 o  255.003  104.374  218.963  165.260  218.963  165.260   0.0000   0.0000  255.003  104.374  ?   ?       ?      ? 
1 1 1    2   23   16 o  195.060   89.616   54.928  155.951   54.928  155.951   0.0000   0.0000  195.060   89.616  ?   ?       ?      ? 
1 1 1    2   23   17 o  193.921   62.186   74.538  101.935   60.291  151.511   86.320  137.782  191.374   88.074  196.468   87.815 -5.093719 124.3722 
1 1 1    2   23   18 o  425.151   86.946  508.236  158.339  163.068  178.035  1814.44  346.335  217.213   98.219  633.088  143.498 -415.8755 173.8925 
1 1 1    2   23   19 o  229.841   66.696  172.797  109.663   1.0985  159.568  326.480  150.965  174.267   83.295  285.415  104.189 -111.1487 133.3921 
1 1 1    2   23   20 f  240.748   72.422  248.065  118.073  276.060  183.245  228.191  154.398  244.257  105.415  237.239   99.336 7.018082 144.8444 
1 1 1    2   23   21 o  196.796   63.314  104.497   99.794  148.605  185.469   86.523  118.394  207.204   96.094  186.389   82.464 20.81441 126.6273 
1 1 1    2   23   22 o  148.969   51.187 -47.3905   83.464 -60.3925  165.933 -42.9867   96.570  161.671   79.059  136.266   65.039 25.40532 102.3740 
1 1 1    2   23   23 o  180.992   59.637   72.508  104.688   5.5785  178.320  107.709  129.320  172.503   83.821  189.480   84.856 -16.97612 119.2748 
1 1 1    2   24    0 o  261.648   67.736  190.966   85.495  205.799   91.663   91.739  237.079  285.319   79.410  237.978  109.758 47.34021 135.4723 
1 1 1    2   24    1 o  218.636   65.451   13.559   82.585 -57.1634   92.779  283.393  181.225  140.747   66.148  296.525  112.958 -155.7778 130.9014 
1 1 1    2   24    2 o  212.784   64.838   82.398   91.773   89.722  107.002   62.021  178.485  207.538   84.355  218.030   98.488 -10.49149 129.6752 
1 1 1    2   24    3 o  226.610   66.433   78.660   81.578   33.248   92.222  242.029  174.916  173.952   74.929  279.267  109.724 -105.3147 132.8667 
1 1 1    2   24    4 o  311.690   83.870  296.136  125.943  245.327  144.118  460.327  259.073  287.767  102.212  335.613  133.001 -47.84662 167.7393 
1 1 1    2   24    5 o  235.243   67.487  119.449   73.342  111.299   78.060  180.829  214.215  215.275   75.335  255.212  111.994 -39.93735 134.9740 
1 1 1    2   24    6 o  148.728   50.910 -28.7317   54.479 -16.8620   56.885 -160.2314  189.337  122.084   55.332  175.373   85.474 -53.28898 101.8208 
1 1 1    2   24    7 o  211.580   63.003   89.734   69.907   94.607   74.036   49.672  212.296  202.018   73.083  221.142  102.647 -19.12483 126.0062 
1 1 1    2   24    8 o  288.097   70.260  246.006   92.222  249.965  104.099  231.563  198.814  308.114   84.186  268.080  112.511 40.03412 140.5207 
1 1 1    2   24    9 o  284.703   73.302  215.508   91.994  175.423  104.296  355.991  195.249  254.324   87.187  315.082  117.861 -60.75795 146.6040 
1 1 1    2   24   10 o  217.337   61.402  115.428   84.938  161.847   98.152 -22.9955  169.495  245.522   84.557  189.152   89.057 56.36977 122.8046 
1 1 1    2   24   11 o  199.207   63.189   43.937   84.155   16.590   94.817  145.433  182.663  164.798   73.311  233.616  102.941 -68.81741 126.3777 
1 1 1    2   24   12 o  166.427   55.958 -39.8154   90.102 -35.2978  105.945 -51.6237  171.285  152.645   71.402  180.208   86.180 -27.56279 111.9163 
1 1 1    2   24   13 o  249.936   72.580  215.459  114.735  231.851  140.679  182.895  198.284  263.738   99.749  236.133  105.460 27.60435 145.1607 
1 1 1    2   24   14 o  185.896   62.331 -15.4741  115.717  128.003  188.745 -101.8813  146.474  216.129   99.035  155.663   75.714 60.46552 124.6617 
1 1 1    2   24   15 o  188.738   59.891   69.703   90.692   55.356  119.882   88.902  138.679  181.235   81.394  196.240   87.879 -15.00481 119.7822 
1 1 1    2   24   16 o  228.816   67.342  161.970   99.928   71.091  127.888  304.441  160.125  186.039   83.763  271.593  105.468 -85.55383 134.6846 
1 1 1    2   24   17 o  246.414   69.276  180.484  106.121   28.144  133.691  439.973  174.484  173.254   80.764  319.575  112.577 -146.3217 138.5513 
1 1 1    2   24   18 f  220.891   67.684  175.798  108.537  114.965  148.064  246.452  159.571  199.290   89.892  242.492  101.214 -43.20178 135.3689 
1 1 1    2   24   19 o  166.343   55.502   8.0009   93.278  -6.1562  147.042   17.534  120.665  167.684   80.095  165.003   76.855 2.681137 111.0043 
1 1 1    2   24   20 o  170.093   54.883   13.485   91.817 -187.1595  152.760  126.969  114.885  139.253   69.463  200.933   84.991 -61.68045 109.7659 
1 1 1    2   24   21 o  173.004   57.465   20.568   93.152  147.035  156.211 -49.2194  116.042  202.163   91.654  143.846   69.342 58.31723 114.9292 
1 1 1    2   25    0 o  212.832   62.938   95.900   78.230   96.018   88.098   95.464  170.115  204.157   78.522  221.506   98.383 -17.34904 125.8766 
1 1 1    2   25    1 o  350.323  124.603  459.510  214.250   0.0000   0.0000  459.510  214.250  ?   ?   350.323  124.603      ?      ? 
1 1 1    2   25    2 o  250.533   66.745  174.289   87.317  186.371  142.454  167.018  110.512  253.553   99.197  247.514   89.328 6.039719 133.4893 
1 1 1    2   25    3 o  226.139   62.252  122.376   78.471  180.350  123.382   82.997  101.688  252.646   93.852  199.632   81.811 53.01414 124.5036 
1 1 1    2   25    4 o  337.964  121.910  426.137  205.796   0.0000   0.0000  426.137  205.796  ?   ?   337.964  121.910      ?      ? 
1 1 1    2   25    5 o  178.111   56.612   22.337   66.787   11.822   74.454   65.650  151.113  150.322   65.994  205.900   92.003 -55.57744 113.2244 
1 1 1    2   25    6 o  231.552   61.937  149.493   89.883  208.400   99.489 -112.1278  209.665  276.709   84.430  186.396   90.645 90.31281 123.8747 
1 1 1    2   25    7 o  218.218   66.536   76.837   76.144   47.042   82.497  248.230  197.861  171.829   72.314  264.607  111.709 -92.77863 133.0723 
1 1 1    2   25    8 o  190.712   60.507   47.571   76.227   38.935   84.278   86.406  178.719  167.782   71.937  213.643   97.312 -45.86104 121.0143 
1 1 1    2   25    9 o  179.628   57.919   30.608   79.148   36.254   89.206   9.7207  171.585  167.917   73.007  191.339   89.936 -23.42262 115.8380 
1 1 1    2   25   10 o  151.878   50.811 -27.7720   72.202   1.7086   80.596 -147.5858  162.480  146.853   66.273  156.904   77.038 -10.05142 101.6215 
1 1 1    2   25   11 o  248.387   71.024  212.328  101.395  202.844  116.073  242.875  208.309  252.482   91.482  244.291  108.669 8.190720 142.0489 
1 1 1    2   25   12 o  250.874   71.109  234.222  105.098  233.876  123.907  235.108  198.419  262.857   94.623  238.890  106.172 23.96761 142.2181 
1 1 1    2   25   13 o  188.861   57.124   80.511   83.163  139.748   97.987 -72.0464  157.249  215.899   82.865  161.824   78.650 54.07559 114.2474 
1 1 1    2   25   14 o  223.238   69.324  181.506  117.984  257.063  169.932  111.185  163.938  245.474  103.572  201.001   92.175 44.47221 138.6485 
1 1 1    2   25   15 o  169.138   55.067   30.326   84.219   53.419  107.813  -5.8254  134.894  173.395   77.578  164.881   78.173 8.513992 110.1337 
1 1 1    2   25   16 o  193.417   61.405   98.785   96.036   98.212  127.548   99.534  145.933  192.406   85.337  194.428   88.317 -2.021698 122.8099 
1 1 1    2   25   17 o  163.320   76.224   13.322  119.641   13.322  119.641   0.0000   0.0000  163.320   76.224  ?   ?       ?      ? 
1 1 1    2   25   18 o  165.814   77.283   23.472  122.330   23.472  122.330   0.0000   0.0000  165.814   77.283  ?   ?       ?      ? 
1 1 1    2   25   19 o  144.192   70.553 -85.8774  132.722 -85.8774  132.722   0.0000   0.0000  144.192   70.553  ?   ?       ?      ? 
1 1 1    2   26    0 o  246.497   88.064  176.779  107.132  176.779  107.132   0.0000   0.0000  246.497   88.064  ?   ?       ?      ? 
1 1 1    2   26    2 o  300.171   89.801  264.129  113.366  264.129  113.366   0.0000   0.0000  300.171   89.801  ?   ?       ?      ? 
1 1 1    2   26    3 o  174.709   56.572 -13.3449   86.009 -90.8868  110.442  106.159  137.106  140.050   67.546  209.368   90.769 -69.31792 113.1435 
1 1 1    2   26    4 o  177.762   72.052   66.682   77.822   66.682   77.822   0.0000   0.0000  177.762   72.052  ?   ?       ?      ? 
1 1 1    2   26    5 o  108.038   53.915 -185.8111   92.437 -185.8111   92.437   0.0000   0.0000  108.038   53.915  ?   ?       ?      ? 
1 1 1    2   26    6 o  ?   ?  -278.5375   77.500 -278.5375   77.500   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1    2   26    7 o  344.079   94.875  370.887  131.509  370.887  131.509   0.0000   0.0000  344.079   94.875  ?   ?       ?      ? 
1 1 1    2   26    8 o  437.151  103.672  629.251  174.178  629.251  174.178   0.0000   0.0000  437.151  103.672  ?   ?       ?      ? 
1 1 1    2   26    9 o  178.783   78.607   61.955  105.981   61.955  105.981   0.0000   0.0000  178.783   78.607  ?   ?       ?      ? 
1 1 1    2   26   10 o   99.119   48.476 -87.9759   62.439 -87.9759   62.439   0.0000   0.0000   99.119   48.476  ?   ?       ?      ? 
1 1 1    2   26   11 o  161.908   70.757   42.602   84.729   42.602   84.729   0.0000   0.0000  161.908   70.757  ?   ?       ?      ? 
1 1 1    2   26   12 o  156.513   70.153   27.220   88.590   27.220   88.590   0.0000   0.0000  156.513   70.153  ?   ?       ?      ? 
1 1 1    2   26   13 f  188.116   79.931   93.003  102.366   93.003  102.366   0.0000   0.0000  188.116   79.931  ?   ?       ?      ? 
1 1 1    2   26   14 o  164.164   78.963 -26.4718  148.536 -26.4718  148.536   0.0000   0.0000  164.164   78.963  ?   ?       ?      ? 
1 1 1    2   26   15 o  142.371   48.799 -65.5749   78.008 -88.5711   96.288 -21.6554  133.068  125.728   61.207  159.015   76.021 -33.28754 97.59877 
1 1 1    2   26   16 o  190.081   59.603   99.268   90.723  141.083  119.085   41.430  140.054  205.653   86.733  174.509   81.777 31.14316 119.2066 
1 1 1    2   26   17 o  143.565   49.836 -94.7516   89.404  -5.2103  145.937 -148.5449  113.115  163.575   78.574  123.555   61.324 40.02016 99.67180 
1 1 1    2   27    0 o  319.451  132.482  651.957  270.900   0.0000   0.0000  651.957  270.900  ?   ?   319.451  132.482      ?      ? 
1 1 1    2   27    1 o  232.548   71.488  172.406  126.073  375.136  192.460   20.030  166.855  282.700  113.756  182.396   86.612 100.3031 142.9758 
1 1 1    2   27    2 o  256.946   73.082  264.047  111.164  289.157  176.438  247.519  143.150  258.042  106.957  255.850   99.620 2.192078 146.1642 
1 1 1    2   27    3 o  226.292   62.613  175.063   88.086  209.645  100.654   61.939  182.045  259.339   85.620  193.245   91.382 66.09436 125.2259 
1 1 1    2   27    4 o  177.818   55.075   64.030   73.513   93.653   82.672 -47.8795  160.686  189.079   75.068  166.557   80.609 22.52191 110.1497 
1 1 1    2   27    5 o  203.095   60.367  122.591   82.973  145.774   96.034   54.322  164.796  218.565   82.475  187.625   88.173 30.93942 120.7342 
1 1 1    2   27    6 o  148.521   66.639   16.863   80.154   16.863   80.154   0.0000   0.0000  148.521   66.639  ?   ?       ?      ? 
1 1 1    2   27    7 o  244.328   67.478  224.659   94.593  232.865  113.773  206.286  170.237  261.871   90.989  226.786   99.671 35.08469 134.9566 
1 1 1    2   27    8 o  118.271   41.234 -103.3204   60.560 -100.9155   72.279 -108.9857  110.937  104.985   51.513  131.557   64.399 -26.57162 82.46712 
1 1 1    2   27    9 o  141.809   47.518 -43.9069   68.599 -90.5035   89.185   23.600  107.346  120.979   58.897  162.639   74.584 -41.65916 95.03523 
1 1 1    2   27   10 o  204.409   61.154  129.747   83.227  134.786  101.590  119.463  145.132  208.677   83.099  200.140   89.744 8.536545 122.3088 
1 1 1    2   27   11 f  185.354   58.534   75.706   79.516   55.666   94.183  125.439  148.371  169.432   74.308  201.275   90.461 -31.84401 117.0674 
1 1 1    2   27   12 o  160.482   55.148 -57.8451  110.540 -130.4626  163.145   3.7856  150.298  151.213   74.802  169.752   81.054 -18.53896 110.2954 
1 1 1    2   27   13 o  183.874   62.142   52.826  121.734   85.604  201.137   33.879  152.922  192.132   92.279  175.617   83.254 16.51488 124.2846 
1 1 1    2   27   14 o  154.127   53.169 -67.5016  106.271 -206.0803  185.066   0.6731  129.805  147.679   74.076  160.575   76.292 -12.89629 106.3372 
1 1 1    2   27   15 o  191.126   87.485  116.813  146.746  116.813  146.746   0.0000   0.0000  191.126   87.485  ?   ?       ?      ? 
1 1 1    2   28    0 o  261.996   76.100  298.302  118.080  252.394  140.164  410.538  219.157  254.013   98.666  269.980  115.886 -15.96689 152.1993 
1 1 1    2   28    1 o  264.366   81.137  357.914  156.010  194.736  202.378  596.912  244.923  218.303  100.937  310.429  127.063 -92.12650 162.2750 
1 1 1    2   28    2 o  249.782   78.512  325.350  150.037  271.398  190.182  414.271  244.157  240.325  105.491  259.240  116.312 -18.91551 157.0249 
1 1 1    2   28    3 o  158.746   55.527 -83.0226  102.500 -102.5150  116.826 -17.8448  213.627  135.891   66.428  181.601   88.996 -45.71069 111.0536 
1 1 1    2   28    4 f  171.497   58.991 -37.0652  102.579 -94.0750  118.616  132.041  204.291  138.381   67.491  204.613   96.773 -66.23177 117.9826 
1 1 1    2   28    5 o  190.944   63.880   49.775  111.777 -17.5868  132.608  215.098  207.744  160.544   76.512  221.344  102.316 -60.80006 127.7604 
1 1 1    2   28    6 o  172.048   79.703   36.373  127.080   36.373  127.080   0.0000   0.0000  172.048   79.703  ?   ?       ?      ? 
1 1 1    2   28    7 o  153.734   53.470 -97.8973  107.707 -123.4808  137.449 -57.1937  173.371  141.945   69.921  165.524   80.916 -23.57838 106.9406 
1 1 1    2   28    8 o  171.418   58.905 -19.9831  123.864 -23.6803  189.036 -17.2015  163.966  173.838   84.875  168.999   81.703 4.838959 117.8096 
1 1 1    2   28    9 o  155.470   52.488  -8.4612   75.063 -16.0366   85.048   18.240  159.669  137.148   64.095  173.793   83.138 -36.64517 104.9765 
1 1 1    2   28   10 o  137.174   47.035 -42.3737   65.326 -36.0169   73.433 -66.4887  143.026  122.324   57.904  152.024   74.137 -29.69965 94.06983 
1 1 1    2   28   11 o  153.117   54.040 -127.8610  120.151 -96.0811  213.241 -142.6434  145.434  166.107   82.732  140.128   69.547 25.97813 108.0803 
1 1 1    2   29    0 o  186.312   63.131   25.729   99.149 -38.1026  110.689  284.875  223.027  144.557   69.170  228.066  105.630 -83.50900 126.2629 
1 1 1    2   29    1 o  206.287   68.365  146.301  124.570  103.965  143.735  274.066  249.695  191.316   87.191  221.258  105.321 -29.94154 136.7293 
1 1 1    2   29    2 o  173.005   57.619   42.393   92.440   70.822   98.601 -163.9954  265.675  174.593   76.314  171.417   86.348 3.175858 115.2383 
1 1 1    2   29    3 o  195.045   68.036   62.414  148.368 -17.4531  167.131  359.413  322.293  167.846   81.463  222.244  108.994 -54.39888 136.0730 
1 1 1    2   29    4 o  238.135   68.740  276.324  127.604  337.665  139.099 -49.4736  320.571  290.649  100.629  185.621   93.673 105.0276 137.4800 
1 1 1    2   29    5 o  221.744   67.986  227.964  126.572  276.064  137.884 -29.6400  319.089  257.482   98.423  186.006   93.815 71.47560 135.9718 
1 1 1    2   29    6 o  184.576   61.780   81.261  105.143   87.945  113.315   39.871  281.978  181.333   80.430  187.820   93.798 -6.486496 123.5594 
1 1 1    2   29    7 o  227.584   67.142  240.741  130.967  359.206  148.618 -171.0066  277.072  286.147  103.541  169.020   85.506 117.1267 134.2832 
1 1 1    3    0    0 o  573.659   18.851  647.519   59.386  647.519   59.386  647.519   59.386  573.659   26.659  573.659   26.659 -0.000000 0.000000 
1 1 1    3    0    1 o  278.790   23.479  158.435   34.772  158.435   34.772  158.435   34.772  278.790   33.204  278.790   33.204 0.000000 0.000000 
1 1 1    3    0    2 o  199.602   15.890   80.755   16.933   80.755   16.933   80.755   16.933  199.602   22.471  199.602   22.471 0.000000 0.000000 
1 1 1    3    0    3 o  522.505   51.099  569.637  139.311  569.637  139.311  569.637  139.311  522.505   72.265  522.505   72.265 0.000000 0.000000 
1 1 1    3    0    4 o  762.272   30.659  1150.96  128.024  1150.96  128.024  1150.96  128.024  762.272   43.359  762.272   43.359 0.000000 0.000000 
1 1 1    3    0    5 o  856.300   22.975  1441.54  108.221  1441.54  108.221  1441.54  108.221  856.300   32.492  856.300   32.492 0.000000 0.000000 
1 1 1    3    0    6 o  930.877   34.472  1717.69  175.987  1717.69  175.987  1717.69  175.987  930.877   48.751  930.877   48.751 0.000000 0.000000 
1 1 1    3    0    7 o  559.723   18.725  616.896   57.546  616.896   57.546  616.896   57.546  559.723   26.481  559.723   26.481 0.000000 0.000000 
1 1 1    3    0    8 o   94.529   20.821   21.877   9.5209   21.877   9.5209   21.877   9.5209   94.529   29.445   94.529   29.445 -0.000000 0.000000 
1 1 1    3    0    9 o   60.156   19.863   10.354   7.3532   10.354   7.3532   10.354   7.3532   60.156   28.091   60.156   28.091 0.000000 0.000000 
1 1 1    3    0   10 o  381.129   24.556  292.182   50.666  292.182   50.666  292.182   50.666  381.129   34.728  381.129   34.728 -0.000000 0.000000 
1 1 1    3    0   11 o  1495.32   34.502  4445.16  284.042  4445.16  284.042  4445.16  284.042  1495.32   48.794  1495.32   48.794 0.000000 0.000000 
1 1 1    3    0   12 o  182.614   17.430   68.832   16.666   68.832   16.666   68.832   16.666  182.614   24.650  182.614   24.650 0.000000 0.000000 
1 1 1    3    0   14 o  839.739   22.861  1394.42  105.591  1394.42  105.591  1394.42  105.591  839.739   32.331  839.739   32.331 0.000000 0.000000 
1 1 1    3    0   15 o  304.579   16.711  184.974   27.701  184.974   27.701  184.974   27.701  304.579   23.633  304.579   23.633 0.000000 0.000000 
1 1 1    3    0   16 o  543.323   18.751  582.613   55.921  582.613   55.921  582.613   55.921  543.323   26.518  543.323   26.518 -0.000000 0.000000 
1 1 1    3    0   17 o  332.534   17.073  219.843   30.953  219.843   30.953  219.843   30.953  332.534   24.145  332.534   24.145 0.000000 0.000000 
1 1 1    3    0   18 o  496.451   25.929  491.968   70.151  491.968   70.151  491.968   70.151  496.451   36.670  496.451   36.670 0.000000 0.000000 
1 1 1    3    0   19 o  897.138   33.881  1601.61  166.659  1601.61  166.659  1601.61  166.659  897.138   47.916  897.138   47.916 -0.000000 0.000000 
1 1 1    3    0   20 o  684.262   20.677  922.532   77.757  922.532   77.757  922.532   77.757  684.262   29.241  684.262   29.241 0.000000 0.000000 
1 1 1    3    0   21 o  250.812   18.693  127.233   25.217  127.233   25.217  127.233   25.217  250.812   26.436  250.812   26.436 0.000000 0.000000 
1 1 1    3    0   22 o  492.532   18.532  479.232   50.047  479.232   50.047  479.232   50.047  492.532   26.208  492.532   26.208 0.000000 0.000000 
1 1 1    3    0   23 o  315.570   18.011  198.842   30.898  198.842   30.898  198.842   30.898  315.570   25.472  315.570   25.472 -0.000000 0.000000 
1 1 1    3    0   24 o  313.616   19.203  197.098   32.663  197.098   32.663  197.098   32.663  313.616   27.157  313.616   27.157 0.000000 0.000000 
1 1 1    3    0   25 o  1234.39   42.702  3074.03  289.316  3074.03  289.316  3074.03  289.316  1234.39   60.390  1234.39   60.390 -0.000000 0.000000 
1 1 1    3    0   26 o  244.437   41.921  137.980   49.012  137.980   49.012  137.980   49.012  244.437   59.285  244.437   59.285 -0.000000 0.000000 
1 1 1    3    0   27 o  741.412   21.998  1089.64   89.650  1089.64   89.650  1089.64   89.650  741.412   31.110  741.412   31.110 -0.000000 0.000000 
1 1 1    3    0   28 o  700.455   21.611  974.996   83.181  974.996   83.181  974.996   83.181  700.455   30.563  700.455   30.563 0.000000 0.000000 
1 1 1    3    0   29 o   60.252   25.177   8.2921   14.389   8.2921   14.389   8.2921   14.389   60.252   35.606   60.252   35.606 0.000000 0.000000 
1 1 1    3    0   30 o  113.129   32.876   35.980   20.294   35.980   20.294   35.980   20.294  113.129   46.494  113.129   46.494 0.000000 0.000000 
1 1 1    3    0   31 o  370.459   25.549  282.307   51.095  282.307   51.095  282.307   51.095  370.459   36.132  370.459   36.132 -0.000000 0.000000 
1 1 1    3    0   32 o  178.702   28.759   72.982   24.721   72.982   24.721   72.982   24.721  178.702   40.671  178.702   40.671 0.000000 0.000000 
1 1 1    3    0   33 o  736.019   23.517  1095.36   95.080  1095.36   95.080  1095.36   95.080  736.019   33.257  736.019   33.257 0.000000 0.000000 
1 1 1    3    0   34 f  332.101   22.530  227.851   40.421  227.851   40.421  227.851   40.421  332.101   31.863  332.101   31.863 -0.000000 0.000000 
1 1 1    3    0   35 o  156.536   33.299   61.931   25.076   61.931   25.076   61.931   25.076  156.536   47.093  156.536   47.093 -0.000000 0.000000 
1 1 1    3    0   36 o  238.877   26.977  124.505   32.845  124.505   32.845  124.505   32.845  238.877   38.151  238.877   38.151 0.000000 0.000000 
1 1 1    3    0   37 o  181.700   67.116  132.694   88.190  132.694   88.190  132.694   88.190  181.700   94.917  181.700   94.917 -0.000000 0.000000 
1 1 1    3    1    0 o  122.498   15.437   29.852   7.2198   31.639   10.249   28.092   10.172  127.187   20.649  117.808   22.952 9.379486 30.87340 
1 1 1    3    1    1 o  642.669   61.423  897.611   98.989  916.340  106.822  783.774  263.358  682.220   40.124  603.117  116.109 79.10309 122.8464 
1 1 1    3    1    2 o  226.803   21.014  100.097   18.526  110.438   27.712   91.741   24.910  237.305   29.925  216.302   29.511 21.00285 42.02882 
1 1 1    3    1    3 o  637.128   75.549  835.653  180.493  640.203  238.214  1099.11  276.570  543.334  115.884  730.923   96.962 -187.5891 151.0988 
1 1 1    3    1    4 o  427.517   64.451  385.791  104.319  334.422  144.141  442.289  151.167  396.097   94.560  458.937   87.602 -62.83969 128.9018 
1 1 1    3    1    5 o  965.365   83.798  2256.60  213.662  2412.33  237.034  1581.67  493.460  1101.49   55.144  829.237  158.264 272.2579 167.5956 
1 1 1    3    1    6 o  252.424   21.953  125.165   21.397  102.263   29.592  150.257   30.974  228.099   33.244  276.748   28.680 -48.64880 43.90619 
1 1 1    3    1    7 o  633.933   19.666  788.349   48.643  807.076   69.290  770.153   68.303  641.370   27.684  626.496   27.938 14.87445 39.33105 
1 1 1    3    1    8 o  393.516   16.708  301.988   25.567  339.970   37.530  269.097   34.925  416.529   23.089  370.504   24.155 46.02524 33.41518 
1 1 1    3    1    9 o  379.754   16.467  282.287   24.354  308.633   35.187  258.061   33.741  396.777   22.725  362.731   23.836 34.04581 32.93324 
1 1 1    3    1   10 o  227.275   23.907  104.378   20.158  133.487   29.016   77.222   28.026  260.412   28.553  194.139   38.353 66.27321 47.81448 
1 1 1    3    1   11 o  883.604   23.563  1546.04   81.238  1534.14  113.823  1558.40  115.983  880.210   33.137  886.998   33.507 -6.788025 47.12530 
1 1 1    3    1   12 o  485.271   17.882  464.372   33.862  470.183   48.001  458.616   47.775  488.313   25.190  482.229   25.387 6.083313 35.76344 
1 1 1    3    1   13 o  637.159   40.201  815.615   99.957   0.0000   0.0000  815.615   99.957  ?   ?   637.159   40.201      ?      ? 
1 1 1    3    1   14 o  338.695   20.958  231.687   25.844  240.487   31.695  214.230   44.642  349.452   23.242  327.938   34.883 21.51340 41.91682 
1 1 1    3    1   15 o  333.674   16.591  218.796   21.595  211.295   30.073  226.782   31.030  327.769   23.511  339.579   23.416 -11.81055 33.18258 
1 1 1    3    1   16 o  613.833   19.513  742.106   46.738  736.664   65.660  747.696   66.545  611.569   27.512  616.097   27.678 -4.527466 39.02554 
1 1 1    3    1   17 o  1205.67   29.117  2889.94  136.994  2880.07  193.051  2899.96  194.436  1203.64   41.100  1207.70   41.256 -4.063232 58.23433 
1 1 1    3    1   18 o  377.287   20.433  277.346   28.547  271.492   35.035  288.910   49.241  371.906   24.140  382.668   32.974 -10.76193 40.86634 
1 1 1    3    1   19 o  914.019   29.559  1654.53   99.203  1670.44  172.593  1646.68  121.229  914.643   48.355  913.395   34.011 1.247681 59.11789 
1 1 1    3    1   20 o  406.997   17.669  325.429   28.046  337.824   39.604  312.961   39.721  414.828   24.465  399.167   25.500 15.66144 35.33807 
1 1 1    3    1   21 o  162.916   19.981   52.935   12.422   48.794   17.178   57.473   17.985  154.888   29.497  170.945   26.961 -16.05690 39.96210 
1 1 1    3    1   22 o  1168.97   28.614  2717.30  130.516  2692.72  182.849  2742.83  186.356  1163.69   40.264  1174.25   40.668 -10.55652 57.22840 
1 1 1    3    1   23 o  560.664   19.352  619.091   42.331  619.717   59.224  618.436   60.528  561.014   27.052  560.314   27.682 0.6995239 38.70480 
1 1 1    3    1   24 o  470.262   18.713  435.287   34.315  430.136   47.481  440.919   49.648  467.421   26.030  473.102   26.891 -5.680969 37.42628 
1 1 1    3    1   25 o  615.979   25.183  776.001   58.148  662.916   92.059  851.068   75.005  575.709   40.976  656.249   29.288 -80.53973 50.36679 
1 1 1    3    1   26 o  563.896   30.150  637.364   65.858  614.139   87.337  667.978  100.272  552.934   40.476  574.859   44.698 -21.92413 60.30066 
1 1 1    3    1   27 o  1089.23   27.873  2394.63  118.442  2371.91  165.222  2418.64  169.878  1084.26   39.049  1094.20   39.784 -9.944214 55.74550 
1 1 1    3    1   28 o  169.335   22.780   58.591   14.722   51.633   20.624   65.820   21.022  157.207   34.559  181.463   29.687 -24.25638 45.55935 
1 1 1    3    1   29 o  235.572   21.322  112.307   19.462  123.762   27.060  100.032   28.012  248.602   27.893  222.542   32.256 26.06009 42.64317 
1 1 1    3    1   30 o  121.385   25.822   30.627   13.419   24.047   19.269   36.824   18.699  110.871   37.478  131.898   35.532 -21.02650 51.64408 
1 1 1    3    1   31 o  429.925   23.568  383.536   38.567  342.449   59.421  413.443   50.697  407.239   37.390  452.612   28.703 -45.37317 47.13694 
1 1 1    3    1   32 o  295.470   22.542  178.329   25.988  175.600   36.374  181.176   37.143  293.198   31.791  297.742   31.967 -4.544159 45.08389 
1 1 1    3    1   33 o  505.265   21.910  524.085   43.089  575.920   61.941  475.479   59.981  530.305   29.931  480.224   32.006 50.08075 43.82090 
1 1 1    3    1   34 o  111.699   26.307   26.053   13.506   21.308   20.848   29.486   17.730  106.204   38.726  117.193   35.616 -10.98924 52.61350 
1 1 1    3    1   35 o  513.665   22.237  549.428   44.537  581.597   64.135  519.467   61.894  528.537   31.095  498.793   31.798 29.74341 44.47454 
1 1 1    3    1   36 o  268.447   23.168  150.757   24.190  168.706   35.488  135.180   33.061  283.714   32.053  253.180   33.462 30.53441 46.33684 
1 1 1    3    1   37 o  382.818   45.281  352.833   63.176  561.470  103.100  227.392   79.943  482.293   54.779  283.343   72.117 198.9506 90.56258 
1 1 1    3    2    0 o  533.659   24.349  558.900   50.682  581.607   72.940  537.702   70.473  544.138   34.350  523.180   34.518 20.95856 48.69705 
1 1 1    3    2    1 o  809.529   91.278  1400.58  288.354  1392.99  407.147  1408.22  408.443  807.241  129.246  811.817  128.926 -4.575623 182.5554 
1 1 1    3    2    2 o  178.898   41.755   60.807   33.937   54.017   47.779   67.720   48.212  171.897   59.007  185.899   59.094 -14.00204 83.50985 
1 1 1    3    2    3 o  477.241   69.095  484.068  124.348  503.058  177.136  465.618  174.600  487.074   96.604  467.407   98.814 19.66724 138.1898 
1 1 1    3    2    4 o  944.219   85.221  1882.29  295.665  1926.67  511.688  1860.05  362.263  939.398  139.580  949.040   97.815 -9.641602 170.4419 
1 1 1    3    2    5 o  808.586   95.050  1434.21  293.526  1528.35  423.079  1346.83  407.573  841.411  128.849  775.763  139.772 65.64801 190.1009 
1 1 1    3    2    6 o  467.744   65.350  456.974  116.920  539.445  170.991  384.554  160.232  513.177   85.383  422.312   98.956 90.86462 130.7003 
1 1 1    3    2    7 o  651.877   61.448  958.926   78.722  974.259   82.325  795.201  269.016  704.271   29.954  599.483  119.190 104.7875 122.8961 
1 1 1    3    2    8 f  1025.15   80.380  2099.54  144.667  2079.21  148.706  2458.56  624.949  1026.46   37.124  1023.85  156.415 2.610901 160.7598 
1 1 1    3    2    9 o  704.554   20.808  974.588   57.154  1024.13   83.076  930.069   78.752  721.505   29.505  687.604   29.349 33.90088 41.61649 
1 1 1    3    2   10 o  584.783   18.992  669.491   43.238  725.660   63.795  621.766   58.804  607.351   26.916  562.214   26.802 45.13690 37.98487 
1 1 1    3    2   11 o  834.161   22.823  1371.61   74.105  1467.27  109.707  1291.33  100.498  860.641   32.665  807.682   31.885 52.95941 45.64686 
1 1 1    3    2   12 o  369.346   20.458  270.734   27.944  267.687   47.686  272.328   34.485  366.905   33.304  371.786   23.769 -4.880615 40.91617 
1 1 1    3    2   13 o  666.940   29.066  893.962   75.612  924.909  108.951  865.207  105.021  678.030   41.177  655.850   41.033 22.17969 58.13146 
1 1 1    3    2   14 o  828.815   22.737  1363.21   73.527  1349.32  102.889  1377.72  105.113  824.577   31.975  833.052   32.333 -8.474609 45.47334 
1 1 1    3    2   15 o  570.479   18.977  641.225   42.240  657.911   60.303  625.152   59.185  577.783   26.745  563.176   26.930 14.60675 37.95432 
1 1 1    3    2   16 o  627.583   19.733  775.635   48.321  791.875   68.906  759.920   67.780  634.058   27.848  621.109   27.964 12.94916 39.46535 
1 1 1    3    2   17 o  709.849   25.521  995.658   66.640  992.480   81.600  1002.02  115.471  709.822   29.458  709.876   41.683 -0.5328369E-01 51.04174 
1 1 1    3    2   18 o  733.233   30.032  1067.93   85.914  1084.83  123.145  1051.90  119.919  738.809   42.712  727.656   42.231 11.15332 60.06492 
1 1 1    3    2   19 o  676.455   29.262  900.489   77.246   0.0000   0.0000  900.489   77.246  ?   ?   676.455   29.262      ?      ? 
1 1 1    3    2   20 o  1032.16   26.122  2107.32  105.188  2082.96  146.794  2133.03  150.805  1026.14   36.658  1038.18   37.223 -12.03992 52.24344 
1 1 1    3    2   21 o  342.499   17.912  229.353   23.849  218.027   32.078  243.352   35.662  333.154   24.673  351.844   25.973 -18.69003 35.82401 
1 1 1    3    2   22 o  439.818   18.287  380.943   31.344  397.904   43.924  363.345   44.741  449.917   25.017  429.718   26.680 20.19901 36.57441 
1 1 1    3    2   23 o  999.823   25.790  1982.25  100.582  1957.98  139.889  2008.24  144.725  993.665   36.075  1005.98   36.866 -12.31628 51.58002 
1 1 1    3    2   24 o  777.581   22.357  1186.68   67.488  1113.29   90.035  1280.80  101.957  750.625   30.737  804.537   32.474 -53.91187 44.71368 
1 1 1    3    2   25 o  876.304   34.606  1525.52  118.342   0.0000   0.0000  1525.52  118.342  ?   ?   876.304   34.606      ?      ? 
1 1 1    3    2   26 o  709.986   28.795  983.142   69.856  951.622   80.647  1077.86  139.800  692.734   29.832  727.239   49.260 -34.50500 57.58954 
1 1 1    3    2   27 o  572.648   20.302  650.639   45.236  636.664   61.389  667.242   66.913  566.269   27.780  579.027   29.613 -12.75812 40.60366 
1 1 1    3    2   28 o  487.249   19.884  472.274   37.634  460.583   50.584  486.767   56.321  480.947   26.951  493.552   29.242 -12.60422 39.76768 
1 1 1    3    2   29 o  192.117   22.033   75.424   16.079   84.683   23.034   66.625   22.455  205.440   28.731  178.793   33.412 26.64642 44.06660 
1 1 1    3    2   30 o  538.499   28.222  583.432   59.307  583.432   59.307   0.0000   0.0000  538.499   28.222  ?   ?       ?      ? 
1 1 1    3    2   31 o  259.790   26.425  144.952   25.173  115.021   37.771  168.871   33.765  230.776   43.537  288.805   29.959 -58.02855 52.84933 
1 1 1    3    2   32 o  461.268   21.251  430.683   37.953  416.872   50.290  448.958   57.847  453.719   28.403  468.816   31.619 -15.09756 42.50280 
1 1 1    3    2   33 o  185.601   24.929   73.741   17.344   74.692   25.642   72.939   23.546  186.119   36.609  185.083   33.848 1.035904 49.85892 
1 1 1    3    2   34 o  190.458   26.455   79.421   18.846   77.745   28.284   80.759   25.275  187.260   39.924  193.657   34.720 -6.396759 52.90935 
1 1 1    3    2   35 o  399.539   22.421  333.506   34.919  342.122   48.724  324.408   50.068  405.598   30.783  393.479   32.607 12.11948 44.84216 
1 1 1    3    2   36 o  242.439   24.280  123.634   22.862  133.242   34.436  116.062   30.571  250.285   35.257  234.593   33.393 15.69179 48.56076 
1 1 1    3    2   37 o  411.427   43.966  408.430   65.687  612.556  104.579  275.422   84.417  506.721   52.886  316.133   70.251 190.5878 87.93263 
1 1 1    3    3    0 o  967.456  107.418  2072.48  405.378  2153.76  580.526  1995.12  566.318  986.842  150.745  948.071  153.069 38.77118 214.8354 
1 1 1    3    3    1 o  700.161   84.302  1046.78  225.334  1121.50  324.717  977.370  312.950  730.667  113.882  669.656  124.332 61.01068 168.6042 
1 1 1    3    3    2 f  821.585   92.810  1453.02  297.557  1466.55  421.980  1439.65  419.650  825.545  130.984  817.625  131.523 7.919861 185.6209 
1 1 1    3    3    3 f  312.156   37.551  196.198   44.757  207.501   63.762  185.219   62.840  323.585   50.494  300.726   55.595 22.85898 75.10263 
1 1 1    3    3    4 o  792.393   58.893  1249.76  179.488  1590.05  276.306  1001.33  236.083  884.868   80.016  699.918   86.434 184.9500 117.7859 
1 1 1    3    3    5 o  489.387   57.732  502.408  100.992  518.119  124.866  472.692  171.730  508.593   62.913  470.181   96.819 38.41248 115.4642 
1 1 1    3    3    6 o  353.023   60.214  265.265   82.034  279.921  116.854  251.023  115.192  362.890   84.151  343.156   86.148 19.73346 120.4279 
1 1 1    3    3    7 o  558.083   73.620  666.740  156.863  739.538  227.258  600.496  216.788  593.566   98.111  522.602  109.791 70.96405 147.2407 
1 1 1    3    3    8 o  605.128   76.460  788.115  175.176  968.454  261.940  642.199  235.618  675.685   99.340  534.570  116.257 141.1156 152.9193 
1 1 1    3    3    9 o  637.253   60.333  871.722   72.274  874.252   75.057  839.484  267.894  666.550   28.855  607.957  117.165 58.59308 120.6664 
1 1 1    3    3   10 o  327.694   43.269  244.407   30.112  249.134   31.539  195.724  101.222  356.199   22.690  299.188   83.511 57.01108 86.53886 
1 1 1    3    3   11 o  361.572   32.227  259.177   45.473   0.0000   0.0000  259.177   45.473  ?   ?   361.572   32.227      ?      ? 
1 1 1    3    3   12 o  251.191   16.337  124.400   15.979  134.659   22.703  114.328   22.495  261.550   22.243  240.831   23.935 20.71863 32.67469 
1 1 1    3    3   13 o  172.646   23.786   66.038   14.079   73.860   16.815   47.697   25.748  193.692   22.246  151.601   42.050 42.09158 47.57178 
1 1 1    3    3   14 o  415.957   20.400  321.707   30.843  289.952   36.650  398.776   57.096  383.649   24.480  448.264   32.639 -64.61469 40.79928 
1 1 1    3    3   15 o  159.006   17.771   50.400   10.631   40.275   14.594   61.845   15.516  140.576   27.588  177.435   22.409 -36.85858 35.54203 
1 1 1    3    3   16 o  531.525   18.600  555.846   38.576  562.420   54.361  549.179   54.750  534.732   26.051  528.318   26.556 6.414429 37.20013 
1 1 1    3    3   17 o  340.147   20.009  224.961   25.215  219.194   30.931  236.385   43.537  334.159   23.720  346.135   32.231 -11.97592 40.01858 
1 1 1    3    3   18 o  1189.90   35.722  2821.73  155.379  2868.89  272.892  2799.11  189.008  1192.02   58.665  1187.79   40.776 4.223755 71.44405 
1 1 1    3    3   19 o  1124.27   27.735  2504.20  121.681  2516.83  172.247  2491.62  171.920  1127.12   39.160  1121.41   39.285 5.713745 55.46972 
1 1 1    3    3   20 o  754.934   21.825  1122.63   64.280  1161.44   91.841  1085.36   89.997  767.769   30.653  742.099   31.077 25.67017 43.65056 
1 1 1    3    3   21 o  472.555   19.083  437.436   34.967  423.759   46.580  455.096   52.928  464.304   25.708  480.805   28.209 -16.50052 38.16564 
1 1 1    3    3   22 o  906.633   24.242  1626.54   85.760  1632.80  120.524  1620.12  122.056  908.505   33.995  904.760   34.570 3.745239 48.48407 
1 1 1    3    3   23 o  861.370   23.669  1456.49   79.075  1368.58  105.050  1571.41  120.117  832.017   32.354  890.723   34.556 -58.70685 47.33868 
1 1 1    3    3   24 o  414.882   23.250  333.562   36.754  373.672   60.023  309.501   46.489  433.924   35.447  395.841   30.095 38.08347 46.49922 
1 1 1    3    3   25 o  536.527   29.961  569.521   62.732   0.0000   0.0000  569.521   62.732  ?   ?   536.527   29.961      ?      ? 
1 1 1    3    3   26 o  541.851   30.272  583.728   51.537  577.527   57.709  608.153  114.530  540.225   27.374  543.478   54.001 -3.252258 60.54335 
1 1 1    3    3   27 f  448.216   19.865  399.132   34.469  398.205   45.935  400.328   52.147  448.134   26.267  448.298   29.808 -0.1646423 39.72967 
1 1 1    3    3   28 o  404.822   20.015  328.009   31.331  333.588   41.819  320.872   47.303  409.423   26.174  400.221   30.287 9.201416 40.02972 
1 1 1    3    3   29 o  439.918   22.329  396.122   36.990  413.604   47.234  368.395   59.485  454.795   26.614  425.041   35.863 29.75433 44.65874 
1 1 1    3    3   30 o  496.393   20.480  494.451   39.329  479.851   51.985  513.992   60.141  488.777   27.254  504.009   30.577 -15.23096 40.96085 
1 1 1    3    3   31 o  251.894   25.243  130.138   24.208  132.115   38.767  128.875   30.995  252.044   39.414  251.744   31.550 0.3000641 50.48615 
1 1 1    3    3   32 o  206.791   23.312   88.405   18.192  106.624   26.692   72.602   24.860  228.929   29.878  184.652   35.792 44.27725 46.62325 
1 1 1    3    3   33 o  255.943   24.001  138.031   22.544  183.826   32.852   97.268   30.995  300.231   28.040  211.655   38.961 88.57629 48.00187 
1 1 1    3    3   34 o  444.935   22.642  414.633   39.058  449.480   54.090  376.663   56.460  466.543   29.709  423.327   34.177 43.21640 45.28490 
1 1 1    3    3   35 o  126.371   27.895   32.487   14.473   44.103   25.722   27.105   17.508  140.028   42.966  112.713   35.588 27.31490 55.79092 
1 1 1    3    3   36 o  236.637   45.368  156.666   47.845  214.018   63.548   81.610   72.697  295.488   57.177  177.786   70.454 117.7021 90.73581 
1 1 1    3    4    0 o  1108.20  125.634  2864.70  543.213  2940.79  775.205  2791.29  761.420  1123.54  176.806  1092.86  178.537 30.67651 251.2688 
1 1 1    3    4    1 o  1338.48  170.027  4756.43  869.684  5038.18  1256.65  4497.44  1204.82  1391.09  231.488  1285.87  249.099 105.2198 340.0548 
1 1 1    3    4    2 o  548.387   56.845  585.617  114.424  540.286  137.774  686.406  205.434  518.652   68.070  578.122   91.059 -59.46924 113.6895 
1 1 1    3    4    3 o  201.053   35.353   83.274   27.626   84.351   39.030   82.193   39.107  202.342   49.773  199.764   50.220 2.577805 70.70622 
1 1 1    3    4    4 o  1085.80   78.933  2484.01  333.543  2746.81  489.107  2255.55  456.032  1140.55  109.890  1031.04  113.341 109.5060 157.8668 
1 1 1    3    4    5 o  826.312   85.405  1521.27  250.397  1616.35  312.622  1351.12  418.221  884.389   90.582  768.236  144.813 116.1533 170.8099 
1 1 1    3    4    6 f  334.904   58.235  238.471   75.783  268.523  108.835  210.186  105.585  355.680   80.312  314.129   84.351 41.55118 116.4691 
1 1 1    3    4    7 o  783.999   95.814  1396.14  286.804  1306.17  397.857  1493.47  413.819  749.788  141.154  818.211  129.602 -68.42291 191.6276 
1 1 1    3    4    8 o  367.250   62.125  292.856   87.841  292.601  124.240  293.111  124.211  367.078   87.894  367.422   87.823 -0.3441467 124.2508 
1 1 1    3    4    9 o  569.510   79.980  740.740  171.484  754.272  243.590  727.444  241.454  575.197  112.550  563.822  113.664 11.37506 159.9597 
1 1 1    3    4   10 f  457.007   51.728  423.321   60.589  415.944   65.009  472.101  167.167  457.499   36.413  456.516   96.835 0.9831238 103.4552 
1 1 1    3    4   11 o  1021.99   52.835  2133.31  210.716  2133.31  210.716   0.0000   0.0000  1021.99   52.835  ?   ?       ?      ? 
1 1 1    3    4   12 o  571.478   26.843  645.651   59.864  645.651   59.864   0.0000   0.0000  571.478   26.843  ?   ?       ?      ? 
1 1 1    3    4   13 o  308.737   41.975  192.086   27.431  190.434   28.581  211.383   97.665  310.904   23.557  306.571   80.577 4.332367 83.94993 
1 1 1    3    4   14 o  357.513   44.010  250.534   31.971  247.362   33.233  289.913  117.098  354.538   24.020  360.489   84.679 -5.950287 88.01970 
1 1 1    3    4   15 o  166.357   24.510   54.414   15.912   54.414   15.912   0.0000   0.0000  166.357   24.510  ?   ?       ?      ? 
1 1 1    3    4   16 o  569.201   23.170  653.865   49.212  693.297   62.317  588.528   80.217  593.628   26.901  544.774   37.733 48.85425 46.33999 
1 1 1    3    4   17 o  958.419   24.833  1815.50   92.874  1814.32  130.754  1816.69  131.941  958.157   34.969  958.680   35.268 -0.5223389 49.66540 
1 1 1    3    4   18 o  993.333   31.501  1928.12  112.743  2056.58  205.854  1873.07  134.749  1013.00   52.074  973.667   35.464 39.33148 63.00269 
1 1 1    3    4   19 o  590.377   19.568  683.412   45.005  741.669   65.462  631.196   61.975  614.228   27.310  566.526   28.033 47.70178 39.13682 
1 1 1    3    4   20 o  715.457   21.404  1008.66   59.723  1013.06   83.141  1003.97   85.847  717.195   29.706  713.718   30.822 3.476990 42.80752 
1 1 1    3    4   21 o  431.615   18.625  364.619   31.239  348.389   41.948  384.825   46.807  420.986   25.534  442.243   27.121 -21.25708 37.24975 
1 1 1    3    4   22 o  806.454   33.078  1285.89  104.102   0.0000   0.0000  1285.89  104.102  ?   ?   806.454   33.078      ?      ? 
1 1 1    3    4   23 o  964.341   36.654  1845.72  137.939   0.0000   0.0000  1845.72  137.939  ?   ?   964.341   36.654      ?      ? 
1 1 1    3    4   24 o  845.703   28.984  1443.52   93.143  1354.99  146.975  1502.93  120.409  821.366   45.854  870.041   35.464 -48.67419 57.96767 
1 1 1    3    4   25 o  780.330   31.480  1107.47   77.442  1032.39   85.746  1439.73  180.379  722.013   30.433  838.647   55.116 -116.6342 62.95926 
1 1 1    3    4   26 o  189.876   44.559   62.980   21.307   63.135   21.783   59.545  102.512  175.278   33.059  204.475   82.760 -29.19737 89.11875 
1 1 1    3    4   27 o  458.187   20.600  407.023   35.921  371.263   45.245  467.990   59.078  432.407   26.813  483.967   31.281 -51.55994 41.19990 
1 1 1    3    4   28 o  898.412   25.588  1634.09   89.269  1604.26  120.005  1671.06  133.572  890.792   34.522  906.032   37.778 -15.23975 51.17549 
1 1 1    3    4   29 o  596.505   24.471  720.831   54.145  713.224   66.855  735.331   92.305  595.776   28.755  597.234   39.605 -1.458130 48.94297 
1 1 1    3    4   30 o  260.466   27.878  147.341   26.170  121.113   41.547  164.592   33.695  235.691   46.822  285.239   30.271 -49.54793 55.75518 
1 1 1    3    4   31 o  206.255   25.603   73.948   18.610  137.271   36.050   50.942   21.730  258.212   35.777  154.298   36.634 103.9131 51.20597 
1 1 1    3    4   32 o  290.849   21.949  172.767   24.866  171.139   34.079  174.621   36.362  289.760   30.139  291.937   31.917 -2.176453 43.89815 
1 1 1    3    4   33 o  266.991   23.042  147.626   23.957  135.182   33.286  161.000   34.507  254.902   33.462  279.079   31.685 -24.17703 46.08300 
1 1 1    3    4   34 f  229.252   24.162  110.552   21.504  110.783   32.036  110.362   29.011  228.601   35.911  229.903   32.336 -1.302017 48.32448 
1 1 1    3    4   35 o  180.153   28.524   75.052   20.198   49.115   30.360   95.648   27.054  146.619   46.924  213.686   32.443 -67.06732 57.04804 
1 1 1    3    4   36 o  317.562   45.712  296.094   58.228  415.478   76.270  129.294   90.153  429.750   45.479  205.373   79.309 224.3772 91.42322 
1 1 1    3    5    0 o   88.610   34.911   8.6921   17.754   8.6921   17.754   0.0000   0.0000   88.610   34.911  ?   ?       ?      ? 
1 1 1    3    5    1 o  608.126   79.879  802.836  182.580  790.032  257.201  815.843  259.226  602.849  113.493  613.404  112.436 -10.55579 159.7577 
1 1 1    3    5    2 o  470.370   51.460  421.669   88.900  376.187  106.600  525.549  161.104  433.193   63.058  507.546   81.339 -74.35309 102.9192 
1 1 1    3    5    3 o  719.677   55.020  1053.17  154.387  1115.75  221.458  993.997  215.343  740.920   76.593  698.433   79.008 42.48737 110.0398 
1 1 1    3    5    4 o  502.868   45.463  507.341   88.913  568.249  129.020  452.252  122.701  532.035   62.142  473.701   66.376 58.33389 90.92542 
1 1 1    3    5    5 o  1104.70  116.863  2956.44  455.107  3118.88  567.761  2664.45  761.195  1195.92  121.655  1013.47  199.568 182.4529 233.7249 
1 1 1    3    5    6 o  771.816   79.779  1318.86  219.318  1366.62  272.369  1230.81  369.864  811.373   86.021  732.259  134.385 79.11371 159.5589 
1 1 1    3    5    7 o  341.268   59.102  250.798   78.297  282.888  112.539  220.693  109.003  362.965   81.453  319.571   85.661 43.39423 118.2048 
1 1 1    3    5    8 o  879.145  118.592  1995.31  391.925  1914.17  546.998  2080.91  561.832  858.251  169.334  900.039  166.079 -41.78864 237.1842 
1 1 1    3    5    9 o  543.203  111.485  685.260  228.405  685.260  228.405   0.0000   0.0000  543.203  111.485  ?   ?       ?      ? 
1 1 1    3    5   10 o  396.732   94.172  361.919  143.613  361.919  143.613   0.0000   0.0000  396.732   94.172  ?   ?       ?      ? 
1 1 1    3    5   12 o  485.019   53.435  519.386   49.967  521.140   52.001  498.276  180.430  513.681   25.941  456.357  103.674 57.32474 106.8699 
1 1 1    3    5   13 o  191.245   33.235   65.331   16.266   63.118   17.077   86.980   53.411  178.991   24.448  203.499   61.811 -24.50853 66.47043 
1 1 1    3    5   14 o  552.665   54.334  607.149   55.704  600.636   57.597  701.376  219.079  552.128   26.732  553.202  105.328 -1.073914 108.6678 
1 1 1    3    5   15 o  287.987   40.971  201.113   26.506  208.380   27.856  131.547   86.189  325.852   21.906  250.122   78.959 75.72974 81.94159 
1 1 1    3    5   16 o  839.396   79.534  1698.02  120.939  1723.42  125.858  1392.08  436.823  933.728   34.541  745.065  155.273 188.6622 159.0689 
1 1 1    3    5   17 o  421.282   25.117  350.737   41.290  355.969   58.598  345.578   58.191  424.423   35.380  418.140   35.662 6.283081 50.23412 
1 1 1    3    5   18 o  664.758   24.816  898.150   62.473  1043.62   83.864  716.774   93.643  728.183   29.512  601.332   39.905 126.8510 49.63254 
1 1 1    3    5   19 o  194.733   28.849   77.091   17.496   77.501   19.490   75.394   39.705  198.656   25.141  190.810   51.933 7.846054 57.69861 
1 1 1    3    5   20 o  733.526   21.619  1060.78   61.860  1067.94   86.444  1053.25   88.561  736.183   30.090  730.868   31.051 5.314270 43.23819 
1 1 1    3    5   21 o  1223.47   29.701  2978.72  141.697  2926.42  195.908  3036.10  205.195  1212.57   41.401  1234.38   42.598 -21.80408 59.40233 
1 1 1    3    5   22 o  752.090   22.279  1100.88   64.677  1013.15   84.285  1226.52  100.865  716.569   30.141  787.611   32.817 -71.04242 44.55829 
1 1 1    3    5   23 o  876.630   29.494  1538.90   97.142  1512.83  159.792  1554.19  122.347  868.000   47.174  885.260   35.415 -17.26038 58.98831 
1 1 1    3    5   24 o  511.879   20.638  510.143   40.574  478.409   52.257  558.309   64.381  492.536   27.188  531.221   31.057 -38.68564 41.27581 
1 1 1    3    5   25 o  489.544   35.401  449.628   46.336  436.039   49.591  543.074  130.040  469.803   27.049  509.284   65.431 -39.48093 70.80157 
1 1 1    3    5   26 o  881.366   25.053  1538.55   85.140  1450.79  110.882  1664.62  132.901  852.383   33.334  910.348   37.410 -57.96558 50.10691 
1 1 1    3    5   27 o  397.806   20.445  314.012   31.296  306.872   40.791  324.230   48.797  392.984   26.598  402.629   31.057 -9.644684 40.88997 
1 1 1    3    5   28 o  367.300   21.458  267.540   29.909  256.800   37.783  285.564   48.947  358.644   26.996  375.955   33.363 -17.31122 42.91690 
1 1 1    3    5   29 o  461.505   21.495  425.080   37.908  407.015   48.473  453.524   60.824  450.383   27.579  472.627   32.978 -22.24399 42.99032 
1 1 1    3    5   30 o  239.048   29.149  121.176   24.744  119.769   43.156  121.865   30.202  233.112   48.996  244.984   31.591 -11.87247 58.29729 
1 1 1    3    5   31 o  343.422   21.012  240.514   27.963  257.123   38.334  221.625   40.881  357.092   27.509  329.753   31.769 27.33975 42.02366 
1 1 1    3    5   32 o  243.539   25.554  123.882   22.544   78.817   30.238  180.275   33.826  189.493   41.995  297.585   29.128 -108.0912 51.10812 
1 1 1    3    5   33 o  184.662   26.237   70.612   17.756   90.357   29.698   59.628   22.151  203.398   38.831  165.926   35.294 37.47253 52.47440 
1 1 1    3    5   34 o  291.621   39.203  282.290   41.608  352.478   47.742   60.599   84.848  412.867   29.632  170.376   72.591 242.4908 78.40595 
1 1 1    3    5   35 o  202.268   33.473   84.703   22.489  117.953   48.241   75.471   25.420  218.816   56.200  185.719   36.376 33.09784 66.94546 
1 1 1    3    5   36 o  323.612   23.928  221.141   29.671  171.389   40.618  278.063   43.447  282.285   36.872  364.940   30.507 -82.65393 47.85658 
1 1 1    3    6    0 o  433.904   66.621  404.809  109.572  396.839  154.445  412.886  155.477  429.325   94.724  438.483   93.705 -9.157990 133.2413 
1 1 1    3    6    1 o  809.497   75.829  1346.03  224.025  1267.98  269.729  1519.62  402.242  783.352   88.235  835.641  123.349 -52.28912 151.6587 
1 1 1    3    6    2 f  508.838   57.967  526.174  105.572  502.733  128.244  575.459  185.955  499.272   65.822  518.404   95.436 -19.13239 115.9333 
1 1 1    3    6    3 o  621.831   62.273  789.560  142.324  766.105  173.421  837.947  249.086  613.810   72.400  629.851  101.340 -16.04114 124.5450 
1 1 1    3    6    4 o  305.122   47.880  195.688   53.126  197.536   65.137  192.016   91.818  309.694   55.956  300.550   77.711 9.143555 95.76044 
1 1 1    3    6    5 o  475.289   60.051  503.925  101.470  570.404  127.492  389.037  167.601  531.598   61.456  418.979  103.188 112.6193 120.1023 
1 1 1    3    6    6 o  441.053   62.371  394.277  107.350  394.277  107.350   0.0000   0.0000  441.053   62.371  ?   ?       ?      ? 
1 1 1    3    6    7 o  142.796   51.278   35.187   36.368   35.187   36.368   0.0000   0.0000  142.796   51.278  ?   ?       ?      ? 
1 1 1    3    6    8 o  186.983   61.766   69.412   52.379   69.412   52.379   0.0000   0.0000  186.983   61.766  ?   ?       ?      ? 
1 1 1    3    6    9 o  274.161   77.463  165.629   86.540  165.629   86.540   0.0000   0.0000  274.161   77.463  ?   ?       ?      ? 
1 1 1    3    6   10 o  352.561   61.661  283.840   84.725  244.251  117.519  326.688  122.260  325.333   89.679  379.789   84.653 -54.45639 123.3226 
1 1 1    3    6   11 o  265.188   76.538  156.414   83.609   0.0000   0.0000  156.414   83.609  ?   ?   265.188   76.538      ?      ? 
1 1 1    3    6   12 o  528.832   55.042  541.215   71.747  520.633   76.228  700.984  212.380  510.311   38.278  547.352  103.215 -37.04120 110.0840 
1 1 1    3    6   13 f  476.551   54.866  476.734   62.036  473.656   65.887  500.776  184.155  488.499   34.563  464.602  104.146 23.89651 109.7315 
1 1 1    3    6   14 o  550.561   48.743  544.475   52.024  532.545   53.653  732.033  212.743  520.134   26.433  580.988   93.833 -60.85394 97.48518 
1 1 1    3    6   15 o  439.423   46.809  364.895   40.510  358.769   42.003  446.530  153.333  427.257   25.192  451.590   90.165 -24.33371 93.61842 
1 1 1    3    6   16 o  1247.33  122.239  3563.34  305.446  3493.20  319.159  4327.31  1053.34  1311.42   62.364  1183.25  236.391 128.1675 244.4786 
1 1 1    3    6   17 o  275.977   39.159  201.783   25.822  214.957   27.365   94.745   78.002  331.169   21.175  220.784   75.401 110.3844 78.31802 
1 1 1    3    6   18 o  1081.25   85.856  2284.64  152.021  2250.72  155.560  3004.70  716.776  1066.56   37.375  1095.94  167.596 -29.38513 171.7126 
1 1 1    3    6   19 o  401.195   49.233  418.599   42.284  440.108   44.728  237.733  129.700  473.475   24.207  328.915   95.443 144.5606 98.46530 
1 1 1    3    6   20 o  661.576   25.604  860.790   61.008  851.523   73.181  881.906  110.466  657.607   28.517  665.546   42.532 -7.938904 51.20733 
1 1 1    3    6   21 o  645.667   25.447  681.052   53.280  584.189   58.970  1111.56  124.321  544.667   27.744  746.666   42.666 -201.9993 50.89341 
1 1 1    3    6   22 o  427.197   30.106  355.761   46.418  342.517   55.456  386.750   84.833  415.927   34.167  438.466   49.579 -22.53909 60.21134 
1 1 1    3    6   23 o  1264.73   37.894  3067.67  165.757  2878.60  191.525  3631.90  330.866  1201.17   40.859  1328.30   63.830 -127.1322 75.78764 
1 1 1    3    6   24 o  975.394   59.387  1956.21  226.048   0.0000   0.0000  1956.21  226.048  ?   ?   975.394   59.387      ?      ? 
1 1 1    3    6   25 o  840.195   33.037  1404.97  108.321  1404.97  108.321   0.0000   0.0000  840.195   33.037  ?   ?       ?      ? 
1 1 1    3    6   26 o  465.411   51.236  571.523   56.137  609.775   60.774  349.171  146.524  554.109   28.105  376.714   98.542 177.3950 102.4719 
1 1 1    3    6   27 o  313.389   21.577  193.463   26.007  179.270   33.570  214.770   41.132  299.698   28.703  327.080   32.225 -27.38193 43.15471 
1 1 1    3    6   28 o  650.510   23.445  822.957   57.432  737.744   70.991  984.368   97.705  605.765   30.031  695.255   36.012 -89.49005 46.89028 
1 1 1    3    6   29 o  360.877   21.498  265.321   29.794  277.410   39.410  249.192   45.518  371.806   27.162  349.947   33.331 21.85834 42.99692 
1 1 1    3    6   30 o  919.393   53.816  1847.22  193.084  1847.22  193.084   0.0000   0.0000  919.393   53.816  ?   ?       ?      ? 
1 1 1    3    6   31 o  377.345   22.086  293.825   32.062  330.504   43.974  252.194   46.849  404.453   27.861  350.236   34.277 54.21799 44.17193 
1 1 1    3    6   32 o  511.538   29.282  534.083   58.454  534.083   58.454   0.0000   0.0000  511.538   29.282  ?   ?       ?      ? 
1 1 1    3    6   33 o  343.212   22.524  244.270   30.140  230.887   41.766  258.813   43.539  333.247   32.116  353.177   31.590 -19.93069 45.04866 
1 1 1    3    6   34 o  221.778   31.567  104.655   23.985  125.136   47.031   97.456   27.883  228.081   53.725  215.476   33.160 12.60469 63.13473 
1 1 1    3    6   35 o  547.425   44.362  666.691   94.769  666.691   94.769   0.0000   0.0000  547.425   44.362  ?   ?       ?      ? 
1 1 1    3    6   36 o  389.451   31.347  318.342   47.641  318.342   47.641   0.0000   0.0000  389.451   31.347  ?   ?       ?      ? 
1 1 1    3    7    0 o  564.357   77.652  704.180  164.858  693.962  232.376  714.534  233.921  559.860  110.284  568.854  109.347 -8.993591 155.3040 
1 1 1    3    7    1 o  327.256   50.959  225.047   60.517  223.751   74.116  227.639  104.824  328.740   59.983  325.772   82.398 2.968140 101.9186 
1 1 1    3    7    2 o  389.398   41.024  304.907   62.339  303.181   87.991  306.647   88.331  388.281   58.071  390.516   57.962 -2.234924 82.04817 
1 1 1    3    7    3 o  175.157   34.414   62.967   24.466   70.367   34.630   55.593   34.571  184.501   47.734  165.813   49.587 18.68808 68.82849 
1 1 1    3    7    4 o  281.621   37.536  161.879   40.202  193.613   58.070  132.671   55.711  311.458   47.777  251.784   57.908 59.67389 75.07285 
1 1 1    3    7    5 o  132.611   29.603   34.294   17.378   42.066   24.358   26.237   24.800  143.781   41.258  121.441   42.464 22.34006 59.20686 
1 1 1    3    7    6 o  419.167   57.056  389.851   86.055  421.661  106.865  331.173  145.141  454.873   60.202  383.461   96.940 71.41241 114.1126 
1 1 1    3    7    7 o  352.901   52.620  273.618   68.088  289.945   84.202  242.775  115.731  376.806   57.263  328.997   88.297 47.80902 105.2398 
1 1 1    3    7    8 o  702.103  100.260  1283.18  264.907  1466.97  390.099  1125.89  360.876  755.605  137.356  648.600  146.088 107.0056 200.5200 
1 1 1    3    7    9 o  181.656   61.007   66.053   51.054   66.053   51.054   0.0000   0.0000  181.656   61.007  ?   ?       ?      ? 
1 1 1    3    7   10 o  141.154   36.229   34.766   25.761   34.100   36.505   35.427   36.360  140.521   51.244  141.788   51.228 -1.266998 72.45827 
1 1 1    3    7   11 o  350.949   62.117  280.893   85.033  255.333  118.852  307.697  121.709  333.583   89.460  368.316   86.203 -34.73346 124.2339 
1 1 1    3    7   12 o  686.552  137.873  1193.75  356.561   0.0000   0.0000  1193.75  356.561  ?   ?   686.552  137.873      ?      ? 
1 1 1    3    7   13 o  213.929   36.492   96.039   25.341   98.376   28.047   85.653   59.138  223.034   32.224  204.825   65.484 18.20912 72.98360 
1 1 1    3    7   14 o  323.155   44.521  231.989   42.169  240.907   46.657  192.208   98.543  348.987   34.259  297.322   82.187 51.66531 89.04105 
1 1 1    3    7   15 o  783.867   65.484  1137.53  120.261  1096.18  126.158  1549.04  397.997  741.985   43.570  825.750  123.509 -83.76495 130.9689 
1 1 1    3    7   16 o  1084.18  101.253  2823.46  187.319  2839.38  193.871  2599.82  726.650  1195.89   41.542  972.483  198.199 223.4014 202.5062 
1 1 1    3    7   17 o  835.250   76.149  1565.36  113.319  1572.98  117.385  1461.15  434.311  892.817   33.691  777.683  148.525 115.1335 152.2986 
1 1 1    3    7   18 o  1148.78  101.760  2825.24  183.301  2796.54  187.914  3388.35  832.396  1187.22   40.560  1110.33  199.439 76.89246 203.5210 
1 1 1    3    7   19 o  866.622   80.888  1755.23  125.240  1770.39  129.978  1558.60  468.119  946.164   35.202  787.079  157.900 159.0854 161.7760 
1 1 1    3    7   20 f  891.415   84.429  1795.68  172.092  1795.23  182.898  1799.16  508.181  945.770   49.556  837.059  161.422 108.7114 168.8577 
1 1 1    3    7   21 o  465.123  104.612  493.100  185.277   0.0000   0.0000  493.100  185.277  ?   ?   465.123  104.612      ?      ? 
1 1 1    3    7   22 o  769.159   70.695  1227.67   93.864  1217.39   96.702  1395.12  390.308  784.843   31.573  753.476  137.820 31.36749 141.3904 
1 1 1    3    7   23 o  531.096   27.315  556.174   56.612  556.174   56.612   0.0000   0.0000  531.096   27.315  ?   ?       ?      ? 
1 1 1    3    7   24 f  548.936   35.390  471.447   47.581  437.511   49.836  821.252  160.000  470.696   27.131  627.176   65.373 -156.4808 70.77942 
1 1 1    3    7   25 o  703.541   33.601  979.549   73.452  960.192   81.808  1060.06  166.837  695.213   30.154  711.870   60.056 -16.65668 67.20140 
1 1 1    3    7   26 o  667.747   73.728  1003.92   81.829  993.333   84.204  1183.66  347.011  705.466   30.586  630.029  144.250 75.43756 147.4570 
1 1 1    3    7   27 o  174.684   44.029   43.041   19.145   40.953   19.570   89.552   92.372  139.599   35.763  209.769   80.469 -70.17047 88.05834 
1 1 1    3    7   28 o  226.957   46.478   84.222   24.820   78.649   25.594  172.193  101.686  193.917   35.115  259.997   86.068 -66.08049 92.95596 
1 1 1    3    7   29 o  155.587   47.652   19.273   41.710   14.680   45.786   41.675  101.114  128.722   54.007  182.451   78.524 -53.72925 95.30369 
1 1 1    3    7   30 o  333.967   43.709  350.660   44.221  412.070   49.592  112.317   97.700  452.012   28.115  215.922   82.774 236.0904 87.41868 
1 1 1    3    7   31 o  267.574   40.492  146.764   31.464  138.371   34.168  193.592   80.709  259.314   33.765  275.835   73.610 -16.52151 80.98427 
1 1 1    3    7   32 o  360.570   45.826  332.920   59.293  396.552   76.962  240.001   93.002  425.400   46.361  295.740   79.061 129.6597 91.65118 
1 1 1    3    7   33 o  306.007   37.982  321.393   44.241  424.434   51.476   30.171   86.539  453.957   29.057  158.057   70.188 295.8998 75.96498 
1 1 1    3    7   34 o  178.299   39.139   87.387   36.403  117.319   40.969 -24.8840   79.346  224.752   48.160  131.846   61.711 92.90662 78.27885 
1 1 1    3    7   35 o  199.639   40.146  113.546   32.788  125.508   35.001   27.836   93.688  241.843   37.086  157.435   71.214 84.40776 80.29182 
1 1 1    3    7   36 o  275.818   54.540  167.122   37.946  153.842   39.323  346.777  144.632  266.040   37.876  285.596  102.292 -19.55527 109.0792 
1 1 1    3    8    0 o  328.803   58.594  234.275   75.317  261.244  108.496  209.191  104.638  347.312   81.459  310.294   84.247 37.01831 117.1884 
1 1 1    3    8    1 o  597.988   61.981  724.433  135.559  667.391  162.844  853.177  244.645  568.241   73.436  627.735   99.868 -59.49408 123.9616 
1 1 1    3    8    2 o  102.615   26.128   17.457   13.360   15.428   18.372   19.734   19.463   98.730   36.300  106.500   37.590 -7.769447 52.25629 
1 1 1    3    8    3 o  372.038   39.169  279.655   56.697  309.351   81.494  251.799   78.930  391.644   53.322  352.433   57.389 39.21109 78.33745 
1 1 1    3    8    4 o  541.205   62.846  626.976  121.358  663.845  212.312  609.085  147.902  540.494  104.439  541.917   69.937 -1.423157 125.6928 
1 1 1    3    8    5 o  237.135   45.100  121.078   41.564  110.914   70.814  126.420   51.337  229.442   71.440  244.828   55.067 -15.38654 90.19981 
1 1 1    3    8    6 o   95.880   26.518   11.251   14.399   10.120   20.132   12.435   20.601   94.054   37.138   97.707   37.862 -3.652550 53.03539 
1 1 1    3    8    7 o  270.081   54.263  161.519   59.980  173.906   85.386  149.453   84.273  279.881   76.150  260.282   77.326 19.59894 108.5270 
1 1 1    3    8    8 o  289.499   56.668  188.810   66.240  196.204   94.054  181.533   93.305  295.083   79.770  283.914   80.509 11.16968 113.3357 
1 1 1    3    8    9 o  460.588   65.785  475.663  115.909  640.380  175.826  349.063  154.145  539.746   83.476  381.431  101.699 158.3148 131.5709 
1 1 1    3    8   10 o  521.070   78.373  651.226  154.488  711.513  222.940  595.532  214.277  547.252  108.226  494.887  113.385 52.36517 156.7453 
1 1 1    3    8   11 o  400.809   94.001  365.474  144.484   0.0000   0.0000  365.474  144.484  ?   ?   400.809   94.001      ?      ? 
1 1 1    3    8   12 o  540.387  111.054  676.988  226.362   0.0000   0.0000  676.988  226.362  ?   ?   540.387  111.054      ?      ? 
1 1 1    3    8   13 o  370.028   62.410  301.303   88.993  334.516  128.226  270.438  123.610  390.645   86.404  349.411   90.079 41.23343 124.8196 
1 1 1    3    8   14 o  562.404   56.591  627.805   75.457  616.412   79.957  720.562  228.141  557.968   36.721  566.839  107.060 -8.870911 113.1826 
1 1 1    3    8   15 o  978.768   95.029  2318.22  203.182  2356.16  215.763  2021.11  603.829  1084.56   50.979  872.975  183.094 211.5852 190.0581 
1 1 1    3    8   16 o  454.352   51.277  408.988   62.008  400.400   66.918  461.146  164.922  449.747   38.128  458.957   95.203 -9.210327 102.5545 
1 1 1    3    8   17 o  603.624   61.568  957.795   77.106  1010.28   81.983  555.610  226.956  716.456   29.323  490.793  119.594 225.6632 123.1363 
1 1 1    3    8   18 o  946.912   83.612  1924.19  135.200  1913.74  139.343  2092.03  558.594  983.478   36.307  910.346  163.235 73.13263 167.2241 
1 1 1    3    8   19 o  166.273   32.549   63.521   19.715   71.569   21.285   14.932   52.299  190.633   28.612  141.914   58.474 48.71951 65.09820 
1 1 1    3    8   20 o  568.204   57.354  669.577   61.291  666.939   63.541  704.844  232.343  581.907   27.981  554.501  111.242 27.40558 114.7074 
1 1 1    3    8   21 o  964.580   78.904  1810.86  126.747  1780.30  129.786  2440.62  589.188  947.863   35.087  981.297  153.859 -33.43408 157.8086 
1 1 1    3    8   22 o  479.713   26.841  453.380   50.247  453.380   50.247   0.0000   0.0000  479.713   26.841  ?   ?       ?      ? 
1 1 1    3    8   23 o  470.277   26.765  436.206   49.120  436.206   49.120   0.0000   0.0000  470.277   26.765  ?   ?       ?      ? 
1 1 1    3    8   24 o  292.296   48.404  153.806   29.623  149.363   30.562  222.764  120.416  274.671   28.513  309.920   92.514 -35.24911 96.80827 
1 1 1    3    8   25 o  1276.78   44.362  3318.47  221.032  3318.47  221.032   0.0000   0.0000  1276.78   44.362  ?   ?       ?      ? 
1 1 1    3    8   26 o  371.915   56.711  349.549   42.710  354.475   44.186  279.488  166.637  422.161   26.821  321.670  110.206 100.4914 113.4227 
1 1 1    3    8   27 o  413.270   58.522  325.125   42.122  314.955   43.156  529.760  193.584  396.773   27.872  429.767  113.676 -32.99341 117.0433 
1 1 1    3    8   28 o  182.295   53.588   54.354   47.578   58.132   50.460   24.076  142.841  167.909   60.390  196.682   88.543 -28.77303 107.1768 
1 1 1    3    8   29 o  212.484   50.889  113.717   51.367  134.205   57.675   35.136  112.955  240.096   61.334  184.871   81.221 55.22493 101.7775 
1 1 1    3    8   30 o  390.457   42.544  395.761   46.584  434.225   52.791  260.439   99.019  463.079   29.213  317.835   79.916 145.2442 85.08812 
1 1 1    3    8   31 o  241.420   42.843  133.122   31.215  131.801   33.572  141.548   84.813  252.545   34.065  230.294   78.624 22.25128 85.68666 
1 1 1    3    8   32 o  252.032   42.847  140.211   32.666  133.295   35.451  179.113   84.077  251.582   36.109  252.482   77.716 -0.9004364 85.69496 
1 1 1    3    8   33 o  268.464   43.448  211.622   44.212  246.011   51.228  111.235   87.525  338.246   38.810  198.682   77.748 139.5631 86.89590 
1 1 1    3    8   34 o  237.387   39.101  182.371   37.397  212.603   40.780   22.506   93.777  318.279   32.833  156.494   70.975 161.7858 78.20110 
1 1 1    3    8   35 o  214.492   46.665  124.996   34.804  127.682   35.915   83.574  141.028  243.175   37.846  185.810   85.312 57.36516 93.33026 
1 1 1    3    9    0 o  547.248   64.732  650.303  126.213  628.300  153.500  696.221  221.754  547.303   71.870  547.194  107.683 0.1085815 129.4641 
1 1 1    3    9    1 f  852.800  124.305  2058.61  399.375  2356.87  591.387  1808.54  541.506  918.496  171.293  787.105  180.183 131.3912 248.6108 
1 1 1    3    9    2 o  474.173   60.127  488.363  102.067  504.270  177.339  480.484  124.811  467.880  100.150  480.466   66.567 -12.58667 120.2545 
1 1 1    3    9    3 o  133.097   33.129   28.670   20.719   45.124   35.252   19.987   25.609  152.264   50.689  113.929   42.671 38.33474 66.25864 
1 1 1    3    9    4 o  466.417   57.215  451.992   95.442  549.248  171.846  408.611  114.771  491.185   93.059  441.649   66.592 49.53592 114.4310 
1 1 1    3    9    5 o  168.923   37.952   54.429   27.046   72.894   46.472   44.970   33.259  187.180   57.805  150.665   49.192 36.51540 75.90347 
1 1 1    3    9    6 o  620.738   82.561  915.787  193.362  1241.61  300.791  686.307  252.432  726.742  106.060  514.735  126.556 212.0070 165.1220 
1 1 1    3    9    7 o  375.829   65.412  329.126   95.293  336.799  135.551  321.628  133.991  380.406   92.260  371.253   92.752 9.153564 130.8238 
1 1 1    3    9    8 o  148.659   35.496   38.947   24.715   60.936   38.617   23.691   32.165  171.835   52.633  125.482   47.640 46.35356 70.99108 
1 1 1    3    9    9 o  468.823   60.065  483.716  100.908  482.790  123.850  485.545  174.039  480.871   65.999  456.775  100.376 24.09625 120.1300 
1 1 1    3    9   10 o  547.071   78.105  695.828  160.852  809.960  236.108  596.979  219.732  593.500  105.824  500.641  114.903 92.85922 156.2093 
1 1 1    3    9   11 o  448.430   69.191  452.410  117.753  501.653  169.880  406.871  163.367  474.018   95.143  422.842  100.486 51.17593 138.3826 
1 1 1    3    9   12 o  572.834   80.359  752.677  173.249  701.594  241.184  807.136  249.027  550.550  115.923  595.118  111.321 -44.56781 160.7188 
1 1 1    3    9   13 o  265.220   53.314  149.792   57.929  136.611   81.650  163.150   82.200  254.342   76.239  276.099   74.547 -21.75783 106.6285 
1 1 1    3    9   14 o  506.422   73.819  571.060  141.029  592.853  201.530  550.146  197.425  516.596  103.573  496.248  105.211 20.34833 147.6370 
1 1 1    3    9   15 o  499.483   52.253  444.777   63.698  423.271   67.321  628.614  196.830  462.554   37.295  536.412   97.625 -73.85825 104.5066 
1 1 1    3    9   16 o  357.912   46.547  300.372   47.716  321.171   53.002  211.430  109.603  403.418   33.667  312.406   86.794 91.01160 93.09466 
1 1 1    3    9   17 o  224.271   48.378   94.103   45.304  144.832   76.630   66.844   56.173  261.172   72.578  187.369   63.987 73.80362 96.75638 
1 1 1    3    9   18 o  783.291   74.190  1434.35  108.111  1451.49  112.605  1232.37  386.528  857.077   33.667  709.505  144.511 147.5721 148.3809 
1 1 1    3    9   19 o  555.521   58.563  699.568   63.491  708.097   66.287  604.803  220.948  599.570   28.330  511.471  113.648 88.09830 117.1264 
1 1 1    3    9   20 o  141.037   31.414   42.730   15.765   47.385   16.571  -1.6835   51.184  152.599   28.885  129.476   55.796 23.12277 62.82900 
1 1 1    3    9   21 o  231.548   27.682  105.662   25.014  105.662   25.014   0.0000   0.0000  231.548   27.682  ?   ?       ?      ? 
1 1 1    3    9   22 o  311.630   27.721  191.581   33.711  191.581   33.711   0.0000   0.0000  311.630   27.721  ?   ?       ?      ? 
1 1 1    3    9   23 o  367.743   51.768  299.318   40.301  300.997   42.028  280.150  142.022  390.299   27.594  345.188   99.790 45.11115 103.5354 
1 1 1    3    9   24 o  331.002   52.452  258.832   38.875  262.894   40.470  210.330  139.845  364.095   28.483  297.910  100.964 66.18491 104.9045 
1 1 1    3    9   25 o  298.341   49.815  239.407   35.886  248.709   37.240  118.383  134.323  353.884   26.966  242.799   95.911 111.0845 99.62940 
1 1 1    3    9   26 o  221.605   48.948   65.796   21.036   61.856   21.387  182.886  116.588  172.637   32.948  270.573   92.184 -97.93523 97.89536 
1 1 1    3    9   27 o  316.071   60.474  256.397   63.987  260.375   68.775  230.776  174.544  349.966   50.358  282.175  109.966 67.79111 120.9479 
1 1 1    3    9   28 o  418.645  143.073  711.471  280.846   0.0000   0.0000  711.471  280.846  ?   ?   418.645  143.073      ?      ? 
1 1 1    3    9   29 o  183.922   50.332   54.487   22.354   54.460   22.578   55.842  159.131  159.605   36.975  208.239   93.628 -48.63434 100.6645 
1 1 1    3    9   30 o  427.616   70.303  592.881   96.470  610.852  104.146  484.265  256.033  528.923   50.456  326.308  131.240 202.6143 140.6052 
1 1 1    3    9   31 o  231.859   53.842  115.087   30.818  113.551   31.264  167.695  182.945  233.772   34.271  229.946  102.084 3.825943 107.6830 
1 1 1    3    9   32 o  260.813  107.529  294.539  176.988   0.0000   0.0000  294.539  176.988  ?   ?   260.813  107.529      ?      ? 
1 1 1    3    9   33 o  305.779   49.907  318.561   45.842  332.512   47.757  154.977  163.531  400.090   30.588  211.469   95.012 188.6207 99.81445 
1 1 1    3    9   34 o  201.459   44.691  108.403   32.566  112.914   33.535   33.636  136.526  229.343   37.469  173.576   81.149 55.76726 89.38158 
1 1 1    3    9   35 o  142.663   47.309   46.869   30.718   46.869   30.718   0.0000   0.0000  142.663   47.309  ?   ?       ?      ? 
1 1 1    3   10    0 o  471.337   59.633  479.052  100.508  450.324  121.704  540.666  178.235  461.887   67.521  480.787   98.313 -18.90033 119.2668 
1 1 1    3   10    1 o  399.313   56.957  360.281   82.417  377.591  101.707  327.177  140.651  425.772   61.213  372.854   96.069 52.91803 113.9136 
1 1 1    3   10    2 o  512.555   48.721  556.703   97.445  547.700  137.150  565.881  138.475  508.223   69.153  516.888   68.650 -8.665619 97.44209 
1 1 1    3   10    3 o  419.577   42.078  365.584   68.853  383.643   98.415  348.270   96.362  430.093   58.636  409.062   60.365 21.03113 84.15567 
1 1 1    3   10    4 o  227.441   38.277  110.509   33.757  132.389   47.912   88.942   47.569  250.600   50.733  204.281   57.330 46.31929 76.55443 
1 1 1    3   10    5 o  295.821   41.366  186.651   46.058  188.878   64.797  184.378   65.480  297.911   57.821  293.730   59.171 4.181183 82.73119 
1 1 1    3   10    6 o  310.765   49.591  217.811   57.875  241.735   71.775  173.345   97.852  343.510   53.543  278.021   83.489 65.48926 99.18295 
1 1 1    3   10    7 o  539.122   66.632  659.062  127.839  668.895  157.145  639.821  219.826  562.552   71.582  515.691  112.407 46.86145 133.2639 
1 1 1    3   10    8 o  297.953   48.786  185.990   53.092  174.121   64.775  210.286   92.676  286.535   59.859  309.372   77.053 -22.83704 97.57207 
1 1 1    3   10    9 o  441.182   59.046  434.249   93.649  464.586  116.370  378.495  157.760  475.589   62.701  406.774  100.070 68.81494 118.0913 
1 1 1    3   10   10 o  474.466   70.507  504.329  126.441  583.025  184.328  434.391  173.769  512.540   95.677  436.391  103.589 76.14960 141.0131 
1 1 1    3   10   11 o  109.665   29.558   16.606   17.616   21.064   25.272   12.392   24.569  115.259   42.542  104.071   41.048 11.18822 59.11676 
1 1 1    3   10   12 o  498.004   73.300  554.407  137.818  561.787  195.533  547.122  194.281  501.579  103.335  494.428  103.989 7.150330 146.6007 
1 1 1    3   10   13 o  274.173   54.219  160.119   60.422  145.561   85.191  174.856   85.712  262.385   77.699  285.961   75.642 -23.57654 108.4380 
1 1 1    3   10   14 o  930.300  123.026  2214.21  429.981  2086.78  596.739  2351.83  620.104  898.735  176.444  961.866  171.492 -63.13171 246.0527 
1 1 1    3   10   15 o  397.971   93.439  347.756  142.633  347.756  142.633   0.0000   0.0000  397.971   93.439  ?   ?       ?      ? 
1 1 1    3   10   16 o  585.277   61.177  756.623   87.879  767.460   94.409  686.310  240.479  622.267   38.878  548.287  116.012 73.98010 122.3532 
1 1 1    3   10   17 o  222.855   37.002  111.584   32.498  140.485   40.539   59.617   54.361  266.086   39.041  179.625   62.867 86.46094 74.00314 
1 1 1    3   10   18 o  577.003   57.641  711.051   86.464  713.204   93.603  698.532  225.727  598.972   40.045  555.035  108.103 43.93744 115.2816 
1 1 1    3   10   19 o  1237.11   42.610  3053.00  205.709  3053.00  205.709   0.0000   0.0000  1237.11   42.610  ?   ?       ?      ? 
1 1 1    3   10   20 o  667.695   30.254  880.135   78.831  880.135   78.831   0.0000   0.0000  667.695   30.254  ?   ?       ?      ? 
1 1 1    3   10   21 o  178.160   36.883   62.416   19.810   63.881   20.800   48.110   65.006  179.844   29.637  176.476   67.551 3.368073 73.76609 
1 1 1    3   10   22 o  256.958   40.933  104.351   24.571   97.248   25.589  188.361   88.003  221.725   29.574  292.191   76.338 -70.46634 81.86655 
1 1 1    3   10   23 o  384.076   56.104  368.875   71.646  411.538   82.795  241.697  142.951  449.951   47.153  318.202  101.820 131.7495 112.2085 
1 1 1    3   10   24 o  411.857   57.856  443.918   49.691  455.870   51.864  310.210  173.473  479.181   27.735  344.533  112.338 134.6478 115.7112 
1 1 1    3   10   25 o  253.168   46.620  163.368   30.146  169.151   31.099   73.367  122.686  291.443   27.344  214.893   89.140 76.55014 93.24014 
1 1 1    3   10   26 o  246.128   54.115  159.625   59.809  187.522   66.458   40.756  137.185  288.702   60.904  203.554   89.467 85.14780 108.2294 
1 1 1    3   10   27 o  245.745   60.951  142.886   60.359  140.954   65.147  154.600  160.408  244.457   66.517  247.033  102.155 -2.576080 121.9025 
1 1 1    3   10   28 f  356.669   61.164  326.713   42.923  326.116   43.925  339.341  202.124  402.442   27.969  310.896  119.088 91.54623 122.3280 
1 1 1    3   10   29 o  242.656   46.660  176.272   35.745  186.555   36.397 -102.8405  189.622  302.938   30.788  182.374   88.095 120.5636 93.31994 
1 1 1    3   10   30 o  344.278   63.513  338.087   56.096  336.633   57.751  362.366  235.990  401.848   36.827  286.708  121.571 115.1395 127.0266 
1 1 1    3   10   31 o  371.224   66.990  387.484   60.885  376.500   62.885  551.978  243.358  421.145   38.264  321.302  128.400 99.84271 133.9801 
1 1 1    3   10   32 o  242.596   50.110  160.411   36.264  161.618   37.190  137.088  163.457  276.998   34.405  208.193   94.129 68.80418 100.2193 
1 1 1    3   10   33 o  204.287   48.018  105.738   32.414  107.121   33.188   77.117  150.948  219.837   40.166  188.738   87.234 31.09836 96.03661 
1 1 1    3   10   34 o  329.969   33.725  230.198   43.427  230.198   43.427   0.0000   0.0000  329.969   33.725  ?   ?       ?      ? 
1 1 1    3   11    0 o  217.400   43.631  101.725   37.722  105.538   46.440   94.332   64.670  222.707   53.995  212.093   68.550 10.61391 87.26121 
1 1 1    3   11    1 o   87.508   24.829   7.0062   12.072   5.1052   14.487   11.326   21.838   76.860   31.111   98.155   38.705 -21.29511 49.65800 
1 1 1    3   11    2 o  240.275   40.227  123.403   37.143  127.720   52.038  118.919   53.032  244.892   55.708  235.658   58.048 9.234024 80.45440 
1 1 1    3   11    3 o  252.829   39.331  135.905   37.766  144.170   53.144  127.473   53.678  261.237   53.918  244.420   57.277 16.81767 78.66216 
1 1 1    3   11    4 f  373.659   42.446  288.392   61.883  292.730   87.264  284.003   87.770  376.715   59.360  370.604   60.689 6.111145 84.89215 
1 1 1    3   11    5 o  665.563   55.634  945.368  144.424  987.567  206.767  905.165  201.817  680.665   77.842  650.461   79.507 30.20392 111.2688 
1 1 1    3   11    6 o  546.235   67.229  681.823  130.381  723.815  161.836  604.162  220.086  588.529   70.465  503.940  114.514 84.58853 134.4577 
1 1 1    3   11    7 o  256.866   45.891  144.731   45.025  157.090   55.647  121.302   76.619  274.150   53.936  239.582   74.262 34.56816 91.78221 
1 1 1    3   11    8 o  690.325   81.420  1006.90  219.340  1006.90  219.340   0.0000   0.0000  690.325   81.420  ?   ?       ?      ? 
1 1 1    3   11    9 o  186.243   40.481   71.146   31.746   75.818   39.612   62.757   53.076  190.947   51.831  181.540   62.197 9.406158 80.96246 
1 1 1    3   11   10 o  397.403   55.391  348.419   79.916  382.333   99.879  288.072  133.233  434.383   58.921  360.424   93.815 73.95969 110.7828 
1 1 1    3   11   11 f  449.783   68.954  447.027  117.560  475.439  168.319  419.968  164.265  464.828   95.972  434.739   99.036 30.08908 137.9083 
1 1 1    3   11   12 o  941.647  119.557  2224.46  428.676  2525.07  633.386  1970.39  582.308  1013.53  160.140  869.764  177.569 143.7670 239.1138 
1 1 1    3   11   13 o  109.753   30.480   14.262   19.019   12.583   28.556   15.601   25.497  110.308   44.016  109.199   42.175 1.108261 60.96029 
1 1 1    3   11   14 o  658.013   87.867  994.677  217.337  1021.53  309.943  968.705  304.843  667.521  123.533  648.505  124.989 19.01630 175.7344 
1 1 1    3   11   15 o  279.978   55.040  167.220   63.273  130.067   89.227  204.799   89.739  250.810   80.463  309.145   75.123 -58.33524 110.0805 
1 1 1    3   11   16 o  868.782  117.454  1940.87  383.662  1885.87  538.328  1997.64  546.935  854.227  167.475  883.338  164.723 -29.11090 234.9075 
1 1 1    3   11   17 o  503.712   41.708  505.155   81.985  505.155   81.985   0.0000   0.0000  503.712   41.708  ?   ?       ?      ? 
1 1 1    3   11   18 o  125.201   54.906  -9.4275   51.416  -9.4275   51.416   0.0000   0.0000  125.201   54.906  ?   ?       ?      ? 
1 1 1    3   11   19 o  879.242   81.297  1698.73  165.602  1681.86  175.882  1830.52  491.606  914.322   49.293  844.162  154.941 70.16064 162.5932 
1 1 1    3   11   20 o  617.059   64.779  796.576  109.234  779.075  118.918  891.082  276.344  621.751   49.012  612.367  119.930 9.383606 129.5587 
1 1 1    3   11   21 o  930.395   79.309  1717.64  124.369  1685.48  127.471  2354.43  567.214  920.609   35.482  940.181  154.598 -19.57227 158.6175 
1 1 1    3   11   22 o  670.382   71.186  1065.05   88.425  1071.75   91.981  983.375  321.110  734.377   32.096  606.386  138.708 127.9918 142.3729 
1 1 1    3   11   23 o  449.391   54.918  421.280   49.212  416.201   51.156  484.331  180.232  457.826   28.633  440.956  106.039 16.86990 109.8369 
1 1 1    3   11   24 o  366.792   54.193  299.011   42.253  297.711   43.965  314.731  152.913  386.371   29.159  347.214  104.390 39.15665 108.3860 
1 1 1    3   11   25 o  323.103   61.128  257.847   70.105  257.800   78.869  258.025  153.019  340.266   61.666  305.940  105.565 34.32614 122.2570 
1 1 1    3   11   26 o  331.764   56.544  275.435   40.428  276.686   41.651  255.051  168.096  371.041   28.765  292.488  109.369 78.55328 113.0884 
1 1 1    3   11   27 o  133.766   41.129   24.358   16.514   26.682   16.630 -140.5581  140.105  113.603   34.486  153.928   74.680 -40.32507 82.25842 
1 1 1    3   11   28 o  277.746   57.201  160.142   30.781  157.551   31.232  247.905  181.783  279.329   28.652  276.163  110.756 3.166504 114.4023 
1 1 1    3   11   29 o  353.226  141.543  645.489  296.613   0.0000   0.0000  645.489  296.613  ?   ?   353.226  141.543      ?      ? 
1 1 1    3   11   30 f  383.104   66.212  537.851   95.603  559.586  101.780  374.929  278.661  498.877   52.280  267.331  121.667 231.5455 132.4243 
1 1 1    3   11   31 o  382.698   69.300  536.170   94.054  531.187   99.145  580.977  297.315  480.273   52.900  285.122  128.107 195.1511 138.5997 
1 1 1    3   11   32 o  143.095   46.532   27.412   21.447   29.065   21.544 -153.2639  225.242  117.440   39.630  168.751   84.205 -51.31157 93.06435 
1 1 1    3   11   33 o  215.806   48.351  126.607   32.326  129.402   32.648 -13.0287  230.771  247.660   33.781  183.952   90.611 63.70792 96.70283 
1 1 1    3   11   34 o  247.840   35.263  131.260   34.105  131.260   34.105   0.0000   0.0000  247.840   35.263  ?   ?       ?      ? 
1 1 1    3   12    0 o  430.817   58.544  417.038   90.713  448.711  112.605  358.483  153.108  467.023   61.786  394.612   99.459 72.41107 117.0878 
1 1 1    3   12    1 o  149.659   32.254   44.463   20.575   36.735   27.677   54.011   30.763  137.432   44.874  161.886   46.341 -24.45480 64.50706 
1 1 1    3   12    2 o  389.169   42.634  310.214   64.716  297.169   90.383  323.938   92.705  380.604   60.853  397.733   59.728 -17.12888 85.26761 
1 1 1    3   12    3 f  976.743   77.707  2165.79  296.170  2131.98  417.002  2200.21  420.717  968.500  110.333  984.985  109.453 -16.48462 155.4137 
1 1 1    3   12    4 o  561.995   50.536  657.671  110.829  651.810  156.052  663.636  157.429  559.465   71.477  564.525   71.461 -5.060059 101.0723 
1 1 1    3   12    5 o  435.977   43.393  388.506   73.821  391.358  103.981  385.608  104.820  437.749   60.869  434.204   61.861 3.545563 86.78651 
1 1 1    3   12    6 o  692.665   77.673  1086.03  190.498  1101.68  234.093  1055.35  327.772  721.911   83.095  663.419  131.253 58.49158 155.3455 
1 1 1    3   12    7 o  543.202   66.038  675.279  126.995  764.071  160.206  525.144  208.320  609.986   67.302  476.418  113.641 133.5674 132.0753 
1 1 1    3   12    8 o  207.005   54.513   89.452   44.645   89.452   44.645   0.0000   0.0000  207.005   54.513  ?   ?       ?      ? 
1 1 1    3   12    9 o  235.010   44.800  118.711   41.390  129.468   51.400   98.873   69.806  249.153   54.391  220.868   71.202 28.28520 89.59964 
1 1 1    3   12   10 o  331.752   50.453  242.000   62.538  275.741   78.845  184.764  102.691  370.345   54.555  293.158   84.886 77.18747 100.9052 
1 1 1    3   12   11 o  109.793   32.364   0.9191   11.219   39.505   49.002  -1.2152   11.525  158.232   59.073   61.355   26.458 96.87714 64.72763 
1 1 1    3   12   12 o  509.456   70.309  561.180  136.875  656.240  200.714  478.544  187.140  556.673   92.394  462.238  106.004 94.43451 140.6183 
1 1 1    3   12   13 o  132.561   35.367   25.934   25.112   19.241   36.567   31.909   34.548  127.308   50.121  137.814   49.913 -10.50645 70.73458 
1 1 1    3   12   14 o  373.553   90.348  306.371  130.266  306.371  130.266   0.0000   0.0000  373.553   90.348  ?   ?       ?      ? 
1 1 1    3   12   15 o  458.616  100.953  470.977  175.781  470.977  175.781   0.0000   0.0000  458.616  100.953  ?   ?       ?      ? 
1 1 1    3   12   16 o  640.019   87.903  960.031  211.506  1030.71  306.027  895.400  292.650  664.635  122.503  615.404  126.097 49.23145 175.8055 
1 1 1    3   12   17 o  203.806   48.053   65.788   43.768  133.433   78.218   34.954   52.809  250.480   74.515  157.133   60.694 93.34709 96.10530 
1 1 1    3   12   18 o  670.480   69.357  1037.57  121.506  1061.43  132.629  912.977  303.097  727.478   46.718  613.482  130.610 113.9963 138.7139 
1 1 1    3   12   19 o  570.767   61.974  777.424  102.767  831.080  116.383  587.513  218.955  643.293   46.361  498.240  114.952 145.0531 123.9483 
1 1 1    3   12   20 o  778.677   77.533  1321.09  144.011  1298.16  153.383  1491.76  418.410  801.279   49.052  756.075  147.104 45.20404 155.0668 
1 1 1    3   12   21 o  385.933   53.620  361.248   76.201  473.083   98.292  192.783  120.638  481.009   52.364  290.856   93.586 190.1531 107.2394 
1 1 1    3   12   22 o  351.172   49.962  265.818   39.714  265.068   41.661  273.290  131.448  365.337   29.221  337.007   95.556 28.33035 99.92461 
1 1 1    3   12   23 o  287.719   59.243  198.611   69.788  209.960   86.885  177.975  117.160  302.609   74.154  272.830   92.413 29.77872 118.4865 
1 1 1    3   12   24 o  395.313   61.647  409.218   88.032  452.653  104.957  306.169  161.664  458.667   58.638  331.960  108.457 126.7075 123.2941 
1 1 1    3   12   25 o  271.697   51.129  168.736   33.450  168.983   34.508  164.889  136.074  289.603   30.534  253.791   97.593 35.81165 102.2583 
1 1 1    3   12   26 o  322.325   55.936  281.460   41.904  285.797   43.185  211.623  173.292  376.418   29.399  268.231  107.940 108.1875 111.8717 
1 1 1    3   12   27 o  215.889   50.899   91.833   27.482   91.780   27.919   93.484  155.945  211.930   33.757  219.848   96.038 -7.917908 101.7979 
1 1 1    3   12   28 o  175.117   55.679   23.944   16.909   22.731   16.980  169.305  185.888  106.583   35.165  243.651  105.661 -137.0679 111.3587 
1 1 1    3   12   29 o  205.055   56.456   68.131   24.692   66.785   24.859  167.229  213.344  175.875   37.372  234.235  106.548 -58.35974 112.9117 
1 1 1    3   12   30 o  318.133   52.628  364.178   48.931  375.498   49.922   87.684  246.730  427.092   29.953  209.173  100.903 217.9192 105.2552 
1 1 1    3   12   31 o  193.114   47.363   85.971   26.484   87.716   26.712 -15.2183  203.394  204.409   33.486  181.819   88.610 22.58992 94.72666 
1 1 1    3   12   32 o  227.638   33.346  108.975   29.622  108.975   29.622   0.0000   0.0000  227.638   33.346  ?   ?       ?      ? 
1 1 1    3   13    0 o  365.006   53.552  288.005   71.239  300.161   87.723  264.462  122.084  384.454   58.471  345.559   89.735 38.89548 107.1033 
1 1 1    3   13    1 o  1017.80  110.407  2522.31  393.175  2389.00  472.566  2822.16  708.711  1024.76  118.171  1010.85  186.532 13.90881 220.8129 
1 1 1    3   13    2 o  650.070   72.059  919.463  166.260  894.590  202.033  971.649  292.643  653.414   79.232  646.726  120.384 6.687805 144.1182 
1 1 1    3   13    3 o  138.880   34.821   32.585   21.639   30.863   25.274   37.312   41.880  128.058   42.924  149.701   54.842 -21.64310 69.64255 
1 1 1    3   13    4 o  241.493   46.773  126.886   44.287  138.876   53.595  101.078   78.632  257.849   54.944  225.136   75.711 32.71393 93.54681 
1 1 1    3   13    5 f  798.639   79.517  1371.75  230.565  1292.01  276.908  1551.99  416.323  778.851   91.106  818.428  130.352 -39.57751 159.0348 
1 1 1    3   13    6 o  416.259   60.856  351.499   98.854  351.499   98.854   0.0000   0.0000  416.259   60.856  ?   ?       ?      ? 
1 1 1    3   13    7 o  1082.12  118.043  2616.39  498.480  2616.39  498.480   0.0000   0.0000  1082.12  118.043  ?   ?       ?      ? 
1 1 1    3   13    8 o  367.112   57.792  271.888   82.794  271.888   82.794   0.0000   0.0000  367.112   57.792  ?   ?       ?      ? 
1 1 1    3   13    9 o  158.195   49.554   49.716   34.014   49.716   34.014   0.0000   0.0000  158.195   49.554  ?   ?       ?      ? 
1 1 1    3   13   10 o  709.453   82.308  1048.53  227.875  1048.53  227.875   0.0000   0.0000  709.453   82.308  ?   ?       ?      ? 
1 1 1    3   13   11 o  451.056  103.749  454.367  178.815  454.367  178.815   0.0000   0.0000  451.056  103.749  ?   ?       ?      ? 
1 1 1    3   13   12 o  598.013   69.061  779.034  147.848  788.970  182.793  760.238  251.421  617.675   75.835  578.352  115.442 39.32233 138.1221 
1 1 1    3   13   13 o  104.073   29.489   9.9105   17.997   15.974   28.109   5.6983   23.429  113.132   44.118   95.015   39.142 18.11744 58.97876 
1 1 1    3   13   14 o  656.031   84.703  977.842  211.282  1149.71  313.457  834.748  286.020  718.028  111.868  594.034  127.217 123.9938 169.4065 
1 1 1    3   13   15 o  611.183  121.451  874.023  279.463  874.023  279.463   0.0000   0.0000  611.183  121.451  ?   ?       ?      ? 
1 1 1    3   13   16 f  377.311   65.084  314.180   94.960  366.786  141.521  271.097  128.072  406.300   91.462  348.322   92.618 57.97733 130.1673 
1 1 1    3   13   17 o  680.681   95.096  1130.81  243.583  1050.67  340.123  1215.20  349.005  651.557  138.059  709.806  130.817 -58.24939 190.1929 
1 1 1    3   13   18 o  506.000   79.389  602.763  153.028  528.608  216.350  677.005  216.478  469.252  118.205  542.749  106.010 -73.49728 158.7788 
1 1 1    3   13   19 o  594.384   51.062  716.477  118.439  716.477  118.439   0.0000   0.0000  594.384   51.062  ?   ?       ?      ? 
1 1 1    3   13   20 o  594.295   55.942  726.647  129.740  726.647  129.740   0.0000   0.0000  594.295   55.942  ?   ?       ?      ? 
1 1 1    3   13   21 o  468.299  114.017  557.627  206.414   0.0000   0.0000  557.627  206.414  ?   ?   468.299  114.017      ?      ? 
1 1 1    3   13   22 o  124.243   41.451 -49.0771   47.132 -147.6866  101.814 -22.1812   53.173  130.145   63.261  118.342   53.579 11.80276 82.90160 
1 1 1    3   13   23 o  421.344   57.599  433.355   52.776  437.569   55.376  391.619  174.269  467.334   30.364  375.353  111.124 91.98169 115.1982 
1 1 1    3   13   24 o  162.018   39.953   53.677   20.111   57.021   20.513 -29.1891  102.105  165.249   32.965  158.787   72.789 6.461472 79.90611 
1 1 1    3   13   25 o  168.762   45.872   39.284   18.118   38.360   18.357   74.163  112.783  134.637   34.715  202.888   84.922 -68.25098 91.74318 
1 1 1    3   13   26 o  390.584  132.051  575.550  239.216   0.0000   0.0000  575.550  239.216  ?   ?   390.584  132.051      ?      ? 
1 1 1    3   13   27 o  210.913   51.919   79.785   24.466   79.096   24.734  111.029  166.524  196.902   32.190  224.924   98.722 -28.02229 103.8374 
1 1 1    3   13   28 o  368.693   69.261  441.847   95.407  449.338  103.355  398.684  248.091  442.101   59.907  295.285  124.897 146.8163 138.5212 
1 1 1    3   13   29 o  193.068   49.273   75.989   23.556   77.019   23.698  -9.4058  215.805  193.168   31.437  192.969   93.397 0.1997528 98.54607 
1 1 1    3   13   30 o  228.904   54.477  110.097   28.077  107.800   28.357  224.870  200.442  227.514   31.939  230.294  104.167 -2.780014 108.9539 
1 1 1    3   13   31 o  187.547   36.536   76.922   25.779   76.922   25.779   0.0000   0.0000  187.547   36.536  ?   ?       ?      ? 
1 1 1    3   13   32 o  256.037   33.572  138.274   33.544  138.274   33.544   0.0000   0.0000  256.037   33.572  ?   ?       ?      ? 
1 1 1    3   13   33 o  178.596   42.943   81.277   26.613   84.670   27.078 -14.9849  144.244  195.955   36.760  161.238   77.620 34.71626 85.88520 
1 1 1    3   14    0 o  665.772   73.149  962.710  172.955  947.565  210.855  993.855  302.368  674.368   80.123  657.175  122.407 17.19324 146.2977 
1 1 1    3   14    1 o  673.432   56.147  943.723  147.553  944.156  208.091  943.284  209.257  673.723   79.148  673.141   79.660 0.5817261 112.2950 
1 1 1    3   14    2 o  275.021   41.490  157.554   43.091  147.369   58.639  169.511   63.534  265.317   58.233  284.725   59.115 -19.40833 82.97973 
1 1 1    3   14    3 o  1109.21   86.108  2769.14  372.711  2738.17  524.680  2800.69  529.540  1102.78  121.920  1115.65  121.630 -12.87329 172.2160 
1 1 1    3   14    4 o  677.556   56.120  952.938  148.348  925.634  207.408  981.537  212.268  667.490   79.625  687.623   79.105 -20.13312 112.2393 
1 1 1    3   14    5 o  793.466   61.836  1314.97  190.757  1176.76  259.082  1478.60  281.902  747.312   88.839  839.620   86.037 -92.30780 123.6716 
1 1 1    3   14    6 o  1095.83   84.436  2677.88  361.079  2683.24  510.230  2672.50  511.058  1097.21  119.163  1094.45  119.659 2.766724 168.8729 
1 1 1    3   14    7 o  937.577   91.762  1940.65  311.867  1832.98  374.734  2183.24  562.510  920.492  104.321  954.662  150.990 -34.16937 183.5237 
1 1 1    3   14    8 o  386.126   55.213  325.857   77.376  352.579   95.829  275.803  131.156  417.930   58.757  354.322   93.495 63.60742 110.4254 
1 1 1    3   14    9 o  410.671   55.066  348.674   81.623  335.973   99.659  374.553  142.261  406.912   62.760  414.431   90.499 -7.518951 110.1317 
1 1 1    3   14   10 o  227.244   44.738  109.531   40.498  117.174   50.608   95.921   67.532  236.720   55.711  217.768   70.015 18.95198 89.47552 
1 1 1    3   14   11 o  509.129   75.175  579.793  144.314  633.773  212.429  533.528  196.665  531.724  106.094  486.533  106.533 45.19101 150.3504 
1 1 1    3   14   12 o  417.426   67.390  386.889  107.359  386.810  152.368  386.966  151.294  417.231   95.627  417.621   94.979 -0.3901672 134.7793 
1 1 1    3   14   13 o  341.248   61.202  255.369   81.685  278.490  117.957  234.063  113.229  356.251   85.856  326.244   87.244 30.00708 122.4047 
1 1 1    3   14   14 o  400.071   94.131  357.450  144.509   0.0000   0.0000  357.450  144.509  ?   ?   400.071   94.131      ?      ? 
1 1 1    3   14   15 o  662.140   87.445  1021.55  220.717  1172.61  325.734  893.319  300.119  716.580  116.484  607.700  130.453 108.8804 174.8900 
1 1 1    3   14   16 o  646.291   91.190  1008.76  221.906  1017.71  316.505  1000.10  311.206  648.576  129.585  644.006  128.336 4.570190 182.3795 
1 1 1    3   14   17 o  151.746   43.347   18.316   36.526   48.082   68.404   6.4438   43.200  178.926   69.087  124.567   52.372 54.35928 86.69346 
1 1 1    3   14   18 o  411.592   99.332  392.979  157.721   0.0000   0.0000  392.979  157.721  ?   ?   411.592   99.332      ?      ? 
1 1 1    3   14   20 o  219.095   55.447   82.318   59.848  155.336   99.968   41.530   74.716  261.934   85.272  176.256   70.894 85.67847 110.8935 
1 1 1    3   14   21 o  211.490   57.865   83.441   68.404   62.824  102.518   99.985   91.837  202.967   82.541  220.013   81.119 -17.04622 115.7298 
1 1 1    3   14   22 o  535.760   67.347  727.243  115.592  751.896  134.196  656.357  227.553  592.630   58.026  478.890  121.554 113.7397 134.6934 
1 1 1    3   14   23 o  140.163   46.247 -46.7884   58.793 -42.0665  100.518 -49.2439   72.485  153.594   71.059  126.732   59.209 26.86192 92.49384 
1 1 1    3   14   24 o   95.354   35.141  -2.0302   7.2672  -1.7296   7.2892 -51.6589   93.662   47.046   20.652  143.661   67.179 -96.61468 70.28185 
1 1 1    3   14   25 o  123.444   37.527   21.266   15.271   24.006   15.411 -127.1917  113.445  108.168   33.269  138.720   67.278 -30.55193 75.05473 
1 1 1    3   14   26 f  479.392   71.153  710.377   71.928  719.311   74.573  591.076  272.514  594.021   32.170  364.763  138.622 229.2580 142.3053 
1 1 1    3   14   27 f  200.934   49.985   86.060   27.724   87.695   28.064   19.797  178.615  202.903   36.799  198.965   92.952 3.938721 99.97085 
1 1 1    3   14   28 o  356.810   63.265  374.071   49.793  372.109   50.873  418.776  242.861  425.596   30.631  288.023  122.766 137.5731 126.5297 
1 1 1    3   14   29 o  187.590   51.636   65.912   23.461   65.856   23.590   70.914  224.018  173.996   35.933  201.183   96.820 -27.18704 103.2730 
1 1 1    3   14   30 o  111.715   36.322   26.347   18.140   26.347   18.140   0.0000   0.0000  111.715   36.322  ?   ?       ?      ? 
1 1 1    3   14   31 o  200.471   46.189  100.245   26.733  102.211   27.010   6.1394  186.906  221.345   31.270  179.598   86.924 41.74715 92.37761 
1 1 1    3   14   32 o  225.108   44.817  151.635   33.142  156.949   33.930   41.147  154.722  273.393   31.802  176.823   83.802 96.56964 89.63352 
1 1 1    3   15    0 o  362.747   52.747  277.576   69.406  281.411   84.919  269.860  120.458  373.494   58.263  352.001   87.945 21.49313 105.4931 
1 1 1    3   15    1 o  703.687   56.771  1027.71  155.826  986.339  217.628  1071.25  223.222  688.802   80.963  718.572   79.604 -29.77014 113.5424 
1 1 1    3   15    2 o  205.322   39.562   86.742   32.226   81.911   42.175   93.518   49.953  198.663   53.297  211.982   58.482 -13.31926 79.12455 
1 1 1    3   15    3 o  772.935   61.572  1253.11  185.643  1206.34  259.043  1302.49  266.181  757.792   87.597  788.077   86.552 -30.28546 123.1442 
1 1 1    3   15    4 o  274.916   50.261  158.153   52.892  169.264   87.527  151.761   66.384  281.546   77.305  268.286   64.254 13.26086 100.5222 
1 1 1    3   15    5 o  356.567   53.440  274.353   71.024  237.734  116.204  296.190   89.735  330.403   88.394  382.732   60.081 -52.32828 106.8798 
1 1 1    3   15    6 o  191.514   46.369   69.800   41.775   76.164   56.383   62.055   62.204  196.174   64.049  186.854   67.067 9.320480 92.73744 
1 1 1    3   15    7 o  257.283   54.080  139.489   58.201  137.602   79.769  141.637   85.108  255.376   75.065  259.190   77.869 -3.814209 108.1592 
1 1 1    3   15    8 o  223.582   49.031  101.510   47.344   85.277   64.346  120.669   69.907  207.364   68.458  239.800   70.211 -32.43611 98.06109 
1 1 1    3   15    9 o  295.120   57.144  188.038   67.755  181.674   95.190  194.574   96.463  290.239   80.975  300.002   80.653 -9.762604 114.2889 
1 1 1    3   15   10 o  312.147   52.351  210.553   60.747  216.027   75.156  200.238  103.170  320.907   62.260  303.388   84.179 17.51819 104.7018 
1 1 1    3   15   11 o  700.375   78.842  1127.53  195.869  1189.55  244.106  1015.40  328.201  750.988   83.294  649.763  133.889 101.2248 157.6839 
1 1 1    3   15   12 o  662.262   86.401  1010.38  217.751  1181.78  322.658  867.034  295.079  723.356  114.303  601.168  129.596 122.1884 172.8016 
1 1 1    3   15   13 o  571.194   68.870  740.730  142.125  810.894  181.490  629.476  228.535  623.464   74.595  518.924  115.793 104.5403 137.7405 
1 1 1    3   15   14 o  305.751   68.852  196.604   84.765  224.535  166.595  186.848   98.464  319.207  110.148  292.294   82.642 26.91296 137.7037 
1 1 1    3   15   15 o  168.635   61.439   49.457   52.457   0.0000   0.0000   49.457   52.457  ?   ?   168.635   61.439      ?      ? 
1 1 1    3   15   16 o   87.838   38.776  -7.1925   26.035   0.0000   0.0000  -7.1925   26.035  ?   ?    87.838   38.776      ?      ? 
1 1 1    3   15   17 o  514.081   82.085  643.408  160.781  615.130  231.517  669.750  223.453  498.896  120.313  529.265  111.698 -30.36905 164.1697 
1 1 1    3   15   18 o  187.079   53.039   43.198   53.248   71.732  103.052   32.805   62.194  212.333   83.966  161.825   64.825 50.50784 106.0781 
1 1 1    3   15   19 o  238.010   62.260  118.136   75.875   87.008  130.642  133.980   93.205  230.152   93.331  245.867   82.430 -15.71498 124.5209 
1 1 1    3   15   20 o  387.023   70.782  363.092  105.260  310.760  132.797  451.544  172.646  354.875   94.288  419.172  105.595 -64.29672 141.5648 
1 1 1    3   15   21 o  348.766  123.850  370.818  211.585  370.818  211.585   0.0000   0.0000  348.766  123.850  ?   ?       ?      ? 
1 1 1    3   15   22 o  221.864   68.065   70.791   90.891  132.893  203.422   55.300  101.596  251.164  109.703  192.564   80.600 58.60081 136.1293 
1 1 1    3   15   23 f  217.575   62.489   96.306   81.805   67.360  105.839  139.259  128.928  197.537   82.438  237.613   93.932 -40.07631 124.9771 
1 1 1    3   15   24 o  283.322   63.188  228.335   87.577  304.585  112.178  109.331  140.141  343.367   84.331  223.277   94.124 120.0897 126.3765 
1 1 1    3   15   25 f  291.298   48.678  277.117   43.291  295.266   44.800   21.290  168.199  381.667   30.079  200.929   92.592 180.7376 97.35513 
1 1 1    3   15   26 f  488.137   79.339  783.977  127.716  787.257  141.197  769.216  299.503  584.342   61.919  391.932  146.099 192.4102 158.6784 
1 1 1    3   15   27 o  151.772   39.704   51.100   21.948   57.111   22.121 -329.0941  175.939  162.677   35.815  140.867   70.871 21.80997 79.40707 
1 1 1    3   15   28 o  232.803   32.379  112.743   29.416  112.743   29.416   0.0000   0.0000  232.803   32.379  ?   ?       ?      ? 
1 1 1    3   15   29 o  496.382   29.728  509.780   57.585  509.780   57.585   0.0000   0.0000  496.382   29.728  ?   ?       ?      ? 
1 1 1    3   15   30 o  155.692   47.091   39.552   20.621   40.312   20.736 -28.3431  196.052  134.864   37.853  176.521   86.240 -41.65659 94.18121 
1 1 1    3   15   31 o   95.014   36.362 -10.1447   11.243  -9.3230   11.282 -128.2179  135.236   50.606   23.547  139.421   68.807 -88.81564 72.72466 
1 1 1    3   15   32 o  185.982   43.215   84.811   24.786   86.364   25.176   35.904  141.301  202.260   31.897  169.705   80.329 32.55452 86.42993 
1 1 1    3   16    0 o  280.181   51.090  167.104   54.155  169.147   66.266  162.995   93.971  283.848   61.593  276.513   81.530 7.334808 102.1802 
1 1 1    3   16    1 o  282.034   50.074  171.335   54.468  154.430   86.755  182.333   69.979  269.465   78.021  294.604   62.789 -25.13837 100.1482 
1 1 1    3   16    2 f  266.440   48.966  152.811   51.244  132.439   80.095  166.930   66.677  251.131   75.562  281.750   62.297 -30.61922 97.93124 
1 1 1    3   16    3 f  911.998   99.966  2008.67  322.008  1792.65  536.562  2130.27  402.560  833.841  170.642  990.154  104.183 -156.3130 199.9322 
1 1 1    3   16    4 o  351.403   54.917  264.156   71.249  266.326  117.763  262.903   89.486  349.289   86.781  353.518   67.324 -4.229889 109.8339 
1 1 1    3   16    5 o  825.004   91.309  1639.37  265.809  1296.96  427.451  1855.26  339.414  717.679  156.992  932.329   93.289 -214.6497 182.6181 
1 1 1    3   16    6 o  390.378   65.011  333.840   97.457  292.100  132.864  382.452  143.386  363.210   93.258  417.546   90.601 -54.33557 130.0216 
1 1 1    3   16    7 o  919.596  180.075  2267.70  623.097  2267.70  623.097   0.0000   0.0000  919.596  180.075  ?   ?       ?      ? 
1 1 1    3   16    8 f  312.338   59.828  210.963   74.857  181.278  101.631  246.165  110.673  289.287   84.643  335.390   84.575 -46.10364 119.6553 
1 1 1    3   16    9 o  512.184   76.313  596.729  147.710  638.993  212.359  557.116  205.593  531.375  106.123  492.993  109.694 38.38199 152.6265 
1 1 1    3   16   10 o  270.796   55.113  151.708   62.351  209.872   94.763  107.304   82.799  310.832   78.193  230.760   77.690 80.07227 110.2268 
1 1 1    3   16   11 o  421.864   53.203  327.833   80.382  244.238   95.035  537.966  150.674  336.622   74.331  507.105   76.139 -170.4830 106.4063 
1 1 1    3   16   12 o  312.381   58.541  211.277   76.031  126.647  105.509  302.698  109.660  250.828   87.595  373.934   77.687 -123.1053 117.0819 
1 1 1    3   16   13 o  838.571   94.895  1781.40  281.026  2171.40  370.819  1255.18  430.741  996.592   95.348  680.551  164.100 316.0411 189.7897 
1 1 1    3   16   14 o  879.405  101.171  2013.41  316.354  2386.17  415.967  1502.00  487.219  1031.18  103.369  727.627  173.946 303.5565 202.3423 
1 1 1    3   16   15 o  610.144   71.829  841.889  160.663  828.280  202.579  864.961  263.767  619.235   83.832  601.053  116.661 18.18182 143.6579 
1 1 1    3   16   16 o  474.497  115.179  554.160  211.126  554.160  211.126   0.0000   0.0000  474.497  115.179  ?   ?       ?      ? 
1 1 1    3   16   17 o  287.330   64.479  182.337   78.839  230.844  131.363  155.029   98.563  311.828   97.335  262.832   84.594 48.99594 128.9579 
1 1 1    3   16   18 o  166.555   50.548   10.816   44.277   58.892  111.308   1.7789   48.259  207.009   85.301  126.100   54.260 80.90925 101.0963 
1 1 1    3   16   19 o  180.068   53.964   30.822   55.478   50.522  120.747   25.551   62.461  205.378   87.016  154.758   63.850 50.62010 107.9287 
1 1 1    3   16   20 o  149.379   50.035 -50.7141   55.143 -10.9404  135.102 -58.6645   60.403  187.809   85.182  110.949   52.518 76.85963 100.0705 
1 1 1    3   16   21 o  268.074   60.000  159.576   78.473  304.306  119.993   51.416  103.731  344.769   88.681  191.380   80.844 153.3898 120.0004 
1 1 1    3   16   22 o  215.437   61.487   99.808   80.189   81.076  117.034  116.383  110.092  207.572   86.662  223.301   87.248 -15.72942 122.9737 
1 1 1    3   16   23 o  170.062   53.567   11.801   71.883   16.238  101.034   7.2533  102.294  171.415   75.992  168.710   75.518 2.704895 107.1348 
1 1 1    3   16   24 o  226.389   62.471  130.345   80.144  150.021   96.506   86.621  143.864  239.604   83.769  213.175   92.699 26.42891 124.9411 
1 1 1    3   16   25 o  294.071   60.086  284.126   92.663  367.364  106.336   21.432  188.905  385.038   73.449  203.105   95.113 181.9335 120.1716 
1 1 1    3   16   26 o  374.826   31.237  288.622   45.690  288.622   45.690   0.0000   0.0000  374.826   31.237  ?   ?       ?      ? 
1 1 1    3   16   27 o  431.696   30.813  385.161   51.909  385.161   51.909   0.0000   0.0000  431.696   30.813  ?   ?       ?      ? 
1 1 1    3   16   28 o  168.022   37.336   72.981   23.370   79.491   23.908 -66.7541  110.767  195.434   31.348  140.611   67.773 54.82330 74.67205 
1 1 1    3   16   29 o  143.869   38.606   43.308   19.302   46.592   19.557 -80.0548  119.878  145.826   34.842  141.912   68.903 3.913635 77.21145 
1 1 1    3   16   30 o  140.337   45.756   16.463   16.193   15.312   16.316   91.634  131.844   92.361   34.165  188.314   84.894 -95.95377 91.51101 
1 1 1    3   16   31 o  129.188   40.568   23.189   17.728   24.352   17.903 -35.6649  127.311  107.657   36.126  150.719   72.649 -43.06141 81.13521 
1 1 1    3   17    0 f  348.306   55.338  273.923   72.808  316.003   90.784  198.074  121.886  394.746   58.933  301.867   93.681 92.87912 110.6768 
1 1 1    3   17    1 o  154.443   40.471   37.658   33.634   56.598   42.303   5.1134   55.453  169.874   55.479  139.012   58.937 30.86182 80.94131 
1 1 1    3   17    2 o  254.312   46.840  139.180   46.809  151.713   60.880  121.060   73.206  268.553   59.644  240.072   72.240 28.48045 93.68071 
1 1 1    3   17    3 o  543.481   51.088  611.168  107.028  735.137  154.612  497.105  148.307  598.934   66.150  488.027   77.873 110.9067 102.1763 
1 1 1    3   17    4 o  296.393   46.988  185.484   52.204  181.247   67.404  191.836   82.525  293.611   60.828  299.174   71.634 -5.562897 93.97604 
1 1 1    3   17    5 o  647.503   55.386  874.460  139.733  825.214  191.377  930.691  204.500  628.182   78.068  666.824   78.587 -38.64191 110.7722 
1 1 1    3   17    6 o  240.189   50.395  102.803   42.983   87.573   48.079  163.434   95.930  204.848   57.689  275.530   82.647 -70.68216 100.7901 
1 1 1    3   17    7 o  478.420   66.349  470.517  123.872  470.517  123.872   0.0000   0.0000  478.420   66.349  ?   ?       ?      ? 
1 1 1    3   17    8 o  126.814   38.596   7.6459   26.108   10.043   28.243  -6.4274   68.441  107.059   43.402  146.569   63.836 -39.51037 77.19278 
1 1 1    3   17    9 o  336.327   56.369  257.951   71.828  290.533   87.238  189.369  126.567  377.621   59.199  295.033   95.944 82.58740 112.7377 
1 1 1    3   17   10 o  457.307   72.376  473.190  126.108  557.695  185.806  401.018  171.713  497.745   99.141  416.870  105.471 80.87476 144.7518 
1 1 1    3   17   11 o  553.372   68.840  688.851  136.275  709.565  168.762  650.033  231.026  581.943   74.313  524.800  115.902 57.14294 137.6794 
1 1 1    3   17   12 o  704.098  100.535  1258.52  266.702  1283.62  380.238  1234.21  374.182  711.517  141.919  696.679  142.438 14.83807 201.0710 
1 1 1    3   17   13 o  303.102   54.758  180.602   66.819  100.931   83.987  317.996  110.292  224.509   78.166  381.696   76.706 -157.1870 109.5165 
1 1 1    3   17   14 o  178.447   48.521   48.201   48.938   13.907   75.892   72.610   64.027  163.072   69.032  193.822   68.204 -30.75029 97.04269 
1 1 1    3   17   15 o  259.378   85.135  148.933   99.569  148.933   99.569   0.0000   0.0000  259.378   85.135  ?   ?       ?      ? 
1 1 1    3   17   16 o  396.988   92.893  373.964  141.358  373.964  141.358   0.0000   0.0000  396.988   92.893  ?   ?       ?      ? 
1 1 1    3   17   17 o  416.286  119.237  473.698  203.614  473.698  203.614   0.0000   0.0000  416.286  119.237  ?   ?       ?      ? 
1 1 1    3   17   18 f  515.327  142.748  845.344  296.935  845.344  296.935   0.0000   0.0000  515.327  142.748  ?   ?       ?      ? 
1 1 1    3   17   19 o  189.649   58.340   17.178   58.378  121.966  152.482  -0.8195   63.193  240.653   99.565  138.645   60.835 102.0089 116.6790 
1 1 1    3   17   20 o  208.750   63.435   29.811   69.104  201.684  175.710  -1.6373   75.161  269.624  108.623  147.876   65.551 121.7471 126.8699 
1 1 1    3   17   21 o  195.408   63.247   24.615   83.109   40.744  212.259   21.695   90.320  222.689  103.108  168.126   73.276 54.56331 126.4932 
1 1 1    3   17   22 o  199.221   59.756   59.041   82.094   7.0900  111.489  120.572  121.332  173.782   78.230  224.661   90.350 -50.87933 119.5118 
1 1 1    3   17   23 o  228.882   76.276  131.540   79.816  131.540   79.816   0.0000   0.0000  228.882   76.276  ?   ?       ?      ? 
1 1 1    3   17   24 o  192.647   71.737   86.282   72.172   86.282   72.172   0.0000   0.0000  192.647   71.737  ?   ?       ?      ? 
1 1 1    3   17   25 o  182.260   56.473   54.111   77.183   80.786   93.617  -2.5013  136.383  189.888   78.236  174.631   81.462 15.25745 112.9468 
1 1 1    3   17   26 o  299.297   61.389  292.979   76.442  304.897   85.788  247.043  168.416  349.514   65.298  249.080  103.974 100.4345 122.7774 
1 1 1    3   17   27 o  300.241   44.883  337.769   45.141  365.031   47.064   24.449  159.551  421.002   28.647  179.480   85.072 241.5215 89.76597 
1 1 1    3   17   28 o  222.098   62.320  127.516   67.401   89.656   75.522  275.709  149.416  184.628   72.228  259.568  101.580 -74.94092 124.6408 
1 1 1    3   17   29 o  163.241   51.252   44.474   53.658   42.850   58.697   52.732  132.370  149.419   61.793  177.062   81.785 -27.64284 102.5045 
1 1 1    3   17   30 o  131.203   44.374  -3.3608   42.168   4.8994   43.938 -99.7437  150.086  114.050   50.359  148.356   73.076 -34.30624 88.74764 
1 1 1    3   18    0 o  607.387   73.785  885.555  158.562  1104.15  206.677  572.822  247.210  729.030   72.647  485.744  128.449 243.2860 147.5693 
1 1 1    3   18    1 o  487.941   63.916  506.665  109.380  488.827  130.599  548.576  200.182  486.598   68.776  489.285  107.754 -2.687500 127.8325 
1 1 1    3   18    2 o  368.052   53.535  307.507   74.776  400.180   99.259  185.896  113.705  443.987   57.288  292.116   90.454 151.8712 107.0698 
1 1 1    3   18    3 o  611.134   56.714  788.375  134.726  809.333  184.471  764.418  197.230  622.172   75.978  600.096   84.221 22.07538 113.4274 
1 1 1    3   18    4 o  693.478   60.068  1023.28  161.294  1181.08  231.506  874.425  224.848  749.237   79.179  637.718   90.350 111.5191 120.1353 
1 1 1    3   18    5 o  627.140   56.302  825.818  137.317  794.536  185.408  863.824  204.366  615.423   77.201  638.857   81.973 -23.43439 112.6037 
1 1 1    3   18    6 o  574.167   70.530  726.120  140.589  716.958  168.202  747.359  256.091  586.291   73.517  562.042  120.387 24.24890 141.0592 
1 1 1    3   18    7 o  474.196   67.309  464.577  124.555  464.577  124.555   0.0000   0.0000  474.196   67.309  ?   ?       ?      ? 
1 1 1    3   18    8 o  840.834   95.724  1710.32  282.252  1702.10  343.826  1727.30  494.269  876.828  100.483  804.841  162.959 71.98688 191.4485 
1 1 1    3   18    9 o  753.260   84.552  1297.26  223.344  1240.33  268.486  1425.14  402.439  755.145   91.109  751.375  142.463 3.770020 169.1049 
1 1 1    3   18   10 o  325.933   65.988  241.205   88.388  255.557  122.798  225.776  127.322  336.080   91.272  315.787   95.326 20.29361 131.9760 
1 1 1    3   18   11 o  532.144   69.906  680.754  133.565  790.487  169.953  503.511  215.996  613.036   71.041  451.251  120.419 161.7844 139.8129 
1 1 1    3   18   12 o  458.110   79.102  510.847  140.307  483.314  199.426  537.833  197.438  443.271  114.485  472.949  109.187 -29.67767 158.2043 
1 1 1    3   18   13 o  201.483   45.108   27.117   52.893 -91.5035   69.955  185.446   80.820  113.560   54.510  289.405   71.885 -175.8450 90.21521 
1 1 1    3   18   14 o  304.775   86.740  216.696  108.104  216.696  108.104   0.0000   0.0000  304.775   86.740  ?   ?       ?      ? 
1 1 1    3   18   15 o  269.107   87.817  169.178  105.999  169.178  105.999   0.0000   0.0000  269.107   87.817  ?   ?       ?      ? 
1 1 1    3   18   16 o  485.685   95.187  578.393  173.961  578.393  173.961   0.0000   0.0000  485.685   95.187  ?   ?       ?      ? 
1 1 1    3   18   17 o  285.832   98.465  211.698  133.102  211.698  133.102   0.0000   0.0000  285.832   98.465  ?   ?       ?      ? 
1 1 1    3   18   18 o  394.237  111.906  450.356  180.176  450.356  180.176   0.0000   0.0000  394.237  111.906  ?   ?       ?      ? 
1 1 1    3   18   19 o  130.075   47.547 -143.7578   46.617 -34.3606  158.893 -154.0612   48.763  188.513   87.935   71.638   36.197 116.8753 95.09337 
1 1 1    3   18   20 o  232.693  105.110   96.578  203.286   96.578  203.286   0.0000   0.0000  232.693  105.110  ?   ?       ?      ? 
1 1 1    3   18   21 o  197.624   94.334 -57.3522  203.261 -57.3522  203.261   0.0000   0.0000  197.624   94.334  ?   ?       ?      ? 
1 1 1    3   18   22 o  238.913  110.613  126.712  244.225  126.712  244.225   0.0000   0.0000  238.913  110.613  ?   ?       ?      ? 
1 1 1    3   18   23 o  211.234   59.871   88.363   64.944   59.799   73.977  184.367  135.625  174.944   70.481  247.524   96.803 -72.58022 119.7428 
1 1 1    3   18   24 o  162.657   49.305   30.013   61.602   79.850   70.663 -127.7995  125.742  184.089   70.437  141.226   69.011 42.86327 98.60974 
1 1 1    3   18   25 o  233.867   61.946  159.349   68.528  146.889   76.932  207.212  150.784  229.857   74.804  237.876   98.761 -8.018860 123.8924 
1 1 1    3   18   26 o  128.059   42.821 -27.1492   51.599  -6.6308   58.507 -98.9780  109.467  123.096   55.917  133.021   64.868 -9.925583 85.64198 
1 1 1    3   18   27 o  133.350   44.810 -23.4783   54.244 -11.0561   60.601 -73.5433  121.659  122.543   56.139  144.158   69.858 -21.61512 89.61968 
1 1 1    3   18   28 o  165.877   44.682   55.156   21.160   56.035   21.361   9.0018  154.775  159.818   35.201  171.936   82.140 -12.11740 89.36491 
1 1 1    3   18   29 o  153.228   47.700   38.855   54.075   66.159   56.838 -221.6086  175.549  163.926   63.065  142.529   71.582 21.39703 95.40040 
1 1 1    3   19    0 o  334.650   60.916  252.380   75.217  262.304   88.484  226.527  142.812  351.425   66.966  317.876  101.777 33.54910 121.8317 
1 1 1    3   19    1 o  746.013   85.719  1299.79  223.926  1298.52  272.030  1302.48  394.376  775.375   89.903  716.651  145.975 58.72412 171.4383 
1 1 1    3   19    2 o  364.827   56.740  292.514   76.232  298.421   95.447  282.108  126.683  375.009   67.713  354.645   91.065 20.36407 113.4806 
1 1 1    3   19    3 o  308.281   52.768  232.269   68.546  309.633   83.573   73.244  119.821  390.548   54.835  226.014   90.171 164.5341 105.5353 
1 1 1    3   19    4 o  313.903   70.400  225.796   97.377  256.030  120.637  169.262  164.963  337.916   89.908  289.890  108.355 48.02557 140.7990 
1 1 1    3   19    5 o  422.245   67.045  425.644  101.637  465.609  120.264  325.766  190.121  474.778   64.910  369.712  117.331 105.0661 134.0892 
1 1 1    3   19    6 o  372.680   61.668  285.739   89.687  285.739   89.687   0.0000   0.0000  372.680   61.668  ?   ?       ?      ? 
1 1 1    3   19    7 o  147.659   45.948 -25.5532   15.878 -28.6822   16.051  117.393  108.489   51.259   24.962  244.060   88.441 -192.8012 91.89619 
1 1 1    3   19    8 o  297.627   59.845  196.206   66.226  198.858   75.556  187.411  137.577  304.128   65.591  291.127  100.118 13.00113 119.6900 
1 1 1    3   19    9 o  226.674   56.890   97.513   54.593   95.739   61.018  104.630  122.222  213.114   66.308  240.234   92.463 -27.12079 113.7809 
1 1 1    3   19   10 o  613.284   78.593  814.688  188.094  814.688  188.094   0.0000   0.0000  613.284   78.593  ?   ?       ?      ? 
1 1 1    3   19   11 o  194.123   52.635   64.775   53.698   70.760   64.734   51.571   96.151  191.417   68.448  196.829   79.979 -5.411880 105.2699 
1 1 1    3   19   12 f  303.175   96.411  220.425  128.317   0.0000   0.0000  220.425  128.317  ?   ?   303.175   96.411      ?      ? 
1 1 1    3   19   13 o  483.582   72.739  561.127  127.849  511.933  157.536  656.034  218.814  465.276   90.019  501.888  114.281 -36.61298 145.4771 
1 1 1    3   19   14 o  254.984   85.357  152.326   99.941  152.326   99.941   0.0000   0.0000  254.984   85.357  ?   ?       ?      ? 
1 1 1    3   19   15 o  130.721   61.935 -76.3928   84.395 -76.3928   84.395   0.0000   0.0000  130.721   61.935  ?   ?       ?      ? 
1 1 1    3   19   16 o  204.534   85.813   65.958  115.590   65.958  115.590   0.0000   0.0000  204.534   85.813  ?   ?       ?      ? 
1 1 1    3   19   17 o  772.294  141.098  1971.60  409.572  1971.60  409.572   0.0000   0.0000  772.294  141.098  ?   ?       ?      ? 
1 1 1    3   19   18 o  222.827   95.932   96.856  151.015   96.856  151.015   0.0000   0.0000  222.827   95.932  ?   ?       ?      ? 
1 1 1    3   19   19 o  258.122  112.655  191.104  214.148  191.104  214.148   0.0000   0.0000  258.122  112.655  ?   ?       ?      ? 
1 1 1    3   19   20 o  249.077   74.964  135.452  100.489  310.255  247.165  100.836  109.990  286.408  123.007  211.747   85.718 74.66040 149.9272 
1 1 1    3   19   21 f  271.558   73.366  244.130  137.450 -123.1173  274.152  367.440  158.859  204.087  100.177  339.029  107.215 -134.9414 146.7327 
1 1 1    3   19   22 o  183.317   60.207   23.112   90.202 -166.0576  247.386   52.119   96.871  187.355   92.575  179.278   77.002 8.076797 120.4139 
1 1 1    3   19   23 o  166.798   52.127   21.663   65.821 -20.1131   84.375   86.610  105.203  140.450   65.022  193.145   81.493 -52.69530 104.2548 
1 1 1    3   19   24 f  157.927   51.193  -3.8470   65.588 -41.9254   79.107   79.889  117.310  127.582   60.303  188.272   82.742 -60.68993 102.3853 
1 1 1    3   19   25 o  231.819   62.491  163.422   70.394  145.985   79.491  226.796  151.542  224.480   76.120  239.158   99.127 -14.67810 124.9816 
1 1 1    3   19   26 o  205.180   61.000  113.524   69.950   96.055   77.415  191.215  163.260  188.676   73.316  221.684   97.514 -33.00737 122.0009 
1 1 1    3   19   27 o  179.969   55.217   77.788   75.072  111.736   84.240 -53.2138  165.481  196.550   76.451  163.388   79.693 33.16212 110.4342 
1 1 1    3   19   28 o  133.264   48.174 -177.1980   79.339 -210.3085   87.773 -29.3292  185.488   97.515   49.186  169.014   82.848 -71.49872 96.34814 
1 1 1    3   20    0 o  547.647   87.578  740.907  182.656  740.931  252.967  740.881  264.015  550.332  121.077  544.963  126.568 5.368774 175.1552 
1 1 1    3   20    1 o  525.005   70.409  579.148  144.252  579.148  144.252   0.0000   0.0000  525.005   70.409  ?   ?       ?      ? 
1 1 1    3   20    2 o  445.245   69.552  504.984  114.535  592.633  138.097  311.821  205.010  533.021   66.391  357.468  122.239 175.5535 139.1047 
1 1 1    3   20    3 o  146.725   50.034 -38.9679   42.192 -37.0466   43.950 -61.5562  150.695   99.892   46.479  193.558   88.618 -93.66602 100.0674 
1 1 1    3   20    4 o  210.645   62.373   55.411   72.712   73.066   79.066 -41.3835  185.131  201.817   75.098  219.473   99.609 -17.65646 124.7463 
1 1 1    3   20    5 o  596.221   75.736  731.042  140.513  657.132  156.381  1040.79  320.138  556.472   72.012  635.969  133.259 -79.49683 151.4720 
1 1 1    3   20    6 o  234.776   64.442  119.267   60.833  119.267   60.833   0.0000   0.0000  234.776   64.442  ?   ?       ?      ? 
1 1 1    3   20    7 o  409.681   66.871  354.801  106.910  354.801  106.910   0.0000   0.0000  409.681   66.871  ?   ?       ?      ? 
1 1 1    3   20    8 o  641.468   79.874  904.485  199.945  904.485  199.945   0.0000   0.0000  641.468   79.874  ?   ?       ?      ? 
1 1 1    3   20    9 o  143.524   59.225   18.612   53.752   18.612   53.752   0.0000   0.0000  143.524   59.225  ?   ?       ?      ? 
1 1 1    3   20   10 o  473.591   73.697  492.188  136.203  492.188  136.203   0.0000   0.0000  473.591   73.697  ?   ?       ?      ? 
1 1 1    3   20   11 o  319.788   76.568  236.007   94.286  236.007   94.286   0.0000   0.0000  319.788   76.568  ?   ?       ?      ? 
1 1 1    3   20   12 o  317.697   69.499  237.418  102.475  408.739  157.691  112.183  134.823  398.425  101.220  236.969   95.261 161.4561 138.9972 
1 1 1    3   20   13 f  362.886   70.343  350.344  102.556  369.675  132.230  321.161  162.468  386.012   89.519  339.759  108.531 46.25290 140.6860 
1 1 1    3   20   14 o  197.509   57.339   58.187   72.677   12.087  101.698  106.303  103.899  174.209   76.784  220.810   85.177 -46.60155 114.6774 
1 1 1    3   20   15 o  238.138   93.653  136.249  127.543  136.249  127.543   0.0000   0.0000  238.138   93.653  ?   ?       ?      ? 
1 1 1    3   20   16 o  363.070  128.867  477.568  229.050  477.568  229.050   0.0000   0.0000  363.070  128.867  ?   ?       ?      ? 
1 1 1    3   20   17 o  181.998   84.489 -22.7131  143.899 -22.7131  143.899   0.0000   0.0000  181.998   84.489  ?   ?       ?      ? 
1 1 1    3   20   18 o  211.365   61.216   96.225   82.857   28.167  142.572  130.935  101.817  194.679   87.974  228.050   85.149 -33.37082 122.4328 
1 1 1    3   20   19 o  290.524   74.148  267.252  107.828  259.826  161.162  273.270  145.085  283.874  106.904  297.174  102.778 -13.30029 148.2961 
1 1 1    3   20   20 o  211.158   61.926   99.459   89.150   10.708  141.420  157.986  114.843  184.613   85.010  237.703   90.072 -53.08977 123.8530 
1 1 1    3   20   21 o  229.786   73.004  140.454  114.291  232.257  285.964  123.002  124.683  244.510  115.289  215.061   89.591 29.44850 146.0073 
1 1 1    3   20   22 o  220.143   69.361  153.564  119.833   54.986  273.861  176.908  133.268  208.442  101.854  231.843   94.177 -23.40065 138.7214 
1 1 1    3   20   23 o  222.518   91.918  166.646  129.668   0.0000   0.0000  166.646  129.668  ?   ?   222.518   91.918      ?      ? 
1 1 1    3   20   24 o  227.155   62.692  174.171   82.853  212.323  112.396  128.768  122.614  249.814   90.097  204.496   87.199 45.31845 125.3841 
1 1 1    3   20   25 o  158.871   51.455   3.1757   74.897   79.147  105.346 -74.4770  106.505  182.082   79.252  135.660   65.648 46.42226 102.9104 
1 1 1    3   20   26 o  158.188   52.016   15.715   74.610   37.414   86.355 -48.1798  148.180  157.989   70.138  158.387   76.834 -0.3978882 104.0325 
1 1 1    3   20   27 o  199.784   68.139  151.828  159.786  102.793  231.781  196.237  220.578  192.501   93.986  207.068   98.683 -14.56703 136.2785 
1 1 1    3   21    0 o  484.777   71.929  525.258  117.674  488.454  135.246  639.929  238.728  475.802   72.839  493.752  124.054 -17.94946 143.8571 
1 1 1    3   21    1 o  392.941   70.258  372.347   98.996  378.737  112.859  351.022  206.161  421.130   68.673  364.752  122.592 56.37851 140.5164 
1 1 1    3   21    2 o  199.939   59.423   42.162   74.809   44.493   90.748   37.218  132.154  189.132   77.371  210.746   90.212 -21.61436 118.8463 
1 1 1    3   21    3 o  266.859   59.687   67.910   50.885   33.714   53.842  353.873  155.699  154.676   60.843  379.043  102.705 -224.3664 119.3741 
1 1 1    3   21    4 o  427.668  114.164  471.833  194.098   0.0000   0.0000  471.833  194.098  ?   ?   427.668  114.164      ?      ? 
1 1 1    3   21    5 o  325.333   63.866  246.725   75.788  244.420   86.220  254.558  158.947  332.237   68.767  318.430  107.640 13.80753 127.7311 
1 1 1    3   21    6 o  368.573   70.756  302.496   98.069  302.496   98.069   0.0000   0.0000  368.573   70.756  ?   ?       ?      ? 
1 1 1    3   21    7 o  204.766   57.576   62.822   48.716   58.662   51.697   95.802  145.568  173.017   61.243  236.516   97.515 -63.49808 115.1516 
1 1 1    3   21    8 o  262.505   60.117  173.699   69.922  199.340   77.088   54.703  166.068  297.571   67.885  227.439   99.236 70.13158 120.2342 
1 1 1    3   21    9 o  201.271   59.365   58.536   74.925   74.440   89.410   21.031  137.307  201.131   78.615  201.411   88.974 -0.2800598 118.7295 
1 1 1    3   21   10 o  180.399   55.686   18.987   73.598   49.789   88.788 -48.6512  131.571  185.645   76.305  175.154   81.127 10.49078 111.3728 
1 1 1    3   21   11 o  148.244   49.341 -58.3439   67.788 -51.8446   81.207 -73.2817  123.114  134.759   62.862  161.728   76.070 -26.96898 98.68272 
1 1 1    3   21   12 o  149.204   49.738 -76.7908   75.890 -118.0794  107.961 -36.4615  106.700  138.759   66.888  159.648   73.632 -20.88882 99.47673 
1 1 1    3   21   13 o  231.691   65.478   98.052   91.151  221.230  146.289   19.881  116.538  279.704  102.494  183.678   81.513 96.02660 130.9553 
1 1 1    3   21   14 o  167.251   52.988  -1.4017   71.693   32.415  104.719 -31.2355   98.359  181.042   78.903  153.461   70.749 27.58096 105.9766 
1 1 1    3   21   15 o  332.324   74.940  312.610  114.709  183.603  148.132  505.834  181.290  256.052  100.855  408.596  110.872 -152.5442 149.8810 
1 1 1    3   21   16 o  210.029   60.568   63.607   89.295 -76.0216  130.374  186.986  122.553  160.801   76.416  259.257   93.991 -98.45547 121.1354 
1 1 1    3   21   17 o  300.693   75.675  287.596  113.055  234.281  156.462  345.846  163.542  273.892  104.809  327.495  109.187 -53.60349 151.3492 
1 1 1    3   21   18 o  316.370   78.423  341.683  120.310  302.309  167.969  383.164  172.404  297.306  109.690  335.433  112.110 -38.12756 156.8456 
1 1 1    3   21   19 o  149.487   72.034 -92.7134  124.945 -92.7134  124.945   0.0000   0.0000  149.487   72.034  ?   ?       ?      ? 
1 1 1    3   21   20 o  270.237   76.765  263.178  117.065  399.834  205.819  197.827  142.330  298.094  118.415  242.379   97.722 55.71545 153.5307 
1 1 1    3   21   21 o  198.270   61.751   94.110  101.555 -94.4913  203.244  156.866  117.239  173.965   85.564  222.574   89.059 -48.60925 123.5017 
1 1 1    3   21   22 o  271.492   76.386  337.139  140.161  134.585  210.504  498.459  187.859  208.120   98.371  334.863  116.886 -126.7425 152.7717 
1 1 1    3   21   23 o  186.325   61.662   64.537  106.008 -16.1981  236.388   84.860  118.602  185.858   91.580  186.791   82.595 -0.9327545 123.3241 
1 1 1    3   21   24 o  123.021   60.747 -135.8576  105.919 -135.8576  105.919   0.0000   0.0000  123.021   60.747  ?   ?       ?      ? 
1 1 1    3   21   25 o  189.059   63.088   83.371  118.596   93.805  200.281   77.736  147.173  193.219   92.610  184.898   85.697 8.321518 126.1768 
1 1 1    3   21   26 f  569.852   75.738  1858.47  218.545  2149.73  257.489  1108.09  413.295  867.823   76.032  271.882  131.012 595.9404 151.4757 
1 1 1    3   22    0 o  162.938   53.203 -55.7706   63.392 -82.4656   71.592   41.146  136.410  116.611   55.752  209.266   90.631 -92.65466 106.4063 
1 1 1    3   22    1 o  222.657   65.902   75.671   90.414   71.268  108.433   85.716  163.784  208.750   84.891  236.565  100.825 -27.81540 131.8031 
1 1 1    3   22    2 o  178.141   56.687  -8.3246   69.566 -19.9909   79.152   31.278  145.835  146.365   65.899  209.917   92.255 -63.55232 113.3739 
1 1 1    3   22    3 o  359.324   72.279  291.838  103.781  190.319  125.195  514.837  185.551  277.449   95.501  441.200  108.520 -163.7509 144.5574 
1 1 1    3   22    4 o  403.599   77.859  425.929  124.844  344.890  160.518  550.005  198.618  358.075  106.796  449.123  113.325 -91.04733 155.7179 
1 1 1    3   22    5 o  417.253  118.305  498.238  201.488   0.0000   0.0000  498.238  201.488  ?   ?   417.253  118.305      ?      ? 
1 1 1    3   22    6 o  148.186   63.860   9.6365   67.052   9.6365   67.052   0.0000   0.0000  148.186   63.860  ?   ?       ?      ? 
1 1 1    3   22    7 o  200.816   59.642   3.2588   45.482 -15.6001   47.353  227.903  163.432  113.265   50.986  288.368  107.838 -175.1037 119.2841 
1 1 1    3   22    8 o  142.401   50.738 -60.5887   35.490 -64.6272   36.347   22.039  164.409   75.700   37.015  209.102   94.483 -133.4025 101.4751 
1 1 1    3   22    9 o  214.456   64.079   76.431   83.558   64.950   97.388  108.463  162.672  194.857   79.982  234.055  100.136 -39.19800 128.1578 
1 1 1    3   22   10 o  117.277   41.737 -129.8289   54.288 -117.5899   59.334 -192.7411  134.523   91.903   45.397  142.650   70.051 -50.74722 83.47493 
1 1 1    3   22   11 o  250.848   67.419  159.992   84.391  156.391   96.831  171.368  172.111  247.832   84.013  253.865  105.466 -6.032883 134.8379 
1 1 1    3   22   12 o  296.935   73.683  261.464  102.925  258.257  123.470  268.765  186.333  305.146   94.221  288.725  113.309 16.42172 147.3650 
1 1 1    3   22   13 o  159.716   52.725 -79.9237   84.726   35.989  121.014 -191.3769  118.663  188.938   83.493  130.495   64.411 58.44232 105.4508 
1 1 1    3   22   14 o  259.784   74.500  201.252  119.398  159.568  189.888  228.508  153.550  245.477  106.622  274.092  104.081 -28.61440 149.0001 
1 1 1    3   22   15 o  198.598   64.013   27.993  111.793 -58.3510  182.569   79.788  141.402  187.867   89.601  209.329   91.446 -21.46216 128.0263 
1 1 1    3   22   16 o  229.695   71.996  128.584  131.122   48.745  216.268  174.990  164.883  215.727  101.261  243.663  102.373 -27.93626 143.9929 
1 1 1    3   22   17 o  269.943   80.696  288.904  151.665  214.257  246.649  334.289  192.321  246.903  113.164  292.984  115.072 -46.08099 161.3927 
1 1 1    3   22   18 o  175.526   57.879   5.2162   95.526  -3.0397  154.137   10.365  121.721  179.857   84.755  171.195   78.844 8.661743 115.7579 
1 1 1    3   22   19 o  204.981   63.598  104.128   95.553  175.647  152.554   57.954  122.577  226.786   96.998  183.176   82.283 43.60992 127.1966 
1 1 1    3   22   20 o  244.124   71.250  230.887  110.637  300.116  164.086  173.177  149.814  266.755  105.805  221.493   95.453 45.26199 142.4993 
1 1 1    3   22   21 o  159.477   53.265  -8.8218   86.258 -111.3942  164.282   30.220  101.354  156.025   76.776  162.928   73.850 -6.901993 106.5291 
1 1 1    3   22   22 o  155.005   52.700 -29.1916   86.371 -119.7049  180.914  -2.4711   98.297  159.851   79.019  150.160   69.749 9.690521 105.3991 
1 1 1    3   22   23 o  163.137   55.578 -32.7148   88.376  102.237  170.923 -81.9585  103.249  194.816   90.985  131.457   63.854 63.35902 111.1558 
1 1 1    3   22   24 o  342.696   85.574  493.454  172.966   53.468  211.751  1375.65  299.839  186.079   90.626  499.313  145.183 -313.2332 171.1471 
1 1 1    3   23    0 o  218.964   65.986   83.091   92.883   91.441  108.186   59.680  181.156  213.147   85.457  224.782  100.566 -11.63547 131.9715 
1 1 1    3   23    1 o  322.586   84.009  316.882  135.049  282.410  168.075  379.682  226.859  309.887  110.347  335.285  126.704 -25.39764 168.0188 
1 1 1    3   23    2 o  246.798   69.220  142.204   94.673  126.044  115.218  175.792  166.109  232.690   89.714  260.907  105.437 -28.21655 138.4399 
1 1 1    3   23    3 o  395.261   78.653  430.988  127.397  304.792  162.304  633.520  205.615  322.084  108.771  468.438  113.640 -146.3536 157.3064 
1 1 1    3   23    4 o  180.402   58.096 -37.4148   60.653 -66.6166   65.270  147.366  164.187  112.917   53.777  247.887  102.998 -134.9691 116.1920 
1 1 1    3   23    5 o  306.778   76.711  271.590  110.936  245.016  137.277  321.611  188.338  295.616  100.033  317.941  116.327 -22.32523 153.4225 
1 1 1    3   23    6 o  231.541   88.205  129.645  110.504  129.645  110.504   0.0000   0.0000  231.541   88.205  ?   ?       ?      ? 
1 1 1    3   23    7 o  215.314   60.361  104.620   69.351  123.106   74.436 -16.9699  190.901  226.164   73.580  204.464   95.706 21.70004 120.7213 
1 1 1    3   23    8 o  255.314   66.207  164.256   74.985  161.257   81.964  179.656  185.716  254.662   76.396  255.965  108.152 -1.302750 132.4134 
1 1 1    3   23    9 o  169.300   54.837  -0.5644   74.274   33.214   81.511 -165.8576  180.310  167.595   71.271  171.006   83.360 -3.411270 109.6745 
1 1 1    3   23   10 o  189.255   59.388   40.798   73.222   42.577   81.073   32.926  170.559  171.876   71.976  206.634   94.485 -34.75746 118.7767 
1 1 1    3   23   11 o  334.796   75.005  360.193  112.081  378.813  131.229  309.985  215.488  375.797   90.553  293.794  119.595 82.00226 150.0095 
1 1 1    3   23   12 o  122.629   43.565 -164.3033   66.758 -153.2129   75.135 -205.8851  145.485  100.487   49.892  144.771   71.432 -44.28402 87.13077 
1 1 1    3   23   13 o  176.801   57.959 -10.9361   87.059 -28.3606  104.116   29.562  158.730  155.603   72.105  198.000   90.761 -42.39714 115.9171 
1 1 1    3   23   14 o  181.788   58.705   6.2851   96.381   69.277  122.727 -95.0829  155.685  196.918   85.624  166.658   80.333 30.25945 117.4091 
1 1 1    3   23   15 o  253.072   71.994  207.837  118.336  305.365  158.377   84.578  178.049  295.188  106.875  210.956   96.489 84.23198 143.9874 
1 1 1    3   23   16 o  241.704   73.150  208.812  124.568  247.132  169.788  164.138  183.323  256.400  105.468  227.009  101.392 29.39032 146.3006 
1 1 1    3   23   17 o  242.650   69.005  144.128  114.522 -58.1210  150.488  422.424  176.528  163.573   78.880  321.728  113.245 -158.1546 138.0094 
1 1 1    3   23   18 o  265.312   76.421  307.047  123.681  270.234  164.681  354.676  187.320  254.665  104.208  275.958  111.810 -21.29359 152.8426 
1 1 1    3   23   19 o  158.994   53.053 -21.7296   88.643 -105.5506  133.106   45.071  118.826  144.167   70.565  173.820   79.240 -29.65279 106.1060 
1 1 1    3   23   20 o  158.587   53.893 -44.5866   90.613   50.206  152.332 -96.4939  112.724  182.335   85.394  134.838   65.769 47.49675 107.7859 
1 1 1    3   23   21 o  180.677   59.448   55.549   99.285   47.780  169.273   59.624  122.586  183.636   87.211  177.717   80.811 5.918640 118.8956 
1 1 1    3   23   22 o  142.320   49.281 -61.8139   77.880 -99.2190  168.077 -51.5872   87.884  156.216   77.022  128.423   61.499 27.79315 98.56233 
1 1 1    3   23   23 o  174.013   57.202   57.473   92.183   6.3551  174.754   77.181  108.508  171.424   83.223  176.602   78.500 -5.177048 114.4042 
1 1 1    3   24    0 o  373.062   81.093  408.806  115.258  375.398  128.947  541.568  257.054  378.404   88.842  367.720  135.690 10.68454 162.1867 
1 1 1    3   24    1 o  262.269   71.509  162.325   79.141  148.443   84.256  266.361  230.659  243.345   78.202  281.194  119.743 -37.84837 143.0178 
1 1 1    3   24    2 o  389.386   98.266  600.108  183.618  548.173  223.102  709.141  323.263  394.140  127.316  384.633  149.719 9.506927 196.5327 
1 1 1    3   24    3 o  330.121   70.723  316.204   94.628  316.693  108.565  314.659  193.047  355.169   80.224  305.072  116.496 50.09689 141.4465 
1 1 1    3   24    4 o  175.226   56.500 -98.0874   60.561 -148.2499   65.606  190.982  157.491   91.976   45.823  258.476  103.293 -166.4999 113.0008 
1 1 1    3   24    5 o  231.032   70.302   82.348   90.573   41.795  100.141  264.646  212.320  181.445   78.118  280.619  116.907 -99.17340 140.6044 
1 1 1    3   24    6 o  151.324   53.944 -182.7724   60.492 -216.9835   64.214   86.945  180.303   79.170   40.172  223.477  100.131 -144.3062 107.8886 
1 1 1    3   24    7 o  213.687   63.692   92.357   74.704   94.333   80.657   80.434  198.134  202.621   75.760  224.754  102.407 -22.13315 127.3842 
1 1 1    3   24    8 o  187.609   59.509   36.484   63.787   32.016   67.978   69.401  184.504  157.278   65.888  217.940   99.116 -60.66127 119.0176 
1 1 1    3   24    9 o  285.510   70.007  262.484  101.289  291.824  113.359  146.310  225.572  329.418   86.920  241.602  109.768 87.81618 140.0142 
1 1 1    3   24   10 o  168.008   55.909  -9.0478   70.810  -4.3373   76.647 -36.4867  184.990  144.589   64.998  191.427   90.987 -46.83806 111.8179 
1 1 1    3   24   11 o  173.011   57.104   1.3146   76.570   5.7158   84.198 -19.7275  184.102  153.500   68.626  192.523   91.292 -39.02240 114.2090 
1 1 1    3   24   12 o  175.069   57.502   5.5177   87.326   29.811   99.095 -78.9239  184.752  170.587   75.460  179.550   86.785 -8.963501 115.0039 
1 1 1    3   24   13 o  178.267   59.283 -68.3181   91.405 -160.2929  107.378  173.698  174.181  123.887   61.172  232.646  101.567 -108.7597 118.5658 
1 1 1    3   24   14 o  198.519   63.565   49.644   94.916 -14.9051  112.174  212.365  178.102  157.965   73.752  239.073  103.549 -81.10721 127.1294 
1 1 1    3   24   15 o  165.878   53.481   0.5499   84.473   86.910  104.022 -166.6827  144.753  189.561   80.561  142.195   70.362 47.36656 106.9620 
1 1 1    3   24   16 o  160.596   52.031 -12.1735   80.507   88.071  106.442 -146.1747  123.066  188.359   80.804  132.833   65.571 55.52647 104.0618 
1 1 1    3   24   17 o  158.423   52.634 -13.6914   85.089   40.939  113.855 -82.8056  128.062  170.976   77.797  145.869   70.915 25.10690 105.2678 
1 1 1    3   24   18 o  167.607   55.619   8.9233   93.157   52.752  129.296 -38.3895  134.337  178.145   81.754  157.069   75.432 21.07607 111.2373 
1 1 1    3   24   19 o  184.383   59.618   65.605   98.363  127.386  135.897  -2.3778  142.554  201.824   88.868  166.941   79.497 34.88292 119.2367 
1 1 1    3   24   20 o  158.142   53.336 -15.2998   90.874 -17.3875  138.473 -13.7205  120.438  160.982   77.118  155.302   73.699 5.679886 106.6713 
1 1 1    3   24   21 o  184.737   59.877   81.534  102.374 -14.3329  160.096  147.851  133.156  165.616   80.228  203.858   88.906 -38.24153 119.7532 
1 1 1    3   25    0 o  228.387   65.011  134.807   94.254  178.012  105.947 -29.1537  206.389  255.331   87.855  201.442   95.851 53.88954 130.0229 
1 1 1    3   25    1 o  293.616   83.235  312.393  146.226  366.638  208.759  260.143  204.885  312.777  120.713  274.456  114.632 38.32031 166.4699 
1 1 1    3   25    2 o  239.801   68.750  143.541  101.898   71.155  135.397  238.090  154.743  204.364   89.375  275.237  104.492 -70.87280 137.5006 
1 1 1    3   25    3 o  148.207   47.545 -24.2756   62.894 -102.1567   97.099   32.018   82.552  130.704   63.113  165.709   71.126 -35.00478 95.09051 
1 1 1    3   25    4 o  259.849   63.831  194.066   83.990  124.280  132.059  241.471  108.841  223.709   92.614  295.989   87.864 -72.28076 127.6616 
1 1 1    3   25    5 o  219.361   90.278  118.200  124.482  118.200  124.482   0.0000   0.0000  219.361   90.278  ?   ?       ?      ? 
1 1 1    3   25    6 o  273.715   74.680  248.362  117.472  309.873  158.988  174.407  174.330  304.731  107.450  242.698  103.744 62.03337 149.3591 
1 1 1    3   25    7 o  201.013   60.544   85.094   81.692  111.899   91.302 -22.5079  182.931  211.020   80.227  191.006   90.697 20.01459 121.0878 
1 1 1    3   25    8 o  203.130   63.701   70.358  107.252  137.604  126.430 -102.2462  202.555  224.132   91.464  182.127   88.687 42.00497 127.4014 
1 1 1    3   25    9 o  183.927   58.896   43.082   77.399   45.518   85.749   32.371  179.811  170.194   72.756  197.660   92.637 -27.46593 117.7921 
1 1 1    3   25   10 o  135.227   48.100 -104.2070   65.233 -97.9117   69.737 -148.2768  184.512  105.276   51.433  165.178   81.297 -59.90155 96.20050 
1 1 1    3   25   11 o  117.733   42.567 -167.9444   63.143 -159.0379   68.683 -216.5766  160.493   91.093   45.611  144.372   71.885 -53.27869 85.13395 
1 1 1    3   25   12 o  172.857   56.417   29.272   79.545   30.725   90.881   24.515  164.469  161.521   71.817  184.192   87.027 -22.67021 112.8335 
1 1 1    3   25   13 o  155.492   53.285 -71.4064  100.218 -52.0435  135.601 -94.7132  148.771  156.718   75.398  154.266   75.314 2.452545 106.5693 
1 1 1    3   25   14 o  116.757   40.924 -121.4998   64.206 -72.4244   72.248 -305.8471  140.028  112.270   54.267  121.244   61.271 -8.973763 81.84763 
1 1 1    3   25   15 o  142.326   48.295 -46.6237   74.582 -11.5422   86.735 -146.1561  146.096  141.215   65.570  143.437   70.925 -2.221725 96.59029 
1 1 1    3   25   16 o  189.085   60.652   83.068   94.366   66.722  119.281  110.412  154.277  180.208   81.040  197.962   90.263 -17.75409 121.3049 
1 1 1    3   25   17 o  170.301   55.888   32.184   88.868   40.799  118.817   21.246  133.886  170.873   78.400  169.730   79.671 1.142929 111.7766 
1 1 1    3   25   18 f  170.990   54.433   4.1494   86.401  156.756  118.819 -167.0925  125.865  213.111   88.007  128.870   64.083 84.24103 108.8665 
1 1 1    3   25   19 o  116.165   58.295 -209.4344  115.280 -209.4344  115.280   0.0000   0.0000  116.165   58.295  ?   ?       ?      ? 
1 1 1    3   26    0 o  316.855  100.668  324.838  139.924  324.838  139.924   0.0000   0.0000  316.855  100.668  ?   ?       ?      ? 
1 1 1    3   26    1 o  425.737   74.943  724.431  162.216  952.971  204.252  334.047  266.951  585.387   89.411  266.086  120.298 319.3018 149.8866 
1 1 1    3   26    2 o  262.615   61.864  222.745   90.682  301.225  108.650   42.549  164.634  329.544   84.181  195.685   90.676 133.8587 123.7279 
1 1 1    3   26    3 o  237.112   64.831  152.817   75.305  132.601   85.283  224.362  160.438  221.299   78.625  252.925  103.103 -31.62611 129.6615 
1 1 1    3   26    4 o  195.359   57.823   89.735   71.442  106.872   80.100   23.077  157.976  203.292   75.599  187.427   87.513 15.86481 115.6451 
1 1 1    3   26    5 o  173.175   70.915   61.700   76.334   61.700   76.334   0.0000   0.0000  173.175   70.915  ?   ?       ?      ? 
1 1 1    3   26    6 o  290.942   69.561  316.508  105.698  362.958  125.733  204.595  195.164  347.036   91.528  234.848  104.775 112.1877 139.1226 
1 1 1    3   26    7 o  146.782   51.021 -122.1174   80.236 -176.1833   93.673   26.841  155.483  109.728   54.681  183.837   86.153 -74.10926 102.0413 
1 1 1    3   26    9 o  194.014   78.099  100.468   90.753  100.468   90.753   0.0000   0.0000  194.014   78.099  ?   ?       ?      ? 
1 1 1    3   26   10 o  158.159   68.633   39.189   78.537   39.189   78.537   0.0000   0.0000  158.159   68.633  ?   ?       ?      ? 
1 1 1    3   26   11 o  120.116   57.035 -45.5221   72.338 -45.5221   72.338   0.0000   0.0000  120.116   57.035  ?   ?       ?      ? 
1 1 1    3   26   12 o  216.226   85.082  148.988  105.322  148.988  105.322   0.0000   0.0000  216.226   85.082  ?   ?       ?      ? 
1 1 1    3   26   13 o  179.001   84.501   34.090  154.456   34.090  154.456   0.0000   0.0000  179.001   84.501  ?   ?       ?      ? 
1 1 1    3   26   14 o  151.281   69.128   12.233   91.104   12.233   91.104   0.0000   0.0000  151.281   69.128  ?   ?       ?      ? 
1 1 1    3   26   15 o  165.048   73.622   45.197   96.320   45.197   96.320   0.0000   0.0000  165.048   73.622  ?   ?       ?      ? 
1 1 1    3   26   16 o  152.714   70.067   16.051   94.900   16.051   94.900   0.0000   0.0000  152.714   70.067  ?   ?       ?      ? 
1 1 1    3   26   17 o  169.039   77.442   50.309  115.338   50.309  115.338   0.0000   0.0000  169.039   77.442  ?   ?       ?      ? 
1 1 1    3   27    0 o  176.170   58.914 -13.8209  114.321 -190.6039  182.797   99.739  146.508  154.162   76.753  198.178   89.402 -44.01643 117.8289 
1 1 1    3   27    1 o  280.202  118.407  422.937  222.646   0.0000   0.0000  422.937  222.646  ?   ?   280.202  118.407      ?      ? 
1 1 1    3   27    2 o  218.574   69.212  168.527  121.585  154.468  169.409  183.462  174.602  214.560   96.525  222.587   99.218 -8.026917 138.4239 
1 1 1    3   27    3 o  192.006   57.303   96.407   77.878  131.660   87.393 -39.5561  171.630  212.602   78.985  171.409   83.042 41.19252 114.6062 
1 1 1    3   27    4 f  135.814   46.800 -43.1036   59.072 -30.9978   63.696 -117.5314  157.936  117.876   55.210  153.752   75.584 -35.87598 93.60051 
1 1 1    3   27    5 o  188.153   78.482   91.583   95.856   91.583   95.856   0.0000   0.0000  188.153   78.482  ?   ?       ?      ? 
1 1 1    3   27    6 o  181.196   56.979   69.395   80.877   95.211   93.569  -6.8776  160.830  189.368   78.142  173.025   82.946 16.34328 113.9571 
1 1 1    3   27    7 o  142.465   49.288 -116.3295   81.121 -191.8445  100.057   28.510  138.572  110.535   55.302  174.395   81.602 -63.85962 98.57624 
1 1 1    3   27    8 o  218.810   67.693  176.676  111.368  207.501  150.650  139.533  165.373  230.774   97.453  206.846   93.980 23.92709 135.3861 
1 1 1    3   27    9 o  218.727   62.583  163.587   91.870  219.763  113.090   54.573  157.541  253.120   90.475  184.334   86.493 68.78609 125.1669 
1 1 1    3   27   10 o  156.843   51.647   4.7858   70.575  -9.9382   84.410   38.988  128.650  140.014   64.896  173.673   80.363 -33.65921 103.2945 
1 1 1    3   27   11 o  144.038   49.576 -70.3468   70.962 -106.4405   81.798   39.455  142.670  111.474   54.718  176.602   82.688 -65.12855 99.15287 
1 1 1    3   27   12 o  175.062   59.595   7.7436  117.909   40.268  184.618 -14.6617  153.230  183.538   88.219  166.586   80.146 16.95134 119.1890 
1 1 1    3   27   13 o  177.932   60.682   15.989  120.235  108.726  196.235 -39.7520  152.138  195.427   93.120  160.436   77.834 34.99055 121.3647 
1 1 1    3   27   14 o  162.867   56.143 -63.6257  112.399   97.668  171.240 -185.7193  148.985  189.516   89.315  136.218   68.050 53.29811 112.2856 
1 1 1    3   28    0 o  182.410   61.810   27.639  126.032   16.434  184.602   37.422  172.487  181.594   87.518  183.226   87.305 -1.631958 123.6190 
1 1 1    3   28    1 o  182.221   61.230   30.109  117.912 -30.9644  160.584  101.562  173.693  167.375   80.902  197.068   91.930 -29.69304 122.4594 
1 1 1    3   28    2 o  199.131   65.121  109.745  121.541  154.454  159.262   47.391  188.080  210.683   94.273  187.579   89.864 23.10347 130.2420 
1 1 1    3   28    3 o  162.502   55.839 -39.9035  100.228 -51.7966  117.994  -9.0857  189.938  146.814   70.557  178.191   86.567 -31.37706 111.6785 
1 1 1    3   28    4 o  164.538   57.067 -46.3990  104.241 -55.2014  117.999 -15.1172  222.446  145.986   70.259  183.090   89.944 -37.10420 114.1332 
1 1 1    3   28    5 o  176.021   60.146   5.9352  113.089  -0.6296  131.003   25.135  224.040  163.753   77.462  188.289   92.031 -24.53615 120.2916 
1 1 1    3   28    6 o  178.956   60.951  -1.0978  114.285 -72.9571  139.074  148.343  200.557  151.392   73.669  206.520   97.123 -55.12787 121.9017 
1 1 1    3   28    7 o  169.757   57.716 -12.2356  114.232   47.159  141.336 -124.1255  193.988  177.607   82.877  161.907   80.350 15.69910 115.4325 
1 1 1    3   28    8 o  159.858   55.646 -101.8564  120.536 -203.9029  164.264   17.196  177.423  141.915   70.980  177.801   85.718 -35.88574 111.2911 
1 1 1    3   28    9 o  133.779   47.099 -108.7904   77.648 -103.3174   87.766 -128.5074  166.585  116.018   56.894  151.540   75.074 -35.52133 94.19701 
1 1 1    3   28   10 o  157.059   52.618   1.7460   82.983   32.912   94.502 -103.2279  173.436  157.911   71.467  156.208   77.246 1.703064 105.2358 
1 1 1    3   28   11 o  295.552  122.268  577.255  229.921  577.255  229.921   0.0000   0.0000  295.552  122.268  ?   ?       ?      ? 
1 1 1    3   29    0 o  188.242   60.823   94.114  102.991  133.239  116.610 -44.6482  219.605  201.604   85.470  174.880   86.559 26.72293 121.6451 
1 1 1    3   29    1 o  151.767   53.622 -136.1195  112.421 -173.1266  134.079 -48.5120  206.295  131.620   65.563  171.914   84.869 -40.29359 107.2436 
1 1 1    3   29    2 o  159.955   55.400 -24.5033   91.691 -21.0319   99.854 -43.1703  231.554  143.227   67.714  176.684   87.701 -33.45731 110.8000 
1 1 1    3   29    3 o  165.275   58.174 -73.9656  124.941 -100.0068  144.002   5.3306  251.284  146.524   72.058  184.026   91.348 -37.50256 116.3481 
1 1 1    3   29    4 o  285.478  117.077  480.349  208.445  480.349  208.445   0.0000   0.0000  285.478  117.077  ?   ?       ?      ? 
1 1 1    3   29    5 f  214.307   72.121  174.839  127.546  112.541  137.502  558.891  341.403  191.205   86.401  237.408  115.502 -46.20329 144.2422 
1 1 1    3   29    6 o  209.260   68.901  200.661  137.253  207.636  155.385  175.896  292.782  218.319   95.604  200.202   99.244 18.11671 137.8025 
1 1 1    4    0    0 o   36.739   14.115   3.7050   4.0335   3.7050   4.0335   3.7050   4.0335   36.739   19.961   36.739   19.961 0.000000 0.000000 
1 1 1    4    0    1 o  555.062   18.618  606.392   56.739  606.392   56.739  606.392   56.739  555.062   26.329  555.062   26.329 0.000000 0.000000 
1 1 1    4    0    2 o  670.476   28.769  890.971  105.555  890.971  105.555  890.971  105.555  670.476   40.686  670.476   40.686 -0.000000 0.000000 
1 1 1    4    0    3 o  140.673   26.618   46.129   17.857   46.129   17.857   46.129   17.857  140.673   37.643  140.673   37.643 0.000000 0.000000 
1 1 1    4    0    4 o  622.583   53.932  802.300  177.862  802.300  177.862  802.300  177.862  622.583   76.272  622.583   76.272 0.000000 0.000000 
1 1 1    4    0    5 o   86.477   15.657   17.187   6.4592   17.187   6.4592   17.187   6.4592   86.477   22.142   86.477   22.142 -0.000000 0.000000 
1 1 1    4    0    6 o  637.979   28.171  807.737   98.301  807.737   98.301  807.737   98.301  637.979   39.840  637.979   39.840 0.000000 0.000000 
1 1 1    4    0    7 o  1090.93   38.399  2365.03  229.880  2365.03  229.880  2365.03  229.880  1090.93   54.304  1090.93   54.304 0.000000 0.000000 
1 1 1    4    0    8 o  682.631   20.471  917.323   76.807  917.323   76.807  917.323   76.807  682.631   28.951  682.631   28.951 -0.000000 0.000000 
1 1 1    4    0    9 f  514.195   26.148  527.187   73.320  527.187   73.320  527.187   73.320  514.195   36.979  514.195   36.979 0.000000 0.000000 
1 1 1    4    0   10 o  1172.17   28.398  2715.34  183.218  2715.34  183.218  2715.34  183.218  1172.17   40.161  1172.17   40.161 -0.000000 0.000000 
1 1 1    4    0   11 o  241.316   25.174  121.740   31.384  121.740   31.384  121.740   31.384  241.316   35.602  241.316   35.602 -0.000000 0.000000 
1 1 1    4    0   12 o  897.317   34.088  1616.08  167.697  1616.08  167.697  1616.08  167.697  897.317   48.208  897.317   48.208 0.000000 0.000000 
1 1 1    4    0   13 o  342.884   16.793  233.844   31.428  233.844   31.428  233.844   31.428  342.884   23.750  342.884   23.750 0.000000 0.000000 
1 1 1    4    0   14 o   95.742   30.355   26.169   17.110   26.169   17.110   26.169   17.110   95.742   42.928   95.742   42.928 -0.000000 0.000000 
1 1 1    4    0   15 o  114.442   32.069   35.577   19.521   35.577   19.521   35.577   19.521  114.442   45.352  114.442   45.352 -0.000000 0.000000 
1 1 1    4    0   16 o  587.283   19.273  680.302   62.159  680.302   62.159  680.302   62.159  587.283   27.256  587.283   27.256 -0.000000 0.000000 
1 1 1    4    0   17 o  670.391   20.359  885.695   75.008  885.695   75.008  885.695   75.008  670.391   28.792  670.391   28.792 -0.000000 0.000000 
1 1 1    4    0   18 o  185.307   19.407   71.495   18.567   71.495   18.567   71.495   18.567  185.307   27.445  185.307   27.445 -0.000000 0.000000 
1 1 1    4    0   19 o  972.806   25.236  1865.64  135.070  1865.64  135.070  1865.64  135.070  972.806   35.688  972.806   35.688 -0.000000 0.000000 
1 1 1    4    0   20 o  1470.64   48.758  4350.50  393.747  4350.50  393.747  4350.50  393.747  1470.64   68.954  1470.64   68.954 -0.000000 0.000000 
1 1 1    4    0   21 o  1063.63   26.808  2233.38  156.907  2233.38  156.907  2233.38  156.907  1063.63   37.912  1063.63   37.912 -0.000000 0.000000 
1 1 1    4    0   22 o  797.828   22.376  1255.20   98.171  1255.20   98.171  1255.20   98.171  797.828   31.644  797.828   31.644 -0.000000 0.000000 
1 1 1    4    0   23 o  554.778   19.370  607.719   58.975  607.719   58.975  607.719   58.975  554.778   27.393  554.778   27.393 0.000000 0.000000 
1 1 1    4    0   24 o  1077.19   27.085  2294.87  160.553  2294.87  160.553  2294.87  160.553  1077.19   38.304  1077.19   38.304 0.000000 0.000000 
1 1 1    4    0   25 o  189.598   24.829   77.479   23.360   77.479   23.360   77.479   23.360  189.598   35.114  189.598   35.114 -0.000000 0.000000 
1 1 1    4    0   26 o  490.873   19.509  477.870   52.468  477.870   52.468  477.870   52.468  490.873   27.589  490.873   27.589 0.000000 0.000000 
1 1 1    4    0   27 o  102.278   42.854   24.852   41.886   24.852   41.886   24.852   41.886  102.278   60.604  102.278   60.604 0.000000 0.000000 
1 1 1    4    0   28 o  332.663   19.816  222.834   35.786  222.834   35.786  222.834   35.786  332.663   28.024  332.663   28.024 0.000000 0.000000 
1 1 1    4    0   29 o  531.031   20.600  563.143   59.957  563.143   59.957  563.143   59.957  531.031   29.133  531.031   29.133 0.000000 0.000000 
1 1 1    4    0   30 o  105.522   31.108   31.416   18.105   31.416   18.105   31.416   18.105  105.522   43.994  105.522   43.994 0.000000 0.000000 
1 1 1    4    0   31 o  359.391   21.749  262.366   42.410  262.366   42.410  262.366   42.410  359.391   30.757  359.391   30.757 0.000000 0.000000 
1 1 1    4    0   32 o  408.866   25.992  344.050   57.559  344.050   57.559  344.050   57.559  408.866   36.758  408.866   36.758 -0.000000 0.000000 
1 1 1    4    0   33 o  176.368   30.341   72.834   25.590   72.834   25.590   72.834   25.590  176.368   42.909  176.368   42.909 -0.000000 0.000000 
1 1 1    4    0   34 o  430.207   22.669  378.975   53.134  378.975   53.134  378.975   53.134  430.207   32.059  430.207   32.059 -0.000000 0.000000 
1 1 1    4    0   35 f  573.134   22.310  668.623   70.079  668.623   70.079  668.623   70.079  573.134   31.552  573.134   31.552 0.000000 0.000000 
1 1 1    4    0   36 f  586.423   22.675  701.745   72.883  701.745   72.883  701.745   72.883  586.423   32.067  586.423   32.067 0.000000 0.000000 
1 1 1    4    0   37 o  223.308   26.101  109.399   29.524  109.399   29.524  109.399   29.524  223.308   36.912  223.308   36.912 -0.000000 0.000000 
1 1 1    4    1    0 o  1579.60   35.979  4925.77  221.184  5146.05  327.531  4741.09  299.895  1611.41   52.085  1547.80   49.650 63.60986 71.95869 
1 1 1    4    1    1 o  860.260   27.029  1481.43   88.980  1631.07  118.909  1291.02  134.136  911.335   33.435  809.185   42.478 102.1500 54.05827 
1 1 1    4    1    2 o  255.169   38.938  136.674   27.160  138.986   29.178  121.680   74.313  266.274   28.080  244.063   72.637 22.21046 77.87555 
1 1 1    4    1    3 o   62.736   17.155   4.8672   5.9905   3.3292   8.9053   6.1385   8.0960   61.008   24.498   64.465   24.022 -3.456989 34.31047 
1 1 1    4    1    4 o  1136.38   89.189  2531.26  226.416  2479.06  236.997  3076.99  766.296  1116.91   54.374  1155.85  169.888 -38.94507 178.3775 
1 1 1    4    1    5 o  715.463  118.476  1090.80  330.787   0.0000   0.0000  1090.80  330.787  ?   ?   715.463  118.476      ?      ? 
1 1 1    4    1    6 o  555.437   57.207  705.000   81.931  735.673   89.403  544.177  204.716  611.024   37.494  499.849  108.096 111.1759 114.4138 
1 1 1    4    1    7 o  839.055   32.673  1207.39   97.796  961.957  113.545  1912.66  192.477  697.505   41.715  980.605   50.298 -283.0997 65.34544 
1 1 1    4    1    8 f  974.378   31.219  1784.61  105.757  1675.39  122.467  2104.92  209.728  922.073   34.035  1026.68   52.347 -104.6096 62.43830 
1 1 1    4    1    9 o  435.749   20.499  359.059   32.641  414.711   59.091  334.622   39.156  458.573   33.020  412.924   24.300 45.64856 40.99766 
1 1 1    4    1   10 o  677.018   20.302  902.905   53.632  918.267   76.383  887.967   75.323  682.707   28.670  671.330   28.751 11.37646 40.60326 
1 1 1    4    1   11 o  208.441   16.165   85.621   13.065   97.943   18.659   73.771   18.299  223.284   21.415  193.598   24.222 29.68608 32.33067 
1 1 1    4    1   12 o  343.288   23.412  234.437   31.352  227.537   44.367  241.319   44.309  338.139   33.623  348.436   32.587 -10.29633 46.82302 
1 1 1    4    1   13 o  723.321   21.125  1037.41   59.624  1031.45   83.630  1043.56   85.029  721.274   29.712  725.369   30.038 -4.094849 42.25038 
1 1 1    4    1   14 o  642.537   24.483  815.892   57.676  837.405  101.026  805.490   70.249  646.700   40.031  638.374   28.199 8.325562 48.96601 
1 1 1    4    1   15 o  223.499   21.068   99.101   16.792   99.782   20.078   97.517   30.634  225.335   22.832  221.661   35.414 3.673965 42.13633 
1 1 1    4    1   16 o  158.794   18.245   50.424   10.851   38.653   14.924   63.627   15.806  137.556   28.729  180.033   22.497 -42.47691 36.48938 
1 1 1    4    1   17 o  752.771   21.533  1116.45   63.244  1141.10   90.413  1092.83   88.499  760.906   30.449  744.637   30.455 16.26868 43.06539 
1 1 1    4    1   18 o  318.254   17.069  199.084   21.149  214.993   29.935  183.228   29.885  331.041   23.172  305.467   25.070 25.57397 34.13852 
1 1 1    4    1   19 o  485.150   21.984  468.971   39.590  481.656   49.326  446.003   66.373  495.233   25.523  475.067   35.802 20.16528 43.96809 
1 1 1    4    1   20 o  700.200   25.475  977.561   66.336  942.024  111.128  997.234   82.683  688.757   41.345  711.642   29.773 -22.88477 50.94949 
1 1 1    4    1   21 o  517.790   18.946  527.723   38.253  543.040   53.605  511.830   54.603  525.551   26.137  510.029   27.434 15.52228 37.89198 
1 1 1    4    1   22 o  1263.08   30.312  3181.10  149.407  3172.71  210.554  3189.62  212.040  1261.46   42.772  1264.70   42.963 -3.236206 60.62399 
1 1 1    4    1   23 o  905.608   24.140  1623.10   85.283  1601.68  118.759  1645.90  122.548  899.561   33.830  911.655   34.446 -12.09399 48.28070 
1 1 1    4    1   24 f  448.498   18.779  396.426   32.828  400.696   45.464  391.775   47.451  451.138   25.824  445.858   27.272 5.279480 37.55885 
1 1 1    4    1   25 o  118.136   22.975   27.563   11.315   39.786   16.663   17.107   15.412  139.051   31.445   97.221   33.505 41.83015 45.95005 
1 1 1    4    1   26 o  647.458   20.843  830.860   52.648  857.644   75.285  805.226   73.652  657.716   29.332  637.200   29.619 20.51544 41.68525 
1 1 1    4    1   27 o  246.359   60.813  133.180   58.112   0.0000   0.0000  133.180   58.112  ?   ?   246.359   60.813      ?      ? 
1 1 1    4    1   28 o  640.151   21.135  820.333   52.781  832.284   74.073  808.007   75.228  645.137   29.422  635.164   30.350 9.972107 42.27057 
1 1 1    4    1   29 o  193.244   22.161   76.412   16.295   83.698   23.165   69.276   22.925  204.137   29.079  182.350   33.449 21.78697 44.32233 
1 1 1    4    1   30 o  392.986   20.156  312.020   30.777  340.756   43.223  282.466   43.834  412.078   26.879  373.894   30.042 38.18390 40.31120 
1 1 1    4    1   31 o  431.073   22.940  383.926   37.551  405.855   48.799  352.089   58.799  448.782   27.864  413.363   36.450 35.41879 45.88055 
1 1 1    4    1   32 o  387.850   23.803  312.597   35.392  287.215   53.886  331.854   46.936  371.698   37.150  404.003   29.770 -32.30588 47.60645 
1 1 1    4    1   33 o  144.471   26.229   44.651   14.964   56.580   22.415   35.059   20.099  161.479   36.437  127.464   37.739 34.01485 52.45855 
1 1 1    4    1   34 o  439.608   21.886  400.690   37.449  438.625   53.636  364.605   52.311  460.837   29.825  418.380   32.040 42.45761 43.77299 
1 1 1    4    1   35 o  188.792   27.341   78.762   19.410   80.071   28.705   77.660   26.345  189.484   40.072  188.100   37.208 1.383286 54.68283 
1 1 1    4    1   36 o  383.325   22.546  307.981   33.719  303.822   47.912  312.062   47.462  380.437   32.273  386.213   31.491 -5.775940 45.09109 
1 1 1    4    1   37 f  104.743   26.129   22.062   13.195   23.521   20.178   20.971   17.442  107.636   38.244  101.850   35.612 5.786751 52.25753 
1 1 1    4    2    0 f  407.855   21.135  326.237   33.636  331.971   47.890  320.654   47.254  411.396   29.830  404.314   29.949 7.081848 42.27052 
1 1 1    4    2    1 o  606.268   25.200  718.941   59.464  777.104   88.009  670.085   80.661  628.686   35.873  583.851   35.402 44.83502 50.40008 
1 1 1    4    2    2 o  451.617   48.130  419.542   53.746  420.978   57.520  409.665  150.866  463.078   31.830  440.155   90.844 22.92313 96.25921 
1 1 1    4    2    3 o  220.684   47.691   98.241   44.880   96.612   63.407   99.877   63.533  219.178   67.494  222.191   67.397 -3.013809 95.38277 
1 1 1    4    2    4 o  1153.01  137.063  3221.23  602.776  3513.74  879.484  2962.11  827.773  1214.52  185.562  1091.49  201.771 123.0328 274.1258 
1 1 1    4    2    5 o  364.240   43.666  258.217   57.411  305.545  101.473  235.936   69.626  383.861   70.332  344.618   51.772 39.24295 87.33235 
1 1 1    4    2    6 o  1113.55  133.595  3025.56  564.602  2617.81  758.703  3531.60  845.222  1015.24  198.615  1211.87  178.724 -196.6300 267.1899 
1 1 1    4    2    7 o  462.085   97.460  461.914  170.212   0.0000   0.0000  461.914  170.212  ?   ?   462.085   97.460      ?      ? 
1 1 1    4    2    8 o  335.044   41.075  226.053   28.935  225.329   30.214  234.055  100.503  339.038   22.837  331.051   78.911 7.987244 82.14901 
1 1 1    4    2    9 o  559.807   54.955  597.251   74.831  579.435   79.363  740.005  224.654  541.000   37.591  578.613  103.282 -37.61279 109.9107 
1 1 1    4    2   10 o  180.173   18.622   58.139   12.132   41.324   14.748   93.334   21.337  142.496   27.518  217.850   25.098 -75.35443 37.24432 
1 1 1    4    2   11 o  431.350   17.207  366.451   28.959  373.854   40.927  359.027   40.982  435.757   24.068  426.944   24.598 8.813599 34.41368 
1 1 1    4    2   12 o  466.503   17.667  429.465   32.156  433.260   45.117  425.548   45.842  468.663   24.669  464.343   25.298 4.319702 35.33496 
1 1 1    4    2   13 o  175.630   19.817   58.521   13.128   70.899   22.283   51.942   16.246  189.067   30.201  162.194   25.668 26.87378 39.63489 
1 1 1    4    2   14 o  278.701   22.593  169.887   21.820  200.739   27.110  113.134   36.769  319.552   21.739  237.850   39.614 81.70229 45.18688 
1 1 1    4    2   15 o  152.069   23.725   46.072   12.397   45.557   14.321   47.611   24.760  152.210   24.110  151.929   40.869 0.2810669 47.45055 
1 1 1    4    2   16 o  421.085   17.421  348.269   28.608  366.452   40.937  330.912   39.995  431.863   24.291  410.306   24.979 21.55765 34.84212 
1 1 1    4    2   17 o  736.992   21.291  1069.94   61.230  1086.26   87.221  1054.10   85.976  742.531   30.100  731.453   30.120 11.07831 42.58258 
1 1 1    4    2   18 o  1176.26   35.256  2759.96  151.906  2745.88  185.268  2788.83  265.349  1176.66   40.348  1175.86   57.827 0.8073730 70.51172 
1 1 1    4    2   19 o  115.393   20.684   27.402   9.3339   29.824   12.602   24.459   13.893  120.811   27.365  109.976   31.024 10.83495 41.36820 
1 1 1    4    2   20 o  857.276   28.754  1418.16   88.477  1563.05  163.900  1358.57  105.107  884.673   47.475  829.879   32.455 54.79443 57.50851 
1 1 1    4    2   21 o  1332.32   31.644  3532.32  164.180  3680.37  241.759  3405.59  223.666  1357.57   45.634  1307.06   43.850 50.51416 63.28735 
1 1 1    4    2   22 o  1081.50   27.118  2317.49  114.244  2243.33  156.052  2403.13  167.708  1063.26   37.610  1099.74   39.078 -36.48547 54.23626 
1 1 1    4    2   23 o  826.086   23.046  1343.23   74.032  1279.95   99.765  1420.79  110.443  804.806   31.765  847.366   33.399 -42.55988 46.09276 
1 1 1    4    2   24 o  274.185   18.930  144.616   20.007  120.427   26.165  178.669   31.044  247.196   27.123  301.173   26.414 -53.97716 37.86007 
1 1 1    4    2   25 o  163.760   21.977   54.097   13.718   46.094   19.113   62.600   19.701  149.519   33.578  178.001   28.362 -28.48161 43.95357 
1 1 1    4    2   26 o  249.058   25.359  122.496   23.587  129.202   40.017  118.926   29.198  253.403   40.467  244.712   30.575 8.691498 50.71892 
1 1 1    4    2   27 o  561.033   29.420  629.248   53.426  621.317   60.478  657.430  114.005  559.243   27.712  562.823   51.906 -3.579712 58.84062 
1 1 1    4    2   28 o  403.977   20.089  328.171   31.362  345.875   42.284  306.523   46.757  416.931   25.988  391.023   30.642 25.90762 40.17821 
1 1 1    4    2   29 o  604.693   21.289  736.055   50.074  734.164   68.125  738.279   73.853  604.598   28.874  604.788   31.292 -0.1897583 42.57813 
1 1 1    4    2   30 o  242.893   21.501  118.709   20.318  111.460   27.453  127.488   30.213  234.865   29.953  250.921   30.855 -16.05600 43.00211 
1 1 1    4    2   31 o  357.013   21.995  252.092   29.862  230.355   37.580  289.331   49.188  337.815   28.506  376.211   33.504 -38.39618 43.98987 
1 1 1    4    2   32 o  282.869   24.875  169.544   26.649  137.050   39.861  195.806   35.836  255.407   39.993  310.331   29.591 -54.92413 49.74969 
1 1 1    4    2   33 o  440.897   79.215  518.349  131.285   0.0000   0.0000  518.349  131.285  ?   ?   440.897   79.215      ?      ? 
1 1 1    4    2   34 o  140.396   24.759   43.225   16.804   1.9839   25.588   74.501   22.283   90.996   39.331  189.796   30.085 -98.80072 49.51791 
1 1 1    4    2   35 o  445.943   22.941  417.414   39.796  447.466   55.820  386.352   56.750  463.770   30.843  428.115   33.969 35.65509 45.88187 
1 1 1    4    2   36 o  373.800   33.127  275.972   39.401  396.088   90.939  248.213   43.717  404.049   57.675  343.550   32.608 60.49991 66.25457 
1 1 1    4    3    0 o  1471.43   45.939  4321.17  263.129  4509.19  388.905  4162.43  357.337  1500.01   66.438  1442.85   63.464 57.16260 91.87851 
1 1 1    4    3    1 o  908.877  101.627  1814.88  360.102  1712.03  500.100  1925.62  518.946  880.909  145.477  936.846  141.946 -55.93732 203.2538 
1 1 1    4    3    2 o  747.393   86.287  1191.74  251.662  1182.91  355.170  1200.65  356.643  744.497  122.248  750.289  121.807 -5.792236 172.5733 
1 1 1    4    3    3 o  310.243   56.749  202.785   69.225  201.798   97.844  203.775   97.954  309.497   80.316  310.988   80.195 -1.490875 113.4983 
1 1 1    4    3    4 o  1139.17  106.335  2864.26  440.683  2771.52  533.854  3062.60  780.747  1137.85  120.228  1140.49  175.424 -2.636475 212.6692 
1 1 1    4    3    5 o  1033.16   72.303  2146.66  284.767  2914.96  453.300  1645.79  366.003  1182.50   98.232  883.816  106.119 298.6813 144.6054 
1 1 1    4    3    6 f  489.551   56.776  485.997   99.551  464.168  120.980  531.776  175.197  480.138   64.568  498.964   93.409 -18.82578 113.5529 
1 1 1    4    3    7 o  362.743   60.998  282.452   85.186  258.531  119.085  307.520  121.908  346.431   87.934  379.056   84.562 -32.62473 121.9969 
1 1 1    4    3    8 o  331.478   83.594  237.000  108.115   0.0000   0.0000  237.000  108.115  ?   ?   331.478   83.594      ?      ? 
1 1 1    4    3    9 o  564.449   59.003  769.023   87.008  817.117   95.828  543.261  207.622  641.891   38.256  487.006  111.633 154.8849 118.0057 
1 1 1    4    3   10 o  293.098   79.751  188.388   93.649   0.0000   0.0000  188.388   93.649  ?   ?   293.098   79.751      ?      ? 
1 1 1    4    3   11 o  419.135   46.061  338.287   37.980  332.610   39.389  413.382  143.260  410.825   24.569  427.444   88.786 -16.61893 92.12295 
1 1 1    4    3   12 o  239.266   38.820  124.613   27.704  127.588   30.132  108.357   70.440  253.572   30.450  224.959   71.420 28.61339 77.64075 
1 1 1    4    3   13 o  415.868   22.215  364.865   33.660  431.038   43.403  265.008   53.318  467.688   23.781  364.049   37.530 103.6383 44.43029 
1 1 1    4    3   14 o  276.004   22.351  162.104   21.565  181.247   26.327  123.068   37.595  303.656   22.217  248.353   38.791 55.30286 44.70281 
1 1 1    4    3   15 o  654.518   20.171  844.447   51.504  835.631   71.799  853.792   73.923  651.063   28.260  657.973   28.790 -6.909302 40.34193 
1 1 1    4    3   16 o  448.914   17.640  395.270   30.872  375.831   42.600  416.772   44.804  437.310   24.962  460.518   24.931 -23.20786 35.27971 
1 1 1    4    3   17 o  257.859   17.552  131.821   17.485  148.590   24.267  113.717   25.214  275.218   22.595  240.499   26.866 34.71840 35.10415 
1 1 1    4    3   18 o  135.185   20.886   37.496   10.607   38.522   13.942   36.085   16.344  137.678   26.914  132.692   31.946 4.985474 41.77250 
1 1 1    4    3   19 o  637.174   29.024  798.882   72.169   0.0000   0.0000  798.882   72.169  ?   ?   637.174   29.024      ?      ? 
1 1 1    4    3   20 o  115.437   22.233   28.484   12.420  -5.1663   21.293   45.835   15.290   80.430   35.302  150.443   27.037 -70.01276 44.46603 
1 1 1    4    3   21 o  198.646   20.160   75.879   15.422   61.885   20.224   95.323   23.840  177.229   29.242  220.064   27.760 -42.83415 40.31989 
1 1 1    4    3   22 o  476.376   19.188  433.053   35.022  377.773   44.638  521.561   56.483  438.204   26.103  514.549   28.129 -76.34448 38.37518 
1 1 1    4    3   23 o  884.363   24.199  1525.62   82.548  1405.55  107.355  1699.30  129.115  843.025   32.632  925.701   35.742 -82.67609 48.39779 
1 1 1    4    3   24 o  1266.53   30.866  3164.44  150.545  2932.81  194.986  3506.32  236.883  1211.77   41.233  1321.29   45.941 -109.5189 61.73166 
1 1 1    4    3   25 o  244.353   23.599  115.793   21.991  131.572   35.889  106.305   27.828  257.047   35.778  231.658   30.782 25.38885 47.19768 
1 1 1    4    3   26 o  415.048   29.795  341.997   48.258   0.0000   0.0000  341.997   48.258  ?   ?   415.048   29.795      ?      ? 
1 1 1    4    3   27 o  338.469   41.173  247.593   33.395  248.409   35.542  241.451   97.545  353.962   25.731  322.976   78.223 30.98605 82.34614 
1 1 1    4    3   28 o  231.779   21.189  104.992   18.830   81.579   24.735  137.263   29.040  201.492   31.458  262.067   28.396 -60.57538 42.37839 
1 1 1    4    3   29 f  788.522   23.860  1262.63   73.177  1260.88   99.548  1264.69  107.935  789.205   32.323  787.839   35.107 1.365723 47.72083 
1 1 1    4    3   30 o  185.318   23.334   71.073   16.483   74.256   22.952   67.682   23.686  191.497   30.713  179.138   35.138 12.35887 46.66887 
1 1 1    4    3   31 o  132.501   25.809   37.934   14.603   20.705   21.746   52.083   19.707  107.980   39.525  157.023   33.199 -49.04285 51.61779 
1 1 1    4    3   32 o  203.886   25.175   78.854   18.754  124.448   32.767   56.642   22.871  245.625   34.185  162.148   36.966 83.47743 50.34968 
1 1 1    4    3   33 o   75.863   22.318   5.1404   9.6400   0.8548   20.330   6.3836   10.949   81.661   35.177   70.064   27.476 11.59622 44.63620 
1 1 1    4    3   34 o  302.270   46.740  279.812   60.546  378.134   75.399  101.324  101.590  410.874   47.025  193.667   80.790 217.2064 93.47908 
1 1 1    4    3   35 o  136.284   41.413   25.030   23.569   24.520   24.382   32.293   92.020  112.950   41.768  159.617   71.524 -46.66669 82.82671 
1 1 1    4    3   36 o  327.094   32.311  226.161   36.260  274.476   72.713  210.170   41.833  339.179   54.935  315.009   34.030 24.17001 64.62127 
1 1 1    4    4    0 o  346.814   59.756  254.841   80.133  252.373  113.192  257.321  113.458  345.098   84.684  348.531   84.332 -3.433624 119.5126 
1 1 1    4    4    1 o  236.239   49.538  114.242   48.963  111.292   69.125  117.213   69.366  233.601   70.176  238.876   69.938 -5.274887 99.07572 
1 1 1    4    4    2 o  683.813   83.625  1006.98  218.297  939.048  303.158  1080.13  314.596  653.335  123.429  714.292  112.861 -60.95648 167.2493 
1 1 1    4    4    3 o  652.433   60.483  817.795  143.606  730.323  170.782  1028.94  265.333  600.930   72.826  703.937   96.589 -103.0070 120.9669 
1 1 1    4    4    4 o  439.199   42.063  385.993   72.090  389.817  101.976  382.173  101.926  441.427   59.198  436.972   59.772 4.454712 84.12555 
1 1 1    4    4    5 o  370.780   40.386  276.325   55.579  370.370   82.986  199.825   74.846  431.685   49.261  309.876   64.012 121.8084 80.77257 
1 1 1    4    4    6 f  916.607   94.606  1911.99  307.329  1964.27  379.828  1812.89  522.994  963.488  101.020  869.726  159.988 93.76221 189.2123 
1 1 1    4    4    7 o  564.672   62.201  664.015  125.536  644.476  153.003  704.264  219.595  562.221   69.736  567.123  103.018 -4.902344 124.4020 
1 1 1    4    4    8 o  152.319   53.677   41.489   39.671   41.489   39.671   0.0000   0.0000  152.319   53.677  ?   ?       ?      ? 
1 1 1    4    4    9 o  245.547   72.419  128.169   74.134   0.0000   0.0000  128.169   74.134  ?   ?   245.547   72.419      ?      ? 
1 1 1    4    4   10 o  348.318   87.514  273.738  118.805   0.0000   0.0000  273.738  118.805  ?   ?   348.318   87.514      ?      ? 
1 1 1    4    4   11 o  102.147   25.513   11.649   8.9139   8.8441   9.4737   33.305   26.323   72.828   26.170  131.465   43.804 -58.63689 51.02568 
1 1 1    4    4   12 o  488.802   55.147  574.395   52.989  585.540   55.441  456.715  180.153  544.429   26.095  433.176  107.162 111.2526 110.2934 
1 1 1    4    4   13 o  468.772   25.112  433.253   45.938  433.253   45.938   0.0000   0.0000  468.772   25.112  ?   ?       ?      ? 
1 1 1    4    4   14 o  214.197   35.162  101.485   18.860  103.931   19.827   78.215   61.147  230.003   22.089  198.391   66.764 31.61273 70.32340 
1 1 1    4    4   15 o  352.432   42.995  235.105   31.016  230.996   32.231  286.541  114.030  342.849   24.090  362.015   82.548 -19.16608 85.99097 
1 1 1    4    4   16 o  360.140   34.824  179.666   26.977  166.898   27.841  375.747  109.107  291.494   24.475  428.786   65.205 -137.2923 69.64739 
1 1 1    4    4   17 o  163.586   20.003   55.401   11.941   61.396   15.364   46.257   18.976  176.936   22.252  150.236   33.246 26.69974 40.00529 
1 1 1    4    4   18 o  701.544   20.891  966.789   57.138  1020.71   82.906  918.008   78.857  720.147   29.501  682.940   29.589 37.20703 41.78241 
1 1 1    4    4   19 o  472.470   22.733  436.175   40.263  454.345   67.608  426.188   50.121  479.378   36.140  465.561   27.587 13.81754 45.46581 
1 1 1    4    4   20 o  1061.62   26.692  2229.63  110.478  2310.29  160.514  2157.02  152.290  1079.69   38.096  1043.55   37.396 36.13623 53.38350 
1 1 1    4    4   21 o  326.161   18.452  205.714   23.274  183.219   30.529  236.935   35.964  305.271   25.627  347.051   26.555 -41.78061 36.90389 
1 1 1    4    4   22 o  731.494   21.949  1041.67   62.037  957.531   81.111  1160.28   96.298  696.725   29.832  766.263   32.204 -69.53741 43.89817 
1 1 1    4    4   23 o  536.037   19.876  554.562   41.011  498.581   52.938  638.584   64.856  503.130   26.962  568.943   29.211 -65.81381 39.75246 
1 1 1    4    4   24 f  1261.22   43.807  3188.78  215.607   0.0000   0.0000  3188.78  215.607  ?   ?   1261.22   43.807      ?      ? 
1 1 1    4    4   25 o  781.036   28.534  1203.34   83.352  1290.91  141.448  1156.75  103.168  799.748   45.322  762.323   34.680 37.42511 57.06823 
1 1 1    4    4   26 o  419.766   20.271  345.011   32.616  326.380   41.870  373.765   52.016  406.072   26.422  433.461   30.750 -27.38846 40.54287 
1 1 1    4    4   27 o  451.605   35.982  385.186   41.908  372.648   44.584  480.323  122.812  433.193   26.373  470.018   66.957 -36.82465 71.96378 
1 1 1    4    4   28 o  384.429   20.696  296.467   30.485  298.177   39.629  293.987   47.712  386.769   26.256  382.089   31.999 4.680115 41.39205 
1 1 1    4    4   29 o  985.947   40.392  2010.84  155.410   0.0000   0.0000  2010.84  155.410  ?   ?   985.947   40.392      ?      ? 
1 1 1    4    4   30 o  300.164   21.538  180.908   24.841  174.098   32.175  190.957   39.084  294.059   28.038  306.269   32.701 -12.21024 43.07585 
1 1 1    4    4   31 o  289.731   22.248  166.494   24.826  142.076   32.180  202.388   39.016  264.267   31.204  315.196   31.720 -50.92850 44.49581 
1 1 1    4    4   32 f  288.322   27.321  178.051   29.710  155.690   46.374  193.618   38.693  269.594   44.079  307.050   32.292 -37.45615 54.64194 
1 1 1    4    4   33 o  374.283   51.834  383.983   46.092  390.849   48.952  330.318  136.856  436.788   28.719  311.778   99.611 125.0096 103.6687 
1 1 1    4    4   34 o  293.563   22.546  179.682   25.808  170.367   36.191  189.320   36.813  285.463   32.487  301.663   31.271 -16.19983 45.09245 
1 1 1    4    4   35 o  237.751   45.861  121.616   30.944  113.921   32.629  190.421   97.568  231.252   36.156  244.250   84.294 -12.99800 91.72130 
1 1 1    4    4   36 o  167.374   36.086   45.784   18.435  110.354   53.805   37.196   19.622  205.206   61.974  129.542   36.986 75.66438 72.17142 
1 1 1    4    5    0 o  110.433   41.968   17.034   24.978   17.034   24.978   0.0000   0.0000  110.433   41.968  ?   ?       ?      ? 
1 1 1    4    5    1 o  143.020   51.139   34.883   36.134   34.883   36.134   0.0000   0.0000  143.020   51.139  ?   ?       ?      ? 
1 1 1    4    5    2 o  134.927   49.001   29.926   33.329   29.926   33.329   0.0000   0.0000  134.927   49.001  ?   ?       ?      ? 
1 1 1    4    5    3 o  292.408   40.135  158.733   41.663  126.836   49.714  233.989   76.361  247.815   53.010  337.001   60.277 -89.18600 80.27088 
1 1 1    4    5    4 o  894.630   65.983  1668.68  230.253  1739.11  330.036  1601.89  321.392  913.461   92.585  875.799   94.037 37.66284 131.9654 
1 1 1    4    5    5 o   81.582   22.274   8.7080   9.6741   9.8883   11.785   6.2701   16.938   79.358   29.090   83.806   33.738 -4.447304 44.54758 
1 1 1    4    5    6 f  742.204   81.134  1284.17  211.554  1501.82  271.702  949.042  337.145  851.186   81.797  633.221  140.143 217.9650 162.2673 
1 1 1    4    5    7 o  144.989   34.146   40.384   22.254   44.672   27.519   32.281   37.831  148.714   44.189  141.264   52.067 7.450287 68.29105 
1 1 1    4    5    8 o   95.450   37.317   11.026   20.150   11.026   20.150   0.0000   0.0000   95.450   37.317  ?   ?       ?      ? 
1 1 1    4    5    9 f  645.535   91.607  1028.66  222.728  995.270  312.271  1063.23  317.771  633.393  130.673  657.677  128.421 -24.28418 183.2142 
1 1 1    4    5   10 o  220.518   68.702  103.394   65.480   0.0000   0.0000  103.394   65.480  ?   ?   220.518   68.702      ?      ? 
1 1 1    4    5   12 o  286.114   33.177  162.816   37.044  162.816   37.044   0.0000   0.0000  286.114   33.177  ?   ?       ?      ? 
1 1 1    4    5   13 o  449.241   51.311  480.004   47.207  491.433   49.586  369.402  154.257  499.406   25.444  399.075   99.418 100.3311 102.6224 
1 1 1    4    5   14 o  350.354   42.735  230.730   30.944  226.174   32.176  286.858  112.940  339.145   24.311  361.563   81.939 -22.41840 85.46936 
1 1 1    4    5   15 o  1025.75   96.032  2442.39  164.207  2440.90  169.411  2465.64  667.632  1108.56   39.161  942.944  188.030 165.6129 192.0645 
1 1 1    4    5   16 o  942.214   78.042  1847.55  128.307  1834.84  131.995  2065.47  546.631  963.384   35.109  921.044  152.083 42.34003 156.0836 
1 1 1    4    5   17 o  683.939   63.168  976.657   78.087  974.306   80.746  1010.59  306.782  703.568   29.409  664.309  122.864 39.25977 126.3351 
1 1 1    4    5   18 o  104.581   29.265   6.2429   15.858  -0.7287   18.245   27.786   32.073   78.280   33.514  130.882   47.986 -52.60104 58.53094 
1 1 1    4    5   19 o  1095.48   32.442  2370.15  131.035  2324.67  160.260  2461.87  227.595  1083.49   37.903  1107.48   52.662 -23.98828 64.88368 
1 1 1    4    5   20 o  935.708   29.985  1716.49  101.898  1672.55  122.678  1814.27  182.990  919.896   34.174  951.519   49.281 -31.62292 59.97067 
1 1 1    4    5   21 o  578.961   24.938  611.794   49.623  560.370   56.850  776.362  101.700  533.552   27.304  624.372   41.739 -90.82007 49.87642 
1 1 1    4    5   22 o  583.242   20.360  671.498   46.222  684.474   63.526  656.899   67.381  589.477   27.615  577.007   29.924 12.47034 40.71929 
1 1 1    4    5   23 o  1357.02   32.984  3626.31  171.405  3352.88  218.948  4059.17  275.481  1294.82   43.331  1419.21   49.741 -124.3914 65.96769 
1 1 1    4    5   24 o  520.677   30.282  536.188   61.529   0.0000   0.0000  536.188   61.529  ?   ?   520.677   30.282      ?      ? 
1 1 1    4    5   25 o  271.033   20.302  146.174   21.303  152.469   28.778  138.543   31.686  277.806   26.545  264.261   30.726 13.54459 40.60486 
1 1 1    4    5   26 o  629.696   35.131  763.796   63.138  740.363   68.535  895.254  162.326  610.499   28.767  648.893   64.104 -38.39435 70.26243 
1 1 1    4    5   27 o  340.161   20.348  227.201   26.618  210.947   34.355  251.614   42.103  325.613   27.037  354.709   30.416 -29.09604 40.69602 
1 1 1    4    5   28 o  416.171   21.110  351.156   33.690  369.000   44.482  327.149   51.596  429.940   26.512  402.401   32.857 27.53937 42.21902 
1 1 1    4    5   29 o  353.812   21.603  249.592   29.129  238.050   37.032  268.325   47.176  344.354   27.557  363.269   33.278 -18.91537 43.20697 
1 1 1    4    5   30 o  281.183   21.823  156.262   23.638  130.251   30.815  193.451   36.845  253.363   31.166  309.002   30.555 -55.63918 43.64568 
1 1 1    4    5   31 o  395.849   26.703  328.982   40.182  306.169   62.929  344.687   52.212  381.081   42.315  410.617   32.584 -29.53568 53.40683 
1 1 1    4    5   32 o  314.860   26.664  201.145   31.771  235.947   53.166  181.812   39.625  333.454   40.857  296.266   34.273 37.18808 53.32827 
1 1 1    4    5   33 o  159.489   28.193   59.554   17.767   40.229   28.869   71.337   22.542  136.077   45.874  182.900   32.787 -46.82239 56.38648 
1 1 1    4    5   34 o  208.942   24.396   86.359   18.764  128.097   31.653   63.743   23.300  247.261   32.804  170.623   36.119 76.63852 48.79217 
1 1 1    4    5   35 o   98.511   26.427   17.185   12.881   9.0151   27.098   19.570   14.641   99.024   41.547   97.998   32.669 1.025391 52.85312 
1 1 1    4    5   36 o  256.460   34.957  162.710   31.076  129.547   55.264  178.046   37.581  222.774   61.534  290.145   33.191 -67.37091 69.91454 
1 1 1    4    6    0 o  112.930   29.762   18.718   17.757   12.134   25.003   25.420   25.224  104.749   41.379  121.112   42.788 -16.36321 59.52367 
1 1 1    4    6    1 o  294.033   55.238  183.034   64.575  167.656   90.548  198.950   92.117  281.823   79.100  306.242   77.125 -24.41959 110.4760 
1 1 1    4    6    2 o  415.551   54.078  354.404   80.806  345.327   98.651  372.912  140.867  414.374   61.007  416.729   89.307 -2.354858 108.1551 
1 1 1    4    6    3 o  119.118   30.000   24.539   17.198   27.801   21.155   18.182   29.531  120.593   39.226  117.643   45.402 2.950439 60.00006 
1 1 1    4    6    4 o  793.501   75.696  1355.24  220.883  1353.36  271.862  1358.90  378.879  805.768   86.458  781.234  124.276 24.53473 151.3923 
1 1 1    4    6    5 o  245.073   42.606  131.962   39.930  150.529   49.511   97.416   67.535  270.781   48.642  219.366   69.963 51.41533 85.21103 
1 1 1    4    6    6 o  1004.74  113.155  2596.16  399.809  2871.56  507.342  2144.88  649.445  1134.36  114.608  875.111  195.143 259.2512 226.3098 
1 1 1    4    6    7 o  722.028   83.886  1106.93  236.361  1106.93  236.361   0.0000   0.0000  722.028   83.886  ?   ?       ?      ? 
1 1 1    4    6    8 o  237.230   55.440  119.052   50.402  119.052   50.402   0.0000   0.0000  237.230   55.440  ?   ?       ?      ? 
1 1 1    4    6    9 o  150.376   53.513   41.003   39.521   41.003   39.521   0.0000   0.0000  150.376   53.513  ?   ?       ?      ? 
1 1 1    4    6   10 o  642.721   96.471  1094.07  234.477  1104.92  332.534  1083.35  330.677  646.389  136.130  639.053  136.730 7.335815 192.9416 
1 1 1    4    6   11 o  605.659  127.987  940.095  293.029   0.0000   0.0000  940.095  293.029  ?   ?   605.659  127.987      ?      ? 
1 1 1    4    6   12 o  436.471   70.074  442.286  116.669  418.695  163.587  466.708  166.440  423.312  100.524  449.629   97.654 -26.31735 140.1475 
1 1 1    4    6   13 o  130.676   32.016   28.316   17.345   25.462   19.672   38.290   36.771  115.325   37.841  146.027   51.654 -30.70186 64.03180 
1 1 1    4    6   14 o  164.540   26.081   73.483   13.196   82.621   14.230   17.416   35.250  205.380   17.755  123.699   49.047 81.68147 52.16206 
1 1 1    4    6   15 o  305.125   35.918  142.419   24.182  133.129   25.133  258.289   88.757  260.323   24.740  349.926   67.442 -89.60324 71.83685 
1 1 1    4    6   16 o  365.081   41.711  237.780   31.381  231.278   32.585  320.880  116.486  343.238   24.327  386.924   79.797 -43.68597 83.42289 
1 1 1    4    6   17 o  117.276   29.150   24.218   16.872   31.809   21.237   11.229   27.780  126.750   39.066  107.801   43.275 18.94929 58.29954 
1 1 1    4    6   18 o  649.751   54.050  766.491   65.775  752.310   67.705  1004.63  277.448  618.482   28.052  681.020  104.397 -62.53802 108.1005 
1 1 1    4    6   19 o  1392.18  146.081  4868.72  296.837  4831.87  304.189  5603.56  1358.32  1552.89   50.196  1231.47  287.818 321.4148 292.1622 
1 1 1    4    6   20 o  713.492   67.783  1119.64   87.056  1122.74   90.169  1076.96  334.194  754.521   30.623  672.462  132.063 82.05963 135.5668 
1 1 1    4    6   21 o  607.181   60.440  780.206   67.409  778.941   69.812  797.643  259.147  628.750   28.453  585.612  117.484 43.13873 120.8806 
1 1 1    4    6   22 o  793.090   64.280  1148.41   89.196  1124.50   91.443  1617.06  404.873  754.532   31.056  831.648  124.752 -77.11621 128.5594 
1 1 1    4    6   23 o  751.821   51.269  1142.81  150.418   0.0000   0.0000  1142.81  150.418  ?   ?   751.821   51.269      ?      ? 
1 1 1    4    6   24 o  566.525   29.760  564.148   50.788  523.606   55.392  778.075  127.241  514.957   27.564  618.093   52.752 -103.1360 59.51990 
1 1 1    4    6   25 o  933.274   59.318  1813.41  216.036   0.0000   0.0000  1813.41  216.036  ?   ?   933.274   59.318      ?      ? 
1 1 1    4    6   27 o  615.485   33.427  708.553   60.351  670.531   65.664  915.360  153.142  579.221   29.051  651.750   60.212 -72.52893 66.85357 
1 1 1    4    6   28 o  417.119   27.397  348.307   44.596  348.307   44.596   0.0000   0.0000  417.119   27.397  ?   ?       ?      ? 
1 1 1    4    6   29 o  244.223   52.699  108.175   27.495  105.109   28.004  190.217  144.864  227.708   31.515  260.738  100.577 -33.03018 105.3988 
1 1 1    4    6   30 o  410.291   26.916  341.871   41.682  374.517   69.419  323.467   52.123  422.709   42.083  397.874   33.570 24.83502 53.83260 
1 1 1    4    6   32 f  267.803   23.063  148.310   24.065  139.620   34.077  156.955   33.990  259.489   33.652  276.116   31.545 -16.62714 46.12508 
1 1 1    4    6   33 o  158.278   26.118   46.634   14.920   82.153   28.288   32.943   17.562  193.291   38.850  123.265   34.919 70.02620 52.23674 
1 1 1    4    6   34 o  130.445   26.700   26.288   12.806   65.039   28.028   16.064   14.397  169.233   42.499   91.656   32.332 77.57706 53.39964 
1 1 1    4    6   35 o  330.532   27.253  224.290   33.229  273.395   59.281  201.792   40.126  351.500   43.217  309.564   33.216 41.93607 54.50700 
1 1 1    4    6   36 o  190.347   33.194   67.462   20.242  124.432   47.758   54.987   22.349  223.777   55.064  156.918   37.083 66.85927 66.38712 
1 1 1    4    7    0 o  688.169   89.962  1084.62  232.662  1119.06  331.851  1051.34  326.286  700.006  126.120  676.332  128.320 23.67383 179.9230 
1 1 1    4    7    1 o  485.216   71.482  518.585  130.958  515.816  185.009  521.365  185.396  483.803  101.243  486.628  100.937 -2.824249 142.9632 
1 1 1    4    7    2 o  560.813   58.475  622.703  120.073  566.756  144.034  750.166  217.404  526.480   70.105  595.146   93.608 -68.66614 116.9493 
1 1 1    4    7    3 o  309.939   38.340  195.811   45.450  199.767   64.449  191.897   64.104  315.549   52.338  304.328   56.042 11.22067 76.68098 
1 1 1    4    7    4 o  380.923   39.485  292.625   58.612  314.602   84.117  271.886   81.713  395.101   54.556  366.745   57.095 28.35620 78.96976 
1 1 1    4    7    5 o  450.470   43.888  412.858   76.627  481.778  111.674  351.535  105.339  486.914   58.771  414.027   65.197 72.88687 87.77660 
1 1 1    4    7    6 o  110.980   25.853   23.362   13.130   28.059   18.047   18.079   19.139  118.469   35.918  103.492   37.196 14.97757 51.70689 
1 1 1    4    7    7 o  207.686   41.904   92.298   34.879   98.254   42.954   80.769   59.760  215.843   51.680  199.529   65.978 16.31364 83.80878 
1 1 1    4    7    8 o  585.157   74.224  731.764  169.493  731.764  169.493   0.0000   0.0000  585.157   74.224  ?   ?       ?      ? 
1 1 1    4    7    9 o  422.993   56.588  396.228   86.170  398.999  106.013  390.835  147.930  437.016   62.163  408.971   94.576 28.04443 113.1759 
1 1 1    4    7   10 o  609.365  128.758  954.231  296.596   0.0000   0.0000  954.231  296.596  ?   ?   609.365  128.758      ?      ? 
1 1 1    4    7   11 o  442.542  100.206  456.935  169.032   0.0000   0.0000  456.935  169.032  ?   ?   442.542  100.206      ?      ? 
1 1 1    4    7   12 o  546.849   79.636  701.777  164.277  737.944  235.099  667.269  229.643  562.235  111.092  531.462  114.133 30.77246 159.2725 
1 1 1    4    7   13 o  1010.40  159.519  3272.46  612.999  3483.98  886.625  3078.75  848.457  1047.35  223.723  973.439  227.449 73.91455 319.0383 
1 1 1    4    7   14 o  398.368   49.776  323.994   50.306  321.112   53.822  343.914  141.496  402.999   34.224  393.738   93.484 9.260254 99.55124 
1 1 1    4    7   15 o  1212.49  118.061  3394.22  294.238  3340.56  308.463  3936.11  980.240  1282.98   61.610  1141.99  227.942 140.9940 236.1217 
1 1 1    4    7   16 o  545.259   55.366  580.493   76.209  565.951   81.416  683.398  216.579  534.480   39.034  556.038  103.624 -21.55798 110.7319 
1 1 1    4    7   17 o  317.698   42.425  253.400   31.197  266.524   33.116  149.916   92.990  368.612   23.022  266.785   81.667 101.8264 84.85028 
1 1 1    4    7   18 o  581.242   57.677  715.276   62.813  716.005   65.167  705.739  235.817  603.377   27.676  559.106  111.985 44.27026 115.3545 
1 1 1    4    7   19 o  676.370   63.350  958.078   77.543  955.174   80.195  999.829  304.044  696.308   29.513  656.431  123.216 39.87683 126.7009 
1 1 1    4    7   20 o  452.461   53.313  517.690   50.148  538.625   52.887  331.129  157.878  523.335   25.896  381.587  103.433 141.7482 106.6254 
1 1 1    4    7   21 o  693.220   68.439  1042.35  111.952  1039.97  119.229  1060.08  325.425  722.065   42.313  664.375  130.174 57.68976 136.8779 
1 1 1    4    7   22 o  523.726  112.958  640.386  224.077   0.0000   0.0000  640.386  224.077  ?   ?   523.726  112.958      ?      ? 
1 1 1    4    7   23 o  482.453   52.544  449.342   48.220  441.949   49.883  554.741  188.345  473.426   27.000  491.481  101.560 -18.05469 105.0874 
1 1 1    4    7   24 o  568.677   60.447  670.461   61.843  664.269   63.864  763.679  247.801  579.565   28.237  557.788  117.549 21.77722 120.8931 
1 1 1    4    7   25 o  248.391   27.174  122.232   26.341  122.232   26.341   0.0000   0.0000  248.391   27.174  ?   ?       ?      ? 
1 1 1    4    7   26 o  815.932   88.357  1489.99  109.617  1461.34  112.202  2090.42  513.633  853.174   33.700  778.691  173.470 74.48218 176.7136 
1 1 1    4    7   27 o  449.775   56.136  340.879   42.960  325.941   43.940  664.731  204.591  403.871   27.879  495.679  108.756 -91.80777 112.2728 
1 1 1    4    7   28 o  430.813   39.422  354.767   42.831  340.143   45.395  473.360  129.271  411.566   28.264  450.059   73.604 -38.49332 78.84408 
1 1 1    4    7   29 f  430.709   45.820  438.712   48.065  445.324   51.750  397.180  129.696  470.266   28.199  391.153   87.193 79.11224 91.63908 
1 1 1    4    7   30 o  176.924   43.953   68.659   42.748  103.617   50.962 -14.3268   78.520  211.088   59.375  142.760   64.822 68.32877 87.90538 
1 1 1    4    7   31 o  318.759   43.737  239.351   51.619  244.924   65.825  230.452   83.185  334.032   50.498  303.487   71.426 30.54483 87.47437 
1 1 1    4    7   32 o  182.669   43.416   64.548   27.090   57.996   28.936  111.049   77.085  160.471   44.600  204.868   74.502 -44.39630 86.83171 
1 1 1    4    7   33 o  255.961   39.464  201.168   35.696  232.001   39.797   74.269   80.738  334.620   30.477  177.301   72.806 157.3195 78.92772 
1 1 1    4    7   34 o  216.325   40.756  128.557   32.365  137.842   35.158   76.975   82.868  254.930   35.340  177.719   73.453 77.21141 81.51198 
1 1 1    4    7   35 o  176.617   44.750   81.434   37.785   89.468   41.798   45.516   88.376  191.022   53.787  162.212   71.534 28.80986 89.49902 
1 1 1    4    8    0 o  797.954  152.590  1602.07  457.838   0.0000   0.0000  1602.07  457.838  ?   ?   797.954  152.590      ?      ? 
1 1 1    4    8    1 o  364.368   62.676  293.352   88.264  296.707  125.488  290.067  124.171  366.427   88.707  362.309   88.568 4.118378 125.3522 
1 1 1    4    8    2 o  193.156   44.765   74.385   38.973   70.022   55.330   78.680   54.906  189.160   63.510  197.152   63.105 -7.992081 89.53075 
1 1 1    4    8    3 o  359.171   52.185  282.474   68.387  246.727  115.818  301.608   84.737  333.095   87.842  385.247   56.364 -52.15216 104.3697 
1 1 1    4    8    4 o  627.360   72.976  914.807  162.301  802.118  270.681  978.063  202.800  574.357  124.368  680.363   76.383 -106.0059 145.9512 
1 1 1    4    8    5 o  527.326   63.724  616.513  119.822  617.276  206.786  616.128  147.019  512.696  106.821  541.956   69.515 -29.26013 127.4480 
1 1 1    4    8    6 o  292.768   49.872  186.364   54.158  189.342   93.221  184.846   66.538  291.151   79.714  294.386   59.956 -3.234558 99.74457 
1 1 1    4    8    7 o  540.230   81.397  717.641  166.377  786.393  240.406  654.442  230.493  568.583  112.332  511.876  117.829 56.70682 162.7945 
1 1 1    4    8    8 o  426.825   69.951  430.939  114.302  457.963  163.409  405.050  159.941  441.409   97.469  412.240  100.362 29.16931 139.9030 
1 1 1    4    8    9 o  479.262   62.944  530.540  108.007  563.893  134.156  469.100  182.084  517.838   66.387  440.686  106.960 77.15155 125.8878 
1 1 1    4    8   10 o  146.248   37.118   37.898   26.945   38.077   38.136   37.718   38.076  146.461   52.519  146.036   52.466 0.4255981 74.23528 
1 1 1    4    8   11 o  380.664   91.150  326.064  133.611   0.0000   0.0000  326.064  133.611  ?   ?   380.664   91.150      ?      ? 
1 1 1    4    8   12 f  276.942   77.316  165.963   86.753   0.0000   0.0000  165.963   86.753  ?   ?   276.942   77.316      ?      ? 
1 1 1    4    8   13 o  318.714   82.750  221.502  103.830   0.0000   0.0000  221.502  103.830  ?   ?   318.714   82.750      ?      ? 
1 1 1    4    8   14 o  295.375   79.540  187.966   93.726   0.0000   0.0000  187.966   93.726  ?   ?   295.375   79.540      ?      ? 
1 1 1    4    8   15 o  176.723   36.305   63.846   24.402   66.062   28.110   57.069   49.154  178.999   41.109  174.447   59.852 4.551788 72.60981 
1 1 1    4    8   16 o  559.346   59.479  686.042   80.495  694.933   86.202  625.484  224.967  592.692   37.270  526.000  112.969 66.69159 118.9583 
1 1 1    4    8   17 o  488.230   53.014  519.499   50.846  523.622   53.010  472.074  179.797  516.211   26.315  460.249  102.711 55.96204 106.0285 
1 1 1    4    8   18 o  356.920   43.710  362.061   37.263  398.702   40.282  144.737   98.104  450.758   22.900  263.082   84.367 187.6754 87.41990 
1 1 1    4    8   19 o  785.732   75.428  1411.13  141.712  1428.86  151.958  1292.75  392.584  845.455   46.057  726.008  143.653 119.4468 150.8559 
1 1 1    4    8   20 o  241.956   41.103  124.110   29.014  126.474   31.186  108.896   79.124  253.061   31.580  230.850   75.898 22.21124 82.20596 
1 1 1    4    8   21 o  185.093   36.612   75.036   20.644   79.172   21.674   34.603   67.763  200.456   27.707  169.730   67.781 30.72513 73.22475 
1 1 1    4    8   22 o  509.016   58.490  622.355   58.430  635.537   61.101  481.416  199.790  567.752   27.578  450.279  113.682 117.4731 116.9794 
1 1 1    4    8   23 o  833.950   33.041  1380.14  107.529  1380.14  107.529   0.0000   0.0000  833.950   33.041  ?   ?       ?      ? 
1 1 1    4    8   24 o  609.141   28.789  735.233   68.434  735.233   68.434   0.0000   0.0000  609.141   28.789  ?   ?       ?      ? 
1 1 1    4    8   25 f  594.270   63.200  715.304   65.152  702.169   67.047  937.851  275.980  594.239   28.912  594.301  123.049 -0.6213379E-01 126.4003 
1 1 1    4    8   26 o  549.340   70.045  828.679   71.761  844.126   74.619  638.542  261.794  649.930   29.421  448.749  136.967 201.1815 140.0906 
1 1 1    4    8   27 o  220.706   50.055   82.856   23.596   81.159   23.976  135.097  133.040  200.817   30.595  240.595   95.321 -39.77812 100.1105 
1 1 1    4    8   28 o  161.702   46.387   39.598   20.281   40.638   20.497  -8.9504  139.990  138.281   37.180  185.123   84.998 -46.84247 92.77351 
1 1 1    4    8   29 o  292.898   55.352  216.573   36.291  217.629   37.084  192.662  176.442  328.352   28.941  257.444  106.855 70.90833 110.7046 
1 1 1    4    8   30 o  277.923   63.472  195.926   62.966  188.595   67.041  250.785  183.390  283.186   62.353  272.661  110.576 10.52451 126.9445 
1 1 1    4    8   31 o  301.761   55.595  266.817   42.875  270.393   43.887  191.966  200.804  363.265   30.959  240.258  106.792 123.0076 111.1892 
1 1 1    4    8   32 o  210.607   49.077  105.898   32.483  105.980   33.393  104.449  140.106  219.605   40.457  201.611   89.428 17.99400 98.15364 
1 1 1    4    8   33 o  306.051   53.491  319.539   69.959  362.987   78.890  159.583  151.370  397.627   50.841  214.475   94.130 183.1522 106.9822 
1 1 1    4    8   34 o  287.399   42.793  181.962   47.995  181.962   47.995   0.0000   0.0000  287.399   42.793  ?   ?       ?      ? 
1 1 1    4    8   35 o  224.970   44.492  138.465   34.276  141.795   36.273  110.694  104.751  257.223   36.136  192.716   81.315 64.50705 88.98323 
1 1 1    4    9    0 o  229.278   44.738  111.517   39.918  110.649   49.062  113.216   68.661  228.289   55.590  230.266   70.113 -1.977295 89.47662 
1 1 1    4    9    1 o  351.117   60.881  277.227   83.144  236.452  115.100  321.721  120.234  322.663   88.672  379.571   83.445 -56.90878 121.7610 
1 1 1    4    9    2 o  535.381   79.766  688.489  161.402  744.051  232.337  636.666  224.386  559.008  110.422  511.754  115.143 47.25397 159.5328 
1 1 1    4    9    3 o  303.024   49.723  197.227   55.227  210.841   95.609  190.410   67.655  307.215   79.233  298.834   60.098 8.381165 99.44640 
1 1 1    4    9    4 o  145.920   35.150   37.835   23.150   52.873   39.344   29.871   28.631  162.906   53.518  128.934   45.583 33.97159 70.29938 
1 1 1    4    9    5 o  541.113   63.888  632.681  123.049  747.967  221.488  581.214  147.988  560.893  105.051  521.333   72.741 39.56030 127.7766 
1 1 1    4    9    6 o   88.778   25.301   6.4966   13.300   12.549   21.101   2.5071   17.131   98.441   38.270   79.114   33.104 19.32663 50.60131 
1 1 1    4    9    7 o  314.618   56.608  221.073   70.520  276.393  102.890  172.061   96.845  352.580   76.941  276.657   83.054 75.92261 113.2159 
1 1 1    4    9    8 o  325.295   59.034  237.721   75.654  273.814  109.367  204.602  104.763  349.658   81.634  300.932   85.300 48.72641 118.0689 
1 1 1    4    9    9 f  297.897   56.123  195.090   66.712  226.044   96.926  167.227   91.960  320.077   78.254  275.717   80.470 44.35986 112.2458 
1 1 1    4    9   10 o  643.185  127.343  1000.75  308.318   0.0000   0.0000  1000.75  308.318  ?   ?   643.185  127.343      ?      ? 
1 1 1    4    9   11 o  508.817   73.438  583.662  140.814  676.474  205.915  502.131  192.995  550.376   99.537  467.258  108.005 83.11816 146.8763 
1 1 1    4    9   12 o  713.327   89.541  1167.09  241.772  1427.89  363.902  961.004  323.489  795.275  117.256  631.378  135.357 163.8969 179.0827 
1 1 1    4    9   13 o  825.232  108.835  1682.19  337.500  1757.35  483.963  1611.02  470.898  845.348  152.307  805.116  155.508 40.23260 217.6695 
1 1 1    4    9   14 o  1036.43  144.809  2993.68  564.560  3210.81  818.588  2796.70  779.651  1077.41  202.118  995.456  207.429 81.95319 289.6179 
1 1 1    4    9   15 o  1074.75  149.953  3249.32  605.129  3712.48  899.198  2865.94  818.101  1153.94  207.301  995.554  216.726 158.3909 299.9064 
1 1 1    4    9   16 o  587.443   60.284  726.000   85.249  724.789   90.918  734.812  245.264  604.938   38.513  569.949  114.251 34.98914 120.5673 
1 1 1    4    9   17 o  428.152   68.716  405.674  112.080  424.847  162.941  388.455  154.413  437.609   97.867  418.695   96.487 18.91431 137.4325 
1 1 1    4    9   18 o  221.204   37.916  104.440   25.585  107.573   27.741   86.600   66.194  233.576   30.435  208.832   69.457 24.74423 75.83247 
1 1 1    4    9   19 o  440.440   39.896  313.720   39.006  298.788   40.518  502.793  144.176  389.661   26.646  491.220   75.212 -101.5584 79.79211 
1 1 1    4    9   20 o  421.731   26.529  350.105   43.660  350.105   43.660   0.0000   0.0000  421.731   26.529  ?   ?       ?      ? 
1 1 1    4    9   21 o  875.153   80.553  1650.26  119.483  1638.14  123.086  1848.29  497.520  909.018   34.698  841.288  157.326 67.72992 161.1069 
1 1 1    4    9   22 o  375.757   28.892  278.887   42.366  278.887   42.366   0.0000   0.0000  375.757   28.892  ?   ?       ?      ? 
1 1 1    4    9   23 o  563.169   28.547  627.544   62.738  627.544   62.738   0.0000   0.0000  563.169   28.547  ?   ?       ?      ? 
1 1 1    4    9   24 o  563.347   28.721  629.920   63.141  629.920   63.141   0.0000   0.0000  563.347   28.721  ?   ?       ?      ? 
1 1 1    4    9   25 o  385.049   53.842  311.862   40.683  307.993   42.100  366.458  158.161  393.555   27.412  376.542  104.135 17.01297 107.6830 
1 1 1    4    9   26 o  586.200   29.007  687.886   66.356  687.886   66.356   0.0000   0.0000  586.200   29.007  ?   ?       ?      ? 
1 1 1    4    9   27 f  178.283   44.980   60.230   20.981   61.850   21.255  -1.4201  131.120  172.136   32.839  184.431   83.753 -12.29504 89.96069 
1 1 1    4    9   28 o  502.821  204.571  2216.36  630.058   0.0000   0.0000  2216.36  630.058  ?   ?   502.821  204.571      ?      ? 
1 1 1    4    9   29 o  469.466  172.526  1278.96  414.930   0.0000   0.0000  1278.96  414.930  ?   ?   469.466  172.526      ?      ? 
1 1 1    4    9   30 o  243.792   52.944  143.450   34.230  144.718   34.830  107.538  185.322  265.253   33.648  222.332  100.400 42.92067 105.8888 
1 1 1    4    9   31 o  147.412   51.686 -20.0949   16.734 -22.6090   16.832  194.346  155.455   55.792   26.769  239.033   99.846 -183.2411 103.3719 
1 1 1    4    9   32 o  232.277   43.115  173.104   42.024  193.883   44.165 -25.7444  136.622  301.658   37.517  162.896   77.641 138.7615 86.23042 
1 1 1    4    9   33 o  288.532   48.021  291.759   53.549  320.151   57.044   81.130  155.375  386.343   37.836  190.720   88.274 195.6224 96.04130 
1 1 1    4    9   34 o  314.473   34.428  209.417   42.251  209.417   42.251   0.0000   0.0000  314.473   34.428  ?   ?       ?      ? 
1 1 1    4    9   35 o  212.304   42.768  140.825   36.929  152.067   38.098 -33.9549  150.219  265.489   36.773  159.120   77.229 106.3693 85.53658 
1 1 1    4   10    0 o  318.326   50.718  216.394   58.642  202.235   71.478  245.546  102.562  306.759   61.845  329.893   80.401 -23.13370 101.4354 
1 1 1    4   10    1 o  220.169   42.704   98.261   36.058   85.132   43.879  125.567   63.281  200.110   54.648  240.228   65.637 -40.11813 85.40894 
1 1 1    4   10    2 o  402.293   57.229  366.602   83.390  384.013  102.918  333.321  142.288  429.000   61.475  375.586   96.548 53.41394 114.4586 
1 1 1    4   10    3 o  127.980   30.718   30.926   18.277   29.515   25.033   32.538   26.747  125.280   42.716  130.680   44.156 -5.399879 61.43588 
1 1 1    4   10    4 o  445.324   43.469  413.097   75.485  435.809  108.224  391.579  105.338  457.639   60.599  433.010   62.339 24.62888 86.93880 
1 1 1    4   10    5 o  318.315   41.575  212.943   50.477  232.844   71.730  193.419   71.046  336.760   54.581  299.869   62.728 36.89142 83.15015 
1 1 1    4   10    6 o  109.219   27.601   20.586   14.794   20.701   19.638   20.436   22.495  107.760   37.782  110.677   40.247 -2.917297 55.20226 
1 1 1    4   10    7 o  217.986   51.425  100.100   43.038  100.100   43.038   0.0000   0.0000  217.986   51.425  ?   ?       ?      ? 
1 1 1    4   10    8 o  470.277   61.087  497.282  102.672  531.347  127.471  434.365  173.238  507.414   64.375  433.140  103.839 74.27417 122.1743 
1 1 1    4   10    9 o  488.094   60.123  507.087  104.938  492.772  127.925  536.536  183.482  488.582   67.094  487.606   99.787 0.9754639 120.2460 
1 1 1    4   10   10 o  653.506   83.310  965.723  206.036  1198.59  310.449  782.413  275.440  733.906  108.397  573.106  126.540 160.8007 166.6202 
1 1 1    4   10   11 o  416.313   56.579  377.128   85.108  397.975  105.646  338.583  143.649  442.446   61.187  390.180   95.188 52.26630 113.1577 
1 1 1    4   10   12 o  352.539   61.143  270.921   83.520  286.021  119.137  256.327  117.120  362.526   85.585  342.552   87.345 19.97357 122.2865 
1 1 1    4   10   13 o  647.132   86.655  959.338  210.809  983.161  300.240  936.173  296.063  655.814  121.799  638.450  123.294 17.36395 173.3103 
1 1 1    4   10   14 f  245.745   51.783  126.403   53.454  118.781   76.258  133.766   74.951  239.517   74.062  251.972   72.393 -12.45584 103.5658 
1 1 1    4   10   15 f  537.013   76.597  645.344  154.971  657.952  220.745  633.091  217.614  542.475  108.070  531.552  108.578 10.92212 153.1939 
1 1 1    4   10   16 o  202.699   45.126   78.259   40.166  112.880   62.484   53.878   52.435  231.985   65.918  173.414   61.647 58.57106 90.25269 
1 1 1    4   10   17 o  179.351   35.902   66.375   27.970   94.011   38.011   33.739   41.306  212.886   47.010  145.816   54.276 67.06982 71.80397 
1 1 1    4   10   18 o  691.871   68.645  1019.79  112.816  1012.51  120.095  1074.45  329.056  712.498   43.192  671.243  130.319 41.25562 137.2901 
1 1 1    4   10   19 o  164.898   43.253   44.129   37.265   55.108   53.016   33.409   52.390  174.308   61.985  155.488   60.343 18.82039 86.50625 
1 1 1    4   10   20 o  722.041   71.721  1227.01   97.135  1241.42  101.240  1060.13  344.611  792.111   32.752  651.971  139.654 140.1403 143.4426 
1 1 1    4   10   21 f  938.283   35.810  1749.15  131.120  1749.15  131.120   0.0000   0.0000  938.283   35.810  ?   ?       ?      ? 
1 1 1    4   10   22 o  502.648   28.819  499.658   56.530  499.658   56.530   0.0000   0.0000  502.648   28.819  ?   ?       ?      ? 
1 1 1    4   10   23 o  239.667   44.451  123.608   26.786  125.230   27.820  102.974   99.197  251.373   28.360  227.961   84.257 23.41188 88.90182 
1 1 1    4   10   24 o  329.036   51.761  284.189   40.704  294.671   42.606  174.572  137.785  384.972   28.360  273.099   99.561 111.8730 103.5216 
1 1 1    4   10   25 o  430.073   59.729  496.024   52.748  507.780   55.022  362.557  185.399  504.534   27.946  355.612  116.144 148.9219 119.4590 
1 1 1    4   10   26 o  248.578   50.081  131.552   28.915  131.233   29.613  138.062  133.894  255.535   29.696  241.620   95.658 13.91414 100.1618 
1 1 1    4   10   27 o  207.960   49.339   80.252   24.281   80.059   24.639   86.743  142.973  198.732   31.771  217.188   93.424 -18.45607 98.67804 
1 1 1    4   10   28 o  162.841   52.022   15.011   55.098   23.483   59.429 -36.8387  147.024  146.441   61.490  179.240   83.928 -32.79897 104.0432 
1 1 1    4   10   29 o  219.814   53.516   89.020   25.219   88.233   25.465  129.185  181.905  208.104   31.357  231.525  102.336 -23.42111 107.0327 
1 1 1    4   10   30 o  239.707   49.781  158.027   34.290  162.702   34.790  -0.9667  202.901  281.554   31.664  197.860   94.392 83.69420 99.56139 
1 1 1    4   10   31 o  227.661  104.635  193.441  212.889   0.0000   0.0000  193.441  212.889  ?   ?   227.661  104.635      ?      ? 
1 1 1    4   10   32 o  243.005   53.990  157.191   40.689  156.264   41.543  179.019  201.695  269.065   39.564  216.945  100.470 52.12010 107.9791 
1 1 1    4   10   33 o  154.784   50.263   26.817   24.307   25.439   24.550   95.331  173.107  114.206   41.966  195.362   91.347 -81.15601 100.5260 
1 1 1    4   10   34 o  120.241   43.464   29.739   26.179   29.739   26.179   0.0000   0.0000  120.241   43.464  ?   ?       ?      ? 
1 1 1    4   11    0 o  121.485   30.268   26.634   17.679   30.239   22.258   20.471   29.099  124.359   40.218  118.610   45.244 5.749001 60.53526 
1 1 1    4   11    1 o  345.724   52.933  256.966   66.043  245.577   80.519  280.381  115.449  339.164   63.159  352.284   84.963 -13.12082 105.8666 
1 1 1    4   11    2 o  147.464   34.948   38.967   22.511   32.054   27.303   53.646   39.784  130.703   44.610  164.224   53.810 -33.52071 69.89635 
1 1 1    4   11    3 o  301.993   42.279  193.572   48.055  184.643   67.152  202.945   68.798  294.439   60.467  309.547   59.109 -15.10788 84.55844 
1 1 1    4   11    4 o  128.792   30.647   31.178   18.130   28.848   24.280   34.114   27.258  124.070   42.069  133.514   44.578 -9.444344 61.29445 
1 1 1    4   11    5 o  392.515   42.597  316.449   65.134  339.370   92.654  294.054   91.584  407.188   58.309  377.841   62.112 29.34735 85.19318 
1 1 1    4   11    6 o  104.784   27.509   17.017   15.124   22.123   19.684   9.6576   23.632  110.169   37.871   99.398   39.909 10.77095 55.01755 
1 1 1    4   11    7 o  615.128   75.058  791.460  180.175  791.460  180.175   0.0000   0.0000  615.128   75.058  ?   ?       ?      ? 
1 1 1    4   11    8 o  610.125   71.489  865.898  153.967  985.284  195.261  669.642  250.351  689.042   72.617  531.206  123.165 157.8359 142.9786 
1 1 1    4   11    9 o  324.585   51.088  223.973   60.323  222.446   73.936  227.015  104.326  326.355   60.274  322.815   82.504 3.540894 102.1759 
1 1 1    4   11   10 o  395.641   91.787  344.531  138.973   0.0000   0.0000  344.531  138.973  ?   ?   395.641   91.787      ?      ? 
1 1 1    4   11   11 o  446.780   58.784  436.288   94.540  466.720  117.848  381.342  158.353  479.376   62.996  414.184   99.267 65.19287 117.5685 
1 1 1    4   11   12 o  176.608   40.885   58.882   31.932   49.899   40.877   72.945   51.146  162.180   54.588  191.036   60.880 -28.85596 81.76942 
1 1 1    4   11   13 o  154.584   39.165   41.241   30.158   33.124   43.451   48.786   41.890  147.517   55.518  161.650   55.256 -14.13272 78.32912 
1 1 1    4   11   14 o  340.747   86.194  252.545  114.697  252.545  114.697   0.0000   0.0000  340.747   86.194  ?   ?       ?      ? 
1 1 1    4   11   15 o  462.315   70.771  475.279  123.974  477.656  176.357  472.957  174.313  463.296  100.440  461.334   99.730 1.962219 141.5430 
1 1 1    4   11   16 o  474.179   71.946  503.021  129.122  537.122  186.459  471.600  178.984  490.536  100.776  457.822  102.709 32.71420 143.8921 
1 1 1    4   11   17 o  260.997   53.445  138.313   57.522  190.869   90.893  103.203   74.291  296.890   77.589  225.105   73.521 71.78543 106.8898 
1 1 1    4   11   18 o  443.777   47.224  394.899   81.783  394.899   81.783   0.0000   0.0000  443.777   47.224  ?   ?       ?      ? 
1 1 1    4   11   19 o  840.761   48.092  1420.57  157.788  1420.57  157.788   0.0000   0.0000  840.761   48.092  ?   ?       ?      ? 
1 1 1    4   11   20 o  257.633   38.031  116.895   43.336  280.648   68.987   10.158   55.697  373.450   47.337  141.817   59.537 231.6328 76.06228 
1 1 1    4   11   21 o  496.091   54.954  525.613   56.802  524.582   59.465  536.358  191.961  514.968   29.590  477.214  105.850 37.75330 109.9080 
1 1 1    4   11   22 o  774.355   33.407  1194.32  100.952  1194.32  100.952   0.0000   0.0000  774.355   33.407  ?   ?       ?      ? 
1 1 1    4   11   23 o  614.411   30.340  751.751   72.746  751.751   72.746   0.0000   0.0000  614.411   30.340  ?   ?       ?      ? 
1 1 1    4   11   24 o  450.886   58.890  488.669   54.122  492.067   56.511  451.008  188.130  496.527   29.165  405.245  114.112 91.28149 117.7802 
1 1 1    4   11   26 o  341.120   57.727  344.808   76.561  397.066   86.932  164.163  161.627  430.237   51.778  252.003  103.192 178.2345 115.4535 
1 1 1    4   11   27 o  400.553   60.738  526.830   90.634  615.081  102.549  211.890  193.725  536.045   49.023  265.062  111.144 270.9834 121.4752 
1 1 1    4   11   28 o  260.892   59.686  200.035   73.643  228.399   80.692   58.656  180.153  307.986   68.866  213.798   97.506 94.18811 119.3728 
1 1 1    4   11   29 o  173.059   45.440   62.923   23.910   66.642   24.098 -172.7928  191.854  176.521   36.198  169.597   83.360 6.923798 90.87971 
1 1 1    4   11   30 o  186.371   52.672   59.500   24.904   58.987   25.108   90.718  195.916  163.651   39.717  209.092   97.571 -45.44124 105.3449 
1 1 1    4   11   31 o  177.635   52.747   48.809   22.985   47.739   23.138  128.638  199.879  146.468   39.553  208.801   97.798 -62.33284 105.4938 
1 1 1    4   11   32 o  198.753   52.115   85.247   28.261   84.944   28.490  103.824  223.210  196.191   38.587  201.315   96.824 -5.124008 104.2296 
1 1 1    4   11   33 o  211.946   44.275  134.697   34.597  142.562   35.160 -105.0909  194.131  259.306   34.746  164.586   81.449 94.72049 88.55083 
1 1 1    4   11   34 o  231.987   44.155  174.214   36.602  183.114   37.522  -0.5563  166.267  294.408   32.659  169.566   82.048 124.8421 88.30933 
1 1 1    4   12    0 o  535.982   63.175  611.208  120.779  580.341  146.364  677.085  213.824  527.615   71.086  544.350  104.457 -16.73492 126.3505 
1 1 1    4   12    1 o  387.803   55.179  333.159   77.661  357.220   96.240  288.245  131.491  418.201   58.971  357.406   93.282 60.79486 110.3589 
1 1 1    4   12    2 o  889.497   90.817  1804.18  291.535  1674.80  348.402  2106.34  532.443  867.224  102.948  911.771  149.643 -44.54669 181.6347 
1 1 1    4   12    3 o  592.662   52.163  733.944  120.641  737.245  170.441  730.630  170.784  594.135   73.512  591.190   74.027 2.944763 104.3262 
1 1 1    4   12    4 o  426.395   43.644  371.731   72.617  367.878  101.951  375.700  103.458  424.195   61.588  428.596   61.857 -4.400635 87.28855 
1 1 1    4   12    5 o  632.423   53.772  832.965  132.269  929.723  191.983  745.538  182.491  668.616   73.579  596.231   78.432 72.38544 107.5432 
1 1 1    4   12    6 o  196.800   41.378   79.053   32.620   79.245   39.397   78.634   58.169  195.025   51.137  198.574   65.066 -3.548676 82.75671 
1 1 1    4   12    7 o  404.916   60.244  332.966   95.194  332.966   95.194   0.0000   0.0000  404.916   60.244  ?   ?       ?      ? 
1 1 1    4   12    8 o  139.267   34.498   35.085   22.454   38.784   27.218   27.204   39.731  140.359   44.378  138.176   52.829 2.183273 68.99522 
1 1 1    4   12    9 o  733.276   80.315  1226.98  208.583  1300.88  260.091  1093.80  349.163  787.753   84.606  678.799  136.543 108.9542 160.6306 
1 1 1    4   12   10 o  261.468   54.200  144.664   58.941  136.538   85.087  152.160   81.726  255.303   78.115  267.633   75.158 -12.33011 108.4004 
1 1 1    4   12   11 o  614.837   71.092  851.708  154.990  932.255  194.673  712.266  256.141  673.004   74.124  556.670  121.335 116.3344 142.1848 
1 1 1    4   12   12 o  347.129   52.359  256.947   67.631  269.505   84.900  235.141  111.878  365.193   59.573  329.066   86.121 36.12723 104.7179 
1 1 1    4   12   13 o  292.061   51.142  176.645   56.414  160.396   70.755  205.002   93.469  275.244   66.595  308.878   77.633 -33.63382 102.2831 
1 1 1    4   12   14 o  128.204   34.294   23.491   23.358   30.110   35.721   18.547   30.872  136.928   50.571  119.481   46.335 17.44639 68.58820 
1 1 1    4   12   15 o  263.372   78.069  147.828   85.973  147.828   85.973   0.0000   0.0000  263.372   78.069  ?   ?       ?      ? 
1 1 1    4   12   16 o  440.906  101.188  438.977  170.413  438.977  170.413   0.0000   0.0000  440.906  101.188  ?   ?       ?      ? 
1 1 1    4   12   17 o  978.207  212.372  2927.54  787.454  2927.54  787.454   0.0000   0.0000  978.207  212.372  ?   ?       ?      ? 
1 1 1    4   12   18 o  834.739  169.681  1882.02  533.898  1882.02  533.898   0.0000   0.0000  834.739  169.681  ?   ?       ?      ? 
1 1 1    4   12   19 o  127.671   39.238  -3.2568   34.402  -1.5009   60.158  -4.1101   41.935  139.778   60.362  115.563   50.150 24.21465 78.47649 
1 1 1    4   12   20 o  455.382   56.886  424.967  101.092  424.967  101.092   0.0000   0.0000  455.382   56.886  ?   ?       ?      ? 
1 1 1    4   12   21 o  859.249   52.196  1511.81  175.021  1511.81  175.021   0.0000   0.0000  859.249   52.196  ?   ?       ?      ? 
1 1 1    4   12   22 o  399.529   54.369  439.542   51.484  465.162   54.780  245.666  150.694  483.879   29.011  315.179  104.797 168.7003 108.7385 
1 1 1    4   12   23 o  179.499   39.299   68.130   21.487   71.387   22.202   19.998   85.345  189.075   30.090  169.924   72.610 19.15096 78.59821 
1 1 1    4   12   24 o  327.319   51.584  274.457   75.063  429.987   99.594   69.924  114.212  447.506   57.030  207.132   85.971 240.3745 103.1671 
1 1 1    4   12   25 o  188.397   55.759   49.881   70.265   83.604   96.178   11.279  102.900  203.716   80.940  173.077   76.712 30.63890 111.5171 
1 1 1    4   12   26 o  307.837   52.734  265.377   40.759  272.952   42.241  163.085  155.230  367.762   29.433  247.912  101.278 119.8504 105.4685 
1 1 1    4   12   27 f  168.645   46.304   46.035   19.351   46.636   19.542   15.835  138.613  148.193   34.446  189.097   85.964 -40.90443 92.60899 
1 1 1    4   12   28 f  196.775   50.819   75.646   25.833   76.620   26.095   27.863  182.685  189.677   36.580  203.874   94.828 -14.19630 101.6390 
1 1 1    4   12   29 o  173.874   55.124   29.820   19.316   28.492   19.412  162.946  194.358  116.888   37.534  230.860  103.663 -113.9716 110.2484 
1 1 1    4   12   30 o  294.484   51.911  286.638   42.209  293.306   43.056  122.009  213.932  377.757   29.207  211.212   99.628 166.5444 103.8212 
1 1 1    4   12   31 o  383.085   58.221  552.004   58.843  564.267   60.541  342.504  250.237  522.255   29.705  243.916  112.589 278.3395 116.4421 
1 1 1    4   12   32 o  257.930   45.753  229.610   39.444  240.231   40.194 -46.9417  205.110  340.096   30.285  175.763   86.350 164.3332 91.50670 
1 1 1    4   12   33 o  188.864   49.098   76.750   27.764   75.575   28.219  112.286  155.199  183.056   40.569  194.672   89.424 -11.61588 98.19594 
1 1 1    4   13    0 o  950.923  102.209  2171.02  342.600  2137.52  417.934  2239.67  598.194  981.120  109.157  920.726  172.834 60.39331 204.4189 
1 1 1    4   13    1 o  176.812   39.047   63.145   29.079   66.108   35.701   57.306   50.125  178.792   49.486  174.833   60.414 3.958939 78.09465 
1 1 1    4   13    2 f  266.426   45.287  138.683   43.945  116.696   52.733  188.659   79.503  235.582   57.796  297.269   69.737 -61.68700 90.57350 
1 1 1    4   13    3 o  302.663   49.622  189.379   54.533  178.358   66.031  213.018   96.710  291.615   60.025  313.710   79.034 -22.09561 99.24390 
1 1 1    4   13    4 o  889.118   94.024  1820.93  294.997  1772.22  358.036  1923.88  520.561  903.018  101.601  875.219  158.238 27.79858 188.0477 
1 1 1    4   13    5 o  784.515   85.276  1404.61  236.456  1426.16  290.538  1362.32  406.932  819.315   90.870  749.715  144.327 69.60040 170.5510 
1 1 1    4   13    6 o  705.612   71.617  1042.77  183.817  984.882  220.971  1172.81  331.211  686.359   82.500  724.866  117.089 -38.50616 143.2339 
1 1 1    4   13    7 o  683.009   79.803  969.500  212.705  969.500  212.705   0.0000   0.0000  683.009   79.803  ?   ?       ?      ? 
1 1 1    4   13    8 f  870.250   95.723  1614.14  325.082  1614.14  325.082   0.0000   0.0000  870.250   95.723  ?   ?       ?      ? 
1 1 1    4   13    9 o  206.684   54.753   88.887   44.866   88.887   44.866   0.0000   0.0000  206.684   54.753  ?   ?       ?      ? 
1 1 1    4   13   10 o  357.372   89.415  278.879  124.392  278.879  124.392   0.0000   0.0000  357.372   89.415  ?   ?       ?      ? 
1 1 1    4   13   11 o  318.104   62.139  211.540   74.371  211.540   74.371   0.0000   0.0000  318.104   62.139  ?   ?       ?      ? 
1 1 1    4   13   12 o  477.600   66.071  465.617  123.143  465.617  123.143   0.0000   0.0000  477.600   66.071  ?   ?       ?      ? 
1 1 1    4   13   13 o  623.287   76.895  807.676  187.033  807.676  187.033   0.0000   0.0000  623.287   76.895  ?   ?       ?      ? 
1 1 1    4   13   14 o  738.268   83.565  1294.87  218.275  1457.33  277.977  1033.61  352.507  829.523   85.871  647.014  143.382 182.5086 167.1294 
1 1 1    4   13   15 o  608.218   80.977  838.379  187.712  976.289  277.518  722.072  254.857  662.794  107.295  553.643  121.312 109.1519 161.9531 
1 1 1    4   13   16 o  751.921  147.415  1420.81  417.097  1420.81  417.097   0.0000   0.0000  751.921  147.415  ?   ?       ?      ? 
1 1 1    4   13   17 o  191.437   49.514   64.801   47.295   60.628   77.652   67.262   59.632  194.283   73.957  188.592   65.853 5.691177 99.02705 
1 1 1    4   13   18 o  528.900   80.983  661.477  162.217  663.756  233.769  659.360  225.286  528.143  116.547  529.658  112.470 -1.515686 161.9651 
1 1 1    4   13   19 o  397.838  109.010  379.078  174.254  379.078  174.254   0.0000   0.0000  397.838  109.010  ?   ?       ?      ? 
1 1 1    4   13   20 o  332.022   60.058  255.079   78.257  279.593  103.288  222.041  119.907  354.592   76.860  309.452   92.305 45.14026 120.1156 
1 1 1    4   13   21 o  153.918   48.437 -13.7002   55.948  -0.7752   94.574 -20.6590   69.394  169.705   74.444  138.132   61.989 31.57292 96.87389 
1 1 1    4   13   22 o  466.489   63.171  553.730  106.860  674.832  137.391  368.288  170.015  560.726   62.788  372.252  109.636 188.4731 126.3425 
1 1 1    4   13   23 o  297.150   59.631  208.471   78.578  332.190  116.407  104.904  106.505  371.441   82.458  222.858   86.162 148.5831 119.2613 
1 1 1    4   13   24 o  308.459   64.734  258.660   86.589  302.305  112.038  193.923  136.449  348.130   83.536  268.788   98.912 79.34241 129.4671 
1 1 1    4   13   25 o  363.417   57.166  371.288   48.871  380.454   50.983  267.492  171.564  433.981   30.104  292.853  110.298 141.1278 114.3318 
1 1 1    4   13   26 o  221.290   93.488  107.005  138.735   0.0000   0.0000  107.005  138.735  ?   ?   221.290   93.488      ?      ? 
1 1 1    4   13   27 o  303.126  118.835  343.113  204.760   0.0000   0.0000  343.113  204.760  ?   ?   303.126  118.835      ?      ? 
1 1 1    4   13   28 o  164.765   45.832   48.675   20.178   50.324   20.320 -68.4616  171.242  153.196   34.783  176.334   84.808 -23.13748 91.66404 
1 1 1    4   13   29 o  199.900   48.335   88.733   25.471   90.019   25.698   16.804  192.124  208.650   31.561  191.149   91.373 17.50116 96.67036 
1 1 1    4   13   30 o  208.564   45.716  116.793   29.002  120.433   29.344 -36.6360  190.527  240.714   31.238  176.414   85.929 64.29974 91.43110 
1 1 1    4   13   31 o  314.910   49.918  375.413   49.185  389.946   50.326   65.563  232.377  433.904   29.721  195.916   95.310 237.9883 99.83650 
1 1 1    4   13   32 o  117.158   37.534   29.578   19.421   29.578   19.421   0.0000   0.0000  117.158   37.534  ?   ?       ?      ? 
1 1 1    4   13   33 o  229.563   34.232  112.306   30.666  112.306   30.666   0.0000   0.0000  229.563   34.232  ?   ?       ?      ? 
1 1 1    4   14    0 o  1124.12  127.845  3316.91  504.822  3438.45  626.959  3092.84  851.282  1222.67  131.401  1025.57  219.342 197.0997 255.6897 
1 1 1    4   14    1 f  678.800   69.295  959.061  171.774  906.507  207.177  1074.65  307.249  659.917   80.449  697.683  112.850 -37.76593 138.5896 
1 1 1    4   14    2 o  799.563   79.375  1383.70  231.529  1338.01  280.813  1480.70  409.157  795.357   90.474  803.769  130.445 -8.411438 158.7494 
1 1 1    4   14    3 o  342.183   42.624  239.487   55.700  223.136   76.487  257.949   81.274  326.901   62.231  357.466   58.262 -30.56473 85.24753 
1 1 1    4   14    4 o  781.239   62.035  1281.50  188.934  1207.03  261.734  1362.53  273.007  757.019   88.598  805.460   86.856 -48.44098 124.0703 
1 1 1    4   14    5 o  476.155   46.340  461.302   86.089  453.986  120.278  468.987  123.275  472.371   65.248  479.939   65.820 -7.568176 92.68015 
1 1 1    4   14    6 o  293.688   42.594  179.308   47.050  168.564   63.669  192.233   69.835  284.065   59.349  303.311   61.113 -19.24557 85.18806 
1 1 1    4   14    7 o  518.991   48.446  550.013   98.096  541.693  136.957  558.777  140.572  515.091   68.135  522.892   68.890 -7.801025 96.89265 
1 1 1    4   14    8 o  130.099   33.962   25.842   20.581   24.293   23.861   30.346   40.679  117.970   41.623  142.227   53.676 -24.25683 67.92315 
1 1 1    4   14    9 o  306.049   50.951  198.471   57.230  197.975   69.852  199.484   99.815  308.019   60.271  304.080   82.166 3.938812 101.9012 
1 1 1    4   14   10 o  140.981   34.749   36.179   23.776   45.689   29.805   19.538   39.427  151.024   46.236  130.937   51.886 20.08702 69.49762 
1 1 1    4   14   11 o  256.591   48.556  137.161   47.792  131.928   58.888  147.259   81.803  250.193   60.890  262.988   75.650 -12.79607 97.11112 
1 1 1    4   14   12 o  331.467   60.666  240.739   79.111  233.113  111.890  248.363  111.870  326.073   86.507  336.862   85.078 -10.78949 121.3329 
1 1 1    4   14   13 o  198.133   46.809   75.435   43.680   48.411   62.165  101.788   61.387  175.389   66.315  220.878   66.082 -45.48923 93.61876 
1 1 1    4   14   14 o  647.205   83.237  947.022  203.714  1197.25  309.753  756.298  270.426  732.268  108.396  562.143  126.349 170.1252 166.4744 
1 1 1    4   14   15 o  378.434   75.402  308.143  107.444  308.143  107.444   0.0000   0.0000  378.434   75.402  ?   ?       ?      ? 
1 1 1    4   14   16 o  248.811   55.107  130.447   61.936   80.942   90.884  173.377   84.633  215.064   80.419  282.558   75.366 -67.49411 110.2141 
1 1 1    4   14   17 o  576.607   85.286  798.878  185.659  817.565  267.387  781.481  257.987  582.424  121.572  570.791  119.647 11.63306 170.5730 
1 1 1    4   14   18 o  118.022   37.429 -40.5105   22.078   47.489   68.915 -50.5748   23.306  178.082   69.181   57.961   28.597 120.1212 74.85873 
1 1 1    4   14   21 o  187.419   57.329   2.2229   49.914  133.894  150.008 -14.1705   52.930  252.883  100.892  121.956   54.475 130.9267 114.6590 
1 1 1    4   14   22 o  224.423   56.932   91.524   67.393  191.494  105.148   21.822   87.799  278.163   87.124  170.684   73.309 107.4786 113.8635 
1 1 1    4   14   23 f  128.869   43.863 -103.8264   63.359 -70.6058   98.324 -127.4164   82.855  142.955   67.465  114.783   56.074 28.17226 87.72646 
1 1 1    4   14   24 o  301.412   51.700  256.961   44.952  269.256   47.265  140.489  145.475  363.788   33.294  239.036   97.893 124.7523 103.3999 
1 1 1    4   14   25 o  254.496   99.521  181.661  143.337   0.0000   0.0000  181.661  143.337  ?   ?   254.496   99.521      ?      ? 
1 1 1    4   14   26 o  412.375  143.131  742.086  281.501   0.0000   0.0000  742.086  281.501  ?   ?   412.375  143.131      ?      ? 
1 1 1    4   14   27 o  305.623   51.972  305.415   45.319  318.277   46.624   85.260  192.897  395.070   30.241  216.176   99.447 178.8940 103.9432 
1 1 1    4   14   28 f  319.266   56.065  329.542   47.519  335.283   48.621  207.135  224.505  403.552   30.874  234.980  107.797 168.5714 112.1310 
1 1 1    4   14   29 o  232.602   46.422  163.089   32.941  168.607   33.366 -49.5052  207.111  285.715   29.926  179.489   87.889 106.2263 92.84445 
1 1 1    4   14   30 o  127.595   42.231   19.383   16.543   21.202   16.595 -269.4913  209.107  102.289   34.780  152.901   76.968 -50.61217 84.46136 
1 1 1    4   14   31 o   86.292   32.745   12.233   15.191   12.233   15.191   0.0000   0.0000   86.292   32.745  ?   ?       ?      ? 
1 1 1    4   14   32 f  248.524   33.922  131.087   32.898  131.087   32.898   0.0000   0.0000  248.524   33.922  ?   ?       ?      ? 
1 1 1    4   15    0 o  611.913   83.307  847.329  191.555  921.629  278.056  780.214  264.270  639.485  115.680  584.340  119.911 55.14569 166.6148 
1 1 1    4   15    1 o  265.081   55.754  148.306   61.963  156.728   88.561  140.230   86.724  271.641   78.880  258.522   78.816 13.11920 111.5080 
1 1 1    4   15    2 o  1026.95  142.949  2911.29  552.478  2929.42  783.095  2893.32  779.560  1030.54  201.944  1023.35  202.375 7.189819 285.8974 
1 1 1    4   15    3 o  339.165   52.553  246.114   66.620  221.402  110.643  260.168   83.440  319.495   86.582  358.835   59.587 -39.34000 105.1051 
1 1 1    4   15    4 o  376.800   54.910  299.633   76.135  296.137  128.256  301.534   94.607  368.075   90.034  385.525   62.884 -17.44968 109.8204 
1 1 1    4   15    5 o  642.707   72.107  912.094  165.254  853.915  278.978  943.543  205.112  610.440  121.384  674.973   77.871 -64.53320 144.2146 
1 1 1    4   15    6 o  346.345   63.441  261.937   86.166  256.799  116.460  268.152  128.083  343.347   86.855  349.342   92.495 -5.994904 126.8825 
1 1 1    4   15    7 o  309.694   59.127  207.691   73.088  207.707  101.267  207.674  105.593  309.881   82.339  309.507   84.879 0.3740540 118.2548 
1 1 1    4   15    8 o  700.562   93.276  1154.07  245.529  1088.66  341.015  1224.47  353.799  677.937  133.650  723.187  130.150 -45.24921 186.5518 
1 1 1    4   15    9 f  488.089   72.187  530.224  133.025  466.495  182.352  602.718  194.487  454.432  104.946  521.746   99.146 -67.31409 144.3731 
1 1 1    4   15   10 o  470.724   60.551  486.957  101.905  513.339  126.185  437.486  172.793  501.104   64.528  440.344  102.478 60.76013 121.1014 
1 1 1    4   15   11 o  553.846   67.478  685.794  133.095  722.161  165.242  618.620  224.575  590.680   71.686  517.011  114.343 73.66827 134.9563 
1 1 1    4   15   12 o  178.201   42.507   48.934   39.492  -3.8883   54.980  105.241   56.764  132.837   57.534  223.564   62.586 -90.72704 85.01316 
1 1 1    4   15   13 o  577.388   70.328  766.236  145.109  843.558  183.367  636.677  237.357  636.099   73.869  518.678  119.698 117.4203 140.6565 
1 1 1    4   15   14 o  403.175   57.752  360.304   87.556  407.643  114.999  295.020  135.049  444.591   66.283  361.759   94.593 82.83182 115.5042 
1 1 1    4   15   15 o  418.148   97.777  398.012  156.699   0.0000   0.0000  398.012  156.699  ?   ?   418.148   97.777      ?      ? 
1 1 1    4   15   16 o  422.712   72.184  319.093  103.855  662.474  225.293  226.435  117.031  528.635  112.655  316.789   90.282 211.8460 144.3678 
1 1 1    4   15   17 o  354.715   92.736  290.260  129.814   0.0000   0.0000  290.260  129.814  ?   ?   354.715   92.736      ?      ? 
1 1 1    4   15   18 o  520.559  116.884  680.891  231.628   0.0000   0.0000  680.891  231.628  ?   ?   520.559  116.884      ?      ? 
1 1 1    4   15   19 o  452.463   82.513  535.098  145.857  552.500  220.960  521.659  194.174  452.975  122.189  451.950  110.921 1.024689 165.0258 
1 1 1    4   15   20 o  149.550   48.931 -26.2064   44.401   17.417  122.436 -32.8120   47.644  193.229   84.734  105.870   48.960 87.35852 97.86198 
1 1 1    4   15   21 o  189.414   54.908   44.350   60.036   98.711  110.362   21.501   71.549  220.469   86.985  158.359   67.032 62.11092 109.8167 
1 1 1    4   15   22 o  201.652   61.200   60.212   82.657 -55.5317  182.445   90.105   92.719  196.170   92.372  207.133   80.306 -10.96385 122.3994 
1 1 1    4   15   23 o  203.900   65.037   31.969   86.406  119.984  201.642   12.173   95.631  240.226  106.885  167.574   74.128 72.65202 130.0750 
1 1 1    4   15   24 o  175.844   55.248   15.959   75.978  -8.9482  103.696   44.829  111.641  163.611   74.369  188.076   81.722 -24.46501 110.4953 
1 1 1    4   15   25 o  598.692   63.288  821.414  147.862  821.414  147.862   0.0000   0.0000  598.692   63.288  ?   ?       ?      ? 
1 1 1    4   15   26 o  185.635   48.171   65.449   22.663   66.273   22.891   24.728  160.846  176.680   34.439  194.590   89.977 -17.90994 96.34272 
1 1 1    4   15   27 o  367.329  145.547  833.319  310.208   0.0000   0.0000  833.319  310.208  ?   ?   367.329  145.547      ?      ? 
1 1 1    4   15   28 o  249.044   41.114  217.368   37.571  237.446   38.854 -71.5321  147.383  339.600   29.318  158.488   76.824 181.1125 82.22784 
1 1 1    4   15   29 o  466.553   30.245  451.429   55.066  451.429   55.066   0.0000   0.0000  466.553   30.245  ?   ?       ?      ? 
1 1 1    4   15   30 o  316.579   29.599  207.630   36.567  207.630   36.567   0.0000   0.0000  316.579   29.599  ?   ?       ?      ? 
1 1 1    4   15   31 f  290.160   43.247  328.011   42.894  350.671   44.200 -38.5772  177.778  412.491   27.458  167.829   82.020 244.6617 86.49441 
1 1 1    4   16    0 o  339.245   52.067  240.566   63.819  231.617   77.887  258.848  111.327  333.044   62.216  345.445   83.506 -12.40125 104.1348 
1 1 1    4   16    1 o  445.642   69.065  438.401  116.773  406.659  161.527  473.151  169.010  427.866   98.745  463.418   96.588 -35.55222 138.1298 
1 1 1    4   16    2 o  403.358   66.272  358.275  102.291  347.956  142.178  369.348  147.280  397.418   93.276  409.298   94.167 -11.87933 132.5442 
1 1 1    4   16    3 o  389.174   55.628  328.387   80.099  288.316  130.287  352.734  101.559  361.731   92.064  416.616   62.467 -54.88516 111.2562 
1 1 1    4   16    4 o  1068.54  122.802  3015.90  461.753  2569.84  755.612  3281.76  583.350  936.718  211.691  1200.35  124.534 -263.6347 245.6048 
1 1 1    4   16    5 f  588.138   75.020  716.601  172.182   0.0000   0.0000  716.601  172.182  ?   ?   588.138   75.020      ?      ? 
1 1 1    4   16    6 o  453.571   68.968  447.892  117.952  370.978  155.730  551.391  180.649  407.003   98.998  500.138   96.049 -93.13510 137.9353 
1 1 1    4   16    7 o  385.504   63.164  320.718   93.243  257.271  124.044  403.139  141.381  341.050   91.363  429.958   87.244 -88.90793 126.3281 
1 1 1    4   16    8 o  296.360   59.659  190.956   72.204  188.179   98.872  194.130  105.694  294.299   82.674  298.421   86.034 -4.121887 119.3182 
1 1 1    4   16    9 o  199.298   49.974   74.077   48.521   80.739   63.396   64.657   75.390  202.413   67.982  196.183   73.267 6.229919 99.94749 
1 1 1    4   16   10 o  701.627   96.469  1196.57  254.547  1269.52  365.203  1127.66  354.983  725.455  133.935  677.799  138.875 47.65613 192.9373 
1 1 1    4   16   11 o  602.582  121.255  856.044  275.259   0.0000   0.0000  856.044  275.259  ?   ?   602.582  121.255      ?      ? 
1 1 1    4   16   12 o  531.330   80.249  657.532  161.295  684.631  232.291  632.301  224.138  542.241  113.422  520.420  113.557 21.82080 160.4980 
1 1 1    4   16   13 o  247.166   51.418  123.543   51.950   98.067   65.570  166.501   85.144  217.564   68.890  276.767   76.350 -59.20271 102.8353 
1 1 1    4   16   14 o  617.704   73.915  902.766  163.724  1023.02  210.519  718.696  260.453  694.598   77.665  540.810  125.785 153.7886 147.8303 
1 1 1    4   16   15 o  806.537   93.742  1681.50  270.093  2055.56  360.559  1203.21  407.709  958.831   96.361  654.242  160.826 304.5897 187.4844 
1 1 1    4   16   16 o  507.261   68.154  609.728  129.023  738.886  174.618  454.426  191.477  585.906   76.371  428.616  112.905 157.2901 136.3089 
1 1 1    4   16   17 o  251.037   55.443  120.520   61.747  221.631  102.297   62.567   77.447  310.359   82.895  191.715   73.649 118.6448 110.8862 
1 1 1    4   16   18 o  209.250   57.143   73.462   60.150  108.746  116.019   60.492   70.341  233.646   90.041  184.853   70.385 48.79372 114.2868 
1 1 1    4   16   19 o  167.716   51.537   5.8282   45.336   73.297  118.811  -5.6694   49.047  213.753   88.111  121.679   53.488 92.07378 103.0749 
1 1 1    4   16   20 o  235.005   64.826  101.834   73.818  192.387  156.834   76.064   83.665  272.401  104.768  197.610   76.376 74.79181 129.6516 
1 1 1    4   16   21 o  139.985   50.660 -120.4436   47.975 -11.6668  174.291 -129.3609   49.902  202.101   93.525   77.870   38.973 124.2303 101.3202 
1 1 1    4   16   22 o  190.024   54.914  -4.2196   69.876  175.885  117.637 -102.4126   86.861  256.530   92.214  123.517   59.655 133.0131 109.8274 
1 1 1    4   16   23 o  243.381   57.643  138.228   76.839  256.293  105.891   6.9166  111.673  312.972   84.656  173.789   78.258 139.1830 115.2865 
1 1 1    4   16   24 o  613.701   52.018  821.569  124.579  821.569  124.579   0.0000   0.0000  613.701   52.018  ?   ?       ?      ? 
1 1 1    4   16   25 o  178.520   53.622   26.454   75.163  116.441   94.831 -125.6068  123.273  214.133   81.678  142.906   69.498 71.22659 107.2438 
1 1 1    4   16   26 o  388.381   70.971  523.441  111.001  545.280  126.981  452.687  228.558  469.406   69.320  307.355  123.864 162.0514 141.9424 
1 1 1    4   16   27 o  291.009   29.915  174.637   33.972  174.637   33.972   0.0000   0.0000  291.009   29.915  ?   ?       ?      ? 
1 1 1    4   16   28 o  305.826   31.896  195.191   38.066  195.191   38.066   0.0000   0.0000  305.826   31.896  ?   ?       ?      ? 
1 1 1    4   16   29 o  220.138   36.056  171.570   32.507  193.180   33.550 -159.8737  131.388  306.303   28.068  133.973   66.426 172.3291 72.11228 
1 1 1    4   16   30 o  149.117   44.077   34.076   18.570   33.704   18.775   50.828  125.990  123.844   36.422  174.390   80.278 -50.54575 88.15399 
1 1 1    4   16   31 o  159.472   46.475   41.228   19.505   40.291   19.682   92.477  145.522  134.292   36.570  184.653   85.453 -50.36111 92.94946 
1 1 1    4   17    0 o  601.349   70.325  789.758  150.355  782.964  183.709  803.545  261.673  613.029   76.792  589.669  117.836 23.35919 140.6502 
1 1 1    4   17    1 o  184.301   43.121   67.348   39.078   96.375   47.525   6.7534   68.666  214.477   56.131  154.126   65.476 60.34995 86.24256 
1 1 1    4   17    2 o  341.895   55.406  243.973   68.172  229.263   81.937  277.059  122.881  329.395   66.042  354.395   88.981 -25.00031 110.8113 
1 1 1    4   17    3 o  217.520   46.218  100.696   43.706  124.852   55.947   62.869   70.012  243.341   59.429  191.699   70.799 51.64146 92.43520 
1 1 1    4   17    4 f  1015.24   79.684  2311.83  315.689  2309.65  444.931  2314.04  447.989  1015.21  112.307  1015.27  113.071 -0.6835938E-01 159.3674 
1 1 1    4   17    5 o  478.839   48.685  469.780   90.563  443.491  121.309  502.879  136.116  464.507   66.922  493.171   70.726 -28.66458 97.36901 
1 1 1    4   17    6 o  455.058   63.943  441.785   99.696  430.731  116.614  471.806  192.179  458.194   65.218  451.922  110.007 6.272766 127.8864 
1 1 1    4   17    7 o  128.416   38.825   14.705   24.009   20.518   25.154 -44.8479   80.511  114.371   42.398  142.460   65.053 -28.08964 77.64986 
1 1 1    4   17    8 o  275.015   54.517  171.287   59.018  190.495   69.152  119.780  113.243  300.671   61.021  249.359   90.358 51.31178 109.0332 
1 1 1    4   17    9 o  499.396   77.642  575.240  147.029  549.591  202.039  604.115  214.370  487.913  108.874  510.879  110.722 -22.96622 155.2835 
1 1 1    4   17   10 o  132.743   40.466   4.5984   29.566   3.8371   32.424   8.3552   72.026  107.704   45.332  157.782   67.045 -50.07838 80.93208 
1 1 1    4   17   11 o  309.895   62.745  214.248   80.213  238.121  111.566  188.702  115.409  327.181   86.182  292.608   91.216 34.57330 125.4894 
1 1 1    4   17   12 o  269.197   51.557  165.115   57.841  207.911   73.696   96.464   93.341  312.918   62.537  225.476   81.984 87.44180 103.1132 
1 1 1    4   17   13 o  352.700   59.589  272.234   78.090  256.665   96.706  301.409  132.382  342.659   74.449  362.741   93.062 -20.08200 119.1773 
1 1 1    4   17   14 f  313.719   78.368  219.713   95.664  219.713   95.664   0.0000   0.0000  313.719   78.368  ?   ?       ?      ? 
1 1 1    4   17   15 o  324.502   61.614  244.994   79.985  266.573  109.820  220.615  116.728  341.537   83.172  307.467   90.926 34.06985 123.2281 
1 1 1    4   17   16 o  103.400   35.361 -59.4212   30.127 -26.6645   70.174 -66.8232   33.358  136.160   61.607   70.641   34.729 65.51862 70.72166 
1 1 1    4   17   17 o  393.802   62.638  364.873   98.290  517.801  145.493  236.484  133.310  480.263   77.630  307.341   98.325 172.9215 125.2767 
1 1 1    4   17   18 o  219.101   57.647   98.004   71.679   10.115  116.072  152.182   91.132  184.868   81.729  253.333   81.322 -68.46465 115.2946 
1 1 1    4   17   19 o  155.634   50.617  -8.0088   55.424 -70.8377  141.335   3.4087   60.250  173.501   81.575  137.767   59.949 35.73384 101.2338 
1 1 1    4   17   20 o  176.997   57.333   4.5800   64.871   26.210  171.037   0.9455   70.110  209.475   95.330  144.518   63.723 64.95784 114.6663 
1 1 1    4   17   21 o  140.845   49.752 -61.7928   49.767 -95.8722  178.455 -58.9188   51.823  182.594   87.491   99.096   47.394 83.49727 99.50314 
1 1 1    4   17   22 o  331.669   85.394  406.238  149.324  343.790  265.043  435.278  180.738  295.335  127.120  368.004  114.057 -72.66904 170.7874 
1 1 1    4   17   23 o  233.336   60.905  141.151   69.964  144.413   81.334  131.871  137.198  238.107   76.867  228.564   94.493 9.542786 121.8095 
1 1 1    4   17   24 o  208.813   73.517  108.654   74.400  108.654   74.400   0.0000   0.0000  208.813   73.517  ?   ?       ?      ? 
1 1 1    4   17   25 o  211.777   76.987  119.648   82.303  119.648   82.303   0.0000   0.0000  211.777   76.987  ?   ?       ?      ? 
1 1 1    4   17   26 o  185.976   71.063   87.476   71.862   87.476   71.862   0.0000   0.0000  185.976   71.063  ?   ?       ?      ? 
1 1 1    4   17   27 o  127.768   62.563 -110.8107  104.945   0.0000   0.0000 -110.8107  104.945  ?   ?   127.768   62.563      ?      ? 
1 1 1    4   17   28 o  155.090   38.049   58.980   21.945   64.593   22.253 -139.5715  132.356  172.548   34.256  137.632   67.951 34.91611 76.09789 
1 1 1    4   17   29 o  249.501   45.299  205.209   36.655  213.849   37.529   26.048  170.899  320.679   29.989  178.323   85.491 142.3564 90.59805 
1 1 1    4   17   30 o  336.016   70.084  326.824   70.271  293.014   73.248  717.576  249.015  349.791   53.661  322.240  129.491 27.55099 140.1689 
1 1 1    4   18    0 o  866.003   98.024  1834.52  299.066  1894.20  369.854  1721.78  508.310  927.080  102.231  804.927  167.284 122.1533 196.0485 
1 1 1    4   18    1 o  337.612   58.475  263.673   77.216  307.682   94.323  174.257  134.448  387.866   62.316  287.360   98.964 100.5059 116.9494 
1 1 1    4   18    2 o  462.460   65.988  490.886  108.680  530.581  132.332  408.633  190.489  507.552   66.812  417.369  113.816 90.18222 131.9765 
1 1 1    4   18    3 o  639.546   58.285  869.695  144.248  985.256  203.458  752.902  204.541  686.237   75.975  592.854   88.410 93.38342 116.5697 
1 1 1    4   18    4 o  434.446   66.097  423.865  107.072  401.647  168.738  438.841  138.536  418.698  103.790  450.194   81.871 -31.49594 132.1946 
1 1 1    4   18    5 o  676.191   59.372  970.455  156.234  948.494  212.339  996.377  230.698  669.633   81.257  682.750   86.586 -13.11694 118.7432 
1 1 1    4   18    6 o  499.947   56.037  536.036  104.958  555.317  138.746  510.242  160.481  517.950   68.644  481.943   88.594 36.00760 112.0749 
1 1 1    4   18    7 o  1026.78  112.234  2598.09  398.947  2396.95  473.472  3090.49  740.792  1016.99  119.301  1036.57  190.139 -19.58374 224.4675 
1 1 1    4   18    8 o  240.080   54.463  115.942   50.518  115.424   56.518  117.999  112.662  233.110   61.309  247.049   90.034 -13.93916 108.9262 
1 1 1    4   18    9 o  865.762  129.944  2170.01  425.246  2044.80  587.552  2307.76  616.251  836.605  184.890  894.919  182.641 -58.31329 259.8882 
1 1 1    4   18   10 o  215.782   53.405   80.299   47.197   70.033   52.939  120.074  104.202  187.268   62.107  244.296   86.897 -57.02818 106.8096 
1 1 1    4   18   11 o  730.390  157.746  1470.44  436.470   0.0000   0.0000  1470.44  436.470  ?   ?   730.390  157.746      ?      ? 
1 1 1    4   18   12 o   83.374   28.928 -78.3937   30.271 -72.7330   37.625 -88.7834   50.973   75.973   37.255   90.775   44.266 -14.80157 57.85684 
1 1 1    4   18   13 o  281.024   59.279  183.816   71.232  213.598   91.470  137.923  113.547  308.381   76.401  253.667   90.659 54.71461 118.5583 
1 1 1    4   18   14 o  211.518   55.665   86.838   61.713  101.706   80.399   65.514   96.284  219.888   76.483  203.147   80.899 16.74107 111.3300 
1 1 1    4   18   15 o  220.919   57.739  100.447   65.874   99.088   92.515  101.843   93.818  219.837   81.347  222.001   81.963 -2.163284 115.4785 
1 1 1    4   18   16 o  284.938   63.764  199.638   79.481  206.927  113.149  192.538  111.673  289.645   90.323  280.231   90.028 9.414185 127.5275 
1 1 1    4   18   17 o  583.358   93.856  844.482  213.663  844.482  213.663   0.0000   0.0000  583.358   93.856  ?   ?       ?      ? 
1 1 1    4   18   18 o  274.237   68.507  203.141   94.155  150.473  145.964  240.673  123.219  248.172   99.347  300.303   94.356 -52.13109 137.0140 
1 1 1    4   18   19 o  139.380   47.068 -38.3734   52.622 -106.3518  138.005 -26.8086   56.922  160.562   76.936  118.199   54.244 42.36362 94.13561 
1 1 1    4   18   20 o  184.861   58.885 -23.1048   65.501  166.650  163.009 -59.6433   71.530  248.919  102.961  120.804   57.174 128.1154 117.7702 
1 1 1    4   18   21 o  243.715  110.388  141.230  225.984  141.230  225.984   0.0000   0.0000  243.715  110.388  ?   ?       ?      ? 
1 1 1    4   18   22 o  198.581   95.712 -64.8177  220.894 -64.8177  220.894   0.0000   0.0000  198.581   95.712  ?   ?       ?      ? 
1 1 1    4   18   23 o  231.197   79.839  142.731   87.534  142.731   87.534   0.0000   0.0000  231.197   79.839  ?   ?       ?      ? 
1 1 1    4   18   24 o  139.589   46.189 -30.0680   59.416 -39.9959   73.564 -11.4397  100.768  125.386   58.920  153.793   71.150 -28.40685 92.37883 
1 1 1    4   18   25 o  302.617   69.306  253.027   76.226  209.266   83.583  469.299  185.813  274.853   75.575  330.380  116.196 -55.52679 138.6111 
1 1 1    4   18   26 o  164.977   52.480   37.932   59.467   33.941   66.129   54.798  135.958  148.923   63.783  181.032   83.357 -32.10861 104.9604 
1 1 1    4   18   27 o  149.942   49.076   10.527   59.546   22.124   66.146 -39.0441  136.754  142.186   62.318  157.698   75.831 -15.51268 98.15228 
1 1 1    4   18   28 o  185.369   39.111  100.107   27.016  108.189   27.323 -253.5131  180.726  227.744   30.743  142.994   71.926 84.74986 78.22118 
1 1 1    4   18   29 f   89.736   32.544   14.996   14.694   14.996   14.694   0.0000   0.0000   89.736   32.544  ?   ?       ?      ? 
1 1 1    4   19    0 o  214.488   64.049   96.381   57.709   96.381   57.709   0.0000   0.0000  214.488   64.049  ?   ?       ?      ? 
1 1 1    4   19    1 o  629.144   76.819  833.680  188.605  833.680  188.605   0.0000   0.0000  629.144   76.819  ?   ?       ?      ? 
1 1 1    4   19    2 o  992.356  113.221  2255.12  438.457  2255.12  438.457   0.0000   0.0000  992.356  113.221  ?   ?       ?      ? 
1 1 1    4   19    3 o  639.084   78.412  898.862  167.875  853.406  195.044  1028.78  329.745  634.950   78.716  643.217  135.638 -8.267273 156.8244 
1 1 1    4   19    4 o  627.652   75.847  822.685  157.842  745.023  180.733  1072.33  324.040  593.279   78.063  662.025  130.067 -68.74615 151.6947 
1 1 1    4   19    5 f  611.854   80.151  867.129  166.577  862.630  196.353  878.680  314.632  637.249   78.958  586.460  139.508 50.78894 160.3022 
1 1 1    4   19    6 o  531.849   71.346  632.643  128.672  622.041  150.679  661.197  247.277  544.925   70.857  518.772  123.857 26.15326 142.6929 
1 1 1    4   19    7 o  301.189   61.874  173.094   61.346  157.498   66.855  256.211  154.336  270.696   64.251  331.683  105.762 -60.98724 123.7483 
1 1 1    4   19    8 o  323.060   62.139  206.454   66.358  187.661   73.246  292.509  156.738  295.091   65.331  351.029  105.722 -55.93799 124.2787 
1 1 1    4   19    9 o  277.842   60.545  139.458   58.053  118.660   63.645  242.450  141.631  234.325   66.508  321.359  101.191 -87.03366 121.0907 
1 1 1    4   19   10 o  115.639   41.021 -71.6150   30.038 -74.6496   31.324 -36.9218  105.914   64.857   32.204  166.421   75.458 -101.5641 82.04264 
1 1 1    4   19   11 f  268.120   67.588  159.699   87.014  164.309  107.090  150.741  149.272  268.879   88.293  267.362  102.357 1.517670 135.1767 
1 1 1    4   19   12 o  443.710   70.770  505.570  117.569  563.476  144.038  389.981  203.505  508.540   72.581  378.880  121.513 129.6600 141.5391 
1 1 1    4   19   13 o  290.977   52.075  193.295   75.357  339.190  100.706   7.6610  113.596  396.929   65.014  185.025   81.366 211.9048 104.1500 
1 1 1    4   19   14 o  861.879  120.706  2024.08  405.983  2024.08  405.983   0.0000   0.0000  861.879  120.706  ?   ?       ?      ? 
1 1 1    4   19   15 o  274.702   64.221  167.709   82.776   87.969  105.665  294.382  133.179  213.193   84.796  336.210   96.471 -123.0178 128.4411 
1 1 1    4   19   16 o  198.317   57.286   50.095   75.193  130.485  106.940 -28.5162  105.749  234.794   87.344  161.839   74.147 72.95483 114.5724 
1 1 1    4   19   17 o  172.132   78.381 -12.2988  115.842 -12.2988  115.842   0.0000   0.0000  172.132   78.381  ?   ?       ?      ? 
1 1 1    4   19   18 o  232.221   97.345  124.820  148.538  124.820  148.538   0.0000   0.0000  232.221   97.345  ?   ?       ?      ? 
1 1 1    4   19   19 f  279.025  107.138  240.603  163.843  240.603  163.843   0.0000   0.0000  279.025  107.138  ?   ?       ?      ? 
1 1 1    4   19   20 o  204.047   65.043   57.958   92.981   9.0561  229.289   67.582  101.720  215.408  102.068  192.686   80.650 22.72205 130.0856 
1 1 1    4   19   21 o  220.594   70.829   63.806   95.588  268.086  250.078   28.854  103.443  266.576  118.790  174.611   77.176 91.96442 141.6589 
1 1 1    4   19   22 o  155.441   55.264 -94.8084   77.717 -106.1043  244.012 -93.5331   81.987  192.401   94.454  118.482   57.399 73.91898 110.5274 
1 1 1    4   19   23 o  154.730   53.945 -59.1935   80.081 -159.0049  232.432 -45.7495   85.304  177.025   87.870  132.434   62.604 44.59126 107.8904 
1 1 1    4   19   24 o  219.508   61.905  138.713   75.643  102.872   92.078  213.109  132.661  195.231   78.640  243.784   95.628 -48.55339 123.8100 
1 1 1    4   19   25 o  198.535   58.872  101.238   71.488   70.623   85.666  171.454  129.737  175.308   73.730  221.762   91.801 -46.45343 117.7436 
1 1 1    4   19   26 o  153.173   49.474   15.086   65.242   42.967   75.971 -63.2400  127.336  157.610   67.948  148.736   71.929 8.874573 98.94801 
1 1 1    4   19   27 o  159.791   53.162   15.020   74.454   27.780   82.127 -43.8581  176.411  152.127   67.911  167.455   81.810 -15.32796 106.3238 
1 1 1    4   19   28 o  140.282   49.790 -100.7217   83.744 -92.7344   90.968 -145.1068  214.441  119.643   58.514  160.920   80.576 -41.27648 99.58058 
1 1 1    4   20    0 o  503.541   86.042  628.478  167.201  651.213  238.934  606.661  234.058  513.206  121.234  493.876  122.128 19.32999 172.0836 
1 1 1    4   20    1 o  490.344  115.238  584.405  216.779  584.405  216.779   0.0000   0.0000  490.344  115.238  ?   ?       ?      ? 
1 1 1    4   20    2 o  394.271   66.927  389.049   99.381  441.112  116.897  253.320  188.745  459.968   65.125  328.574  116.943 131.3939 133.8539 
1 1 1    4   20    3 o  419.284   68.920  428.688  103.521  460.689  120.685  339.569  201.400  469.423   65.880  369.145  121.076 100.2782 137.8393 
1 1 1    4   20    4 o  411.628   71.430  373.758   98.090  359.160  109.572  432.661  220.104  413.218   67.950  410.038  125.666 3.179718 142.8602 
1 1 1    4   20    5 o  208.391   64.527   15.039   68.499   3.8000   73.262   93.147  193.135  154.965   66.767  261.816  110.440 -106.8507 129.0534 
1 1 1    4   20    6 o  504.430   81.314  612.862  132.206  603.202  147.495  652.344  298.188  531.913   71.057  476.948  146.283 54.96530 162.6281 
1 1 1    4   20    7 o  651.381   82.563  937.131  209.870  937.131  209.870   0.0000   0.0000  651.381   82.563  ?   ?       ?      ? 
1 1 1    4   20    8 f  357.973   95.159  307.152  135.219  307.152  135.219   0.0000   0.0000  357.973   95.159  ?   ?       ?      ? 
1 1 1    4   20    9 o  291.501   69.309  189.565   77.689  189.565   77.689   0.0000   0.0000  291.501   69.309  ?   ?       ?      ? 
1 1 1    4   20   10 o   84.412   40.528 -52.7230   38.724 -52.7230   38.724   0.0000   0.0000   84.412   40.528  ?   ?       ?      ? 
1 1 1    4   20   11 o  208.513   80.128   83.337   91.690   83.337   91.690   0.0000   0.0000  208.513   80.128  ?   ?       ?      ? 
1 1 1    4   20   12 o  333.673   79.676  263.924  102.316  263.924  102.316   0.0000   0.0000  333.673   79.676  ?   ?       ?      ? 
1 1 1    4   20   13 o  307.027   87.427  236.150  109.793  236.150  109.793   0.0000   0.0000  307.027   87.427  ?   ?       ?      ? 
1 1 1    4   20   14 o  149.366   48.156 -34.0986   62.969 -75.0781   86.877   11.258   91.399  132.156   62.680  166.577   73.125 -34.42136 96.31219 
1 1 1    4   20   15 o  356.986   73.375  375.696  112.903  441.984  149.236  286.976  172.650  407.894   95.448  306.078  111.469 101.8169 146.7500 
1 1 1    4   20   16 o  239.525   64.048  107.779  103.771 -132.1195  161.821  275.334  135.238  168.248   81.298  310.801   98.991 -142.5532 128.0962 
1 1 1    4   20   17 o  274.530   75.808  221.947  113.430  272.303  192.678  195.239  140.323  287.120  114.410  261.940   99.489 25.18011 151.6169 
1 1 1    4   20   18 o  308.264   73.635  299.969  138.746 -31.4018  224.321  505.283  176.572  208.013   99.240  408.516  108.811 -200.5028 147.2694 
1 1 1    4   20   19 o  239.425   66.778  148.928   93.537  222.703  139.608   88.835  125.998  270.801   99.983  208.049   88.546 62.75099 133.5556 
1 1 1    4   20   20 f  263.501   70.655  217.484  104.734  137.585  150.620  292.282  145.733  226.858   96.688  300.144  103.053 -73.28604 141.3095 
1 1 1    4   20   21 o  161.575   77.005 -51.8681  134.336 -51.8681  134.336   0.0000   0.0000  161.575   77.005  ?   ?       ?      ? 
1 1 1    4   20   22 o  175.929   57.601   16.677   85.096   95.343  155.145 -17.1727  101.770  201.035   91.220  150.823   70.361 50.21191 115.2027 
1 1 1    4   20   23 o  171.299   59.178 -31.4743   90.491  122.641  223.774 -61.6037   98.942  207.356   98.979  135.243   64.893 72.11293 118.3555 
1 1 1    4   20   24 o  184.756   60.587   62.238   99.388   72.981  178.400   57.403  119.681  191.877   90.652  177.635   80.407 14.24246 121.1736 
1 1 1    4   20   25 o  182.002   58.170   68.968   87.810   49.407  118.763   92.556  130.418  173.947   79.268  190.056   85.158 -16.10855 116.3410 
1 1 1    4   20   26 o  176.252   57.338 -17.1517   92.059 -160.3376  117.529  210.175  148.087  125.221   62.211  227.283   96.335 -102.0628 114.6761 
1 1 1    4   20   27 o  197.812   63.362   47.026   92.085 -61.1281  106.613  364.731  182.725  135.635   65.647  259.988  108.395 -124.3532 126.7239 
1 1 1    4   21    0 o  934.354  140.446  3057.58  472.247  2984.56  572.127  3213.70  836.557  1041.33  140.790  827.379  243.060 213.9507 280.8918 
1 1 1    4   21    1 o  438.194   85.393  507.832  150.335  513.852  200.584  500.118  227.083  447.991  114.348  428.397  126.855 19.59412 170.7858 
1 1 1    4   21    2 o  302.290   67.980  208.937   78.583  207.600   86.878  214.954  184.277  303.755   73.979  300.826  114.071 2.929504 135.9598 
1 1 1    4   21    3 o  229.327   59.223  107.304   60.780  114.272   67.093   75.414  143.527  228.167   69.271  230.487   96.079 -2.320526 118.4465 
1 1 1    4   21    4 o  366.799   76.697  343.242  116.855  338.127  154.908  349.996  178.004  367.402  103.580  366.196  113.140 1.206696 153.3931 
1 1 1    4   21    5 o  328.987   81.978  217.395  105.219  169.551  115.622  447.954  253.813  269.752   91.802  388.223  135.844 -118.4716 163.9552 
1 1 1    4   21    6 o  254.156   65.443  108.765   75.383   64.414   86.548  248.173  153.442  195.883   77.111  312.429  105.759 -116.5457 130.8858 
1 1 1    4   21    7 f  174.670   54.578   29.158   45.805   35.994   47.472 -63.0905  174.395  150.027   57.655  199.312   92.688 -49.28511 109.1567 
1 1 1    4   21    8 o  283.992   71.467  196.766   92.957  195.921  107.186  199.329  186.714  284.051   87.801  283.934  112.787 0.1165161 142.9331 
1 1 1    4   21    9 o  169.711   53.333   22.200   44.538   24.954   46.529  -7.9230  153.893  139.428   55.993  199.994   90.787 -60.56519 106.6655 
1 1 1    4   21   10 o  148.581   49.814 -35.7369   46.197 -40.8698   49.051   4.5605  137.438  103.564   48.488  193.599   87.032 -90.03431 99.62778 
1 1 1    4   21   11 o  259.454   71.199  169.228  101.435  169.200  127.679  169.275  167.018  258.528   95.584  260.381  105.549 -1.852661 142.3971 
1 1 1    4   21   12 o  214.926   64.708   79.192   94.817   96.030  120.823   52.199  152.982  218.050   89.247  211.801   93.722 6.249283 129.4170 
1 1 1    4   21   13 o  142.999   48.979 -131.9393   84.190 -126.9692  115.389 -137.5968  123.110  141.355   68.387  144.643   70.136 -3.288818 97.95819 
1 1 1    4   21   14 o  204.361   60.153   77.845   80.809  107.596  104.651   33.909  127.176  216.730   84.958  191.992   85.180 24.73784 120.3057 
1 1 1    4   21   15 o  160.968   52.007 -16.7672   72.931  -2.4760  104.859 -30.1583  101.503  166.721   75.384  155.215   71.667 11.50613 104.0138 
1 1 1    4   21   16 o  183.178   58.676   12.000   90.410   24.466  127.957  -0.4291  127.762  187.156   84.070  179.200   81.876 7.956268 117.3519 
1 1 1    4   21   17 o  344.985   72.167  240.876  130.698 -47.9329  160.192  815.888  226.034  180.627   85.508  509.344  116.278 -328.7170 144.3332 
1 1 1    4   21   18 o  257.422   67.319  115.428  116.375 -160.7227  160.510  421.467  168.974  157.868   77.317  356.977  110.223 -199.1093 134.6371 
1 1 1    4   21   19 o  288.223   78.440  308.173  125.260  384.429  185.361  244.083  169.932  314.938  115.377  261.509  106.300 53.42926 156.8806 
1 1 1    4   21   20 o  191.184   60.857   52.650   92.863  141.915  150.168  -2.6221  118.166  217.923   94.736  164.446   76.415 53.47726 121.7131 
1 1 1    4   21   21 o  211.181   66.010  137.646  106.287  114.464  187.209  148.672  129.114  206.197   95.938  216.164   90.693 -9.967224 132.0201 
1 1 1    4   21   22 o  200.156   65.669   50.245   95.524  321.564  213.494 -17.6665  106.812  249.665  110.585  150.648   70.857 99.01639 131.3382 
1 1 1    4   21   23 o  179.798   61.219   21.366   97.424  116.633  242.171   2.9709  106.414  203.812   98.716  155.784   72.432 48.02800 122.4390 
1 1 1    4   21   24 o  240.364  105.560  280.416  190.633  280.416  190.633   0.0000   0.0000  240.364  105.560  ?   ?       ?      ? 
1 1 1    4   21   25 o  153.393   53.677 -99.5548  111.589 -128.2209  202.577 -87.0675  133.703  161.853   80.617  144.933   70.894 16.91957 107.3549 
1 1 1    4   22    0 o  333.542  116.269  312.586  185.852   0.0000   0.0000  312.586  185.852  ?   ?   333.542  116.269      ?      ? 
1 1 1    4   22    1 o  422.934   84.234  476.018  142.714  364.741  179.368  667.996  235.597  362.145  113.852  483.722  124.175 -121.5777 168.4687 
1 1 1    4   22    2 o  333.334   81.598  303.166  125.449  273.718  156.308  356.466  210.289  319.770  106.749  346.898  123.440 -27.12823 163.1953 
1 1 1    4   22    3 o  398.539   89.296  476.307  153.580  465.714  192.600  494.803  254.504  407.568  115.703  389.511  136.044 18.05716 178.5923 
1 1 1    4   22    4 f  273.178   70.197  152.834   87.242  104.451  101.059  294.375  172.851  222.161   84.419  324.194  112.179 -102.0328 140.3943 
1 1 1    4   22    6 o  140.843   49.678 -85.8992   46.612 -92.2999   48.816 -19.7903  156.883   85.617   42.075  196.070   90.008 -110.4534 99.35625 
1 1 1    4   22    7 o  182.430   58.503   26.410   54.036   29.843   56.067 -18.4115  202.604  150.387   61.087  214.473   99.794 -64.08647 117.0059 
1 1 1    4   22    8 o  235.901   67.409  125.259   88.893  139.929   98.849   63.248  203.237  239.955   84.712  231.848  104.879 8.107697 134.8174 
1 1 1    4   22    9 o  206.237   62.574   53.609   58.417   43.893   61.481  143.868  187.385  163.118   64.744  249.356  107.099 -86.23833 125.1476 
1 1 1    4   22   10 o  394.040   90.224  494.525  156.225  356.324  195.151  741.131  260.685  328.936  118.706  459.144  135.907 -130.2081 180.4489 
1 1 1    4   22   11 f  175.440   57.396 -19.9217   85.426 -27.6589  102.363  -2.1683  155.056  157.398   72.421  193.482   89.064 -36.08424 114.7916 
1 1 1    4   22   12 o  258.691   69.733  164.185   85.550  137.430   97.175  256.367  180.373  233.434   83.822  283.947  111.467 -50.51297 139.4664 
1 1 1    4   22   13 o  190.058   59.780   28.055   78.370   6.1687   90.911   91.368  154.627  160.882   71.662  219.234   95.704 -58.35237 119.5604 
1 1 1    4   22   14 o  213.845   63.770   95.888   92.830  130.958  112.382   20.563  164.701  227.710   88.376  199.980   91.957 27.72981 127.5404 
1 1 1    4   22   15 o  320.913   79.346  311.411  143.769  630.342  217.741   64.897  191.431  425.425  123.727  216.402   99.372 209.0235 158.6921 
1 1 1    4   22   16 o  198.326   64.567   32.849  113.430   60.256  176.867   13.701  147.837  208.704   95.719  187.948   86.679 20.75597 129.1334 
1 1 1    4   22   17 o  201.031   66.976 -11.3355  129.917  190.457  213.260 -130.4200  163.826  240.128  108.137  161.934   79.052 78.19391 133.9513 
1 1 1    4   22   18 o  245.511   75.378  222.007  148.115   31.639  228.490  359.978  194.520  202.467   97.525  288.556  114.963 -86.08849 150.7569 
1 1 1    4   22   19 o  163.022   54.833 -43.5175   95.568   48.331  140.909 -121.7564  130.051  184.084   84.799  141.960   69.541 42.12401 109.6669 
1 1 1    4   22   20 o  292.098   71.877  254.003  124.081 -16.0114  158.467  681.875  199.482  171.330   82.187  412.867  117.942 -241.5373 143.7533 
1 1 1    4   22   21 o  163.534   54.876 -15.4391   89.439   60.211  148.228 -58.7503  112.157  184.391   85.650  142.678   68.625 41.71330 109.7512 
1 1 1    4   22   22 f  147.663   51.397 -103.4665   87.654   14.101  161.888 -152.2286  104.258  176.018   84.067  119.307   59.157 56.71120 102.7949 
1 1 1    4   22   23 o  246.231   71.995  267.438  124.535  117.865  184.097  393.626  169.094  198.366   93.212  294.095  109.747 -95.72929 143.9899 
1 1 1    4   22   24 o  222.084   69.407  216.754  116.256  260.076  186.821  189.376  148.515  228.023  102.063  216.145   94.088 11.87749 138.8146 
1 1 1    4   23    0 o  164.257   51.747   22.137   50.682   35.062   53.518 -90.2226  157.787  151.532   60.323  176.982   84.095 -25.45049 103.4931 
1 1 1    4   23    1 o  184.121   59.707  -4.8945   81.474 -12.8390   92.249   23.281  173.723  157.020   70.878  211.222   96.105 -54.20244 119.4149 
1 1 1    4   23    2 o  190.682   62.604 -68.5342   93.476 -133.2111  107.505  131.913  189.257  134.785   65.398  246.579  106.772 -111.7946 125.2086 
1 1 1    4   23    3 o  296.840   81.863  252.668  124.710  225.364  143.354  337.634  252.883  283.787  101.818  309.892  128.216 -26.10446 163.7264 
1 1 1    4   23    4 o  285.293   73.707  199.424  100.039  135.484  119.117  352.467  184.287  236.380   91.196  334.206  115.820 -97.82642 147.4142 
1 1 1    4   23    5 o  164.821   56.130 -100.6306   56.782 -127.7122   60.090  125.207  173.526   90.442   44.856  239.200  102.908 -148.7578 112.2593 
1 1 1    4   23    6 o  195.514   61.832  -7.1305   74.791 -47.5586   82.746  173.328  174.821  135.856   63.401  255.171  106.174 -119.3150 123.6637 
1 1 1    4   23    7 o  241.006   67.612  147.422  105.766  212.840  120.426 -73.2629  221.186  278.448   93.695  203.564   97.504 74.88399 135.2247 
1 1 1    4   23    8 o  263.486   71.421  202.439  119.607  285.376  138.803 -36.7435  235.717  313.872  100.322  213.099  101.684 100.7733 142.8423 
1 1 1    4   23    9 o  200.780   61.132   69.257   65.545   74.900   69.099   18.594  207.036  186.995   70.082  214.565  100.184 -27.56937 122.2636 
1 1 1    4   23   10 o  285.562   73.557  233.063   95.557  223.713  105.719  274.806  223.380  289.345   86.755  281.779  118.812 7.566193 147.1149 
1 1 1    4   23   11 o  317.638   75.105  200.049   94.392  105.514  104.702  610.391  218.138  213.287   84.543  421.989  124.160 -208.7027 150.2101 
1 1 1    4   23   12 o  226.359   66.782  112.208   85.006   94.004   96.018  178.200  182.816  204.212   80.956  248.507  106.233 -44.29474 133.5638 
1 1 1    4   23   13 o  177.686   58.335  -1.3684   86.818   1.9296  100.254 -11.2583  173.609  162.940   73.688  192.432   90.454 -29.49184 116.6702 
1 1 1    4   23   14 o  158.117   53.654 -66.5513   88.299 -51.9927  104.509 -102.8698  165.066  147.396   69.559  168.838   81.710 -21.44171 107.3078 
1 1 1    4   23   15 o  207.853   64.265   88.016  108.129  170.254  133.529 -68.6297  184.290  236.249   94.863  179.457   86.725 56.79169 128.5307 
1 1 1    4   23   16 o  128.010   44.971 -202.0423   88.353 -121.1561  112.368 -333.0382  142.999  133.426   65.207  122.595   61.949 10.83109 89.94289 
1 1 1    4   23   17 o  207.409   63.856  121.819   98.840  161.056  132.995   73.410  147.725  222.281   92.558  192.536   87.997 29.74489 127.7125 
1 1 1    4   23   18 f  165.494   54.816   5.9013   87.949   9.2469  114.733   1.1343  136.954  162.498   75.439  168.490   79.549 -5.991837 109.6312 
1 1 1    4   23   19 o  160.178   53.633 -16.0126   88.856 -51.9530  120.801   26.356  131.160  148.635   71.421  171.720   80.032 -23.08476 107.2665 
1 1 1    4   23   20 o  135.036   47.100 -136.6687   88.889 -107.7220  128.216 -163.4562  123.341  140.875   69.018  129.198   64.109 11.67615 94.19908 
1 1 1    4   23   21 o  173.874   56.952   33.367   95.429 -56.9706  148.685   96.647  124.443  157.715   76.613  190.033   84.288 -32.31804 113.9031 
1 1 1    4   23   22 o  165.948   55.647   4.0581   90.044   87.072  154.708 -38.4687  110.731  187.503   87.231  144.392   69.116 43.11154 111.2935 
1 1 1    4   23   23 o  163.687   55.778 -10.1916   95.425   99.912  170.004 -60.8390  115.302  187.617   88.595  139.756   67.792 47.86096 111.5557 
1 1 1    4   24    0 o  310.051   83.305  328.944  138.583  326.985  177.176  332.032  222.425  316.766  113.242  303.336  122.210 13.43005 166.6104 
1 1 1    4   24    1 o  198.629   64.965   6.5368  109.385  -8.5409  130.807   41.598  199.469  179.427   82.301  217.831  100.539 -38.40417 129.9294 
1 1 1    4   24    2 o  327.366   89.324  410.428  164.505  429.083  205.661  377.289  274.106  349.678  122.286  305.054  130.234 44.62402 178.6472 
1 1 1    4   24    3 o  193.543   65.074 -120.9961   78.089 -174.6618   83.225  273.932  225.770  104.605   52.032  282.482  119.295 -177.8762 130.1488 
1 1 1    4   24    4 o  218.057   68.787   12.992   92.180 -47.2698  101.990  281.816  215.412  150.174   70.185  285.939  118.324 -135.7647 137.5733 
1 1 1    4   24    5 o  137.017   47.079 -92.8391   58.833 -112.2552   66.301 -20.9195  127.603  100.440   49.294  173.594   80.224 -73.15391 94.15817 
1 1 1    4   24    6 o  181.432   58.447   0.6981   77.976 -23.7381   89.720   76.142  157.647  148.464   68.122  214.399   94.992 -65.93478 116.8937 
1 1 1    4   24    7 o  180.411   85.098 -46.3274  156.067   0.0000   0.0000 -46.3274  156.067  ?   ?   180.411   85.098      ?      ? 
1 1 1    4   24    8 o  138.857   49.551 -87.8816   56.608 -83.2737   59.301 -135.1806  189.994   99.914   48.500  177.799   86.423 -77.88513 99.10215 
1 1 1    4   24    9 o  323.625   87.148  357.426  141.951  259.626  169.289  589.037  260.519  280.126  108.538  367.123  136.376 -86.99741 174.2955 
1 1 1    4   24   10 o  254.814   72.488  164.930   89.520  136.785   98.016  306.479  219.813  227.889   83.837  281.739  118.277 -53.85020 144.9763 
1 1 1    4   24   11 o  158.683   53.777 -32.8976   73.578 -17.9448   79.677 -119.5128  191.764  140.465   64.357  176.900   86.175 -36.43518 107.5545 
1 1 1    4   24   12 o  201.633   64.676   41.998   85.223   4.3807   94.290  209.847  199.175  157.596   71.350  245.670  107.894 -88.07454 129.3522 
1 1 1    4   24   13 o  191.505   62.034   53.236   94.128   50.066  107.864   63.360  192.751  179.209   79.029  203.800   95.641 -24.59039 124.0676 
1 1 1    4   24   14 o  116.650   42.048 -232.8402   75.658 -219.0375   85.882 -280.6777  159.884   97.093   48.932  136.208   68.395 -39.11413 84.09651 
1 1 1    4   24   15 o  218.724   65.078  153.703   92.062  155.009  108.811  150.414  172.703  222.585   86.802  214.863   96.985 7.721146 130.1559 
1 1 1    4   24   16 o  147.381   49.589 -34.4400   76.396  -5.2421   91.783 -100.2933  137.840  146.926   67.948  147.837   72.244 -0.9118195 99.17762 
1 1 1    4   24   17 o  164.063   54.303   8.3350   85.737   2.2902  111.933   16.916  133.364  158.247   73.813  169.878   79.669 -11.63097 108.6069 
1 1 1    4   24   18 f  144.915   49.241 -54.0743   81.288 -39.0690  110.173 -72.0024  120.426  146.035   69.637  143.794   69.639 2.240616 98.48274 
1 1 1    4   24   19 o  159.083   53.366 -11.1327   88.987 -13.7699  121.828  -8.1164  130.290  156.818   74.333  161.348   76.593 -4.530167 106.7329 
1 1 1    4   24   20 o  146.230   50.183 -68.0095   88.698 -25.6130  132.032 -102.8818  119.744  156.600   75.094  135.860   66.590 20.73985 100.3661 
1 1 1    4   24   21 o  200.259   64.316  115.433  108.710  274.073  171.344   8.5525  140.641  236.046  101.902  164.472   78.498 71.57327 128.6314 
1 1 1    4   25    0 o  362.098  139.981  611.948  281.085   0.0000   0.0000  611.948  281.085  ?   ?   362.098  139.981      ?      ? 
1 1 1    4   25    1 o  410.351  158.819  955.125  362.157   0.0000   0.0000  955.125  362.157  ?   ?   410.351  158.819      ?      ? 
1 1 1    4   25    2 o  185.748   61.120 -17.5718  106.361 -69.7201  140.993   51.294  162.024  166.322   79.163  205.173   93.145 -38.85136 122.2406 
1 1 1    4   25    3 o  182.523   55.451   50.728   61.815   50.458   69.511   51.751  135.156  168.473   68.163  196.572   87.482 -28.09914 110.9021 
1 1 1    4   25    4 o  230.085   65.976  138.418   94.402  181.113  129.876   90.595  137.456  249.814   95.515  210.355   91.040 39.45851 131.9524 
1 1 1    4   25    5 o  341.571   74.834  358.052  106.063  430.306  182.335  321.100  130.393  351.588  115.198  331.554   95.551 20.03400 149.6679 
1 1 1    4   25    6 o  212.603   62.056   92.733   88.331   6.6385  122.713  185.310  127.249  175.147   80.108  250.059   94.798 -74.91225 124.1127 
1 1 1    4   25    7 o  224.712   95.332  135.528  145.233   0.0000   0.0000  135.528  145.233  ?   ?   224.712   95.332      ?      ? 
1 1 1    4   25    8 o  207.895   64.585   95.785  100.211  113.829  122.740   59.709  173.552  212.113   88.670  203.677   93.927 8.435226 129.1696 
1 1 1    4   25    9 o  168.912   58.913 -141.5235   82.721 -203.6565   90.346  180.635  205.724  103.842   52.041  233.982  105.711 -130.1391 117.8262 
1 1 1    4   25   10 o  275.738   71.654  293.270  112.594  327.406  128.720  182.056  232.336  321.981   95.545  229.495  106.811 92.48634 143.3088 
1 1 1    4   25   11 o  140.607   48.458 -62.1766   67.136 -58.9989   74.768 -75.4004  152.526  119.609   57.127  161.604   78.290 -41.99532 96.91671 
1 1 1    4   25   12 o  143.861   48.510 -32.8699   66.352 -27.0547   76.233 -51.0417  134.760  130.322   60.830  157.401   75.581 -27.07866 97.01939 
1 1 1    4   25   13 o  173.402   55.919   41.778   76.326   38.183   88.571   52.152  150.441  162.060   71.532  184.744   85.972 -22.68436 111.8388 
1 1 1    4   25   14 o  210.058   59.978  138.084   89.343  204.144  104.273 -44.3327  173.273  250.468   87.102  169.647   82.477 80.82141 119.9556 
1 1 1    4   25   15 f  172.658   57.054   10.321   77.850 -30.0950   88.586  147.415  163.152  136.381   64.263  208.935   94.291 -72.55438 114.1076 
1 1 1    4   25   16 o  139.576   47.887 -65.8659   76.865 -37.7928   90.131 -140.7357  147.191  134.872   63.932  144.279   71.313 -9.406860 95.77470 
1 1 1    4   25   17 o  146.408   49.603 -39.9824   79.546 -19.8822   98.768 -77.0901  134.198  144.459   68.005  148.357   72.231 -3.897537 99.20631 
1 1 1    4   25   18 o  139.216   47.377 -53.8184   75.738 -32.6952   98.711 -84.0527  118.096  139.942   66.501  138.490   67.499 1.452713 94.75485 
1 1 1    4   25   19 o  168.317   54.949   30.619   88.729  109.101  118.975 -67.7353  133.188  189.735   83.357  146.899   71.616 42.83664 109.8971 
1 1 1    4   26    0 o  255.395   82.456  291.098  183.012  274.824  261.833  306.643  255.905  251.612  115.790  259.178  117.424 -7.565598 164.9113 
1 1 1    4   26    1 o  165.594   57.847 -202.0298  137.098 -371.6696  195.922 -39.2623  191.913  145.655   73.470  185.534   89.371 -39.87820 115.6931 
1 1 1    4   26    2 o  178.415   58.851 -19.6566  106.528   88.408  141.710 -160.0757  161.536  202.298   89.826  154.532   76.059 47.76566 117.7015 
1 1 1    4   26    3 o  216.544   59.651  133.796   79.685  176.190   93.126   17.905  153.973  248.362   82.373  184.725   86.300 63.63670 119.3026 
1 1 1    4   26    4 o  141.162   48.088 -102.0262   74.901 -173.9031   95.901   10.392  119.935  112.505   55.944  169.820   78.231 -57.31490 96.17579 
1 1 1    4   26    5 o  188.771   58.114   73.772   80.539   52.635  122.732   89.759  106.735  183.399   82.362  194.144   82.009 -10.74504 116.2280 
1 1 1    4   26    6 o  184.637   59.146   53.754   91.651   60.923  122.359   44.591  138.335  185.062   82.733  184.212   84.548 0.8495941 118.2923 
1 1 1    4   26    7 o  216.178   95.137  146.864  155.557   0.0000   0.0000  146.864  155.557  ?   ?   216.178   95.137      ?      ? 
1 1 1    4   26    8 o  167.016   53.337   35.649   69.091   50.275   78.593 -14.1036  144.955  164.805   70.032  169.227   80.466 -4.421387 106.6736 
1 1 1    4   26    9 o  139.675   47.987 -55.7157   66.577 -55.9847   75.001 -54.7163  144.585  119.645   57.164  159.704   77.091 -40.05933 95.97305 
1 1 1    4   26   10 o  199.502   58.961  112.900   83.851  161.232  100.108  -0.7269  153.495  226.300   84.444  172.704   82.310 53.59674 117.9230 
1 1 1    4   26   11 o  204.442   81.108  123.867   96.446  123.867   96.446   0.0000   0.0000  204.442   81.108  ?   ?       ?      ? 
1 1 1    4   26   12 o  131.262   61.837 -32.3551   81.934 -32.3551   81.934   0.0000   0.0000  131.262   61.837  ?   ?       ?      ? 
1 1 1    4   26   13 o  193.744   80.382  105.645   99.788  105.645   99.788   0.0000   0.0000  193.744   80.382  ?   ?       ?      ? 
1 1 1    4   26   14 o  161.077   72.023   36.811   92.772   36.811   92.772   0.0000   0.0000  161.077   72.023  ?   ?       ?      ? 
1 1 1    4   26   15 o  129.624   61.282 -34.0905   81.775 -34.0905   81.775   0.0000   0.0000  129.624   61.282  ?   ?       ?      ? 
1 1 1    4   26   16 o  160.489   72.056   39.547   93.877   39.547   93.877   0.0000   0.0000  160.489   72.056  ?   ?       ?      ? 
1 1 1    4   26   17 o  244.066   94.617  241.112  128.702  241.112  128.702   0.0000   0.0000  244.066   94.617  ?   ?       ?      ? 
1 1 1    4   27    0 o  266.019   71.502  287.117  108.708  314.422  132.834  231.748  189.160  298.196   98.355  233.842  103.809 64.35448 143.0036 
1 1 1    4   27    1 o  172.524   57.361 -36.2954  107.375 -235.7124  160.035  126.973  144.806  139.214   69.693  205.834   91.127 -66.61938 114.7225 
1 1 1    4   27    2 o  191.166   62.394   74.446  108.470   58.849  149.206   91.928  157.968  186.173   86.287  196.158   90.148 -9.984482 124.7883 
1 1 1    4   27    3 o  196.541   61.695   84.332   81.103   53.198   92.419  188.626  169.150  169.748   74.048  223.334   98.701 -53.58568 123.3899 
1 1 1    4   27    4 o  283.107   67.172  329.446  108.976  398.088  127.229  140.376  211.155  356.962   91.046  209.253   98.788 147.7095 134.3446 
1 1 1    4   27    5 o  211.311   66.417   52.338  110.912 -117.5159  137.162  373.213  188.522  144.235   70.810  278.388  112.387 -134.1523 132.8344 
1 1 1    4   27    6 o  182.397   60.396   40.154  103.286  -3.2657  130.291  113.586  169.440  164.025   77.486  200.769   92.664 -36.74438 120.7920 
1 1 1    4   27    7 o  240.987   71.534  248.405  119.822  294.653  152.640  174.146  193.418  267.141  103.187  214.832   99.102 52.30943 143.0687 
1 1 1    4   27    8 o  176.257   56.132   59.137   75.643   70.174   85.274   18.387  163.852  174.630   73.509  177.883   84.851 -3.252396 112.2643 
1 1 1    4   27    9 o  195.602   60.711  107.622   91.818  139.401  109.823   33.830  167.352  209.737   85.379  181.467   86.337 28.26973 121.4229 
1 1 1    4   27   10 o  193.627   64.116   81.166  120.271   17.100  160.588  163.007  181.503  176.122   84.009  211.132   96.881 -35.00975 128.2322 
1 1 1    4   27   11 o  165.142   52.928   15.693   84.219  100.576   96.607 -253.0793  171.906  190.107   79.000  140.178   70.460 49.92944 105.8568 
1 1 1    4   27   12 o  184.076   61.858   52.676  122.465 -10.6937  182.367  104.724  165.275  174.014   84.604  194.138   90.266 -20.12431 123.7161 
1 1 1    4   27   13 o  147.695   51.725 -127.4337  110.498 -145.7484  171.141 -114.3406  144.702  150.434   74.794  144.957   71.470 5.477081 103.4506 
1 1 1    4   27   14 o  254.962   79.201  277.018  153.061  805.259  262.878   6.0845  188.265  335.713  133.679  174.211   84.979 161.5017 158.4028 
1 1 1    4   28    0 o  301.750   91.929  633.777  194.649  871.831  303.302  467.070  253.814  336.516  139.921  266.984  119.271 69.53156 183.8574 
1 1 1    4   28    1 o  164.643   56.432 -42.6989  112.501 -36.3343  158.273 -49.1983  159.941  165.521   80.082  163.764   79.530 1.756897 112.8634 
1 1 1    4   28    2 o  275.101   81.959  418.197  160.831  596.455  227.665  240.611  227.234  325.553  125.944  224.649  104.914 100.9040 163.9173 
1 1 1    4   28    3 o  200.982   65.674  120.645  119.844  125.074  151.083  113.129  196.815  201.599   90.881  200.366   94.831 1.232864 131.3479 
1 1 1    4   28    4 f  157.214   54.807 -89.7369  108.559 -103.9090  129.873 -56.8711  197.775  142.022   69.555  172.407   84.719 -30.38492 109.6141 
1 1 1    4   28    5 o  219.273   72.516  158.015  135.219   54.322  158.563  434.464  258.902  183.247   86.234  255.298  116.610 -72.05080 145.0316 
1 1 1    4   28    6 o  208.618  100.011  165.507  233.831   0.0000   0.0000  165.507  233.831  ?   ?   208.618  100.011      ?      ? 
1 1 1    4   28    7 o  149.948   53.136 -187.5365  113.532 -285.2391  140.484  -3.5979  192.758  122.298   61.752  177.597   86.489 -55.29845 106.2715 
1 1 1    4   28    8 o  230.270   74.656  265.257  147.148  197.935  185.598  379.192  241.448  215.783   98.627  244.758  112.101 -28.97600 149.3115 
1 1 1    4   28    9 o  193.916   60.119  109.741  100.622  179.607  113.023 -157.2530  220.944  224.726   88.230  163.106   81.688 61.61992 120.2389 
1 1 1    4   28   10 o  173.031   58.337   31.656  108.074   72.016  122.246 -112.7634  231.245  177.747   80.776  168.315   84.189 9.432297 116.6730 
1 1 1    4   28   11 o  226.337   69.408  253.657  129.439  320.167  153.046   86.554  242.588  263.309  102.872  189.365   93.204 73.94385 138.8152 
1 1 1    4   29    0 o  210.102   66.184  175.401  114.842  207.352  135.228   92.745  217.502  228.014   93.997  192.190   93.199 35.82362 132.3685 
1 1 1    4   29    1 o  178.854   60.462   43.505  101.699   22.766  114.840  118.881  218.937  161.545   75.155  196.164   94.733 -34.61905 120.9239 
1 1 1    4   29    2 o  205.188   66.047  157.908  113.445  160.545  130.215  149.602  231.098  209.698   89.650  200.679   97.013 9.019043 132.0933 
1 1 1    4   29    4 o  275.367   85.982  636.056  215.954  887.038  278.335  256.455  342.303  343.210  137.260  207.524  103.593 135.6853 171.9643 
1 1 1    5    0    0 o  1111.49   27.202  2429.98  166.408  2429.98  166.408  2429.98  166.408  1111.49   38.469  1111.49   38.469 0.000000 0.000000 
1 1 1    5    0    1 o  135.317   17.577   39.196   11.819   39.196   11.819   39.196   11.819  135.317   24.858  135.317   24.858 0.000000 0.000000 
1 1 1    5    0    2 o  1317.27   30.885  3416.76  223.970  3416.76  223.970  3416.76  223.970  1317.27   43.678  1317.27   43.678 0.000000 0.000000 
1 1 1    5    0    3 o  419.784   24.577  352.136   56.039  352.136   56.039  352.136   56.039  419.784   34.757  419.784   34.757 0.000000 0.000000 
1 1 1    5    0    4 o  390.004   21.221  302.883   45.053  302.883   45.053  302.883   45.053  390.004   30.011  390.004   30.011 0.000000 0.000000 
1 1 1    5    0    6 o  388.681   77.970  367.684  144.881  367.684  144.881  367.684  144.881  388.681  110.267  388.681  110.267 0.000000 0.000000 
1 1 1    5    0    7 o  459.746   25.173  421.881   62.989  421.881   62.989  421.881   62.989  459.746   35.600  459.746   35.600 0.000000 0.000000 
1 1 1    5    0    8 f  305.622   23.719  189.647   38.779  189.647   38.779  189.647   38.779  305.622   33.544  305.622   33.544 0.000000 0.000000 
1 1 1    5    0    9 o  528.113   18.492  550.189   53.594  550.189   53.594  550.189   53.594  528.113   26.151  528.113   26.151 0.000000 0.000000 
1 1 1    5    0   10 o  683.946   20.468  922.651   76.943  922.651   76.943  922.651   76.943  683.946   28.946  683.946   28.946 -0.000000 0.000000 
1 1 1    5    0   12 o  103.478   22.188   26.058   11.058   26.058   11.058   26.058   11.058  103.478   31.378  103.478   31.378 0.000000 0.000000 
1 1 1    5    0   13 o  345.909   16.798  237.901   31.721  237.901   31.721  237.901   31.721  345.909   23.756  345.909   23.756 0.000000 0.000000 
1 1 1    5    0   14 o  261.220   16.697  136.926   23.619  136.926   23.619  136.926   23.619  261.220   23.613  261.220   23.613 0.000000 0.000000 
1 1 1    5    0   15 o  1090.78   27.019  2352.18  162.197  2352.18  162.197  2352.18  162.197  1090.78   38.211  1090.78   38.211 -0.000000 0.000000 
1 1 1    5    0   16 o  478.095   26.215  457.460   68.212  457.460   68.212  457.460   68.212  478.095   37.073  478.095   37.073 -0.000000 0.000000 
1 1 1    5    0   17 o  439.846   17.840  382.459   42.980  382.459   42.980  382.459   42.980  439.846   25.230  439.846   25.230 -0.000000 0.000000 
1 1 1    5    0   18 o  1336.22   31.491  3530.03  231.641  3530.03  231.641  3530.03  231.641  1336.22   44.535  1336.22   44.535 -0.000000 0.000000 
1 1 1    5    0   19 o  771.680   21.924  1173.11   93.025  1173.11   93.025  1173.11   93.025  771.680   31.005  771.680   31.005 -0.000000 0.000000 
1 1 1    5    0   20 o  437.334   18.227  378.352   43.643  378.352   43.643  378.352   43.643  437.334   25.777  437.334   25.777 -0.000000 0.000000 
1 1 1    5    0   21 o  1181.33   40.988  2794.00  265.755  2794.00  265.755  2794.00  265.755  1181.33   57.965  1181.33   57.965 0.000000 0.000000 
1 1 1    5    0   22 o  410.042   18.029  333.121   40.436  333.121   40.436  333.121   40.436  410.042   25.496  410.042   25.496 0.000000 0.000000 
1 1 1    5    0   23 o  596.986   19.992  703.564   65.532  703.564   65.532  703.564   65.532  596.986   28.274  596.986   28.274 -0.000000 0.000000 
1 1 1    5    0   24 o  586.142   20.117  678.794   64.724  678.794   64.724  678.794   64.724  586.142   28.449  586.142   28.449 -0.000000 0.000000 
1 1 1    5    0   25 o  557.205   20.001  614.287   61.144  614.287   61.144  614.287   61.144  557.205   28.286  557.205   28.286 -0.000000 0.000000 
1 1 1    5    0   26 o  417.608   19.272  347.029   43.983  347.029   43.983  347.029   43.983  417.608   27.255  417.608   27.255 0.000000 0.000000 
1 1 1    5    0   27 o  799.612   22.985  1269.53  101.049  1269.53  101.049  1269.53  101.049  799.612   32.506  799.612   32.506 0.000000 0.000000 
1 1 1    5    0   29 o  260.617   22.117  140.296   30.598  140.296   30.598  140.296   30.598  260.617   31.278  260.617   31.278 0.000000 0.000000 
1 1 1    5    0   30 o  335.608   20.681  228.360   37.635  228.360   37.635  228.360   37.635  335.608   29.247  335.608   29.247 0.000000 0.000000 
1 1 1    5    0   31 o   74.235   27.962   16.065   15.540   16.065   15.540   16.065   15.540   74.235   39.545   74.235   39.545 0.000000 0.000000 
1 1 1    5    0   32 o  494.889   21.705  494.126   58.757  494.126   58.757  494.126   58.757  494.889   30.695  494.889   30.695 0.000000 0.000000 
1 1 1    5    0   33 o  278.345   26.351  164.652   38.443  164.652   38.443  164.652   38.443  278.345   37.266  278.345   37.266 -0.000000 0.000000 
1 1 1    5    0   34 o  521.670   22.158  553.834   63.266  553.834   63.266  553.834   63.266  521.670   31.336  521.670   31.336 -0.000000 0.000000 
1 1 1    5    0   35 o  242.166   25.681  126.476   32.046  126.476   32.046  126.476   32.046  242.166   36.318  242.166   36.318 0.000000 0.000000 
1 1 1    5    0   36 o  181.700   30.478   77.620   26.531   77.620   26.531   77.620   26.531  181.700   43.102  181.700   43.102 0.000000 0.000000 
1 1 1    5    1    0 o  683.552   20.248  915.375   53.983  944.492   77.869  888.434   74.904  693.994   28.753  673.111   28.516 20.88263 40.49511 
1 1 1    5    1    1 o  214.663   19.076   91.190   14.974   87.761   25.974   92.898   18.326  211.438   31.480  217.888   21.553 -6.449982 38.15113 
1 1 1    5    1    2 o  806.742   26.126  1276.56   78.630  1266.61   97.629  1294.93  132.656  803.269   31.145  810.215   41.956 -6.946228 52.25241 
1 1 1    5    1    3 o  472.320   50.547  558.094   63.069  615.976   70.231  316.946  143.350  560.013   32.137  384.626   95.850 175.3872 101.0943 
1 1 1    5    1    4 o  819.175   41.648  1324.49  133.137   0.0000   0.0000  1324.49  133.137  ?   ?   819.175   41.648      ?      ? 
1 1 1    5    1    5 o  508.601   54.515  584.460   71.563  607.150   77.929  462.345  180.785  555.299   35.962  461.902  102.928 93.39670 109.0292 
1 1 1    5    1    7 o  631.149   62.282  911.761   99.904  945.335  108.670  728.474  253.909  691.391   40.277  570.908  117.873 120.4839 124.5639 
1 1 1    5    1    8 o  695.940   41.070  960.047  111.540   0.0000   0.0000  960.047  111.540  ?   ?   695.940   41.070      ?      ? 
1 1 1    5    1    9 o  689.416   25.158  883.911   60.969  817.369   70.901  1072.75  119.442  644.394   28.195  734.438   41.674 -90.04401 50.31606 
1 1 1    5    1   10 o  506.186   21.952  496.220   40.578  478.316   48.961  535.492   72.514  492.965   25.451  519.406   35.775 -26.44083 43.90454 
1 1 1    5    1   11 o  398.913   20.271  303.885   29.637  284.848   35.693  346.148   53.181  380.276   24.052  417.550   32.637 -37.27371 40.54250 
1 1 1    5    1   12 o  241.634   16.097  115.092   15.135  126.263   21.571  104.260   21.242  253.284   21.824  229.984   23.668 23.29930 32.19413 
1 1 1    5    1   13 o  595.132   19.257  698.252   44.661  662.963   61.243  738.333   65.269  579.154   27.098  611.110   27.369 -31.95624 38.51421 
1 1 1    5    1   14 o  372.236   16.764  271.786   24.254  307.920   35.311  239.515   33.371  395.692   22.868  348.779   24.518 46.91275 33.52712 
1 1 1    5    1   15 o  1108.01   33.839  2478.07  138.936  2428.75  235.175  2504.50  172.199  1094.30   55.071  1121.71   39.338 -27.40881 67.67786 
1 1 1    5    1   16 o  485.125   22.491  473.876   40.071  494.148   49.604  435.795   67.985  501.383   25.352  468.868   37.156 32.51501 44.98125 
1 1 1    5    1   17 o  324.212   16.893  206.391   21.362  208.237   29.808  204.443   30.629  325.738   23.450  322.686   24.323 3.052063 33.78623 
1 1 1    5    1   18 o  1250.12   29.921  3103.54  145.944  3073.75  204.150  3134.68  208.718  1244.13   42.049  1256.12   42.579 -11.99097 59.84216 
1 1 1    5    1   19 o  1202.76   29.072  2867.81  136.345  2803.71  188.345  2938.38  197.630  1188.91   40.595  1216.61   41.626 -27.70850 58.14410 
1 1 1    5    1   20 o  591.518   23.497  684.167   51.048  671.655   62.176  710.044   89.419  584.415   27.263  598.620   38.278 -14.20520 46.99395 
1 1 1    5    1   21 o  1127.65   34.178  2565.62  143.714  2481.12  239.271  2613.31  179.749  1108.50   55.313  1146.81   40.165 -38.31128 68.35689 
1 1 1    5    1   22 o  1060.56   26.716  2232.38  110.565  2260.02  157.475  2205.50  155.272  1067.02   37.819  1054.10   37.747 12.91541 53.43281 
1 1 1    5    1   23 o  787.237   22.471  1224.63   69.008  1218.03   96.194  1231.63   99.052  785.171   31.394  789.304   32.158 -4.132202 44.94137 
1 1 1    5    1   24 o  787.904   22.507  1227.05   69.138  1200.53   95.370  1256.42  100.373  779.098   31.368  796.710   32.284 -17.61230 45.01347 
1 1 1    5    1   25 o  196.736   20.916   76.729   16.025   79.998   22.290   73.233   23.054  201.188   28.390  192.285   30.724 8.903641 41.83232 
1 1 1    5    1   26 o  586.950   20.375  682.997   46.624  679.474   64.454  686.864   67.526  585.559   28.206  588.341   29.411 -2.781555 40.75046 
1 1 1    5    1   27 o  748.565   22.478  1119.90   65.640  1161.31   93.590  1079.81   92.086  762.366   31.458  734.764   32.115 27.60217 44.95575 
1 1 1    5    1   28 o  396.934   33.368  316.653   50.167  283.580   62.590  376.075   83.896  370.955   43.237  422.912   50.834 -51.95688 66.73504 
1 1 1    5    1   29 f  288.342   21.315  166.681   23.884  158.953   32.070  176.305   35.789  281.147   29.230  295.538   31.031 -14.39166 42.63017 
1 1 1    5    1   30 o  560.005   20.930  628.765   45.535  586.260   60.978  682.347   68.464  539.157   28.982  580.852   30.204 -41.69464 41.85961 
1 1 1    5    1   31 o  344.173   21.245  240.337   28.501  249.186   39.923  231.138   40.703  351.020   29.144  337.326   30.920 13.69479 42.49054 
1 1 1    5    1   32 o  305.842   30.442  190.770   36.332  190.770   36.332   0.0000   0.0000  305.842   30.442  ?   ?       ?      ? 
1 1 1    5    1   33 o  132.189   26.862   37.234   14.521   44.804   22.304   31.665   19.130  142.796   38.947  121.583   37.007 21.21271 53.72500 
1 1 1    5    1   34 o  726.979   24.381  1111.48   69.084  1188.76   99.622  1039.89   95.884  752.112   33.942  701.846   35.008 50.26624 48.76136 
1 1 1    5    1   35 o  442.665   22.369  409.167   38.625  414.536   54.087  403.579   55.176  446.144   31.066  439.185   32.194 6.959229 44.73872 
1 1 1    5    1   36 o  211.189   26.288   97.459   21.047   86.481   30.076  107.994   29.464  196.229   40.615  226.149   33.386 -29.91982 52.57533 
1 1 1    5    2    0 f  1534.18   41.236  4741.84  243.300  5078.05  325.534  4316.40  366.201  1599.67   52.148  1468.68   63.894 130.9879 82.47298 
1 1 1    5    2    1 o  488.897   23.532  469.632   44.895  471.104   63.496  468.160   63.487  489.668   33.228  488.126   33.329 1.542755 47.06336 
1 1 1    5    2    2 f  1765.18   55.592  6307.79  382.170  6507.38  561.743  6135.82  521.445  1789.55   80.438  1740.81   76.758 48.74414 111.1850 
1 1 1    5    2    3 o  757.718   61.684  1119.88  110.994  1105.27  117.068  1249.88  349.125  748.687   40.069  766.749  116.680 -18.06256 123.3679 
1 1 1    5    2    4 o  967.230   68.189  1602.72  146.914  1535.35  152.907  2412.06  529.962  881.098   44.470  1053.36  128.924 -172.2642 136.3786 
1 1 1    5    2    5 o  1179.21  147.671  3577.04  664.645  3875.48  967.761  3310.60  914.407  1239.51  200.072  1118.91  217.251 120.6012 295.3419 
1 1 1    5    2    6 o  534.684   53.957  544.616  105.401  697.631  193.791  480.336  125.604  581.493   85.400  487.876   65.973 93.61725 107.9145 
1 1 1    5    2    7 o  1034.61  125.214  2611.02  488.994  2147.57  645.359  3235.80  749.310  912.378  187.525  1156.85  165.979 -244.4709 250.4286 
1 1 1    5    2    8 o  188.166   61.672   69.461   52.257   0.0000   0.0000   69.461   52.257  ?   ?   188.166   61.672      ?      ? 
1 1 1    5    2    9 o  245.774   37.005  133.429   20.987  135.952   22.009  108.122   69.699  263.268   21.422  228.281   70.841 34.98706 74.00928 
1 1 1    5    2   10 o  761.332   64.549  1156.01   88.816  1141.97   91.444  1389.83  373.158  759.889   30.837  762.775  125.362 -2.886536 129.0986 
1 1 1    5    2   11 o  789.472   27.542  1162.71   75.306  1072.65   86.781  1437.32  151.530  735.747   30.225  843.198   46.051 -107.4512 55.08379 
1 1 1    5    2   12 o  451.420   20.958  384.971   34.372  354.897   40.958  456.588   63.204  424.104   24.748  478.736   33.831 -54.63171 41.91655 
1 1 1    5    2   13 o  450.540   17.351  394.560   30.243  475.299   45.671  331.512   40.359  491.142   23.829  409.938   25.228 81.20444 34.70279 
1 1 1    5    2   14 o  1015.82   32.161  2063.38  119.936  2107.46  209.053  2041.76  146.432  1018.83   52.580  1012.80   37.049 6.027161 64.32207 
1 1 1    5    2   15 o  728.349   21.240  1041.83   60.219  1125.00   89.047  971.751   81.745  754.950   30.225  701.749   29.850 53.20135 42.48057 
1 1 1    5    2   16 o  271.122   24.490  162.456   21.967  187.461   26.835  111.667   38.244  309.091   22.247  233.153   43.637 75.93788 48.98091 
1 1 1    5    2   17 o  895.396   23.792  1582.50   83.116  1566.91  116.094  1598.91  119.051  890.951   33.390  899.841   33.903 -8.890381 47.58487 
1 1 1    5    2   18 o  616.803   19.731  733.928   47.040  871.953   72.533  633.734   61.798  665.904   27.912  567.702   27.895 98.20197 39.46129 
1 1 1    5    2   19 f  447.349   19.064  387.617   32.519  519.529   49.100  284.548   43.402  514.455   24.457  380.243   29.249 134.2126 38.12712 
1 1 1    5    2   20 o  493.894   21.821  464.242   39.366  436.164   47.274  527.748   71.096  471.136   25.713  516.652   35.263 -45.51599 43.64159 
1 1 1    5    2   21 f  715.661   30.987  1010.36   86.539   0.0000   0.0000  1010.36   86.539  ?   ?   715.661   30.987      ?      ? 
1 1 1    5    2   22 o  415.591   18.502  341.705   29.793  384.919   41.892  297.478   42.380  442.569   24.256  388.614   27.946 53.95569 37.00435 
1 1 1    5    2   23 o  1285.14   43.921  3302.37  220.272   0.0000   0.0000  3302.37  220.272  ?   ?   1285.14   43.921      ?      ? 
1 1 1    5    2   24 o  617.107   20.690  752.581   49.777  787.398   70.197  717.369   70.595  631.668   28.477  602.547   30.023 29.12134 41.38026 
1 1 1    5    2   25 o  529.438   20.241  555.620   41.646  571.832   56.887  536.896   61.135  538.146   27.088  520.730   30.085 17.41614 40.48288 
1 1 1    5    2   26 f  619.388   21.076  763.217   50.849  800.703   71.105  723.982   72.745  635.383   28.677  603.392   30.894 31.99127 42.15210 
1 1 1    5    2   27 o  502.529   24.572  478.377   45.619  599.649   81.726  423.490   54.981  544.486   38.463  460.572   30.590 83.91425 49.14433 
1 1 1    5    2   28 o  210.195   40.793   97.225   23.494   99.066   24.465   75.398   84.220  222.646   28.158  197.744   76.573 24.90157 81.58606 
1 1 1    5    2   29 o  322.753   21.115  209.063   26.277  204.949   34.461  214.777   40.616  319.703   27.621  325.802   31.945 -6.098938 42.23100 
1 1 1    5    2   30 o  403.983   20.818  330.153   32.495  334.220   43.227  324.868   49.274  407.864   27.159  400.103   31.558 7.761139 41.63577 
1 1 1    5    2   31 o  244.087   22.439  121.618   21.313  128.588   29.702  114.222   30.599  251.785   30.229  236.388   33.170 15.39651 44.87845 
1 1 1    5    2   32 f  254.165   22.917  131.944   22.674  122.923   30.787  142.635   33.517  244.789   32.229  263.541   32.590 -18.75206 45.83457 
1 1 1    5    2   33 o   64.330   19.511   0.1317   8.8272 -22.2662   18.687   6.5649   10.015   60.224   28.707   68.436   26.432 -8.211918 39.02262 
1 1 1    5    2   34 o  480.292   22.613  478.864   42.027  567.428   61.485  401.200   57.577  523.567   30.093  437.017   33.761 86.55029 45.22610 
1 1 1    5    2   35 f  414.348   34.802  401.547   48.471  361.250   91.693  417.175   57.101  382.792   61.382  445.903   32.815 -63.11130 69.60316 
1 1 1    5    2   36 f  262.597   24.197  145.616   24.645  151.858   37.224  140.744   32.885  266.609   35.778  258.584   32.589 8.025055 48.39491 
1 1 1    5    3    0 o  1609.95   50.393  5182.57  314.406  5579.92  479.561  4883.02  416.377  1661.64   73.956  1558.26   68.472 103.3794 100.7868 
1 1 1    5    3    1 o  502.663   22.920  496.177   44.948  507.724   64.438  485.236   62.729  508.348   32.483  496.978   32.344 11.37076 45.83965 
1 1 1    5    3    2 o  1423.77  128.989  4460.78  353.270  4403.01  367.474  5165.00  1283.03  1482.28   63.528  1365.25  250.033 117.0311 257.9778 
1 1 1    5    3    3 o  459.741   67.965  452.177  118.014  418.941  164.640  487.301  169.249  441.230   98.152  478.252   94.037 -37.02237 135.9294 
1 1 1    5    3    4 o  1258.19  171.905  4424.08  813.479  4481.89  1155.85  4367.33  1145.09  1267.51  242.515  1248.88  243.706 18.63123 343.8108 
1 1 1    5    3    5 o  559.625   62.300  650.069  124.497  639.614  152.076  671.313  216.781  562.241   69.312  557.009  103.542 5.232117 124.5993 
1 1 1    5    3    6 o  587.537   48.176  682.788  107.973  920.054  165.845  508.231  142.250  675.656   62.899  499.419   72.989 176.2367 96.35170 
1 1 1    5    3    7 o  612.890   73.914  770.094  176.782  770.094  176.782   0.0000   0.0000  612.890   73.914  ?   ?       ?      ? 
1 1 1    5    3    8 o  581.799   80.487  767.442  176.186  785.198  250.546  750.072  247.805  589.131  113.091  574.467  114.557 14.66418 160.9748 
1 1 1    5    3    9 o  210.837   46.753   91.420   42.865   98.750   61.040   84.288   60.210  217.614   66.074  204.060   66.163 13.55429 93.50578 
1 1 1    5    3   10 f  348.242   33.466  283.720   37.408  530.187   54.306   61.178   51.603  518.398   26.844  178.086   61.312 340.3116 66.93114 
1 1 1    5    3   11 o  312.449   83.425  221.473  103.632   0.0000   0.0000  221.473  103.632  ?   ?   312.449   83.425      ?      ? 
1 1 1    5    3   12 o  618.720   58.307  755.892   65.021  743.528   67.060  950.006  265.712  612.916   28.037  624.524  113.194 -11.60815 116.6147 
1 1 1    5    3   13 o  688.715   67.468  979.217  106.363  955.635  112.296  1184.84  331.600  689.992   41.705  687.438  128.329 2.554077 134.9354 
1 1 1    5    3   14 o  236.220   35.341   93.432   19.193   88.915   20.015  145.002   67.629  212.604   24.125  259.836   66.437 -47.23134 70.68172 
1 1 1    5    3   15 o  749.690   30.261  1109.00   88.532  1109.00   88.532   0.0000   0.0000  749.690   30.261  ?   ?       ?      ? 
1 1 1    5    3   16 o  379.281   17.007  280.332   25.072  251.822   33.863  314.925   37.301  358.081   24.234  400.480   23.868 -42.39908 34.01357 
1 1 1    5    3   17 o  631.979   19.861  782.187   48.875  847.778   71.896  725.833   66.641  656.508   28.063  607.451   28.113 49.05743 39.72200 
1 1 1    5    3   18 o  689.083   20.727  931.302   55.642  998.636   81.453  872.389   76.189  712.359   29.301  665.806   29.323 46.55316 41.45340 
1 1 1    5    3   19 o  856.990   32.623  1448.54  109.102  1448.54  109.102   0.0000   0.0000  856.990   32.623  ?   ?       ?      ? 
1 1 1    5    3   20 o  231.259   18.835  107.068   16.683  123.323   22.819   88.403   24.453  250.665   23.328  211.852   29.578 38.81337 37.67009 
1 1 1    5    3   21 o  936.245   35.197  1734.95  128.594   0.0000   0.0000  1734.95  128.594  ?   ?   936.245   35.197      ?      ? 
1 1 1    5    3   22 o  677.748   21.073  902.132   55.516  864.417   74.678  948.724   83.003  662.201   28.898  693.294   30.679 -31.09314 42.14650 
1 1 1    5    3   23 o  1180.56   41.449  2780.09  190.955   0.0000   0.0000  2780.09  190.955  ?   ?   1180.56   41.449      ?      ? 
1 1 1    5    3   24 o  927.758   24.994  1682.46   89.353  1549.49  115.856  1877.66  140.370  884.028   33.583  971.488   37.026 -87.45953 49.98753 
1 1 1    5    3   25 o  499.499   31.793  495.085   61.973   0.0000   0.0000  495.085   61.973  ?   ?   499.499   31.793      ?      ? 
1 1 1    5    3   26 o  949.725   37.372  1810.85  138.509   0.0000   0.0000  1810.85  138.509  ?   ?   949.725   37.372      ?      ? 
1 1 1    5    3   27 o  722.223   27.612  1071.27   76.426  964.023  115.731  1154.21  101.775  686.718   43.186  757.728   34.419 -71.00940 55.22366 
1 1 1    5    3   28 o  285.454   46.753  128.853   25.902  121.749   26.566  265.782  116.634  246.866   27.576  324.043   89.348 -77.17744 93.50631 
1 1 1    5    3   29 o  394.935   20.695  310.389   31.362  295.261   40.403  333.322   49.744  383.880   26.970  405.989   31.398 -22.10968 41.39090 
1 1 1    5    3   30 o  583.742   34.038  696.127   77.539   0.0000   0.0000  696.127   77.539  ?   ?   583.742   34.038      ?      ? 
1 1 1    5    3   31 o  332.540   28.053  223.215   36.404  223.215   36.404   0.0000   0.0000  332.540   28.053  ?   ?       ?      ? 
1 1 1    5    3   32 o  334.460   22.141  230.358   28.463  237.651   37.579  220.546   43.592  342.222   28.139  326.698   34.192 15.52368 44.28222 
1 1 1    5    3   33 o  276.111   25.999  162.248   27.542  151.965   42.020  169.992   36.467  266.173   40.454  286.048   32.669 -19.87543 51.99754 
1 1 1    5    3   34 o  144.953   44.043   26.157   23.015   24.006   23.613   66.994  102.900  111.881   41.151  178.026   77.884 -66.14563 88.08685 
1 1 1    5    3   35 o  160.436   36.127   53.073   19.598   70.217   54.835   50.562   20.984  169.367   62.636  151.505   36.020 17.86166 72.25459 
1 1 1    5    3   36 o  435.674   40.321  496.470   52.343  545.545   61.112  361.327  101.413  511.108   30.640  360.241   74.594 150.8666 80.64166 
1 1 1    5    4    0 o  1187.75  103.281  3366.20  286.907  3447.10  307.962  2834.49  789.491  1312.66   60.119  1062.85  197.620 249.8076 206.5623 
1 1 1    5    4    1 o  523.172   73.142  590.193  144.028  570.631  202.282  610.309  205.120  513.703  104.463  532.640  102.402 -18.93732 146.2831 
1 1 1    5    4    2 o  821.472   97.703  1508.06  306.602  1424.83  426.368  1597.19  441.213  790.504  143.498  852.440  132.633 -61.93579 195.4053 
1 1 1    5    4    3 o  470.299   69.260  476.513  122.982  459.542  172.769  493.945  175.101  461.208   98.956  479.390   96.930 -18.18243 138.5197 
1 1 1    5    4    4 o  865.508   74.147  1455.67  229.722  1274.98  269.104  1941.04  441.063  785.019   87.843  945.997  119.476 -160.9775 148.2931 
1 1 1    5    4    5 o  147.934   52.544   38.098   38.086   38.098   38.086   0.0000   0.0000  147.934   52.544  ?   ?       ?      ? 
1 1 1    5    4    6 o  1063.32   77.846  2397.12  318.902  2991.89  489.853  1959.63  420.125  1178.76  106.490  947.886  113.577 230.8752 155.6915 
1 1 1    5    4    7 o  166.173   47.840   56.421   32.702   56.421   32.702   0.0000   0.0000  166.173   47.840  ?   ?       ?      ? 
1 1 1    5    4    8 o  421.181   67.040  394.734  107.544  409.811  153.074  380.037  151.125  429.747   93.900  412.615   95.710 17.13208 134.0810 
1 1 1    5    4    9 o  735.749  103.728  1395.71  287.348  1349.75  402.465  1443.49  410.393  721.533  147.903  749.964  145.475 -28.43134 207.4567 
1 1 1    5    4   10 o  546.082  115.711  726.689  238.920   0.0000   0.0000  726.689  238.920  ?   ?   546.082  115.711      ?      ? 
1 1 1    5    4   11 o  470.220  105.467  532.114  188.762   0.0000   0.0000  532.114  188.762  ?   ?   470.220  105.467      ?      ? 
1 1 1    5    4   12 o  309.153   44.039  190.680   38.502  185.241   41.759  221.525   99.441  304.801   35.107  313.504   80.779 -8.702820 88.07852 
1 1 1    5    4   13 o  480.267   52.602  509.807   49.255  513.009   51.327  472.546  175.108  510.137   25.783  450.397  101.996 59.73987 105.2045 
1 1 1    5    4   14 f  252.528   23.112  125.314   22.776  125.314   22.776   0.0000   0.0000  252.528   23.112  ?   ?       ?      ? 
1 1 1    5    4   15 o  340.747   23.202  227.995   30.853  227.995   30.853   0.0000   0.0000  340.747   23.202  ?   ?       ?      ? 
1 1 1    5    4   16 o  339.486   44.214  248.242   31.415  250.294   32.814  225.696  108.757  357.091   23.547  321.881   85.236 35.20984 88.42868 
1 1 1    5    4   17 o  492.089   51.506  491.998   48.260  489.992   50.043  518.644  182.413  499.456   25.675  484.721   99.761 14.73453 103.0117 
1 1 1    5    4   18 o  685.230   62.722  960.734   77.014  955.828   79.527  1034.71  308.823  696.935   29.241  673.524  121.988 23.41077 125.4433 
1 1 1    5    4   19 o  959.383   24.880  1818.71   93.144  1840.68  132.354  1797.16  131.107  965.138   35.141  953.629   35.230 11.50891 49.76000 
1 1 1    5    4   20 o  336.364   23.792  222.000   31.090  239.451   46.743  208.156   41.634  348.041   34.416  324.687   32.859 23.35385 47.58327 
1 1 1    5    4   21 o  921.220   24.631  1641.61   87.124  1480.42  111.731  1891.67  139.159  865.472   33.082  976.969   36.500 -111.4973 49.26134 
1 1 1    5    4   22 o  399.308   19.491  308.756   29.870  286.788   38.357  342.605   47.613  381.806   25.744  416.810   29.272 -35.00388 38.98204 
1 1 1    5    4   23 o  844.297   23.780  1352.53   76.045  1182.72   94.669  1661.39  127.674  773.544   31.361  915.050   35.754 -141.5067 47.55933 
1 1 1    5    4   24 o  364.478   19.806  260.559   27.940  250.059   36.907  274.655   42.762  356.141   26.556  372.814   29.392 -16.67303 39.61187 
1 1 1    5    4   25 o  751.115   23.051  1082.70   65.767  964.456   82.378  1290.54  109.213  697.466   30.266  804.763   34.776 -107.2971 46.10180 
1 1 1    5    4   26 o  520.638   32.589  541.039   66.212   0.0000   0.0000  541.039   66.212  ?   ?   520.638   32.589      ?      ? 
1 1 1    5    4   27 o  474.168   21.358  454.681   38.801  483.300   51.324  416.507   59.278  493.029   26.676  455.307   33.362 37.72192 42.71585 
1 1 1    5    4   28 o  281.260   49.131  175.509   30.366  175.066   31.337  182.320  122.978  296.009   27.128  266.511   94.444 29.49872 98.26288 
1 1 1    5    4   29 o  251.554   21.504  125.285   20.861  102.611   27.567  155.665   31.910  225.169   31.372  277.939   29.420 -52.76978 43.00886 
1 1 1    5    4   30 o  242.642   21.507  119.758   20.249  125.951   27.713  112.665   29.660  249.967   28.410  235.317   32.298 14.65051 43.01489 
1 1 1    5    4   32 o  334.514   47.956  365.409   44.788  396.966   47.907  146.456  126.187  442.265   27.758  226.762   91.807 215.5029 95.91139 
1 1 1    5    4   33 o  239.013   28.664  122.183   25.132  131.979   41.931  116.691   31.396  241.853   46.110  236.173   34.065 5.679871 57.32889 
1 1 1    5    4   34 o  229.820   39.167  157.430   32.222  174.707   34.988   60.935   82.688  289.888   30.929  169.752   71.970 120.1355 78.33398 
1 1 1    5    4   35 o  191.801   33.715   94.486   23.652   59.768   50.842  104.075   26.720  159.938   60.081  223.663   30.613 -63.72517 67.43070 
1 1 1    5    4   36 o  382.724   22.965  307.888   33.963  366.381   49.388  255.415   46.779  419.055   30.201  346.393   34.605 72.66165 45.93086 
1 1 1    5    5    0 o  191.762   43.929   71.963   37.590   66.576   52.985   77.422   53.336  186.442   62.148  197.083   62.102 -10.64091 87.85857 
1 1 1    5    5    1 o  318.131   81.566  215.324  101.740  215.324  101.740   0.0000   0.0000  318.131   81.566  ?   ?       ?      ? 
1 1 1    5    5    2 o  634.266  117.596  890.117  280.352  890.117  280.352   0.0000   0.0000  634.266  117.596  ?   ?       ?      ? 
1 1 1    5    5    3 o  390.563   89.896  328.565  134.174  328.565  134.174   0.0000   0.0000  390.563   89.896  ?   ?       ?      ? 
1 1 1    5    5    4 o  895.922   92.661  1683.35  323.966  1683.35  323.966   0.0000   0.0000  895.922   92.661  ?   ?       ?      ? 
1 1 1    5    5    5 o  689.936   75.726  1096.36  184.135  1287.67  237.205  806.281  292.092  790.783   76.866  589.089  130.496 201.6940 151.4519 
1 1 1    5    5    6 o  236.846   50.066  117.078   49.858  120.749   70.480  113.400   70.540  240.050   70.559  233.643   71.049 6.407242 100.1329 
1 1 1    5    5    7 o  229.627   50.926  109.914   44.439  109.914   44.439   0.0000   0.0000  229.627   50.926  ?   ?       ?      ? 
1 1 1    5    5    8 o  338.344   50.703  253.002   63.122  275.847   78.388  210.867  106.457  368.488   54.512  308.201   85.508 60.28778 101.4062 
1 1 1    5    5    9 o  201.409   41.427   84.378   33.361   82.565   41.143   87.859   57.005  197.790   52.449  205.029   64.139 -7.238403 82.85353 
1 1 1    5    5   10 o  469.468  105.155  528.776  187.865   0.0000   0.0000  528.776  187.865  ?   ?   469.468  105.155      ?      ? 
1 1 1    5    5   11 o  408.634   68.279  392.472  107.191  374.816  150.558  410.622  152.647  398.299   97.622  418.968   95.489 -20.66913 136.5584 
1 1 1    5    5   12 o  308.248   82.888  213.579  101.868  213.579  101.868   0.0000   0.0000  308.248   82.888  ?   ?       ?      ? 
1 1 1    5    5   13 o  332.285   23.570  217.134   30.564  217.134   30.564   0.0000   0.0000  332.285   23.570  ?   ?       ?      ? 
1 1 1    5    5   14 o  723.218   68.517  1174.12   91.340  1179.99   94.866  1099.52  338.167  772.895   31.453  673.541  133.376 99.35394 137.0343 
1 1 1    5    5   15 o  536.534   54.712  625.825   57.419  629.735   59.860  580.799  203.111  565.760   27.113  507.308  106.011 58.45190 109.4234 
1 1 1    5    5   16 o  388.341   46.984  324.527   36.920  326.836   38.512  298.306  129.773  408.029   24.186  368.652   90.803 39.37753 93.96865 
1 1 1    5    5   17 o  509.918   53.895  564.044   52.781  567.830   54.917  518.208  191.101  537.620   26.176  482.216  104.564 55.40399 107.7910 
1 1 1    5    5   18 o  1131.35  104.287  2965.92  192.398  2962.94  198.205  3014.67  800.668  1221.71   41.573  1040.99  204.389 180.7178 208.5747 
1 1 1    5    5   19 f  520.744   44.956  391.185   59.561  349.658   62.470  806.156  197.476  420.112   38.104  621.375   81.438 -201.2628 89.91190 
1 1 1    5    5   20 o  1376.59  153.573  4733.00  390.951  4614.33  406.089  6236.10  1445.30  1497.36   69.496  1255.81  299.181 241.5476 307.1463 
1 1 1    5    5   21 o  793.608   67.357  1271.19   95.746  1259.66   98.569  1463.89  402.952  798.682   31.625  788.534  130.949 10.14783 134.7134 
1 1 1    5    5   22 o  658.683   26.817  748.349   57.544  668.407   64.071  1081.86  130.867  582.366   28.193  735.001   45.626 -152.6346 53.63323 
1 1 1    5    5   23 o  581.256   28.650  675.564   55.409  677.154   63.632  670.576  112.688  586.028   27.825  576.484   50.091 9.544189 57.30026 
1 1 1    5    5   24 o  499.088   37.449  446.790   62.041  398.851   69.674  630.306  136.322  446.643   39.974  551.533   63.338 -104.8897 74.89733 
1 1 1    5    5   25 o  399.879   34.404  318.883   53.687   0.0000   0.0000  318.883   53.687  ?   ?   399.879   34.404      ?      ? 
1 1 1    5    5   26 o  682.454   22.969  897.599   59.131  810.279   73.318  1060.08  100.012  638.107   29.443  726.802   35.262 -88.69489 45.93808 
1 1 1    5    5   27 o  236.568   40.045  180.563   31.368  198.410   32.223 -142.3908  137.077  315.853   26.143  157.282   75.704 158.5709 80.09074 
1 1 1    5    5   28 o  536.655   41.839  654.595   59.272  667.527   64.342  582.095  152.345  576.929   28.578  496.381   78.647 80.54813 83.67801 
1 1 1    5    5   29 o  174.579   24.329   63.831   16.190   51.423   22.966   76.088   22.827  155.079   38.200  194.080   30.140 -39.00116 48.65840 
1 1 1    5    5   30 o  262.819   21.767  139.585   22.199  135.496   29.678  144.779   33.445  258.911   29.374  266.727   32.132 -7.815613 43.53465 
1 1 1    5    5   31 o  180.029   25.947   70.308   17.708   54.796   26.563   82.717   23.757  158.351   42.215  201.706   30.181 -43.35571 51.89477 
1 1 1    5    5   32 o  191.080   24.387   75.153   17.648   89.319   27.573   65.323   22.970  207.512   34.049  174.648   34.922 32.86414 48.77415 
1 1 1    5    5   33 o  332.309   43.137  241.128   55.940  241.128   55.940   0.0000   0.0000  332.309   43.137  ?   ?       ?      ? 
1 1 1    5    5   34 o  229.378   24.334  109.860   21.664  124.402   32.685   98.465   28.932  242.723   34.507  216.033   34.319 26.69043 48.66730 
1 1 1    5    5   35 o  176.795   28.475   70.453   18.777   68.427   30.615   71.674   23.773  172.021   45.066  181.569   34.818 -9.547638 56.94922 
1 1 1    5    5   36 o  283.231   23.608  167.959   25.911  197.512   38.968  144.538   34.691  305.781   32.657  260.681   34.102 45.09952 47.21653 
1 1 1    5    6    0 o  645.965   85.022  936.484  206.412  965.922  294.230  907.955  289.645  656.909  119.164  635.020  121.305 21.88861 170.0442 
1 1 1    5    6    1 f  234.251   49.467  113.449   48.716  107.303   68.652  119.683   69.141  228.740   70.196  239.762   69.718 -11.02185 98.93484 
1 1 1    5    6    2 o  422.868   64.578  385.596  103.605  323.563  142.358  455.453  151.069  384.508   95.343  461.229   87.125 -76.72110 129.1553 
1 1 1    5    6    3 o  257.747   43.813  129.416   41.427  108.745   50.105  174.078   73.649  228.255   56.543  287.239   66.943 -58.98427 87.62663 
1 1 1    5    6    4 f  169.523   39.401   53.885   31.040   33.486   43.505   75.036   44.300  147.890   55.573  191.156   55.869 -43.26631 78.80177 
1 1 1    5    6    5 o  673.338   72.008  994.798  172.699  998.596  212.325  987.374  296.865  692.149   78.608  654.526  120.671 37.62317 144.0166 
1 1 1    5    6    6 o  725.442   81.377  1229.40  208.681  1304.24  260.105  1094.19  349.590  783.469   85.074  667.415  138.750 116.0533 162.7547 
1 1 1    5    6    7 o  237.457   44.347  125.748   41.518  143.938   51.098   90.411   71.221  262.496   51.722  212.418   72.052 50.07800 88.69410 
1 1 1    5    6    8 o  405.263   61.111  340.017   96.647  340.017   96.647   0.0000   0.0000  405.263   61.111  ?   ?       ?      ? 
1 1 1    5    6    9 o  907.590  106.619  1935.33  377.622  1935.33  377.622   0.0000   0.0000  907.590  106.619  ?   ?       ?      ? 
1 1 1    5    6   10 o  321.415   85.849  236.758  109.717  236.758  109.717   0.0000   0.0000  321.415   85.849  ?   ?       ?      ? 
1 1 1    5    6   11 o  636.870  132.533  1042.10  318.667  1042.10  318.667   0.0000   0.0000  636.870  132.533  ?   ?       ?      ? 
1 1 1    5    6   12 o  466.122   72.387  502.589  128.070  514.619  182.089  490.813  180.162  472.184  101.814  460.061  102.924 12.12323 144.7742 
1 1 1    5    6   13 o  129.817   33.638   27.335   22.281   32.685   32.752   22.727   30.400  136.574   48.703  123.060   46.411 13.51355 67.27551 
1 1 1    5    6   14 o  387.397   49.596  328.808   49.123  334.202   52.827  294.352  133.527  411.263   32.916  363.531   93.571 47.73169 99.19163 
1 1 1    5    6   15 o  303.734   38.433  260.225   28.666  287.182   31.006  101.558   75.224  382.758   20.758  224.710   74.010 158.0475 76.86588 
1 1 1    5    6   16 o  745.414   56.877  929.133   75.290  903.768   77.106  1448.53  348.920  677.660   29.157  813.168  109.954 -135.5077 113.7547 
1 1 1    5    6   17 o  414.785   46.597  334.851   38.562  331.157   40.060  381.494  142.345  410.691   24.996  418.880   89.779 -8.189240 93.19377 
1 1 1    5    6   18 o  334.670   85.160  243.297  111.495   0.0000   0.0000  243.297  111.495  ?   ?   334.670   85.160      ?      ? 
1 1 1    5    6   19 o  652.976   64.516  924.855  104.002  929.171  111.655  896.568  285.854  683.567   41.857  622.385  122.055 61.18274 129.0327 
1 1 1    5    6   20 f  828.633   77.354  1552.20  112.578  1557.16  116.503  1482.26  437.405  887.505   33.638  769.762  151.006 117.7425 154.7072 
1 1 1    5    6   21 o  966.258   77.765  1779.51  124.574  1747.04  127.472  2469.48  587.580  939.271   34.777  993.247  151.593 -53.97607 155.5305 
1 1 1    5    6   22 o  446.549   53.583  450.311   47.111  455.471   49.103  390.559  167.091  481.022   26.158  412.075  103.924 68.94745 107.1652 
1 1 1    5    6   23 o  424.607  103.824  418.740  170.601   0.0000   0.0000  418.740  170.601  ?   ?   424.607  103.824      ?      ? 
1 1 1    5    6   24 o  587.740  129.603  876.645  289.264   0.0000   0.0000  876.645  289.264  ?   ?   587.740  129.603      ?      ? 
1 1 1    5    6   25 o  289.814   50.193  170.376   30.311  169.071   31.199  192.340  127.966  292.180   27.363  287.448   96.585 4.731476 100.3858 
1 1 1    5    6   26 o  383.093   43.180  278.423   52.314  250.492   58.455  390.798  117.249  350.526   42.734  415.661   75.045 -65.13489 86.35934 
1 1 1    5    6   27 o  290.895   54.654  176.956   31.431  175.295   32.086  216.400  156.350  296.315   27.748  285.475  105.728 10.83896 109.3084 
1 1 1    5    6   28 o  579.468   34.045  631.326   56.815  595.680   61.546  836.805  147.768  544.426   28.969  614.510   61.620 -70.08429 68.08942 
1 1 1    5    6   29 o  430.537   66.112  456.446   50.419  452.065   51.687  542.521  229.101  474.019   27.942  387.055  129.237 86.96399 132.2232 
1 1 1    5    6   30 o  261.428   39.924  119.741   26.813  109.401   28.315  209.473   83.413  232.004   31.275  290.853   73.468 -58.84911 79.84759 
1 1 1    5    6   31 o  208.288   39.549  104.645   27.595  109.196   29.736   76.415   74.064  230.602   33.044  185.973   71.865 44.62836 79.09822 
1 1 1    5    6   32 o  255.958   47.088  179.232   48.007  199.049   55.751  122.388   94.421  300.503   47.541  211.412   81.296 89.09167 94.17596 
1 1 1    5    6   33 o  213.130   36.896  147.203   34.148  172.693   36.184 -60.3567  103.254  287.826   32.214  138.434   66.390 149.3918 73.79259 
1 1 1    5    6   34 o  142.508   45.317   6.5672   25.042   0.3800   25.793  108.184  104.530   89.713   39.127  195.303   81.752 -105.5899 90.63306 
1 1 1    5    6   35 o  140.996   42.370   34.320   28.310   38.398   29.237 -26.9174  113.290  132.526   46.121  149.467   71.089 -16.94109 84.73972 
1 1 1    5    6   36 f  254.138   32.536  136.633   32.268   0.0000   0.0000  136.633   32.268  ?   ?   254.138   32.536      ?      ? 
1 1 1    5    7    0 o  766.380   96.989  1379.82  283.795  1487.57  410.469  1281.15  392.806  803.764  130.864  728.997  143.186 74.76654 193.9782 
1 1 1    5    7    1 o  345.061   60.515  259.462   81.102  263.527  114.923  255.429  114.468  347.841   85.312  342.281   85.849 5.559967 121.0296 
1 1 1    5    7    2 o  535.282   76.560  646.507  154.429  639.006  217.846  654.083  218.949  531.845  108.634  538.719  107.909 -6.873779 153.1201 
1 1 1    5    7    3 o  195.664   39.439   72.424   30.237   57.026   36.713  104.895   53.313  167.912   51.300  223.416   59.916 -55.50462 78.87762 
1 1 1    5    7    4 o  166.546   35.893   57.249   25.155   63.623   31.047   45.070   42.917  175.108   45.145  157.983   55.813 17.12506 71.78578 
1 1 1    5    7    5 o  667.592   55.053  939.945  143.205  1013.84  207.462  872.694  197.919  693.374   76.672  641.810   79.022 51.56360 110.1053 
1 1 1    5    7    6 o  243.624   35.550  122.669   33.358  166.010   48.556   83.930   45.906  287.580   43.266  199.669   56.419 87.91087 71.09917 
1 1 1    5    7    7 o  679.324   56.595  985.301  148.494  1199.35  222.717  813.992  199.244  747.946   76.305  610.702   83.603 137.2442 113.1897 
1 1 1    5    7    8 o  248.622   44.572  140.834   43.244  162.933   53.713  100.121   72.907  278.558   51.302  218.686   72.902 59.87245 89.14330 
1 1 1    5    7    9 o  222.131   43.369  108.695   38.338  118.994   47.403   89.219   65.185  236.785   52.662  207.476   68.922 29.30925 86.73812 
1 1 1    5    7   10 o  708.274  104.500  1353.65  279.435  1250.33  386.676  1466.59  404.274  674.997  150.619  741.551  144.898 -66.55383 209.0006 
1 1 1    5    7   11 o  355.178   62.237  284.024   85.887  301.164  122.516  267.461  120.436  366.293   87.002  344.063   89.020 22.22906 124.4748 
1 1 1    5    7   12 o  291.775   55.836  185.762   65.253  203.283   93.290  168.980   91.305  304.996   78.055  278.554   79.864 26.44269 111.6725 
1 1 1    5    7   13 o  179.943   41.496   63.048   33.820   78.446   48.820   48.841   46.895  195.294   59.045  164.593   58.321 30.70103 82.99219 
1 1 1    5    7   14 o  487.865   72.524  532.245  133.702  508.397  187.755  556.779  190.439  475.633  104.049  500.097  101.059 -24.46432 145.0489 
1 1 1    5    7   15 o  416.655   49.331  343.946   52.358  337.875   56.024  385.839  147.165  413.574   34.713  419.735   92.353 -6.160553 98.66109 
1 1 1    5    7   16 o  480.979   50.251  460.560   47.473  457.087   49.315  504.477  175.361  482.353   26.199  479.605   97.027 2.747925 100.5022 
1 1 1    5    7   17 o  376.558   89.684  309.666  129.903   0.0000   0.0000  309.666  129.903  ?   ?   376.558   89.684      ?      ? 
1 1 1    5    7   18 o  985.677   81.104  2009.80  139.034  1992.50  142.965  2311.34  596.951  1003.47   36.508  967.882  158.046 35.58893 162.2083 
1 1 1    5    7   19 o  313.826   43.736  218.200   31.081  221.788   32.682  184.259  100.517  335.966   24.928  291.686   83.844 44.28052 87.47158 
1 1 1    5    7   20 o  853.793   76.692  1536.49  111.516  1525.49  114.844  1718.13  466.565  878.308   33.507  829.278  149.679 49.03064 153.3839 
1 1 1    5    7   21 o  222.363   46.338   98.830   38.890   94.630   44.861  111.531   78.014  212.349   54.010  232.377   75.310 -20.02802 92.67504 
1 1 1    5    7   22 o  661.319   59.923  832.174   95.061  805.181  100.131  1078.68  302.588  635.476   40.377  687.162  112.839 -51.68695 119.8460 
1 1 1    5    7   23 o  285.199   88.725  180.313  109.255   0.0000   0.0000  180.313  109.255  ?   ?   285.199   88.725      ?      ? 
1 1 1    5    7   24 o  429.208   52.722  366.285   43.319  360.922   44.820  442.387  168.833  427.343   26.876  431.074  101.961 -3.731171 105.4432 
1 1 1    5    7   25 o  281.228   49.049  159.763   29.236  158.310   30.117  183.525  121.775  282.558   27.313  279.897   94.218 2.661469 98.09733 
1 1 1    5    7   26 o  382.417   26.370  290.635   39.354  290.635   39.354   0.0000   0.0000  382.417   26.370  ?   ?       ?      ? 
1 1 1    5    7   27 o  383.724   58.299  308.243   40.441  302.513   41.495  416.697  180.528  389.082   27.329  378.365  113.351 10.71741 116.5989 
1 1 1    5    7   28 o  257.018   49.254  177.111   32.595  182.504   33.332   59.150  155.898  301.328   28.346  212.707   94.343 88.62134 98.50896 
1 1 1    5    7   29 o  286.636   54.140  211.578   35.451  213.654   36.222  164.394  172.699  325.557   28.511  247.715  104.460 77.84279 108.2805 
1 1 1    5    7   30 o  431.932   70.461  502.071   81.326  490.669   86.275  592.989  243.620  479.513   46.106  384.351  133.167 95.16260 140.9229 
1 1 1    5    7   31 o  258.288   53.681  159.805   34.474  159.176   35.195  174.679  171.226  278.323   32.404  238.253  102.355 40.07031 107.3617 
1 1 1    5    7   32 o  242.177   53.598  174.012   54.801  184.452   59.070  109.517  146.821  279.027   56.192  205.326   91.289 73.70123 107.1966 
1 1 1    5    7   33 o  247.309   43.220  167.490   34.826  174.941   37.679  123.793   91.243  288.721   33.442  205.898   79.710 82.82268 86.44061 
1 1 1    5    7   34 o  224.156   40.632  148.901   34.106  163.645   36.733   56.735   91.840  278.681   33.777  169.631   73.912 109.0503 81.26385 
1 1 1    5    7   35 o  191.493   41.761  103.048   32.900  112.200   34.923   30.855   98.089  223.475   41.576  159.512   72.438 63.96246 83.52113 
1 1 1    5    8    0 o  802.803  160.012  1706.89  483.700   0.0000   0.0000  1706.89  483.700  ?   ?   802.803  160.012      ?      ? 
1 1 1    5    8    1 f  831.850  168.712  1890.09  528.942   0.0000   0.0000  1890.09  528.942  ?   ?   831.850  168.712      ?      ? 
1 1 1    5    8    2 o  779.416  110.556  1608.38  324.499  1529.07  452.197  1692.57  465.935  756.393  158.279  802.438  154.398 -46.04565 221.1127 
1 1 1    5    8    3 o  616.781   80.444  872.142  187.279  669.498  247.143  1145.44  287.013  521.883  123.309  711.680  103.344 -189.7963 160.8880 
1 1 1    5    8    4 o  451.911   65.442  452.948  113.495  345.389  152.526  586.384  169.885  383.842  100.604  519.979   83.722 -136.1365 130.8840 
1 1 1    5    8    5 o  213.497   43.299   96.978   36.871   93.680   63.012   98.695   45.468  211.451   67.594  215.542   54.130 -4.090668 86.59740 
1 1 1    5    8    6 o  313.613   50.625  211.771   57.921  230.711  100.677  202.401   70.814  319.868   80.668  307.358   61.191 12.51013 101.2502 
1 1 1    5    8    7 o  356.687   53.354  272.360   68.434  313.123  120.219  252.819   83.235  370.834   84.904  342.541   64.637 28.29266 106.7085 
1 1 1    5    8    8 o  371.345   64.645  319.558   93.099  335.300  132.497  304.206  130.844  381.145   90.441  361.545   92.393 19.60001 129.2905 
1 1 1    5    8    9 o  122.017   32.444   22.556   21.121   28.694   29.753   16.321   29.988  128.680   46.363  115.354   45.397 13.32636 64.88736 
1 1 1    5    8   10 o  644.818   76.357  979.888  174.217  1039.50  216.774  871.157  292.773  698.120   79.569  591.518  130.348 106.6021 152.7149 
1 1 1    5    8   11 o  226.321   44.727  107.113   39.685  105.210   48.994  110.744   67.672  223.339   56.247  229.303   69.559 -5.964447 89.45475 
1 1 1    5    8   12 o  825.253  105.538  1672.56  330.672  1988.63  495.406  1418.59  444.074  908.640  139.713  741.866  158.219 166.7744 211.0756 
1 1 1    5    8   13 o  180.707   42.846   63.128   35.610   64.792   50.821   61.522   49.912  182.519   60.867  178.895   60.319 3.623993 85.69229 
1 1 1    5    8   14 o  664.464  125.502  1020.98  313.499   0.0000   0.0000  1020.98  313.499  ?   ?   664.464  125.502      ?      ? 
1 1 1    5    8   15 o  241.365   71.806  121.723   72.633   0.0000   0.0000  121.723   72.633  ?   ?   241.365   71.806      ?      ? 
1 1 1    5    8   16 o  963.298   89.254  2030.19  181.219  2016.20  190.250  2167.14  595.264  1004.73   48.522  921.864  171.787 82.86871 178.5085 
1 1 1    5    8   17 o  286.513   41.132  192.002   40.331  221.568   47.699  117.851   75.538  334.669   36.522  238.358   73.713 96.31059 82.26466 
1 1 1    5    8   18 o  342.451   43.609  314.810   35.378  339.002   37.942  153.732   97.902  415.564   23.396  269.337   84.021 146.2271 87.21807 
1 1 1    5    8   19 o  454.870   50.077  419.094   46.149  416.404   48.085  450.494  164.292  460.027   26.785  449.712   96.505 10.31525 100.1530 
1 1 1    5    8   20 o  980.524   92.116  2079.75  192.574  2039.69  202.093  2475.28  634.953  1006.08   51.474  954.969  176.895 51.10864 184.2321 
1 1 1    5    8   21 o  417.966   52.500  436.986   58.311  469.457   63.949  276.807  142.033  486.945   33.653  348.987   99.460 137.9588 104.9995 
1 1 1    5    8   22 o  471.127   55.720  513.924   52.784  521.772   55.202  430.167  180.334  514.371   27.501  427.883  107.993 86.48804 111.4393 
1 1 1    5    8   23 o  460.252   48.073  372.120   43.925  359.394   45.448  552.598  171.153  426.595   27.300  493.910   92.189 -67.31497 96.14614 
1 1 1    5    8   24 f  444.543   54.187  409.332   46.393  405.158   48.083  465.587  176.520  452.395   27.236  436.690  104.897 15.70483 108.3749 
1 1 1    5    8   25 o  640.400   29.438  816.831   73.568  816.831   73.568   0.0000   0.0000  640.400   29.438  ?   ?       ?      ? 
1 1 1    5    8   26 o  198.541   46.881   59.195   19.824   57.292   20.153  116.088  110.195  166.235   32.229  230.848   88.048 -64.61307 93.76149 
1 1 1    5    8   27 o  313.072   56.054  233.739   37.326  233.792   38.300  232.735  166.608  341.278   28.758  284.865  108.357 56.41293 112.1084 
1 1 1    5    8   28 o  259.136   50.430  173.267   32.405  176.896   33.115   91.332  157.339  296.379   28.632  221.893   96.711 74.48558 100.8602 
1 1 1    5    8   29 o  244.577   45.197  182.615   35.239  194.868   36.058 -77.9395  166.271  310.330   29.774  178.825   85.349 131.5053 90.39330 
1 1 1    5    8   30 o  270.894   49.665  220.811   37.406  229.110   38.259   40.956  178.111  336.126   29.168  205.662   94.951 130.4644 99.33021 
1 1 1    5    8   31 o  187.908   55.892   70.715   54.104   71.797   57.429   62.172  161.341  176.375   64.280  199.441   91.452 -23.06555 111.7834 
1 1 1    5    8   32 o  298.205   52.521  264.986   42.204  268.921   43.727  211.396  161.349  360.320   31.098  236.089  100.334 124.2307 105.0425 
1 1 1    5    8   33 o  316.143   34.292  210.807   42.306  210.807   42.306   0.0000   0.0000  316.143   34.292  ?   ?       ?      ? 
1 1 1    5    8   34 o  260.862   53.526  228.932   63.143  252.366   69.691  121.517  149.206  321.736   57.623  199.988   90.220 121.7477 107.0513 
1 1 1    5    8   35 o  141.519   44.137   30.849   33.097   35.511   34.268 -33.9059  127.722  130.776   49.286  152.262   73.234 -21.48636 88.27420 
1 1 1    5    9    0 o  278.441   55.415  172.584   62.758  171.776   88.701  173.394   88.807  277.809   78.400  279.074   78.338 -1.265076 110.8302 
1 1 1    5    9    1 o  222.903   48.770  105.943   46.815   98.628   65.882  113.404   66.536  216.300   69.114  229.506   68.828 -13.20541 97.53956 
1 1 1    5    9    2 o  595.805   86.153  880.142  193.378  753.380  263.025  1029.27  285.284  542.817  126.509  648.794  116.982 -105.9773 172.3054 
1 1 1    5    9    3 o  128.086   33.677   26.210   22.608   32.215   31.874   20.130   32.071  134.519   48.038  121.653   47.212 12.86571 67.35445 
1 1 1    5    9    4 o  338.753   52.017  246.800   63.697  274.533  111.096  233.219   77.744  347.886   82.994  329.619   62.732 18.26740 104.0347 
1 1 1    5    9    5 o  438.529   55.681  398.486   87.539  498.755  157.884  353.980  105.188  467.076   89.883  409.982   65.746 57.09369 111.3616 
1 1 1    5    9    6 o  512.581   78.105  637.090  151.721  714.255  219.851  566.923  209.645  546.331  106.948  478.832  113.859 67.49857 156.2105 
1 1 1    5    9    7 o  491.917   52.075  447.283   91.712  712.219  179.046  353.043  106.785  573.731   79.969  410.103   66.724 163.6278 104.1502 
1 1 1    5    9    8 o  493.761   74.203  568.676  138.638  652.060  201.979  494.392  190.640  531.827  101.014  455.695  108.721 76.13217 148.4055 
1 1 1    5    9    9 f  244.535   72.733  128.005   74.527   0.0000   0.0000  128.005   74.527  ?   ?   244.535   72.733      ?      ? 
1 1 1    5    9   10 o  673.758   92.520  1095.73  234.397  1025.75  325.937  1170.69  337.331  648.549  133.240  698.967  128.403 -50.41772 185.0410 
1 1 1    5    9   11 o  483.529   71.599  522.870  130.730  595.216  191.144  459.287  179.194  517.365   98.268  449.694  104.158 67.67072 143.1972 
1 1 1    5    9   12 o  228.619   50.233  107.751   49.358  112.541   73.582  103.832   66.553  233.129   72.860  224.109   69.171 9.019989 100.4653 
1 1 1    5    9   13 o  393.708   64.606  339.868   97.356  348.360  138.438  331.560  136.939  398.818   90.965  388.598   91.768 10.21939 129.2127 
1 1 1    5    9   14 f  134.652   35.548   28.020   25.084   25.372   36.931   30.289   34.178  133.568   50.965  135.735   49.571 -2.167252 71.09677 
1 1 1    5    9   15 o  271.298   53.223  155.260   58.550  180.898   85.507  132.628   80.338  291.025   74.863  251.572   75.672 39.45290 106.4459 
1 1 1    5    9   16 o  174.042   40.437   52.497   32.041   86.961   51.549   30.799   40.902  205.259   60.347  142.826   53.842 62.43365 80.87450 
1 1 1    5    9   17 f  254.862   41.485  133.482   36.885  133.729   42.693  132.754   73.245  259.288   42.193  250.435   71.442 8.852890 82.97081 
1 1 1    5    9   18 o  639.999   88.723  961.139  213.532  1004.23  309.129  921.817  295.304  653.827  125.722  626.171  125.225 27.65601 177.4464 
1 1 1    5    9   19 o  525.916   54.413  536.025   69.860  520.955   74.193  653.870  207.472  512.431   37.102  539.401  102.307 -26.96960 108.8269 
1 1 1    5    9   20 o  753.230   61.536  1052.00   85.919  1030.53   88.415  1416.42  364.205  722.229   31.370  784.232  119.006 -62.00366 123.0714 
1 1 1    5    9   21 o  350.558   48.401  297.728   39.652  308.624   41.987  207.841  120.596  395.718   27.189  305.398   92.905 90.31982 96.80199 
1 1 1    5    9   22 o  710.411   31.293  999.492   86.753  999.492   86.753   0.0000   0.0000  710.411   31.293  ?   ?       ?      ? 
1 1 1    5    9   23 o  261.167   43.275  191.775   31.262  206.155   32.745   43.685  105.079  323.080   25.972  199.254   82.562 123.8260 86.55061 
1 1 1    5    9   24 o  315.508   27.518  197.459   33.881  197.459   33.881   0.0000   0.0000  315.508   27.518  ?   ?       ?      ? 
1 1 1    5    9   25 o  201.110   43.642   79.568   23.177   80.364   23.821   65.438  100.348  200.485   30.447  201.735   81.801 -1.250458 87.28360 
1 1 1    5    9   26 o  224.268   47.339  104.191   25.108  104.697   25.641   92.401  123.801  228.628   28.739  219.908   90.212 8.719925 94.67890 
1 1 1    5    9   27 o  369.937   59.587  342.820   43.540  342.877   44.795  341.842  185.243  413.314   27.773  326.560  115.893 86.75366 119.1739 
1 1 1    5    9   28 o  244.680   52.207  131.745   29.987  131.832   30.525  129.359  160.438  255.119   30.660  234.241   99.811 20.87791 104.4137 
1 1 1    5    9   29 o  379.210   63.224  399.155   48.728  400.236   49.966  378.155  220.234  444.970   28.775  313.449  123.130 131.5210 126.4479 
1 1 1    5    9   30 o  392.261   70.258  460.719   87.028  454.390   93.027  505.096  246.344  452.635   52.666  331.888  130.273 120.7466 140.5155 
1 1 1    5    9   31 o  201.843   54.537   69.763   27.395   66.902   27.745  181.186  173.146  173.502   41.530  230.185  100.857 -56.68307 109.0732 
1 1 1    5    9   32 o  178.059   40.800   86.919   29.612   96.416   30.247 -132.3227  145.329  209.837   38.351  146.282   72.026 63.55438 81.60012 
1 1 1    5    9   34 o  258.561   52.187  196.952   46.071  198.184   48.058  182.971  161.896  300.883   40.930  216.239   96.014 84.64366 104.3737 
1 1 1    5    9   35 o  296.043   47.992  323.766   49.407  341.611   51.420  109.116  178.334  401.560   32.813  190.527   90.202 211.0329 95.98475 
1 1 1    5   10    0 o  458.250   73.153  502.241  127.751  477.063  178.902  528.438  182.487  445.083  104.745  471.417  102.147 -26.33441 146.3063 
1 1 1    5   10    1 o  855.934  105.898  1978.77  318.033  1944.80  387.436  2048.94  556.856  903.888  109.838  807.981  181.090 95.90784 211.7970 
1 1 1    5   10    2 o  350.869   49.842  246.265   62.124  204.815   74.279  342.757  113.330  307.993   63.895  393.745   76.513 -85.75150 99.68345 
1 1 1    5   10    3 o  664.529   77.341  1044.07  181.970  1036.41  222.730  1059.46  315.567  687.778   82.985  641.281  130.537 46.49738 154.6819 
1 1 1    5   10    4 o  287.903   41.681  176.896   45.251  185.525   63.883  168.207   64.108  295.665   57.437  280.141   60.418 15.52441 83.36261 
1 1 1    5   10    5 f  395.860   41.301  322.865   63.753  339.707   90.884  306.549   89.454  406.416   57.304  385.303   59.493 21.11243 82.60242 
1 1 1    5   10    6 f  335.256   51.026  255.221   63.259  288.647   78.559  193.574  106.688  376.404   53.482  294.108   86.915 82.29593 102.0515 
1 1 1    5   10    7 o  275.887   39.545  158.620   41.803  187.433   59.371  130.294   58.868  304.571   49.952  247.202   61.320 57.36885 79.09095 
1 1 1    5   10    8 o  538.348   65.165  642.152  124.765  656.490  153.537  614.279  214.072  562.108   69.994  514.589  109.940 47.51892 130.3306 
1 1 1    5   10    9 o  283.356   78.399  173.947   89.621   0.0000   0.0000  173.947   89.621  ?   ?   283.356   78.399      ?      ? 
1 1 1    5   10   10 o  911.386  101.370  2034.94  325.470  2119.24  403.895  1878.82  549.644  981.205  105.482  841.567  173.140 139.6379 202.7409 
1 1 1    5   10   11 o  281.325   48.461  172.088   51.380  184.427   63.738  149.192   86.823  297.725   56.935  264.924   78.437 32.80078 96.92226 
1 1 1    5   10   12 o  927.448  100.824  2085.57  330.109  2243.08  414.764  1813.36  545.243  1016.61  104.548  838.286  172.428 178.3246 201.6478 
1 1 1    5   10   13 o  261.468   48.439  145.191   49.013  149.193   61.710  138.354   80.666  266.652   60.669  256.285   75.530 10.36694 96.87883 
1 1 1    5   10   14 o  388.234   63.285  327.547   94.072  370.244  136.223  288.621  130.067  413.591   87.150  362.877   91.785 50.71350 126.5691 
1 1 1    5   10   15 f  432.301   67.794  411.227  111.388  439.592  160.257  384.716  154.932  447.555   94.711  417.047   97.024 30.50751 135.5871 
1 1 1    5   10   16 o  931.953  127.612  2308.68  447.269  2380.71  639.564  2239.73  625.732  947.930  179.464  915.976  181.471 31.95459 255.2231 
1 1 1    5   10   17 o  596.310   82.527  814.983  184.910  914.104  271.078  728.729  252.874  633.001  113.928  559.620  119.429 73.38074 165.0544 
1 1 1    5   10   18 o  533.060   57.233  583.145   83.135  573.261   90.404  637.292  211.606  536.015   43.219  530.106  105.994 5.908569 114.4669 
1 1 1    5   10   19 o  253.920   42.311  138.941   44.586  201.543   60.848   66.362   65.518  316.584   49.252  191.256   68.811 125.3282 84.62144 
1 1 1    5   10   20 o  875.331   70.233  1428.65  108.851  1397.19  111.707  2020.24  484.405  839.723   34.089  910.940  136.266 -71.21631 140.4651 
1 1 1    5   10   21 o  344.121   48.309  273.294   39.490  279.800   41.806  219.415  120.300  376.445   28.458  311.797   92.332 64.64774 96.61816 
1 1 1    5   10   22 o  678.243   31.563  912.831   83.540  912.831   83.540   0.0000   0.0000  678.243   31.563  ?   ?       ?      ? 
1 1 1    5   10   23 o  658.007   30.743  861.230   78.943  861.230   78.943   0.0000   0.0000  658.007   30.743  ?   ?       ?      ? 
1 1 1    5   10   24 o  635.556   30.373  806.148   75.330  806.148   75.330   0.0000   0.0000  635.556   30.373  ?   ?       ?      ? 
1 1 1    5   10   25 f  171.824   40.627   60.219   20.426   62.810   20.899   4.8940   96.563  174.278   31.906  169.369   74.727 4.909195 81.25336 
1 1 1    5   10   26 o  236.106   47.124  132.128   28.812  134.916   29.592   81.286  126.366  259.079   29.269  213.134   89.588 45.94484 94.24776 
1 1 1    5   10   27 o  242.934   46.530  160.325   31.209  166.798   32.009   35.610  140.501  287.820   28.498  198.049   88.589 89.77107 93.05953 
1 1 1    5   10   28 o  135.048   41.250   25.656   15.883   27.757   15.978 -149.9264  146.066  115.241   33.517  154.854   75.386 -39.61255 82.50074 
1 1 1    5   10   29 o  340.637   60.601  385.655   84.323  426.232   91.687  163.057  214.747  439.363   53.475  241.911  108.767 197.4517 121.2015 
1 1 1    5   10   30 o  198.010   48.007   88.944   28.351   91.892   28.667 -42.5340  191.449  210.244   34.940  185.776   89.431 24.46820 96.01393 
1 1 1    5   10   31 o  173.655   49.677   56.904   26.581   57.910   26.835   4.5800  193.619  160.532   42.258  186.779   89.919 -26.24614 99.35390 
1 1 1    5   10   32 o  185.973   48.367   84.163   32.228   87.844   32.615 -68.5145  210.030  196.719   43.628  175.226   86.338 21.49220 96.73479 
1 1 1    5   10   33 o  122.976   42.900   31.905   25.304   31.905   25.304   0.0000   0.0000  122.976   42.900  ?   ?       ?      ? 
1 1 1    5   10   34 o  166.011   48.721   49.661   27.602   48.260   28.097   88.407  147.787  144.862   44.982  187.160   86.438 -42.29779 97.44175 
1 1 1    5   11    0 o  130.389   31.513   32.074   19.322   37.803   24.511   22.670   31.404  136.970   41.928  123.808   47.056 13.16161 63.02591 
1 1 1    5   11    1 o  482.513   59.211  491.720  102.221  457.907  123.643  564.744  181.701  468.002   67.700  497.024   97.163 -29.02209 118.4227 
1 1 1    5   11    2 o  361.801   52.922  276.751   68.644  259.854   83.457  312.089  120.693  349.811   63.474  373.791   84.701 -23.98004 105.8448 
1 1 1    5   11    3 o  422.138   56.019  376.327   84.931  358.971  103.182  412.791  149.559  416.732   63.448  427.543   92.340 -10.81180 112.0372 
1 1 1    5   11    4 o  430.691   44.462  382.322   74.672  400.483  105.980  364.418  105.228  441.334   61.535  420.048   64.195 21.28598 88.92447 
1 1 1    5   11    5 o  242.036   39.321  123.411   36.337  121.348   50.365  125.651   52.476  240.041   54.952  244.031   56.257 -3.989929 78.64161 
1 1 1    5   11    6 o  283.927   49.531  179.024   53.028  194.773   64.929  147.476   91.894  305.388   56.565  262.466   81.325 42.92212 99.06226 
1 1 1    5   11    7 o  566.620   50.289  664.972  111.131  695.816  158.398  635.073  155.956  580.084   69.973  553.156   72.248 26.92780 100.5778 
1 1 1    5   11    8 o  366.598   52.222  294.911   69.490  320.739   86.220  247.032  117.390  398.388   55.459  334.808   88.504 63.58029 104.4443 
1 1 1    5   11    9 o  382.438   90.686  321.993  133.288   0.0000   0.0000  321.993  133.288  ?   ?   382.438   90.686      ?      ? 
1 1 1    5   11   10 o  279.834   48.535  164.387   50.504  161.436   61.917  170.253   87.297  277.733   58.952  281.935   77.118 -4.201202 97.06932 
1 1 1    5   11   11 f  902.784   96.467  1909.72  307.819  1947.74  379.560  1836.66  526.127  949.867  102.397  855.701  163.518 94.16608 192.9336 
1 1 1    5   11   12 o  257.048   47.609  141.153   47.413  148.749   59.419  127.840   78.664  266.677   58.688  247.420   74.982 19.25691 95.21872 
1 1 1    5   11   13 o  407.373   63.744  337.030  101.335  337.030  101.335   0.0000   0.0000  407.373   63.744  ?   ?       ?      ? 
1 1 1    5   11   14 o  414.375   66.585  377.866  105.247  364.268  148.506  391.586  149.180  406.228   95.320  422.522   92.996 -16.29486 133.1695 
1 1 1    5   11   15 f  208.959   47.943   87.785   44.792   80.950   64.933   93.990   61.869  203.733   68.799  214.185   66.789 -10.45197 95.88583 
1 1 1    5   11   16 o  509.468   75.549  587.871  145.392  591.817  207.286  584.049  203.984  510.842  107.389  508.094  106.293 2.747437 151.0982 
1 1 1    5   11   17 o  567.211  116.877  747.708  250.100  747.708  250.100   0.0000   0.0000  567.211  116.877  ?   ?       ?      ? 
1 1 1    5   11   18 o  190.430   48.260   55.516   42.600  100.587   78.910   36.977   50.608  224.093   75.842  156.767   59.699 67.32558 96.51917 
1 1 1    5   11   19 o  403.433   54.130  343.753   73.072  339.758   84.776  355.298  144.123  409.751   53.018  397.114   94.389 12.63705 108.2597 
1 1 1    5   11   20 o  674.055   47.942  915.885  126.108  915.885  126.108   0.0000   0.0000  674.055   47.942  ?   ?       ?      ? 
1 1 1    5   11   21 o  688.567   32.461  941.140   87.226  941.140   87.226   0.0000   0.0000  688.567   32.461  ?   ?       ?      ? 
1 1 1    5   11   22 o  811.112   34.362  1313.36  108.765  1313.36  108.765   0.0000   0.0000  811.112   34.362  ?   ?       ?      ? 
1 1 1    5   11   23 o  616.844   30.695  758.859   73.887  758.859   73.887   0.0000   0.0000  616.844   30.695  ?   ?       ?      ? 
1 1 1    5   11   24 o  266.504   42.518  221.818   35.826  245.974   37.779   6.2111  112.868  351.312   27.557  181.696   80.446 169.6165 85.03504 
1 1 1    5   11   25 o  225.649   45.317  114.666   27.303  116.667   28.184   84.156  110.054  240.932   29.976  210.366   85.533 30.56573 90.63338 
1 1 1    5   11   26 o  188.660   38.709   95.272   26.523  105.750   27.220 -101.7688  118.034  228.799   30.486  148.520   71.162 80.27823 77.41711 
1 1 1    5   11   27 o  271.118   60.557  204.969   70.977  221.578   79.596  140.490  156.828  304.717   68.591  237.518   99.819 67.19864 121.1134 
1 1 1    5   11   28 o  224.141   62.129  121.013   69.119  123.063   75.444  110.301  172.457  222.600   74.157  225.682   99.704 -3.082596 124.2585 
1 1 1    5   11   29 f  270.382   54.327  194.309   35.565  195.945   36.127  143.015  202.306  310.075   29.856  230.688  104.471 79.38673 108.6532 
1 1 1    5   11   30 o  278.829   53.504  227.354   38.412  229.741   39.098  161.148  205.900  334.373   29.964  223.285  102.727 111.0882 107.0078 
1 1 1    5   11   31 o  268.275   52.208  222.365   45.267  227.027   46.506  138.383  197.391  326.960   36.449  209.589   97.848 117.3711 104.4163 
1 1 1    5   11   32 o  351.831   56.624  501.486   89.497  554.979   96.421  168.658  240.510  491.886   50.231  211.775  101.499 280.1111 113.2486 
1 1 1    5   11   33 o  327.359   52.565  421.988   86.796  511.392   96.919   59.839  195.064  466.192   53.274  188.527   90.633 277.6654 105.1305 
1 1 1    5   11   34 o  152.707   41.928   53.132   26.632   58.351   27.088 -97.9689  145.753  158.894   42.749  146.520   72.141 12.37329 83.85597 
1 1 1    5   12    0 o  175.851   48.455   64.107   34.317   64.107   34.317   0.0000   0.0000  175.851   48.455  ?   ?       ?      ? 
1 1 1    5   12    1 o  398.730   60.779  324.852   94.573  324.852   94.573   0.0000   0.0000  398.730   60.779  ?   ?       ?      ? 
1 1 1    5   12    2 o  303.225   59.561  193.151   67.964  193.151   67.964   0.0000   0.0000  303.225   59.561  ?   ?       ?      ? 
1 1 1    5   12    3 o  576.369   65.270  701.868  133.857  662.738  161.660  787.200  238.729  564.320   73.408  588.418  107.943 -24.09766 130.5392 
1 1 1    5   12    4 o  941.497   74.319  1959.40  273.023  1999.44  388.391  1920.29  383.874  951.536  104.595  931.459  105.607 20.07672 148.6372 
1 1 1    5   12    5 o  604.556   52.205  758.469  123.151  771.675  174.496  745.364  173.830  610.059   73.296  599.053   74.358 11.00531 104.4101 
1 1 1    5   12    6 o  624.140   72.986  899.350  160.597  1003.25  202.048  721.091  264.656  695.645   74.428  552.634  125.572 143.0114 145.9722 
1 1 1    5   12    7 o  252.413   46.706  135.208   44.628  138.308   54.109  128.614   78.923  257.330   55.513  247.497   75.128 9.832977 93.41269 
1 1 1    5   12    8 o  241.836   45.257  128.972   43.204  148.431   53.138   91.020   74.209  267.593   52.761  216.078   73.547 51.51469 90.51433 
1 1 1    5   12    9 o  356.944   88.106  277.905  121.984   0.0000   0.0000  277.905  121.984  ?   ?   356.944   88.106      ?      ? 
1 1 1    5   12   10 o  1061.50  118.782  2897.98  443.217  3193.32  561.757  2410.97  721.364  1195.59  120.402  927.400  204.793 268.1934 237.5646 
1 1 1    5   12   11 o  182.162   40.467   67.292   31.675   74.113   39.341   54.723   53.406  189.308   51.765  175.017   62.215 14.29164 80.93369 
1 1 1    5   12   12 o  661.968   73.274  963.138  172.552  978.750  212.617  933.014  295.329  686.649   79.347  637.286  123.209 49.36267 146.5485 
1 1 1    5   12   13 o  641.201   73.424  950.260  166.340  1097.77  212.655  717.737  266.992  728.961   74.755  553.441  126.396 175.5201 146.8473 
1 1 1    5   12   14 o  697.643   77.899  1121.53  193.003  1225.31  243.678  946.827  316.153  764.758   81.651  630.528  132.688 134.2291 155.7979 
1 1 1    5   12   15 o  824.150  104.850  1652.56  328.095  1958.86  491.488  1406.35  440.656  905.475  139.093  742.825  156.930 162.6501 209.6997 
1 1 1    5   12   16 o  299.115   59.084  195.033   71.515  201.774  104.584  189.113   98.011  303.579   84.940  294.652   82.152 8.927460 118.1681 
1 1 1    5   12   17 o  186.431   70.725   55.423   70.857   55.423   70.857   0.0000   0.0000  186.431   70.725  ?   ?       ?      ? 
1 1 1    5   12   18 o  396.932  102.787  362.485  160.477  362.485  160.477   0.0000   0.0000  396.932  102.787  ?   ?       ?      ? 
1 1 1    5   12   19 o  288.400   94.167  182.910  121.876  182.910  121.876   0.0000   0.0000  288.400   94.167  ?   ?       ?      ? 
1 1 1    5   12   20 o  375.009   68.493  302.366   96.541  302.366   96.541   0.0000   0.0000  375.009   68.493  ?   ?       ?      ? 
1 1 1    5   12   21 o  1160.10   63.012  2824.62  285.266  2824.62  285.266   0.0000   0.0000  1160.10   63.012  ?   ?       ?      ? 
1 1 1    5   12   22 o  211.903   57.468   82.045   68.285   41.166  104.564  112.441   90.166  194.644   81.638  229.162   80.906 -34.51855 114.9369 
1 1 1    5   12   23 o  328.090   60.797  267.074   81.079  326.265  109.648  195.662  120.437  374.933   77.501  281.247   93.696 93.68622 121.5948 
1 1 1    5   12   24 o  174.395   40.502   64.864   22.623   68.290   23.352   12.580   91.223  180.984   34.320  167.805   73.374 13.17896 81.00385 
1 1 1    5   12   25 o  166.925   39.908   61.574   21.763   66.230   22.220 -48.1446  107.867  178.094   33.193  155.756   72.587 22.33746 79.81638 
1 1 1    5   12   26 o  342.134  116.458  387.904  186.068   0.0000   0.0000  387.904  186.068  ?   ?   342.134  116.458      ?      ? 
1 1 1    5   12   27 o  376.828   60.900  454.909   95.205  553.172  111.611  192.419  182.418  498.599   57.362  255.057  107.447 243.5419 121.7996 
1 1 1    5   12   28 o  132.118   45.513   9.8110   13.737   10.025   13.793 -16.5785  153.147   81.706   31.154  182.529   85.529 -100.8229 91.02604 
1 1 1    5   12   29 o  168.658   51.477   35.406   20.243   34.443   20.387  102.966  170.675  126.610   38.128  210.707   95.634 -84.09703 102.9547 
1 1 1    5   12   30 o  239.541  107.730  257.386  210.840   0.0000   0.0000  257.386  210.840  ?   ?   239.541  107.730      ?      ? 
1 1 1    5   12   31 o  258.547   51.064  197.686   37.144  199.807   37.812  139.299  198.372  309.739   31.283  207.354   97.219 102.3857 102.1277 
1 1 1    5   12   32 o  273.542   47.262  260.778   41.469  271.441   42.426   32.387  196.353  361.583   30.067  185.501   89.615 176.0818 94.52428 
1 1 1    5   12   33 o  266.341   47.453  231.202   38.323  238.122   39.445  114.702  161.848  338.097   29.896  194.584   90.074 143.5126 94.90561 
1 1 1    5   13    0 o  300.098   49.348  184.999   54.255  169.791   66.350  215.688   94.254  283.969   61.642  316.227   77.079 -32.25839 98.69658 
1 1 1    5   13    1 f  763.572   76.044  1241.72  211.502  1166.65  254.487  1409.36  380.307  741.977   87.891  785.167  124.120 -43.18970 152.0870 
1 1 1    5   13    2 o  521.360   63.415  588.557  117.840  597.286  144.799  571.438  202.778  539.358   68.795  503.361  106.552 35.99710 126.8306 
1 1 1    5   13    3 o  650.365   70.601  904.212  163.237  869.719  197.877  977.688  288.803  646.307   78.456  654.425  117.400 -8.118042 141.2022 
1 1 1    5   13    4 o  303.316   49.974  190.951   55.132  182.122   66.818  209.780   97.582  294.987   60.085  311.644   79.871 -16.65704 99.94760 
1 1 1    5   13    5 o  128.804   33.432   22.940   19.357   17.927   22.135   39.241   39.914  107.406   39.781  150.203   53.743 -42.79651 66.86430 
1 1 1    5   13    6 o  345.374   43.202  246.666   56.456  286.785   80.026  206.917   79.657  377.716   54.292  313.032   67.216 64.68417 86.40327 
1 1 1    5   13    7 o  481.746   46.324  471.263   86.956  438.073  119.896  508.096  126.303  463.665   66.262  499.827   64.754 -36.16183 92.64847 
1 1 1    5   13    8 o  407.347   56.461  357.864   82.715  374.063  101.642  326.103  142.327  430.038   60.567  384.657   95.305 45.38110 112.9218 
1 1 1    5   13    9 o  233.782   49.265  111.629   48.574   89.853   65.675  137.926   72.170  212.095   69.120  255.469   70.218 -43.37358 98.52974 
1 1 1    5   13   10 o  207.386   54.732   89.544   44.941   89.544   44.941   0.0000   0.0000  207.386   54.732  ?   ?       ?      ? 
1 1 1    5   13   11 o  306.393   60.746  196.180   70.067  196.180   70.067   0.0000   0.0000  306.393   60.746  ?   ?       ?      ? 
1 1 1    5   13   12 o  718.877   83.350  1084.12  233.826  1084.12  233.826   0.0000   0.0000  718.877   83.350  ?   ?       ?      ? 
1 1 1    5   13   13 o  757.023   86.929  1213.74  256.807  1213.74  256.807   0.0000   0.0000  757.023   86.929  ?   ?       ?      ? 
1 1 1    5   13   14 o  493.508   66.044  499.652  127.192  499.652  127.192   0.0000   0.0000  493.508   66.044  ?   ?       ?      ? 
1 1 1    5   13   15 o  587.769   77.008  723.066  176.635  723.066  176.635   0.0000   0.0000  587.769   77.008  ?   ?       ?      ? 
1 1 1    5   13   16 o  300.133   87.304  198.079  108.403  198.079  108.403   0.0000   0.0000  300.133   87.304  ?   ?       ?      ? 
1 1 1    5   13   17 o  547.651  117.240  708.484  242.999  708.484  242.999   0.0000   0.0000  547.651  117.240  ?   ?       ?      ? 
1 1 1    5   13   18 f  366.217   99.570  309.572  146.044  309.572  146.044   0.0000   0.0000  366.217   99.570  ?   ?       ?      ? 
1 1 1    5   13   19 o  513.700   82.799  648.070  164.033  504.135  229.343  798.813  234.705  444.406  126.293  582.993  107.111 -138.5869 165.5976 
1 1 1    5   13   20 o  272.370   64.470  151.244   75.750  223.561  137.680  119.850   90.714  307.521  100.071  237.218   81.312 70.30292 128.9407 
1 1 1    5   13   21 o  166.051   48.414  -6.7796   42.447  104.941   97.695 -32.7781   47.128  226.461   83.634  105.642   48.798 120.8183 96.82891 
1 1 1    5   13   22 o  147.376   45.545 -15.5752   54.557 -139.8553   97.422   41.208   65.852  127.353   61.899  167.400   66.828 -40.04676 91.09042 
1 1 1    5   13   23 o  326.732   55.613  244.370   82.919  447.130  122.974   75.328  112.285  444.971   70.819  208.492   85.766 236.4785 111.2256 
1 1 1    5   13   24 o  313.470   60.009  249.323   85.821  405.131  123.027  101.644  119.775  407.372   80.244  219.568   89.247 187.8040 120.0172 
1 1 1    5   13   25 o  308.285   66.763  271.262   89.948  301.287  114.472  222.807  145.422  340.287   86.127  276.283  102.037 64.00391 133.5266 
1 1 1    5   13   26 o  239.040   49.625  120.707   28.968  119.533   29.704  143.499  130.921  242.557   31.382  235.523   94.157 7.034668 99.24901 
1 1 1    5   13   27 o  170.494   43.655   60.861   23.027   64.310   23.326 -71.4899  144.487  173.807   35.588  167.180   79.727 6.627502 87.30961 
1 1 1    5   13   28 o  172.848   53.344   26.430   17.826   24.621   17.934  174.011  161.983  109.881   36.135  235.815  100.381 -125.9346 106.6870 
1 1 1    5   13   29 o  238.014   53.773  127.121   29.790  125.340   30.166  197.342  189.393  246.077   31.413  229.951  102.856 16.12569 107.5464 
1 1 1    5   13   30 o  233.244   45.868  166.835   32.722  172.486   33.159 -43.0415  202.062  288.983   29.404  177.505   86.895 111.4781 91.73540 
1 1 1    5   13   31 o  227.254   45.891  155.567   32.638  160.765   33.058 -44.7940  205.240  278.166   30.454  176.341   86.582 101.8245 91.78160 
1 1 1    5   13   32 o  462.062   53.880  505.377   97.154  505.377   97.154   0.0000   0.0000  462.062   53.880  ?   ?       ?      ? 
1 1 1    5   13   33 o  189.033   43.727   88.888   26.317   90.527   26.792   43.859  140.422  206.436   33.257  171.631   80.884 34.80554 87.45443 
1 1 1    5   14    0 o  357.958   52.653  263.389   67.811  244.689   82.654  301.891  118.601  342.046   64.283  373.870   83.409 -31.82397 105.3062 
1 1 1    5   14    1 o  330.723   50.749  231.022   60.974  229.516   75.030  233.950  104.632  332.343   60.063  329.104   81.820 3.239410 101.4987 
1 1 1    5   14    2 o  237.214   46.027  121.236   43.128  133.067   52.902   97.788   74.472  252.650   55.199  221.778   73.668 30.87155 92.05405 
1 1 1    5   14    3 o  680.974   69.757  973.666  173.692  936.619  210.533  1052.63  307.356  671.331   80.362  690.617  114.044 -19.28589 139.5140 
1 1 1    5   14    4 o  635.286   53.474  829.377  132.176  746.590  181.448  922.973  192.930  600.824   77.388  669.747   73.817 -68.92310 106.9477 
1 1 1    5   14    5 o  273.065   49.033  155.183   49.479  151.691   59.407  163.092   89.401  269.457   58.198  276.673   78.929 -7.215240 98.06502 
1 1 1    5   14    6 o  443.865   45.152  400.161   78.172  403.440  109.188  396.713  111.967  446.034   62.730  441.696   64.958 4.337738 90.30302 
1 1 1    5   14    7 o  136.690   28.662   20.188   15.716   5.0568   17.776   74.358   33.634   83.864   34.268  189.515   45.953 -105.6514 57.32340 
1 1 1    5   14    8 o  784.490   84.573  1391.69  234.742  1411.70  288.428  1352.43  403.997  817.244   90.439  751.737  142.939 65.50659 169.1469 
1 1 1    5   14    9 o  431.520   56.038  383.464   86.468  365.810  104.656  421.436  153.486  424.245   63.214  438.795   92.547 -14.54984 112.0756 
1 1 1    5   14   10 o  600.300   63.009  733.374  138.126  680.676  165.916  852.365  249.315  573.878   74.086  626.721  101.939 -52.84314 126.0173 
1 1 1    5   14   11 o  454.724   58.849  450.166   95.809  470.346  118.429  411.942  162.992  480.343   63.179  429.106   99.302 51.23645 117.6971 
1 1 1    5   14   12 o  711.080   78.872  1139.93  198.974  1148.87  244.463  1122.38  342.482  736.984   85.001  685.175  132.882 51.80981 157.7431 
1 1 1    5   14   13 o  273.640   80.467  161.287   91.647  161.287   91.647   0.0000   0.0000  273.640   80.467  ?   ?       ?      ? 
1 1 1    5   14   14 o  465.564  104.883  495.022  185.980  495.022  185.980   0.0000   0.0000  465.564  104.883  ?   ?       ?      ? 
1 1 1    5   14   15 o  391.354   66.597  342.224  100.476  383.640  147.577  306.437  137.181  413.947   93.558  368.762   94.803 45.18521 133.1940 
1 1 1    5   14   16 o  357.284   54.292  281.638   75.015  352.175  102.616  200.677  109.937  413.643   63.571  300.925   88.030 112.7189 108.5839 
1 1 1    5   14   17 o  224.213   51.845  103.285   52.225  118.012   76.974   90.723   71.091  236.064   74.629  212.363   71.986 23.70120 103.6897 
1 1 1    5   14   18 o  676.563  100.451  1201.65  256.420  1320.75  377.079  1099.20  349.728  709.969  141.072  643.156  143.040 66.81335 200.9022 
1 1 1    5   14   19 o  112.980   39.093 -52.5876   17.562   35.240   86.019 -56.4075   17.939  181.435   74.900   44.524   22.429 136.9108 78.18629 
1 1 1    5   14   20 o  242.469   62.611  128.211   78.029   65.844  140.237  156.177   93.908  223.959   94.270  260.978   82.423 -37.01866 125.2211 
1 1 1    5   14   21 o  197.529   60.127   37.207   62.403   77.639  163.863   30.348   67.488  233.400  100.196  161.658   66.495 71.74217 120.2531 
1 1 1    5   14   22 o  230.654   63.800  116.652   82.441   78.693  146.734  134.161   99.656  222.749   95.197  238.559   84.967 -15.81017 127.6002 
1 1 1    5   14   23 o  256.091   60.660  159.501   77.030  244.266  109.805   77.362  108.090  307.549   87.382  204.633   84.160 102.9161 121.3198 
1 1 1    5   14   24 o  363.515   72.537  374.237  103.682  357.949  126.250  407.978  181.711  369.849   88.632  357.181  114.850 12.66782 145.0731 
1 1 1    5   14   25 o  156.449   43.838   38.965   18.358   40.013   18.559  -8.6744  125.087  137.237   34.648  175.661   80.540 -38.42416 87.67632 
1 1 1    5   14   26 o  229.086   47.357  135.807   32.832  141.125   33.674   33.425  147.746  262.647   32.854  195.525   88.834 67.12149 94.71495 
1 1 1    5   14   27 o  256.638   64.633  207.579   91.777  263.880  110.906   85.268  163.468  303.957   88.274  209.320   94.431 94.63614 129.2654 
1 1 1    5   14   28 o  264.575   45.524  234.469   39.752  249.193   40.987   1.1491  163.166  348.035   30.178  181.115   85.900 166.9194 91.04738 
1 1 1    5   14   29 o  203.518   43.309  108.808   26.719  112.188   27.250   24.587  136.020  232.926   29.979  174.109   81.264 58.81639 86.61782 
1 1 1    5   14   30 o  261.716   49.082  215.522   37.631  220.375   38.390   96.373  190.220  325.905   30.185  197.527   93.409 128.3782 98.16471 
1 1 1    5   14   31 o  349.144   57.283  474.889   84.533  519.340   91.993  233.681  214.295  475.575   49.568  222.713  103.289 252.8622 114.5669 
1 1 1    5   14   32 o   98.587   35.791   18.574   17.779   18.574   17.779   0.0000   0.0000   98.587   35.791  ?   ?       ?      ? 
1 1 1    5   15    0 o  208.257   50.301   83.630   49.934   56.387   77.222  103.207   65.461  192.701   73.657  223.814   68.522 -31.11279 100.6015 
1 1 1    5   15    1 o  982.180  127.137  2488.62  476.395  2760.76  699.183  2252.80  650.859  1045.41  171.385  918.949  187.836 126.4614 254.2734 
1 1 1    5   15    2 o  632.291   85.989  914.236  204.467  923.304  290.252  905.303  288.079  635.602  121.447  628.979  121.767 6.622986 171.9785 
1 1 1    5   15    3 o  577.032   80.219  749.232  174.099  815.827  251.915  688.341  240.882  603.739  111.014  550.326  115.829 53.41333 160.4383 
1 1 1    5   15    4 o  228.142   47.294  109.259   44.420   97.768   71.712  116.413   56.582  220.797   72.240  235.486   61.060 -14.68987 94.58810 
1 1 1    5   15    5 o  355.777   63.305  276.992   88.025  302.887  124.771  251.332  124.203  372.968   87.274  338.587   91.726 34.38068 126.6107 
1 1 1    5   15    6 o  436.256   58.534  409.050   92.751  386.774  155.709  421.300  115.472  417.785   97.316  454.728   65.072 -36.94296 117.0670 
1 1 1    5   15    7 o  421.183   57.558  388.312   88.588  333.167  145.016  421.143  111.893  387.344   96.338  455.021   63.014 -67.67682 115.1165 
1 1 1    5   15    8 o  194.584   69.034   69.475   65.723   0.0000   0.0000   69.475   65.723  ?   ?   194.584   69.034      ?      ? 
1 1 1    5   15    9 o  130.673   36.660   18.792   28.344   32.431   35.503  -5.1801   47.069  139.083   50.564  122.264   53.094 16.81959 73.31927 
1 1 1    5   15   10 o  321.890   61.351  227.734   78.817  234.320  109.009  220.520  114.092  327.072   84.725  316.707   88.754 10.36447 122.7013 
1 1 1    5   15   11 o  634.169   73.292  897.322  164.561  906.299  201.610  879.403  284.848  657.562   78.568  610.775  123.749 46.78668 146.5832 
1 1 1    5   15   12 o  691.239   80.181  1148.46  195.043  1340.99  249.872  848.201  312.036  797.846   80.254  584.633  138.836 213.2130 160.3630 
1 1 1    5   15   13 o  283.764   52.497  180.170   58.658  203.997   73.540  138.499   97.253  310.694   62.814  256.834   84.131 53.85974 104.9932 
1 1 1    5   15   14 o  632.389   75.221  929.814  169.238  998.449  212.092  809.519  280.786  687.504   79.053  577.274  127.998 110.2299 150.4420 
1 1 1    5   15   15 o  138.366   39.712   16.481   33.180   30.131   51.610   6.8646   43.318  151.734   59.605  124.999   52.493 26.73535 79.42462 
1 1 1    5   15   16 o  284.365   55.197  178.637   63.469  199.948   88.851  156.432   90.696  301.553   75.636  267.178   80.411 34.37506 110.3931 
1 1 1    5   15   17 o  176.124   57.878 -24.7497   32.959  117.337  178.023 -29.7927   33.539  265.522  108.464   86.726   40.437 178.7955 115.7568 
1 1 1    5   15   18 o  184.269   59.368   18.927   49.983 -62.7165  211.378   23.763   51.442  223.325  103.223  145.212   58.678 78.11230 118.7354 
1 1 1    5   15   19 o  312.795   90.816  235.606  117.399   0.0000   0.0000  235.606  117.399  ?   ?   312.795   90.816      ?      ? 
1 1 1    5   15   20 o  348.787   74.978  335.754  118.213  220.506  183.792  417.071  154.384  291.773  113.081  405.801   98.486 -114.0279 149.9558 
1 1 1    5   15   21 o  191.006   58.437   41.273   66.142   34.629  155.722   42.735   73.060  210.757   93.840  171.254   69.667 39.50249 116.8737 
1 1 1    5   15   22 o  146.947   48.510 -54.7426   61.324   6.3412  112.522 -80.5521   73.142  176.987   79.215  116.907   56.016 60.07969 97.01944 
1 1 1    5   15   23 o  231.174   69.684  117.440  102.075   97.494  214.265  123.296  116.096  235.528  106.998  226.821   89.304 8.707230 139.3687 
1 1 1    5   15   24 o  154.654   54.445 -102.8795   72.090 -62.2849  203.864 -108.6812   77.070  197.009   94.160  112.299   54.689 84.71056 108.8901 
1 1 1    5   15   25 o  142.868   47.638 -57.5597   69.214 -39.9354   93.862 -78.5649  102.470  145.151   67.667  140.585   67.071 4.566254 95.27522 
1 1 1    5   15   26 o  251.180   49.458  173.123   35.060  177.828   35.904   76.576  162.638  294.799   31.210  207.562   93.863 87.23643 98.91589 
1 1 1    5   15   27 o  177.839   57.589   25.498   75.843   3.8935   86.277   98.973  159.105  150.202   68.104  205.475   92.886 -55.27223 115.1783 
1 1 1    5   15   28 o  290.071   54.205  278.056   72.737  329.716   84.694  132.862  141.988  371.663   58.394  208.479   91.340 163.1846 108.4108 
1 1 1    5   15   29 o  255.385   40.537  231.958   36.932  253.852   38.485 -22.9850  131.325  351.249   28.077  159.522   76.057 191.7271 81.07408 
1 1 1    5   15   30 o  239.589   30.798  119.559   28.796  119.559   28.796   0.0000   0.0000  239.589   30.798  ?   ?       ?      ? 
1 1 1    5   15   31 o  317.283   29.343  209.235   36.331  209.235   36.331   0.0000   0.0000  317.283   29.343  ?   ?       ?      ? 
1 1 1    5   16    0 o  338.751   51.513  248.456   65.013  269.563   81.643  211.878  107.478  365.335   57.266  312.168   85.644 53.16736 103.0251 
1 1 1    5   16    1 o  248.561   50.669  127.260   52.085  100.620   69.557  161.266   78.586  222.228   71.016  274.894   72.293 -52.66595 101.3387 
1 1 1    5   16    2 o  403.270   66.236  358.632  102.213  345.101  141.950  373.203  147.300  395.315   93.484  411.225   93.858 -15.91061 132.4711 
1 1 1    5   16    3 o  280.116   56.088  168.140   63.987  163.861   87.629  173.028   93.652  276.552   77.882  283.681   80.734 -7.129333 112.1769 
1 1 1    5   16    4 o  250.305   50.286  131.435   50.903  141.442   78.884  124.295   66.632  258.027   74.307  242.583   67.772 15.44434 100.5714 
1 1 1    5   16    5 o  330.087   84.469  237.866  109.259  237.866  109.259   0.0000   0.0000  330.087   84.469  ?   ?       ?      ? 
1 1 1    5   16    6 o   76.968   26.938 -11.9910   5.2771 -12.3751   5.3202   11.468   41.575   27.215   13.471  126.721   52.165 -99.50620 53.87619 
1 1 1    5   16    7 o  437.720   59.144  416.643   95.509  383.895  154.176  437.037  121.666  414.282   97.063  461.159   67.606 -46.87640 118.2876 
1 1 1    5   16    8 o  428.401   96.702  410.407  157.833  410.407  157.833   0.0000   0.0000  428.401   96.702  ?   ?       ?      ? 
1 1 1    5   16    9 o  799.269   91.130  1348.63  262.953  912.209  320.906  2240.46  458.738  608.556  138.271  989.982  118.742 -381.4269 182.2596 
1 1 1    5   16   10 o  558.093  114.725  723.225  241.510  723.225  241.510   0.0000   0.0000  558.093  114.725  ?   ?       ?      ? 
1 1 1    5   16   11 o  729.549  100.559  1317.69  275.660  1201.68  377.665  1449.97  403.278  691.829  144.546  767.270  139.839 -75.44135 201.1180 
1 1 1    5   16   12 o  599.586  122.745  857.153  277.532   0.0000   0.0000  857.153  277.532  ?   ?   599.586  122.745      ?      ? 
1 1 1    5   16   13 o  457.602  104.683  484.361  182.883   0.0000   0.0000  484.361  182.883  ?   ?   457.602  104.683      ?      ? 
1 1 1    5   16   14 o  397.712   71.740  365.643  111.545  405.314  164.964  332.226  151.403  417.366  102.120  378.058  100.786 39.30856 143.4790 
1 1 1    5   16   15 o   98.459   32.705 -52.9904   28.281  -6.7678   52.529 -71.8561   33.559  127.304   55.672   69.613   34.341 57.69082 65.41096 
1 1 1    5   16   16 o  128.740   40.156 -18.3376   36.467   19.987   66.533 -34.7947   43.599  157.363   65.491  100.117   46.487 57.24665 80.31229 
1 1 1    5   16   17 o  399.893   61.852  372.221   97.150  498.228  139.029  251.985  135.808  477.935   74.543  321.852   98.723 156.0830 123.7048 
1 1 1    5   16   18 o  147.484   43.224 -48.0838   32.028  108.828   86.286 -73.1567   34.492  224.577   79.161   70.391   34.741 154.1855 86.44864 
1 1 1    5   16   19 o  300.589   66.009  219.638   84.719  282.515  134.078  177.850  109.304  331.347   97.298  269.831   89.230 61.51566 132.0185 
1 1 1    5   16   20 o  248.651   67.245  122.544   78.939  234.809  165.743   89.607   89.774  289.842  108.557  207.461   79.390 82.38089 134.4894 
1 1 1    5   16   21 o  252.169   67.915  168.724   98.232   48.822  188.954  213.131  114.993  221.180  100.479  283.158   91.397 -61.97841 135.8292 
1 1 1    5   16   22 o  179.756   59.583 -77.3475   54.397  214.256  185.923 -104.6464   56.887  267.698  110.270   91.813   45.179 175.8853 119.1661 
1 1 1    5   16   23 o  177.792   51.265   4.9062   64.513  138.107   96.665 -102.0676   86.628  232.824   83.602  122.760   59.357 110.0649 102.5306 
1 1 1    5   16   24 o  156.322   48.550   8.1036   60.102   53.147   70.364 -113.4191  115.575  170.904   68.778  141.740   68.541 29.16470 97.09981 
1 1 1    5   16   25 o  210.006   59.583  108.426   71.102  111.635   83.566  100.011  135.327  209.968   77.385  210.044   90.620 -0.7630920E-01 119.1656 
1 1 1    5   16   26 o  136.714   45.896 -63.8363   68.426  -7.7026   89.271 -143.7920  106.542  147.990   67.921  125.439   61.745 22.55070 91.79203 
1 1 1    5   16   27 o  146.772   36.369   51.992   21.107   58.937   21.388 -207.1896  130.658  165.030   34.329  128.514   64.128 36.51572 72.73825 
1 1 1    5   16   28 o  313.514   63.108  247.749   74.537  247.749   74.537   0.0000   0.0000  313.514   63.108  ?   ?       ?      ? 
1 1 1    5   16   29 o  286.498   32.072  171.788   35.857  171.788   35.857   0.0000   0.0000  286.498   32.072  ?   ?       ?      ? 
1 1 1    5   16   30 o  160.055   42.642   53.280   20.525   54.776   20.734 -19.8778  144.991  158.064   34.576  162.045   77.962 -3.980759 85.28461 
1 1 1    5   17    0 o  728.489   81.505  1231.89  210.741  1308.21  263.607  1096.74  350.806  785.546   85.991  671.432  138.484 114.1136 163.0100 
1 1 1    5   17    1 o  510.900   61.953  541.289  113.055  503.597  136.448  623.830  201.919  493.733   70.818  528.067  101.674 -34.33435 123.9062 
1 1 1    5   17    2 o  492.714   63.669  530.697  112.515  541.685  138.695  509.544  192.428  512.592   69.336  472.836  106.807 39.75583 127.3389 
1 1 1    5   17    3 o  606.532   70.150  810.947  150.955  815.870  184.934  801.119  261.314  625.713   75.737  587.352  118.102 38.36066 140.3001 
1 1 1    5   17    4 o  420.715   48.914  369.541   78.050  370.059  104.952  368.900  116.746  425.439   63.215  415.992   74.660 9.446808 97.82765 
1 1 1    5   17    5 o  786.999   79.177  1341.58  225.474  1257.68  269.899  1535.42  410.219  765.902   90.302  808.097  130.083 -42.19507 158.3541 
1 1 1    5   17    6 o  529.625   51.659  580.309  106.211  556.125  142.014  611.006  159.999  518.416   70.197  540.834   75.809 -22.41840 103.3182 
1 1 1    5   17    7 f  474.301   63.138  447.018   99.702  405.026  113.960  584.047  205.860  443.787   65.803  504.815  107.777 -61.02716 126.2768 
1 1 1    5   17    8 o  213.499   53.377   80.899   50.605   72.196   59.072  104.900   98.096  192.766   65.618  234.231   84.206 -41.46506 106.7539 
1 1 1    5   17    9 o  429.107   58.693  377.777   87.227  352.082  102.313  446.146  166.893  414.186   63.300  444.028   98.856 -29.84201 117.3862 
1 1 1    5   17   10 o  502.219   78.165  585.154  148.786  546.497  202.744  630.269  219.028  484.349  109.798  520.088  111.281 -35.73920 156.3299 
1 1 1    5   17   11 o  451.042   61.877  424.932   97.657  394.874  115.376  500.870  183.386  436.053   67.802  466.031  103.528 -29.97781 123.7546 
1 1 1    5   17   12 o  623.357   78.493  827.697  190.942  827.697  190.942   0.0000   0.0000  623.357   78.493  ?   ?       ?      ? 
1 1 1    5   17   13 o  420.696   61.713  429.642   97.723  544.377  125.799  255.041  155.186  512.042   62.956  329.349  106.162 182.6932 123.4254 
1 1 1    5   17   14 o  398.494   63.014  380.107   95.851  441.197  121.574  279.752  155.821  456.779   68.203  340.209  105.979 116.5702 126.0285 
1 1 1    5   17   15 o  340.173   60.690  282.461   83.953  357.429  109.630  176.162  130.544  402.715   72.422  277.631   97.408 125.0834 121.3801 
1 1 1    5   17   16 o  205.231   51.862   73.569   56.630  138.413   82.180   14.934   78.147  247.480   76.943  162.981   69.558 84.49889 103.7239 
1 1 1    5   17   17 o  139.723   42.321 -45.5390   40.715   71.416   76.604 -91.5853   48.066  194.242   73.573   85.204   41.848 109.0376 84.64152 
1 1 1    5   17   18 o  525.037   97.000  695.504  191.422  695.504  191.422   0.0000   0.0000  525.037   97.000  ?   ?       ?      ? 
1 1 1    5   17   19 f  282.950   67.414  197.730   86.973  289.805  142.581  143.168  109.758  323.568  101.472  242.333   88.782 81.23509 134.8289 
1 1 1    5   17   20 o  174.426   54.620 -68.0516   51.686  181.148  142.702 -105.6788   55.451  258.813   99.827   90.038   44.363 168.7752 109.2406 
1 1 1    5   17   21 o  136.947   48.943 -93.1566   50.602 -60.6478  168.627 -96.3737   53.046  184.700   87.521   89.195   43.839 95.50509 97.88642 
1 1 1    5   17   22 o  149.636   53.171 -82.4103   59.295 -62.6985  203.635 -84.2364   61.981  196.383   93.930  102.890   49.860 93.49300 106.3429 
1 1 1    5   17   23 o  225.596   60.782  125.646   72.579  100.466   92.323  166.387  117.434  206.497   80.114  244.694   91.430 -38.19705 121.5637 
1 1 1    5   17   24 o  214.344   58.182  119.561   67.197  130.759   78.758   89.596  128.832  224.219   75.770  204.469   88.316 19.75052 116.3647 
1 1 1    5   17   25 o  143.062   48.224 -40.4455   63.687 -44.0181   73.325 -29.4723  128.508  123.662   58.330  162.462   76.811 -38.80012 96.44850 
1 1 1    5   17   26 o  165.456   67.322   58.390   68.243   58.390   68.243   0.0000   0.0000  165.456   67.322  ?   ?       ?      ? 
1 1 1    5   17   27 o  335.972   60.461  278.430   76.355  278.430   76.355   0.0000   0.0000  335.972   60.461  ?   ?       ?      ? 
1 1 1    5   17   28 o  123.211   42.175 -51.6331   54.446 -25.1387   60.343 -167.6548  126.276  116.377   54.254  130.044   64.587 -13.66717 84.35006 
1 1 1    5   17   29 o  186.638   57.454   84.642   63.049   79.438   67.521  120.070  176.170  175.645   68.410  197.632   92.324 -21.98726 114.9071 
1 1 1    5   17   30 o  144.162   45.737   29.092   17.679   29.299   17.760   6.5299  185.531  115.787   35.732  172.537   84.206 -56.75040 91.47329 
1 1 1    5   18    0 o  194.383   53.835   45.030   63.812 -32.7940  101.619   95.697   81.994  167.202   75.026  221.564   77.228 -54.36174 107.6710 
1 1 1    5   18    1 o  1075.73  125.485  3118.22  473.774  3129.23  582.639  3096.75  813.975  1150.53  129.769  1000.93  214.817 149.6017 250.9709 
1 1 1    5   18    2 o  632.409   73.234  898.488  164.107  911.409  201.495  873.032  282.825  658.406   78.422  606.411  123.705 51.99500 146.4680 
1 1 1    5   18    3 o  254.966   55.287  137.650   56.507  141.448   66.031  127.259  109.225  257.500   65.543  252.432   89.055 5.068619 110.5741 
1 1 1    5   18    4 o  621.720   54.468  804.442  131.483  743.566  175.493  882.341  198.520  596.026   75.451  647.414   78.576 -51.38861 108.9357 
1 1 1    5   18    5 o  233.254   52.381  110.055   50.151  106.588   59.375  118.687   93.683  224.722   64.395  241.786   82.633 -17.06400 104.7615 
1 1 1    5   18    6 o  170.039   47.981   37.587   38.417   39.379   41.897   28.123   96.272  151.388   54.945  188.690   78.675 -37.30217 95.96180 
1 1 1    5   18    7 o  413.925   54.245  371.454   82.917  390.546  106.337  341.839  132.437  436.052   62.491  391.797   88.686 44.25543 108.4908 
1 1 1    5   18    8 o  176.140   49.831   36.515   34.223   34.524   36.008   55.123  110.074  141.301   50.990  210.979   85.630 -69.67708 99.66223 
1 1 1    5   18    9 o  441.422   60.246  377.864   89.098  329.401  101.643  538.653  185.140  398.667   65.333  484.177  101.243 -85.50995 120.4929 
1 1 1    5   18   10 o  195.014   54.374   55.512   56.049   56.391   65.541   53.120  108.132  182.361   68.272  207.667   84.648 -25.30669 108.7490 
1 1 1    5   18   11 o  662.026   80.800  948.117  208.745  948.117  208.745   0.0000   0.0000  662.026   80.800  ?   ?       ?      ? 
1 1 1    5   18   12 o  617.169   79.795  829.640  192.181  829.640  192.181   0.0000   0.0000  617.169   79.795  ?   ?       ?      ? 
1 1 1    5   18   13 o  168.117   48.654   30.425   51.765   60.705   60.525 -52.0597   99.897  180.800   65.976  155.435   71.527 25.36496 97.30818 
1 1 1    5   18   14 o  187.036   51.415   56.514   55.447   83.653   71.579   15.799   87.674  202.905   72.037  171.167   73.380 31.73804 102.8296 
1 1 1    5   18   15 o  180.880   51.702   44.537   57.887   71.889   76.349   7.5558   88.779  194.856   73.536  166.905   72.698 27.95059 103.4049 
1 1 1    5   18   16 o  163.696   46.160 -24.7426   57.157  109.210   78.655 -174.6283   83.201  220.870   75.715  106.523   52.823 114.3472 92.32006 
1 1 1    5   18   17 o  384.042   83.433  446.411  138.644  401.066  205.952  483.990  187.490  357.282  122.517  410.802  113.286 -53.52069 166.8656 
1 1 1    5   18   18 o  342.496   73.183  331.189  106.897  387.611  155.613  280.773  147.097  371.553  103.487  313.439  103.507 58.11453 146.3666 
1 1 1    5   18   19 o  169.719   54.134  -8.8649   61.630   75.734  134.010 -31.5569   69.405  210.359   90.466  129.080   59.481 81.27864 108.2685 
1 1 1    5   18   20 f  206.198   61.140   49.733   71.791  185.771  148.877   8.5161   81.948  256.496  101.084  155.900   68.809 100.5959 122.2810 
1 1 1    5   18   21 o  151.279   50.104 -49.0198   61.891   30.455  124.411 -75.1565   71.346  187.213   83.579  115.346   55.282 71.86670 100.2076 
1 1 1    5   18   22 o  167.999   54.144  -1.9520   77.021   20.795  120.188 -17.8033  100.331  179.836   81.065  156.162   71.795 23.67375 108.2870 
1 1 1    5   18   23 o  198.076   96.802 -70.5066  247.626 -70.5066  247.626   0.0000   0.0000  198.076   96.802  ?   ?       ?      ? 
1 1 1    5   18   24 o  167.167   71.977   45.592   85.029   45.592   85.029   0.0000   0.0000  167.167   71.977  ?   ?       ?      ? 
1 1 1    5   18   25 o  141.060   43.505 -45.2706   59.678   84.209   72.190 -324.7447  106.060  182.901   70.875   99.219   50.473 83.68190 87.00978 
1 1 1    5   18   26 o  237.107   53.234  184.914   68.544  239.967   79.723   28.849  134.228  300.964   69.310  173.249   80.817 127.7149 106.4674 
1 1 1    5   18   27 o  185.441   55.344   88.881   65.384   98.601   73.352   51.288  144.251  190.413   72.025  180.470   84.050 9.943054 110.6887 
1 1 1    5   18   28 o  157.147   53.158   2.8866   71.130   6.5358   76.660 -19.7029  190.730  140.308   63.841  173.986   85.014 -33.67747 106.3152 
1 1 1    5   18   29 o  210.607   47.739  121.386   31.710  123.319   32.026   25.097  226.068  240.436   34.133  180.777   89.169 59.65843 95.47890 
1 1 1    5   19    0 o  417.937   67.249  362.055  109.680  362.055  109.680   0.0000   0.0000  417.937   67.249  ?   ?       ?      ? 
1 1 1    5   19    1 o  199.889   82.423   40.432  104.009   40.432  104.009   0.0000   0.0000  199.889   82.423  ?   ?       ?      ? 
1 1 1    5   19    2 o  263.875   90.327  146.110  111.942  146.110  111.942   0.0000   0.0000  263.875   90.327  ?   ?       ?      ? 
1 1 1    5   19    3 o  175.458   69.533   40.335   70.811   40.335   70.811   0.0000   0.0000  175.458   69.533  ?   ?       ?      ? 
1 1 1    5   19    4 o  672.907   78.769  962.071  206.843  962.071  206.843   0.0000   0.0000  672.907   78.769  ?   ?       ?      ? 
1 1 1    5   19    5 o  394.620   70.987  315.612   86.131  294.092   93.597  434.593  220.080  371.496   67.028  417.745  125.155 -46.24948 141.9734 
1 1 1    5   19    6 o  436.168   69.504  355.855   90.275  317.091   97.953  574.463  232.613  391.079   64.183  481.258  123.302 -90.17889 139.0071 
1 1 1    5   19    7 o  365.222   67.078  315.067   87.041  329.291   97.318  258.190  194.604  398.623   62.561  331.821  118.675 66.80197 134.1554 
1 1 1    5   19    8 o  391.763   67.087  311.482   83.937  282.466   92.927  440.060  195.617  361.827   68.316  421.699  115.479 -59.87198 134.1736 
1 1 1    5   19    9 o  454.206   70.336  449.600  105.908  421.484  120.067  548.167  224.810  446.096   68.970  462.317  122.605 -16.22095 140.6729 
1 1 1    5   19   10 o  412.355   79.164  412.430  127.312  360.790  160.078  501.316  210.016  383.956  104.183  440.755  119.222 -56.79959 158.3285 
1 1 1    5   19   11 o  406.101   70.825  392.783  101.901  383.047  118.308  420.765  200.568  414.043   76.023  398.160  119.521 15.88306 141.6499 
1 1 1    5   19   12 o  251.741   61.616  140.523   66.486  145.347   74.340  121.242  148.619  253.831   71.822  249.650  100.137 4.180878 123.2311 
1 1 1    5   19   13 o  369.857   70.430  338.240   96.795  327.670  113.400  366.613  185.792  375.347   79.872  364.366  116.025 10.98108 140.8597 
1 1 1    5   19   14 o  221.186   58.208  105.822   68.349  130.853   83.903   56.441  117.845  237.788   78.155  204.584   86.281 33.20393 116.4164 
1 1 1    5   19   15 o  323.372   62.666  279.049   92.223  396.500  122.160  123.406  140.626  408.010   79.581  238.733   96.825 169.2773 125.3324 
1 1 1    5   19   16 o  195.068   58.567   53.324   77.861   66.540  107.756   38.884  112.630  200.010   83.301  190.125   82.347 9.885300 117.1332 
1 1 1    5   19   17 o  298.389   73.485  259.539  104.442  252.462  138.479  268.875  159.057  297.458  100.471  299.321  107.265 -1.862732 146.9701 
1 1 1    5   19   18 o  323.831  105.548  316.455  153.142  316.455  153.142   0.0000   0.0000  323.831  105.548  ?   ?       ?      ? 
1 1 1    5   19   19 o  368.821  142.146  614.641  289.160  614.641  289.160   0.0000   0.0000  368.821  142.146  ?   ?       ?      ? 
1 1 1    5   19   20 o  234.759   94.262  146.054  131.838  146.054  131.838   0.0000   0.0000  234.759   94.262  ?   ?       ?      ? 
1 1 1    5   19   21 o  214.456  103.083   9.6457  252.103   9.6457  252.103   0.0000   0.0000  214.456  103.083  ?   ?       ?      ? 
1 1 1    5   19   22 o  194.783   66.176  -7.1697   87.310  248.931  258.238 -40.2228   92.773  248.408  114.562  141.157   66.278 107.2516 132.3530 
1 1 1    5   19   23 o  141.602   48.526 -78.4608   72.496 -20.7035  133.251 -102.7448   86.403  165.151   78.123  118.052   57.582 47.09872 97.05099 
1 1 1    5   19   24 o  153.356   52.269 -49.9666   79.090   29.674  152.878 -79.0710   92.418  179.966   84.685  126.746   61.291 53.21940 104.5379 
1 1 1    5   19   25 o  182.909   56.260   79.068   73.716   81.789   92.035   74.198  123.123  181.871   76.452  183.948   82.559 -2.076996 112.5203 
1 1 1    5   19   26 o  159.721   51.668   22.968   71.817   40.440   89.718  -8.1937  119.819  161.632   71.635  157.809   74.475 3.823532 103.3353 
1 1 1    5   19   27 o  157.270   52.371   2.8967   71.975 -13.4129   83.235   51.242  143.305  136.879   63.781  177.662   83.084 -40.78310 104.7425 
1 1 1    5   19   28 o  160.150   53.551   19.468   77.031   18.289   86.811   23.835  167.056  147.969   67.562  172.331   83.105 -24.36246 107.1029 
1 1 1    5   20    0 o  398.790   80.929  392.544  133.258  350.682  189.745  433.288  187.193  376.211  116.907  421.369  111.941 -45.15738 161.8585 
1 1 1    5   20    1 o  521.117   76.038  581.027  154.632  581.027  154.632   0.0000   0.0000  521.117   76.038  ?   ?       ?      ? 
1 1 1    5   20    2 o  271.074   61.593  165.700   70.000  179.156   80.001  121.749  144.583  285.541   71.853  256.607  100.061 28.93387 123.1869 
1 1 1    5   20    3 o  335.444   65.665  273.889   84.549  296.044   96.931  203.406  172.887  369.545   69.772  301.343  111.263 68.20236 131.3302 
1 1 1    5   20    4 o  429.422   71.655  452.203  109.926  475.822  127.487  383.748  217.041  474.257   68.884  384.588  125.668 89.66928 143.3091 
1 1 1    5   20    5 o  471.694   80.819  476.297  139.943  333.000  165.836  830.731  260.814  367.970  108.254  575.418  120.033 -207.4477 161.6378 
1 1 1    5   20    6 o  449.930   77.000  434.302  106.900  401.991  116.579  605.008  267.961  434.557   68.745  465.302  137.805 -30.74438 154.0001 
1 1 1    5   20    7 o  226.593  105.358 -75.4041  225.185   0.0000   0.0000 -75.4041  225.185  ?   ?   226.593  105.358      ?      ? 
1 1 1    5   20    9 o  139.657   54.216   28.678   42.301   28.678   42.301   0.0000   0.0000  139.657   54.216  ?   ?       ?      ? 
1 1 1    5   20   10 o  263.647   88.158  163.463  106.605  163.463  106.605   0.0000   0.0000  263.647   88.158  ?   ?       ?      ? 
1 1 1    5   20   11 o  422.428   78.020  412.575  123.876  412.575  123.876   0.0000   0.0000  422.428   78.020  ?   ?       ?      ? 
1 1 1    5   20   12 o  240.000   76.034  134.381   79.866  134.381   79.866   0.0000   0.0000  240.000   76.034  ?   ?       ?      ? 
1 1 1    5   20   13 o  121.488   56.106 -35.5594   62.260 -35.5594   62.260   0.0000   0.0000  121.488   56.106  ?   ?       ?      ? 
1 1 1    5   20   14 o  179.166   74.364   46.440   85.455   46.440   85.455   0.0000   0.0000  179.166   74.364  ?   ?       ?      ? 
1 1 1    5   20   15 o  130.003   61.618 -69.1848   83.690 -69.1848   83.690   0.0000   0.0000  130.003   61.618  ?   ?       ?      ? 
1 1 1    5   20   16 o  228.421   57.892   79.000   85.224  259.362  117.654 -120.1082  123.617  309.186   91.244  147.656   71.277 161.5304 115.7840 
1 1 1    5   20   17 o  211.358   65.906   68.676  108.062  -5.6738  178.100  111.994  135.945  199.655   93.121  223.061   93.289 -23.40562 131.8118 
1 1 1    5   20   18 o  333.860   90.358  415.318  160.007  586.481  264.238  316.218  201.061  369.953  137.362  297.767  117.432 72.18674 180.7168 
1 1 1    5   20   19 o  211.432   68.689   63.317  117.193   41.161  247.715   69.706  133.021  221.141  105.162  201.722   88.394 19.41882 137.3772 
1 1 1    5   20   20 f  200.850   61.376   42.611   88.952  195.151  145.447 -48.5342  112.429  248.915   99.334  152.786   72.116 96.12929 122.7521 
1 1 1    5   20   21 o  295.282   78.475  340.283  125.231  431.250  182.669  259.615  172.017  330.127  115.259  260.437  106.530 69.68921 156.9497 
1 1 1    5   20   22 o  174.163   56.461  -0.8945   81.303  142.426  142.374 -70.2469   99.039  214.070   92.651  134.257   64.552 79.81393 112.9217 
1 1 1    5   20   23 o  177.826   58.315   38.371   91.879   78.265  156.839   17.526  113.370  191.642   88.697  164.010   75.732 27.63219 116.6297 
1 1 1    5   20   24 o  188.552   60.606   78.184  100.261   9.6548  155.122  127.352  131.395  173.971   82.868  203.133   88.461 -29.16153 121.2121 
1 1 1    5   20   25 o  174.845   53.501   40.736   79.150  142.897   99.333 -136.9346  130.996  212.784   82.947  136.906   67.594 75.87839 107.0013 
1 1 1    5   20   26 o  232.508   69.658  236.192  111.226  247.165  139.041  216.691  185.357  245.645   97.407  219.371   99.604 26.27402 139.3167 
1 1 1    5   21    0 o  356.710   77.270  313.758  126.320  171.109  172.787  477.531  185.139  279.123  109.235  434.297  109.318 -155.1736 154.5406 
1 1 1    5   21    1 o  678.053   93.627  1275.44  225.419  1354.96  277.400  1120.82  386.785  764.534   92.977  591.571  162.540 172.9633 187.2537 
1 1 1    5   21    2 o  317.990   66.418  200.599   71.765  172.738   78.916  333.767  172.529  276.923   72.261  359.056  111.461 -82.13281 132.8355 
1 1 1    5   21    3 o  333.677   69.717  260.337   84.533  252.923   94.057  291.484  192.785  334.845   73.955  332.508  118.204 2.336609 139.4333 
1 1 1    5   21    4 o  701.586  201.973  1989.08  582.888   0.0000   0.0000  1989.08  582.888  ?   ?   701.586  201.973      ?      ? 
1 1 1    5   21    5 o  333.369   75.016  282.218  107.936  265.780  137.899  308.215  173.424  325.766   99.401  340.971  112.378 -15.20496 150.0314 
1 1 1    5   21    6 o  479.389   66.780  523.753  111.135  482.348  130.626  632.274  211.478  468.113   71.507  490.666  112.804 -22.55310 133.5592 
1 1 1    5   21    7 o  283.676   70.411  191.787   89.143  183.548  103.349  215.731  176.178  276.404   86.344  290.947  111.245 -14.54318 140.8212 
1 1 1    5   21    8 o  237.189   64.932  109.886   64.017  108.883   67.741  118.267  195.770  220.104   70.056  254.273  109.347 -34.16879 129.8637 
1 1 1    5   21    9 o  186.608   59.246   12.185   40.643   5.7306   41.705  134.127  181.269  119.566   50.916  253.650  106.994 -134.0850 118.4916 
1 1 1    5   21   10 o  227.891   67.218   92.239   86.167   81.779   97.355  130.062  185.128  205.783   81.537  250.000  106.887 -44.21704 134.4368 
1 1 1    5   21   11 o  303.224   79.560  272.623  124.075  271.735  156.873  274.106  202.767  307.527  106.842  298.921  117.916 8.606750 159.1209 
1 1 1    5   21   12 o  318.981   81.376  322.281  130.550  338.889  170.411  298.685  203.117  333.863  111.461  304.099  118.593 29.76447 162.7510 
1 1 1    5   21   13 o  177.838   57.732 -14.1497   90.746   19.425  112.560 -76.4914  153.380  180.365   80.073  175.310   83.187 5.055313 115.4634 
1 1 1    5   21   14 o  396.211   96.724  611.723  182.862  534.050  252.521  697.362  265.154  367.219  134.645  425.204  138.898 -57.98553 193.4479 
1 1 1    5   21   15 o  159.582   51.717 -30.1516   76.356   33.464   90.880 -182.8547  140.802  172.714   74.389  146.450   71.866 26.26445 103.4333 
1 1 1    5   21   16 o  176.519   56.996   0.2080   86.332   3.6734  112.242  -4.8121  135.093  172.037   77.871  181.000   83.250 -8.963348 113.9929 
1 1 1    5   21   17 o  390.171   82.481  558.391  154.206  728.125  206.019  342.141  232.542  487.481  110.809  292.861  122.206 194.6196 164.9630 
1 1 1    5   21   18 o  320.948   84.578  417.054  150.014  491.982  198.687  317.704  228.786  363.552  120.307  278.343  118.910 85.20987 169.1553 
1 1 1    5   21   19 o  292.115   83.638  357.851  146.558  273.300  190.810  479.498  228.872  263.847  110.449  320.383  125.627 -56.53552 167.2755 
1 1 1    5   21   20 o  219.416   67.625  148.567  109.779  195.130  156.339  103.278  154.184  234.759   99.214  204.073   91.920 30.68607 135.2500 
1 1 1    5   21   21 o  191.546   60.647   72.298   94.216  155.753  140.861   4.7382  126.739  216.702   92.959  166.389   77.915 50.31334 121.2936 
1 1 1    5   21   22 o  160.572   54.401 -32.6465   92.293   31.118  153.003 -69.1194  115.716  178.706   84.283  142.438   68.808 36.26732 108.8029 
1 1 1    5   21   23 f  197.083   64.438   99.146  107.933  147.633  207.135   81.074  126.457  207.910   98.059  186.256   83.627 21.65410 128.8761 
1 1 1    5   21   24 o  254.667   79.997  352.036  149.348  536.497  283.599  281.250  175.682  264.306  121.215  245.027  104.427 19.27872 159.9941 
1 1 1    5   21   25 o  155.799   54.129 -88.1054   96.883   88.875  174.462 -167.0178  116.496  188.632   89.280  122.966   61.230 65.66576 108.2585 
1 1 1    5   22    0 o  209.990   90.096   53.177  132.360   0.0000   0.0000   53.177  132.360  ?   ?   209.990   90.096      ?      ? 
1 1 1    5   22    1 o  217.360   62.073   73.314   89.685  149.915  112.592 -59.6587  148.345  251.626   90.240  183.094   85.259 68.53249 124.1465 
1 1 1    5   22    2 o  147.531   49.214 -46.9577   62.371 -24.7178   69.456 -139.5960  141.755  134.395   61.002  160.667   77.245 -26.27167 98.42789 
1 1 1    5   22    3 o  295.712   78.268  224.970  116.203  190.525  142.029  294.712  202.099  274.048  100.904  317.376  119.673 -43.32748 156.5352 
1 1 1    5   22    4 o  241.638   70.949   64.376   88.396   16.038   97.856  278.746  206.074  174.764   76.217  308.512  119.692 -133.7481 141.8982 
1 1 1    5   22    5 o  196.878   61.097   27.790   73.019   12.709   81.413   89.827  165.116  161.185   69.912  232.570  100.218 -71.38527 122.1942 
1 1 1    5   22    6 o  332.393   68.650  210.064   73.534  164.046   79.706  473.145  190.577  262.460   74.406  402.326  115.391 -139.8657 137.3002 
1 1 1    5   22    7 o  157.384   51.239   2.0476   53.550   20.409   56.258 -175.0218  174.706  143.886   60.080  170.882   83.018 -26.99626 102.4771 
1 1 1    5   22    8 o  462.801  166.908  1016.00  385.728   0.0000   0.0000  1016.00  385.728  ?   ?   462.801  166.908      ?      ? 
1 1 1    5   22   10 o  253.897   73.374  171.118  111.041  182.309  128.369  137.855  221.309  259.517   95.863  248.278  111.110 11.23920 146.7489 
1 1 1    5   22   11 o  194.041   61.824   27.835   59.842   16.902   62.816  135.161  196.816  145.763   62.290  242.319  106.811 -96.55579 123.6473 
1 1 1    5   22   12 o  136.289   47.140 -64.1728   58.440 -40.1646   62.127 -248.5937  172.189  117.875   54.985  154.703   76.585 -36.82873 94.27965 
1 1 1    5   22   13 o  173.859   55.967   11.222   74.407   32.575   82.803 -78.3428  169.581  167.385   71.523  180.333   86.104 -12.94748 111.9348 
1 1 1    5   22   14 o  252.707   71.602  175.299   99.634  159.942  116.190  217.964  193.664  242.949   90.912  262.465  110.646 -19.51605 143.2043 
1 1 1    5   22   15 o  280.161   77.132  244.933  113.439  205.177  135.002  340.429  209.237  261.735   97.985  298.588  119.147 -36.85330 154.2630 
1 1 1    5   22   16 o  190.632   61.573   31.027  102.522   66.540  127.408 -34.2066  172.678  196.434   86.281  184.830   87.867 11.60381 123.1468 
1 1 1    5   22   17 o  217.093   69.269   90.057  127.342  235.072  189.075 -30.3295  172.272  252.287  107.947  181.899   86.833 70.38773 138.5370 
1 1 1    5   22   18 o  202.360   64.993   55.105  115.907  218.100  171.834 -80.9683  157.003  241.560  103.121  163.160   79.135 78.39954 129.9858 
1 1 1    5   22   19 o  201.614   62.923   60.963  106.626  246.744  154.025 -109.9943  147.753  251.372  101.549  151.856   74.332 99.51604 125.8468 
1 1 1    5   22   20 o  256.811   76.950  313.201  133.633  310.268  191.631  315.977  186.447  254.721  108.823  258.901  108.823 -4.179901 153.8992 
1 1 1    5   22   21 o  189.090   60.873   80.529   99.476   41.342  141.206  119.139  140.160  177.867   82.945  200.313   89.120 -22.44502 121.7467 
1 1 1    5   22   22 o  208.060   65.452  139.472  106.821  212.237  160.265   81.304  143.292  228.134   98.520  187.987   86.195 40.14737 130.9034 
1 1 1    5   22   23 o  161.465   54.761 -58.8959   91.409  130.592  155.010 -159.9171  113.182  200.151   90.958  122.779   61.007 77.37193 109.5223 
1 1 1    5   22   24 o  200.465   64.669  145.851  111.085  166.285  172.662  131.419  145.103  204.371   94.042  196.560   88.794 7.810760 129.3381 
1 1 1    5   23    0 f  192.624   56.089   66.571   62.665   86.108   68.558 -32.6493  154.500  197.491   70.460  187.756   87.290 9.735321 112.1787 
1 1 1    5   23    1 o  298.433   70.183  239.915   86.934  236.925   96.678  252.545  198.694  309.442   79.604  287.423  115.609 22.01883 140.3652 
1 1 1    5   23    2 o  244.509   66.808  133.941   72.983  127.945   78.668  170.993  195.555  230.749   75.670  258.269  110.125 -27.51933 133.6169 
1 1 1    5   23    3 o  244.210   73.870  128.831  116.793  104.680  139.574  185.240  213.306  225.210   94.382  263.210  113.663 -38.00011 147.7407 
1 1 1    5   23    4 f  266.180   76.113  200.797  121.684  225.483  138.847  119.053  252.665  282.643  100.332  249.717  114.484 32.92671 152.2269 
1 1 1    5   23    5 o  304.656  118.551  308.869  202.632   0.0000   0.0000  308.869  202.632  ?   ?   304.656  118.551      ?      ? 
1 1 1    5   23    6 o  333.725   79.876  361.797  126.795  390.163  159.332  312.812  209.379  364.596  105.783  302.854  119.710 61.74176 159.7511 
1 1 1    5   23    7 o  324.936  123.637  379.918  216.950   0.0000   0.0000  379.918  216.950  ?   ?   324.936  123.637      ?      ? 
1 1 1    5   23    8 o  231.612   67.150  131.521   99.635  173.246  108.962 -81.3655  246.124  254.915   89.017  208.310  100.561 46.60503 134.3003 
1 1 1    5   23    9 o  289.166   78.778  277.056  128.827  302.453  151.096  209.436  246.543  315.316  104.941  263.017  117.521 52.29892 157.5559 
1 1 1    5   23   10 o  230.572  105.644   90.865  214.711   0.0000   0.0000   90.865  214.711  ?   ?   230.572  105.644      ?      ? 
1 1 1    5   23   11 o  177.140   58.943 -17.4490   74.499 -30.9307   81.008   56.472  189.688  138.578   63.999  215.703   99.002 -77.12521 117.8868 
1 1 1    5   23   12 o  156.349   53.565 -52.4938   68.818 -52.5374   74.373 -52.2341  181.476  124.842   58.843  187.856   89.523 -63.01455 107.1301 
1 1 1    5   23   13 o  172.371   56.406  -0.6041   83.590   31.866   93.946 -124.0075  183.146  170.652   74.544  174.089   84.674 -3.436935 112.8116 
1 1 1    5   23   14 o  190.368   60.896   43.277   96.585   82.619  112.226 -69.0908  189.665  197.645   83.823  183.091   88.359 14.55382 121.7927 
1 1 1    5   23   15 o  174.768   56.567  -4.6030   96.121   89.083  111.937 -267.6445  187.563  197.202   83.679  152.334   76.139 44.86821 113.1344 
1 1 1    5   23   16 o  204.521   63.838  107.575   99.551  128.061  119.466   61.024  180.080  211.436   87.856  197.607   92.642 13.82817 127.6762 
1 1 1    5   23   17 o  141.068   47.700 -83.0246   80.250   13.066   96.677 -295.9518  143.912  156.862   71.496  125.274   63.161 31.58811 95.39905 
1 1 1    5   23   18 o  206.409   62.082  116.299   97.512  218.773  129.148 -19.5861  148.719  245.564   94.897  167.253   80.069 78.31094 124.1635 
1 1 1    5   23   19 o  143.526   48.151 -80.3872   80.147   47.808  103.815 -269.5233  126.099  169.980   76.083  117.072   59.038 52.90813 96.30199 
1 1 1    5   23   20 o  152.872   51.752 -45.8122   87.904 -103.1666  120.781   18.781  128.177  137.763   67.385  167.982   78.564 -30.21906 103.5038 
1 1 1    5   23   21 o  161.640   54.292  -6.6106   92.996   11.878  130.889 -25.4576  132.152  165.758   78.109  157.522   75.428 8.235489 108.5835 
1 1 1    5   23   22 o  154.224   52.569 -38.0529   92.058   17.767  142.308 -78.2207  120.718  168.197   79.904  140.251   68.333 27.94617 105.1381 
1 1 1    5   24    0 o  209.833   65.923   63.553  107.247   82.176  135.358   32.143  175.785  211.378   90.912  208.289   95.491 3.089401 131.8467 
1 1 1    5   24    1 o  455.286  106.504  856.676  218.013  678.148  279.563  1133.74  348.271  401.624  142.389  508.948  158.424 -107.3242 213.0088 
1 1 1    5   24    2 o  359.964   92.605  524.414  183.238  654.626  244.110  356.349  277.332  422.264  132.829  297.664  129.071 124.5995 185.2108 
1 1 1    5   24    4 o  363.604   92.242  510.042  166.008  497.945  209.173  530.627  272.865  377.437  123.371  349.771  137.165 27.66592 184.4844 
1 1 1    5   24    5 f  215.967   62.712  102.188   86.380  137.510  117.419   60.524  127.526  232.096   90.264  199.838   87.084 32.25739 125.4242 
1 1 1    5   24    6 o  424.730  104.439  526.446  171.895   0.0000   0.0000  526.446  171.895  ?   ?   424.730  104.439      ?      ? 
1 1 1    5   24    7 o  200.164   60.891   51.148   81.864   4.4254  100.293  144.425  141.707  165.175   74.292  235.153   96.496 -69.97723 121.7817 
1 1 1    5   24    8 o  187.163   56.684   58.104   68.081   70.904   76.853   11.444  146.735  184.929   72.707  189.397   86.982 -4.467575 113.3679 
1 1 1    5   24    9 o  169.619   56.544 -34.6704   80.346 -55.7596   91.812   34.295  166.031  138.342   65.259  200.895   92.360 -62.55362 113.0888 
1 1 1    5   24   10 o  193.034   62.721   35.110   98.916   50.820  112.393 -18.8681  208.329  186.284   81.449  199.784   95.403 -13.50056 125.4423 
1 1 1    5   24   11 o  233.773   69.600  146.084   93.094  134.761  102.425  199.869  223.240  223.229   84.948  244.318  110.274 -21.08957 139.1998 
1 1 1    5   24   12 o  158.313   53.152 -26.0795   78.722   11.548   85.367 -239.9471  203.520  154.331   69.042  162.294   80.832 -7.963043 106.3040 
1 1 1    5   24   13 o  172.171   57.960 -38.9539   79.257 -82.8696   88.300  143.093  179.781  124.833   60.255  219.509   99.029 -94.67541 115.9198 
1 1 1    5   24   14 o  238.709   68.136  205.715  102.970  233.212  121.554  135.844  193.767  263.668   93.847  213.749   98.808 49.91890 136.2727 
1 1 1    5   24   15 o  144.886   48.683 -32.8985   71.598   7.1555   80.585 -183.0344  156.018  145.557   65.925  144.216   71.653 1.341278 97.36665 
1 1 1    5   24   16 o  162.527   53.910   5.4687   76.495  -6.7087   88.971   39.984  149.790  144.548   66.867  180.505   84.582 -35.95775 107.8207 
1 1 1    5   24   17 o  169.481   55.400   26.074   88.219   69.798  107.030 -66.5731  155.799  179.130   78.872  159.832   77.820 19.29842 110.7999 
1 1 1    5   24   18 o  191.614   61.394   93.254   99.325  111.443  126.323   63.798  160.753  196.670   86.161  186.557   87.483 10.11278 122.7885 
1 1 1    5   24   19 o  163.934   54.369   12.500   87.739   13.802  120.199   11.015  128.367  162.947   76.168  164.921   77.604 -1.974548 108.7377 
1 1 1    5   24   20 o  165.592   54.743   24.893   87.898   14.574  129.822   33.627  119.440  164.555   77.617  166.628   77.219 -2.073120 109.4864 
1 1 1    5   24   21 o  187.143   89.536   92.638  185.326   92.638  185.326   0.0000   0.0000  187.143   89.536  ?   ?       ?      ? 
1 1 1    5   25    0 o  267.429   78.918  229.831  145.725  366.672  204.064   87.426  208.170  311.151  119.545  223.707  103.059 87.44460 157.8357 
1 1 1    5   25    1 o  322.153   84.823  374.377  169.549  672.466  240.814   81.359  238.757  417.171  132.014  227.136  106.546 190.0347 169.6454 
1 1 1    5   25    2 f  217.664   70.939   42.291  141.482 -83.8391  191.022  195.563  210.575  184.717   89.024  250.611  110.473 -65.89404 141.8789 
1 1 1    5   25    3 o  318.107   74.444  339.984  110.174  354.716  127.795  297.341  217.428  356.590   91.410  279.624  117.524 76.96570 148.8882 
1 1 1    5   25    4 o  203.472   57.705   96.557   71.501  124.725   83.009   15.576  140.749  220.835   77.664  186.109   85.368 34.72676 115.4093 
1 1 1    5   25    5 o  165.152   53.121 -11.4749   77.773   52.558  107.196 -82.6409  113.009  184.789   80.186  145.514   69.698 39.27544 106.2429 
1 1 1    5   25    6 o  145.142   66.295 -12.9800   83.684   0.0000   0.0000 -12.9800   83.684  ?   ?   145.142   66.295      ?      ? 
1 1 1    5   25    7 o  178.480   55.472   14.758   79.470 -80.7072  110.085  118.648  114.840  142.906   68.539  214.054   87.241 -71.14799 110.9436 
1 1 1    5   25    8 o  339.592  129.568  544.280  238.675   0.0000   0.0000  544.280  238.675  ?   ?   339.592  129.568      ?      ? 
1 1 1    5   25    9 o  195.001   61.401 -42.8780   88.838 -164.5955  104.298  278.838  169.566  120.480   59.636  269.522  107.350 -149.0421 122.8027 
1 1 1    5   25   10 o  201.599   65.306   70.399  105.870   20.976  126.644  185.081  192.918  174.239   80.311  228.958  103.003 -54.71938 130.6121 
1 1 1    5   25   11 o  228.956   67.304  177.228   97.444  179.831  114.780  170.510  184.394  235.979   89.896  221.934  100.191 14.04514 134.6090 
1 1 1    5   25   12 o  178.514   55.122   64.211   73.740   92.486   86.914  -8.4338  139.312  189.157   76.329  167.871   79.548 21.28569 110.2449 
1 1 1    5   25   13 o  151.600   50.061  -3.5357   68.348   2.9039   80.962 -19.5074  127.506  143.503   65.415  159.696   75.798 -16.19330 100.1223 
1 1 1    5   25   14 o  153.461   50.815  -1.5869   71.848   15.837   83.564 -50.9861  140.705  149.541   67.484  157.381   75.989 -7.839996 101.6293 
1 1 1    5   25   15 o  152.977   51.654 -18.0151   75.389 -12.7362   85.718 -36.0444  158.412  140.037   65.076  165.916   80.235 -25.87849 103.3080 
1 1 1    5   25   16 o  152.986   51.350 -11.8570   76.062   4.7655   87.157 -64.9589  155.780  146.594   67.219  159.377   77.646 -12.78285 102.6994 
1 1 1    5   25   17 o  162.167   52.937   23.925   77.637   49.965   92.720 -37.1588  142.008  165.714   73.164  158.620   76.526 7.093506 105.8734 
1 1 1    5   25   18 o  187.535   58.958   96.127   83.958   92.266  102.423  104.034  146.580  184.080   79.125  190.991   87.427 -6.911377 117.9161 
1 1 1    5   25   19 o  226.017   67.419  223.229  105.704  260.201  137.533  169.870  165.225  247.133   97.232  204.901   93.421 42.23196 134.8389 
1 1 1    5   26    0 o  253.021   78.520  261.561  149.436  206.281  207.100  321.605  215.839  237.612  106.825  268.430  115.107 -30.81795 157.0393 
1 1 1    5   26    1 o  287.372   74.578  322.275  116.631  339.185  133.016  266.039  242.572  326.604   97.174  248.141  113.159 78.46310 149.1566 
1 1 1    5   26    2 o  205.471   68.367   68.077  141.064   22.001  196.866  116.698  202.230  195.530   93.197  215.411  100.054 -19.88144 136.7348 
1 1 1    5   26    3 o  181.062   56.169   59.095   74.093   84.849   82.814 -44.2199  165.872  188.079   74.987  174.046   83.647 14.03314 112.3383 
1 1 1    5   26    4 o  226.328   61.755  159.699   82.750  192.710   97.122   72.259  158.068  255.456   84.093  197.201   90.460 58.25549 123.5099 
1 1 1    5   26    5 o  222.395   62.884  150.582   80.699  156.428   93.541  133.569  159.582  231.081   82.317  213.709   95.087 17.37143 125.7684 
1 1 1    5   26    6 f  140.805   66.906 -48.0196   99.883   0.0000   0.0000 -48.0196   99.883  ?   ?   140.805   66.906      ?      ? 
1 1 1    5   26    7 f  167.405   54.922 -25.9950   84.108 -115.7246  106.864  120.068  136.344  129.332   63.288  205.478   89.779 -76.14629 109.8434 
1 1 1    5   26    8 o  181.080   54.872   71.352   73.464  110.511   82.481 -78.9512  161.592  200.151   76.215  162.009   78.961 38.14249 109.7434 
1 1 1    5   26    9 o  207.021   65.461  126.195  104.393   98.469  129.802  176.973  175.658  194.802   86.258  219.240   98.490 -24.43764 130.9230 
1 1 1    5   26   10 o  190.148   57.363   85.909   85.977  155.549  101.259 -94.0092  162.758  221.863   84.455  158.432   77.649 63.43172 114.7261 
1 1 1    5   26   11 o  165.113   54.049   11.181   86.284   69.697  107.130 -96.8674  145.574  179.274   78.922  150.952   73.867 28.32205 108.0972 
1 1 1    5   26   12 o  169.001   55.000   35.003   78.209   38.530   91.815   25.677  149.295  162.074   72.118  175.928   83.059 -13.85393 109.9994 
1 1 1    5   26   13 o  148.140   50.162 -28.7442   71.534 -34.2039   82.507 -12.2147  143.560  130.817   61.757  165.464   79.065 -34.64677 100.3249 
1 1 1    5   26   14 o  187.468   79.059   95.156   98.934   95.156   98.934   0.0000   0.0000  187.468   79.059  ?   ?       ?      ? 
1 1 1    5   26   15 o  244.772   91.610  218.615  117.992  218.615  117.992   0.0000   0.0000  244.772   91.610  ?   ?       ?      ? 
1 1 1    5   26   16 o  125.533   59.750 -41.0386   80.328 -41.0386   80.328   0.0000   0.0000  125.533   59.750  ?   ?       ?      ? 
1 1 1    5   27    0 o  215.222   67.564  152.999  111.436  218.382  174.305  107.802  144.921  231.514  101.323  198.930   89.405 32.58325 135.1282 
1 1 1    5   27    1 o  287.823   66.149  320.680  110.017  454.524  138.496   91.785  181.116  377.715   94.261  197.932   92.831 179.7827 132.2979 
1 1 1    5   27    2 f  262.338   79.908  356.177  148.150  374.742  216.731  339.894  202.977  264.591  114.415  260.086  111.579 4.505219 159.8151 
1 1 1    5   27    3 o  276.326   67.278  308.958  110.289  402.942  133.486  106.794  195.776  350.948   95.099  201.703   95.193 149.2454 134.5566 
1 1 1    5   27    4 o  171.805   57.808   2.0066  105.972   2.0412  144.069   1.9659  156.428  170.039   80.667  173.570   82.825 -3.531647 115.6169 
1 1 1    5   27    5 o  225.079   71.422  183.286  128.150   80.286  164.917  340.264  203.595  192.264   89.652  257.893  111.207 -65.62971 142.8443 
1 1 1    5   27    6 o  187.497   62.257 -20.4927  105.800 -154.6591  127.820  271.447  188.549  133.247   65.967  241.746  105.602 -108.4991 124.5133 
1 1 1    5   27    7 o  163.531   56.128 -106.1429   94.088 -217.6919  112.018  161.077  173.376  114.811   57.595  212.252   96.356 -97.44132 112.2569 
1 1 1    5   27    8 o  190.960   57.607   98.759   80.465  134.851   89.409 -55.0558  184.576  211.761   79.649  170.160   83.247 41.60094 115.2130 
1 1 1    5   27    9 o  206.312   67.100  130.475  114.552  100.253  134.645  209.680  217.970  193.259   86.565  219.364  102.549 -26.10519 134.2004 
1 1 1    5   27   10 o  159.679   55.565 -83.4784  111.637 -111.8225  136.231 -25.5325  194.785  143.484   70.467  175.873   85.931 -32.38931 111.1297 
1 1 1    5   27   11 o  175.897   60.501  -9.0047  132.261 -22.3679  185.021   4.9598  189.138  173.327   84.481  178.467   86.628 -5.140717 121.0016 
1 1 1    5   27   12 f  186.755   63.234   55.547  131.887 -26.0996  184.043  141.735  189.093  171.306   83.663  202.204   94.841 -30.89848 126.4682 
1 1 1    5   27   13 o  184.533   62.924   44.526  134.351  163.640  199.131 -54.9978  182.021  204.012   96.198  165.055   81.141 38.95639 125.8486 
1 1 1    5   27   14 o  194.323   94.474  127.078  227.334  127.078  227.334   0.0000   0.0000  194.323   94.474  ?   ?       ?      ? 
1 1 1    5   28    0 o  180.073   60.487   33.680  113.738   46.890  177.752   24.522  148.004  185.399   88.420  174.748   82.562 10.65150 120.9736 
1 1 1    5   28    1 o  212.069   68.427  158.184  131.261   45.290  196.800  248.650  176.170  187.882   90.502  236.256  102.658 -48.37366 136.8548 
1 1 1    5   28    2 o  172.396   58.130 -59.9048  113.216 -265.1373  157.078  161.982  163.327  132.998   66.919  211.795   95.070 -78.79678 116.2602 
1 1 1    5   28    3 o  177.714   59.996   20.897  117.030   52.512  153.142 -23.4843  181.445  182.050   85.375  173.379   84.317 8.670700 119.9929 
1 1 1    5   28    4 o  287.875   89.587  607.115  193.358  540.215  251.207  704.371  302.884  284.480  123.098  291.269  130.194 -6.789307 179.1744 
1 1 1    5   28    5 o  206.898  100.594  155.574  257.867   0.0000   0.0000  155.574  257.867  ?   ?   206.898  100.594      ?      ? 
1 1 1    5   28    6 o  143.774   70.183 -87.7717  129.073 -87.7717  129.073   0.0000   0.0000  143.774   70.183  ?   ?       ?      ? 
1 1 1    5   28    7 o  175.853   61.719 -111.3045  123.522 -253.9772  144.835  269.295  236.558  127.550   64.188  224.155  105.437 -96.60564 123.4384 
1 1 1    5   28    8 o  201.991   68.187   98.181  132.387  -5.8206  157.391  349.745  244.785  167.996   80.926  235.986  109.766 -67.99016 136.3732 
1 1 1    5   28    9 o  225.446   68.441  229.968  117.242  253.080  129.646  126.227  274.674  252.712   95.715  198.179   97.853 54.53342 136.8812 
1 1 1    5   28   10 o  220.647  107.547  357.940  299.879   0.0000   0.0000  357.940  299.879  ?   ?   220.647  107.547      ?      ? 
1 1 1    5   29    0 o  190.171   63.378   99.918  118.781   86.663  147.965  123.942  199.200  184.859   85.767  195.483   93.333 -10.62398 126.7553 
1 1 1    5   29    1 o  163.267   57.006 -70.6972  130.734 -93.9553  176.261 -42.2555  194.916  157.555   77.905  168.980   83.243 -11.42435 114.0115 
1 1 1    5   29    2 o  333.365  112.200  501.179  172.693  501.179  172.693   0.0000   0.0000  333.365  112.200  ?   ?       ?      ? 
1 1 1    5   29    3 o  236.586  112.625  451.806  285.613   0.0000   0.0000  451.806  285.613  ?   ?   236.586  112.625      ?      ? 
1 1 1    5   29    4 o  210.417  103.367  273.851  293.750   0.0000   0.0000  273.851  293.750  ?   ?   210.417  103.367      ?      ? 
1 1 1    6    0    0 o  284.476   16.219  161.226   25.083  161.226   25.083  161.226   25.083  284.476   22.937  284.476   22.937 0.000000 0.000000 
1 1 1    6    0    1 o  1279.54   30.208  3224.31  212.776  3224.31  212.776  3224.31  212.776  1279.54   42.720  1279.54   42.720 0.000000 0.000000 
1 1 1    6    0    2 o  398.838   16.957  314.323   37.016  314.323   37.016  314.323   37.016  398.838   23.981  398.838   23.981 0.000000 0.000000 
1 1 1    6    0    3 o  1518.81   34.669  4552.29  289.916  4552.29  289.916  4552.29  289.916  1518.81   49.030  1518.81   49.030 -0.000000 0.000000 
1 1 1    6    0    4 o  1165.64   40.264  2700.91  257.607  2700.91  257.607  2700.91  257.607  1165.64   56.942  1165.64   56.942 0.000000 0.000000 
1 1 1    6    0    5 o  752.367   30.116  1122.67  124.129  1122.67  124.129  1122.67  124.129  752.367   42.590  752.367   42.590 -0.000000 0.000000 
1 1 1    6    0    6 o  630.401   25.386  787.033   87.666  787.033   87.666  787.033   87.666  630.401   35.902  630.401   35.902 0.000000 0.000000 
1 1 1    6    0    7 o  597.507   91.643  828.990  264.924  828.990  264.924  828.990  264.924  597.507  129.603  597.507  129.603 -0.000000 0.000000 
1 1 1    6    0    8 o   79.352   32.653   15.049   23.576   15.049   23.576   15.049   23.576   79.352   46.178   79.352   46.178 -0.000000 0.000000 
1 1 1    6    0    9 o  963.954   35.474  1856.33  187.552  1856.33  187.552  1856.33  187.552  963.954   50.168  963.954   50.168 0.000000 0.000000 
1 1 1    6    0   11 o  102.861   22.249   25.823   11.037   25.823   11.037   25.823   11.037  102.861   31.465  102.861   31.465 0.000000 0.000000 
1 1 1    6    0   12 o  282.878   16.357  159.985   25.143  159.985   25.143  159.985   25.143  282.878   23.132  282.878   23.132 0.000000 0.000000 
1 1 1    6    0   13 o  582.273   19.166  669.803   61.286  669.803   61.286  669.803   61.286  582.273   27.105  582.273   27.105 -0.000000 0.000000 
1 1 1    6    0   14 o  1010.02   25.642  2016.41  142.515  2016.41  142.515  2016.41  142.515  1010.02   36.264  1010.02   36.264 -0.000000 0.000000 
1 1 1    6    0   15 o  529.377   18.628  553.165   54.114  553.165   54.114  553.165   54.114  529.377   26.343  529.377   26.343 0.000000 0.000000 
1 1 1    6    0   16 o  240.365   17.599  116.685   22.772  116.685   22.772  116.685   22.772  240.365   24.888  240.365   24.888 -0.000000 0.000000 
1 1 1    6    0   17 o  702.307   30.040  981.700  115.458  981.700  115.458  981.700  115.458  702.307   42.483  702.307   42.483 0.000000 0.000000 
1 1 1    6    0   18 o  519.993   18.709  533.500   53.372  533.500   53.372  533.500   53.372  519.993   26.458  519.993   26.458 0.000000 0.000000 
1 1 1    6    0   19 o  1077.77   26.829  2291.41  159.133  2291.41  159.133  2291.41  159.133  1077.77   37.942  1077.77   37.942 0.000000 0.000000 
1 1 1    6    0   20 o  349.743   18.181  243.354   34.656  243.354   34.656  243.354   34.656  349.743   25.711  349.743   25.711 0.000000 0.000000 
1 1 1    6    0   21 o  1108.10   27.450  2425.53  167.399  2425.53  167.399  2425.53  167.399  1108.10   38.820  1108.10   38.820 -0.000000 0.000000 
1 1 1    6    0   22 o  239.009   25.206  119.419   31.070  119.419   31.070  119.419   31.070  239.009   35.646  239.009   35.646 -0.000000 0.000000 
1 1 1    6    0   23 o  336.538   18.456  225.902   33.804  225.902   33.804  225.902   33.804  336.538   26.101  336.538   26.101 -0.000000 0.000000 
1 1 1    6    0   24 o  260.879   20.010  138.137   27.951  138.137   27.951  138.137   27.951  260.879   28.299  260.879   28.299 -0.000000 0.000000 
1 1 1    6    0   25 o  761.467   22.341  1146.62   93.520  1146.62   93.520  1146.62   93.520  761.467   31.596  761.467   31.596 0.000000 0.000000 
1 1 1    6    0   26 o  729.174   22.077  1053.53   88.471  1053.53   88.471  1053.53   88.471  729.174   31.221  729.174   31.221 0.000000 0.000000 
1 1 1    6    0   27 o  547.505   20.174  595.662   60.579  595.662   60.579  595.662   60.579  547.505   28.530  547.505   28.530 0.000000 0.000000 
1 1 1    6    0   28 o  223.236   23.193  104.781   26.766  104.781   26.766  104.781   26.766  223.236   32.799  223.236   32.799 0.000000 0.000000 
1 1 1    6    0   29 o  718.297   34.326  1063.38  134.645  1063.38  134.645  1063.38  134.645  718.297   48.544  718.297   48.544 0.000000 0.000000 
1 1 1    6    0   30 o  304.064   21.925  189.316   35.915  189.316   35.915  189.316   35.915  304.064   31.006  304.064   31.006 0.000000 0.000000 
1 1 1    6    0   31 o  386.072   21.627  302.066   45.414  302.066   45.414  302.066   45.414  386.072   30.585  386.072   30.585 0.000000 0.000000 
1 1 1    6    0   32 o  313.968   23.155  203.500   39.123  203.500   39.123  203.500   39.123  313.968   32.746  313.968   32.746 0.000000 0.000000 
1 1 1    6    0   33 o  207.313   66.734  148.444   82.776  148.444   82.776  148.444   82.776  207.313   94.376  207.313   94.376 -0.000000 0.000000 
1 1 1    6    0   34 o  286.621   26.509  175.270   39.946  175.270   39.946  175.270   39.946  286.621   37.490  286.621   37.490 -0.000000 0.000000 
1 1 1    6    0   35 o   41.491   19.778  -5.2436   13.078  -5.2436   13.078  -5.2436   13.078   41.491   27.970   41.491   27.970 -0.000000 0.000000 
1 1 1    6    0   36 o  279.841   27.067  168.682   39.585  168.682   39.585  168.682   39.585  279.841   38.279  279.841   38.279 0.000000 0.000000 
1 1 1    6    1    0 o  635.904   19.603  792.565   48.631  812.810   69.794  773.461   67.798  643.786   27.781  628.022   27.664 15.76343 39.20536 
1 1 1    6    1    1 o  1412.55   33.013  3945.74  181.836  4040.32  263.471  3859.72  251.272  1428.45   47.265  1396.65   46.103 31.79578 66.02579 
1 1 1    6    1    2 o  220.587   15.120   95.247   13.006   99.987   18.487   90.602   18.300  226.034   20.959  215.139   21.797 10.89505 30.23921 
1 1 1    6    1    3 o  1551.41   41.015  4848.46  245.876  5241.65  334.911  4388.78  362.124  1623.25   52.870  1479.57   62.718 143.6750 82.02912 
1 1 1    6    1    4 o  611.234   59.404  920.958   94.703  1002.35  105.144  571.115  217.988  713.010   37.788  509.457  112.639 203.5533 118.8084 
1 1 1    6    1    5 o  1472.23   46.883  4282.65  262.265  4772.30  431.120  3994.99  330.441  1533.21   72.055  1411.24   60.001 121.9762 93.76614 
1 1 1    6    1    6 o  487.452   52.315  595.891   70.074  666.182   79.076  338.826  151.223  581.341   34.857  393.563   98.653 187.7787 104.6297 
1 1 1    6    1    9 o  928.730   48.984  1734.97  177.530  1734.97  177.530   0.0000   0.0000  928.730   48.984  ?   ?       ?      ? 
1 1 1    6    1   10 o  368.565   23.363  266.662   33.274  219.260   44.795  325.012   49.699  332.125   34.562  405.004   31.445 -72.87869 46.72580 
1 1 1    6    1   11 o  423.844   24.231  354.194   40.078  354.194   40.078   0.0000   0.0000  423.844   24.231  ?   ?       ?      ? 
1 1 1    6    1   12 o  641.182   24.379  798.621   56.513  765.580   67.547  875.706  103.173  622.014   27.828  660.349   40.037 -38.33527 48.75781 
1 1 1    6    1   13 o  599.629   19.307  709.846   45.167  697.268   63.021  723.129   64.766  594.203   27.178  605.055   27.430 -10.85150 38.61395 
1 1 1    6    1   14 o  712.713   20.979  1000.43   58.266  1063.21   85.098  945.016   79.945  733.689   29.722  691.737   29.615 41.95245 41.95783 
1 1 1    6    1   15 o  362.083   16.780  257.007   23.637  286.631   34.247  230.056   32.665  382.044   22.971  342.122   24.467 39.92191 33.55986 
1 1 1    6    1   16 o  344.029   21.141  242.473   26.854  200.659   43.567  268.094   34.103  318.526   35.050  369.532   23.649 -51.00607 42.28185 
1 1 1    6    1   17 o  298.255   24.069  190.741   24.537  212.540   29.521  142.027   44.131  329.153   22.983  267.356   42.298 61.79648 48.13872 
1 1 1    6    1   18 o  364.884   17.528  261.631   24.921  266.716   34.512  256.091   36.024  368.662   23.989  361.105   25.564 7.557617 35.05690 
1 1 1    6    1   19 o  655.284   20.295  842.098   51.812  903.223   75.791  788.471   70.990  677.541   28.665  633.026   28.737 44.51471 40.58950 
1 1 1    6    1   20 o  592.739   19.709  691.468   45.575  711.020   64.442  671.903   64.464  601.195   27.468  584.282   28.273 16.91284 39.41848 
1 1 1    6    1   21 o  710.062   25.639  996.038   67.089  990.325   82.250  1007.40  115.968  708.781   29.737  711.342   41.776 -2.560303 51.27856 
1 1 1    6    1   22 o  591.511   23.980  698.521   53.127  669.629   87.486  715.399   66.868  580.507   38.619  602.515   28.439 -22.00769 47.96067 
1 1 1    6    1   23 o  636.559   20.545  799.473   51.016  826.520   72.252  772.582   72.043  647.405   28.599  625.713   29.504 21.69263 41.09002 
1 1 1    6    1   24 o  301.064   19.309  177.417   22.596  163.348   30.373  194.853   33.814  287.829   27.041  314.298   27.569 -26.46930 38.61716 
1 1 1    6    1   25 o  456.287   19.833  413.347   35.158  438.959   48.567  385.148   50.961  471.542   26.393  441.032   29.610 30.50986 39.66549 
1 1 1    6    1   26 o  476.068   19.910  450.250   36.861  459.137   50.383  440.013   54.070  481.492   26.814  470.644   29.440 10.84763 39.82061 
1 1 1    6    1   27 f  473.512   20.257  448.925   37.177  504.399   52.330  392.397   52.825  503.865   26.614  443.159   30.546 60.70554 40.51352 
1 1 1    6    1   28 o  292.875   20.117  171.331   22.939  167.207   31.250  176.148   33.778  289.255   27.684  296.495   29.194 -7.240540 40.23312 
1 1 1    6    1   29 o  282.352   47.121  180.127   48.550  167.231   58.882  207.513   85.808  272.855   57.131  291.849   74.951 -18.99387 94.24213 
1 1 1    6    1   30 o  277.524   41.693  164.309   31.304  160.680   33.573  188.469   86.622  281.677   30.543  273.371   77.591 8.306000 83.38560 
1 1 1    6    1   31 o  391.124   21.952  311.842   33.420  329.380   46.659  293.364   47.893  403.137   29.658  379.110   32.372 24.02710 43.90413 
1 1 1    6    1   32 o  630.415   33.402  819.348   82.173   0.0000   0.0000  819.348   82.173  ?   ?   630.415   33.402      ?      ? 
1 1 1    6    1   33 o  486.690   22.441  491.121   42.537  502.454   58.831  478.707   61.576  493.621   30.541  479.759   32.890 13.86215 44.88284 
1 1 1    6    1   34 o  233.234   25.666  115.683   23.287  114.969   34.195  116.301   31.801  231.747   37.810  234.722   34.718 -2.974274 51.33164 
1 1 1    6    1   35 o  306.339   22.192  195.731   26.411  173.154   36.831  219.628   37.892  287.200   32.862  325.479   29.833 -38.27875 44.38402 
1 1 1    6    1   36 o  331.017   24.450  224.467   30.971  281.433   50.110  189.259   39.396  363.125   35.362  298.909   33.773 64.21567 48.89923 
1 1 1    6    2    0 o  665.847   23.279  888.718   59.040  973.430   77.978  774.924   90.377  704.395   28.368  627.299   36.919 77.09521 46.55888 
1 1 1    6    2    1 o  932.871   28.491  1736.49  100.966  1811.26  130.440  1624.73  159.470  959.502   34.836  906.241   45.092 53.26025 56.98156 
1 1 1    6    2    2 o  634.719   26.002  792.706   64.372  820.835   92.790  766.607   89.378  645.554   36.833  623.885   36.711 21.66907 52.00323 
1 1 1    6    2    3 o  830.485   31.599  1356.20  101.910  1453.10  153.570  1279.95  136.229  856.482   45.947  804.488   43.393 51.99371 63.19870 
1 1 1    6    2    4 o  278.802   20.706  152.525   22.505  162.636   32.290  142.975   31.382  287.812   28.749  269.793   29.807 18.01913 41.41260 
1 1 1    6    2    5 o  851.474   61.192  1190.80  115.512  1131.83  120.002  1934.91  426.312  756.609   40.643  946.340  115.438 -189.7311 122.3836 
1 1 1    6    2    6 o  625.150   80.148  856.443  191.262  932.362  276.365  786.659  264.965  658.634  107.524  591.666  118.883 66.96790 160.2955 
1 1 1    6    2    7 o  138.408   50.438   31.666   35.356   0.0000   0.0000   31.666   35.356  ?   ?   138.408   50.438      ?      ? 
1 1 1    6    2    8 o  594.926   77.787  786.480  175.879  656.787  238.217  941.894  260.770  532.316  117.793  657.536  101.627 -125.2195 155.5738 
1 1 1    6    2    9 o  164.587   40.102   50.018   31.757   34.762   45.042   65.099   44.783  149.669   56.482  179.506   56.942 -29.83676 80.20360 
1 1 1    6    2   10 o  705.030   65.450  1027.58   81.601  1016.62   84.183  1198.15  332.060  716.553   30.105  693.507  127.392 23.04620 130.9006 
1 1 1    6    2   11 o  650.485   60.741  840.836   69.954  827.487   72.075  1057.67  290.489  646.458   28.570  654.513  118.076 -8.054688 121.4828 
1 1 1    6    2   12 o  797.612   68.802  1258.13   94.196  1236.02   96.639  1678.82  421.553  788.932   31.389  806.292  133.976 -17.36005 137.6044 
1 1 1    6    2   13 o  515.240   22.198  522.544   42.084  515.409   51.415  537.027   73.253  511.250   25.771  519.230   36.152 -7.979950 44.39697 
1 1 1    6    2   14 o  718.756   25.829  978.853   65.913  917.256   77.355  1142.10  125.930  681.737   29.076  755.775   42.698 -74.03809 51.65780 
1 1 1    6    2   15 o  345.327   23.829  234.270   32.112   0.0000   0.0000  234.270   32.112  ?   ?   345.327   23.829      ?      ? 
1 1 1    6    2   16 o  438.499   17.634  377.736   30.159  377.991   41.997  377.464   43.339  438.699   24.531  438.298   25.338 0.4017029 35.26744 
1 1 1    6    2   17 o  422.154   22.904  365.403   34.724  391.236   42.510  313.609   60.194  446.433   24.401  397.875   38.768 48.55789 45.80785 
1 1 1    6    2   18 o  611.972   19.698  736.305   47.030  732.211   65.666  740.616   67.387  610.273   27.573  613.670   28.139 -3.396729 39.39647 
1 1 1    6    2   19 o  294.052   17.679  166.475   20.071  147.206   26.170  194.003   31.279  273.830   24.490  314.275   25.504 -40.44547 35.35862 
1 1 1    6    2   20 o  602.764   20.430  701.150   47.452  879.338   72.605  568.288   62.695  668.482   27.832  537.046   29.915 131.4352 40.85985 
1 1 1    6    2   21 o  618.246   24.000  749.652   54.575  737.434   66.601  774.622   95.214  611.982   27.887  624.510   39.069 -12.52863 48.00077 
1 1 1    6    2   22 o  602.657   29.617  716.378   69.654   0.0000   0.0000  716.378   69.654  ?   ?   602.657   29.617      ?      ? 
1 1 1    6    2   23 o  560.670   19.991  619.112   43.559  612.468   58.842  627.167   64.791  557.594   27.042  563.747   29.451 -6.153137 39.98269 
1 1 1    6    2   24 o  466.338   20.737  434.190   37.117  459.427   49.179  400.785   56.579  482.852   26.099  449.825   32.231 33.02637 41.47350 
1 1 1    6    2   25 o  549.662   30.896  599.214   66.273   0.0000   0.0000  599.214   66.273  ?   ?   549.662   30.896      ?      ? 
1 1 1    6    2   26 o  823.098   34.912  1356.10  112.139   0.0000   0.0000  1356.10  112.139  ?   ?   823.098   34.912      ?      ? 
1 1 1    6    2   27 o  497.739   20.629  495.299   39.652  502.470   52.673  485.920   60.237  502.737   26.848  492.740   31.327 9.996796 41.25768 
1 1 1    6    2   28 o  394.179   25.520  316.446   38.082  313.141   61.518  318.500   48.489  390.520   40.367  397.837   31.233 -7.317200 51.03904 
1 1 1    6    2   29 o  207.813   42.482  107.709   26.039  113.010   26.743   11.048  114.196  236.977   28.918  178.649   79.892 58.32761 84.96450 
1 1 1    6    2   30 o  409.487   47.245  399.365   45.222  403.828   48.254  367.160  129.614  448.020   27.600  370.953   90.370 77.06750 94.49087 
1 1 1    6    2   31 o  241.158   22.330  118.504   21.012  118.999   29.527  117.996   29.907  241.759   31.298  240.557   31.858 1.201874 44.65971 
1 1 1    6    2   32 o  437.907   28.719  368.852   44.851  503.997   87.026  319.972   52.338  482.438   46.225  393.375   34.094 89.06201 57.43795 
1 1 1    6    2   33 o  158.800   27.389   56.580   16.975   45.111   25.186   66.127   22.979  142.489   42.259  175.112   34.853 -32.62271 54.77703 
1 1 1    6    2   34 f  183.865   35.990   73.680   24.899   0.0000   0.0000   73.680   24.899  ?   ?   183.865   35.990      ?      ? 
1 1 1    6    2   35 o  153.582   28.487   52.841   17.080   54.241   26.803   51.885   22.162  154.255   42.944  152.909   37.440 1.345490 56.97318 
1 1 1    6    2   36 f  388.517   31.489  316.576   47.742   0.0000   0.0000  316.576   47.742  ?   ?   388.517   31.489      ?      ? 
1 1 1    6    3    0 o  515.897   22.933  522.664   46.145  542.380   66.520  504.375   64.067  525.263   32.452  506.531   32.412 18.73203 45.86561 
1 1 1    6    3    1 o  722.448   27.752  1029.67   78.239  1033.92  110.897  1025.45  110.397  723.931   39.255  720.964   39.239 2.967041 55.50306 
1 1 1    6    3    2 o  835.545   30.181  1374.64   98.158  1462.35  145.284  1300.98  133.143  859.801   43.300  811.289   42.054 48.51147 60.36104 
1 1 1    6    3    3 o  643.913   60.963  859.969   91.107  859.157   96.615  866.482  273.744  660.053   37.509  627.773  116.014 32.27936 121.9268 
1 1 1    6    3    4 o  755.706   59.935  951.351   98.539  909.781  102.258  1491.84  368.728  678.808   38.603  832.605  113.484 -153.7969 119.8701 
1 1 1    6    3    5 o  474.508   62.156  461.159  110.829  318.321  145.262  660.123  171.442  381.705   97.246  567.311   77.440 -185.6062 124.3126 
1 1 1    6    3    6 o  243.400   45.984  121.572   45.841   80.380   62.730  168.778   67.154  202.976   67.620  283.824   62.336 -80.84874 91.96858 
1 1 1    6    3    7 o  170.326   37.076   54.350   25.958   74.098   45.036   44.525   31.766  190.160   56.536  150.493   47.981 39.66692 74.15142 
1 1 1    6    3    8 o  391.906   59.771  312.747   91.412  312.747   91.412   0.0000   0.0000  391.906   59.771  ?   ?       ?      ? 
1 1 1    6    3    9 o  281.760   53.966  173.112   61.428  140.249   85.511  208.154   88.300  254.855   78.364  308.665   74.218 -53.81003 107.9320 
1 1 1    6    3   10 o  580.472   61.814  861.588   94.720  929.699  105.238  571.025  217.360  681.174   39.590  479.771  117.118 201.4030 123.6286 
1 1 1    6    3   11 o  484.355   54.429  608.867   71.652  671.614   80.321  364.356  158.557  580.028   35.485  388.683  102.912 191.3452 108.8584 
1 1 1    6    3   12 o  479.169   54.281  597.334   54.022  623.206   57.137  379.306  165.867  561.820   26.061  396.518  105.387 165.3015 108.5620 
1 1 1    6    3   13 o  570.450   57.105  633.627   78.035  613.320   82.635  800.958  237.209  554.578   38.183  586.323  107.639 -31.74451 114.2106 
1 1 1    6    3   14 o  380.876   47.942  307.296   47.932  308.339   51.719  300.947  127.612  394.612   33.585  367.139   89.810 27.47321 95.88400 
1 1 1    6    3   15 o  477.469   48.758  442.705   45.122  437.276   46.777  515.411  171.183  471.623   25.416  483.315   94.146 -11.69183 97.51597 
1 1 1    6    3   16 o  478.723   25.243  450.214   47.158  450.214   47.158   0.0000   0.0000  478.723   25.243  ?   ?       ?      ? 
1 1 1    6    3   17 o  526.966   26.004  545.536   53.476  545.536   53.476   0.0000   0.0000  526.966   26.004  ?   ?       ?      ? 
1 1 1    6    3   18 o  859.510   23.198  1452.76   77.652  1394.16  105.795  1521.20  114.334  840.932   32.238  878.088   33.366 -37.15643 46.39614 
1 1 1    6    3   19 o  348.385   18.992  242.159   25.264  297.956   35.629  185.727   35.831  389.666   23.430  307.103   29.898 82.56320 37.98484 
1 1 1    6    3   20 o  428.015   21.140  358.473   33.588  352.890   41.389  369.240   57.479  423.800   25.026  432.231   34.077 -8.430786 42.27948 
1 1 1    6    3   21 o  696.651   21.233  953.214   57.544  910.926   77.753  1004.43   85.566  679.811   29.309  713.490   30.731 -33.67914 42.46677 
1 1 1    6    3   22 o  732.283   31.796  1059.55   90.864   0.0000   0.0000  1059.55   90.864  ?   ?   732.283   31.796      ?      ? 
1 1 1    6    3   23 o  439.405   19.308  382.840   32.820  438.241   46.261  326.699   46.569  471.944   25.119  406.866   29.330 65.07764 38.61609 
1 1 1    6    3   24 o  655.530   21.424  841.255   54.241  793.211   70.974  908.714   84.101  633.714   28.700  677.346   31.817 -43.63171 42.84842 
1 1 1    6    3   25 o  274.483   20.396  147.979   21.627  141.151   28.369  157.453   33.419  267.206   27.206  281.760   30.393 -14.55399 40.79163 
1 1 1    6    3   26 o  460.389   20.657  416.948   36.310  401.070   46.372  442.109   58.376  449.951   26.410  470.828   31.772 -20.87720 41.31478 
1 1 1    6    3   27 o  524.612   31.678  551.584   64.853   0.0000   0.0000  551.584   64.853  ?   ?   524.612   31.678      ?      ? 
1 1 1    6    3   29 o  203.183   47.246   70.524   22.696   68.405   23.175  120.212  112.213  180.646   34.125  225.720   88.114 -45.07422 94.49112 
1 1 1    6    3   30 o  170.766   45.403   48.283   21.367   48.154   21.757   51.773  113.393  150.031   37.315  191.500   82.784 -41.46870 90.80573 
1 1 1    6    3   31 o  335.983   20.947  229.445   27.275  233.497   36.713  224.456   40.747  340.119   27.660  331.848   31.465 8.271057 41.89399 
1 1 1    6    3   32 o  296.498   22.304  176.835   25.518  156.092   33.205  206.760   39.883  276.025   30.826  316.972   32.243 -40.94675 44.60798 
1 1 1    6    3   33 o  237.732   33.222  117.902   30.821  117.902   30.821   0.0000   0.0000  237.732   33.222  ?   ?       ?      ? 
1 1 1    6    3   34 o  291.575   32.941  178.236   37.482   0.0000   0.0000  178.236   37.482  ?   ?   291.575   32.941      ?      ? 
1 1 1    6    3   35 o  142.233   28.677   44.927   16.201   46.644   27.438   44.008   20.074  143.323   44.442  141.143   36.255 2.179794 57.35439 
1 1 1    6    3   36 o  363.569   32.889  279.201   46.663  279.201   46.663   0.0000   0.0000  363.569   32.889  ?   ?       ?      ? 
1 1 1    6    4    0 o  394.503   21.351  305.765   32.788  305.237   44.799  306.376   48.119  394.232   29.119  394.774   31.235 -0.5419922 42.70281 
1 1 1    6    4    1 o  226.798   36.727  102.957   24.201  102.878   26.159  103.426   63.745  228.859   29.290  224.738   67.362 4.121063 73.45475 
1 1 1    6    4    2 o  561.370   54.101  621.819   72.211  613.384   76.565  689.722  217.233  557.951   35.164  564.788  102.330 -6.836853 108.2029 
1 1 1    6    4    3 o  332.830   58.904  236.865   76.347  227.967  107.491  245.924  108.458  326.434   83.918  339.226   82.682 -12.79160 117.8073 
1 1 1    6    4    4 o  274.029   49.429  155.954   54.182  108.938   74.150  209.816   79.366  231.613   73.250  316.446   66.387 -84.83351 98.85790 
1 1 1    6    4    5 o  595.879   53.815  633.192  113.561  514.843  131.205  986.593  226.727  503.264   66.807  688.494   84.386 -185.2306 107.6297 
1 1 1    6    4    6 o  618.841   67.714  817.730  149.273  801.765  182.097  850.436  260.635  623.169   74.880  614.514  112.843 8.654968 135.4276 
1 1 1    6    4    7 o  327.916   49.675  217.996   58.576  265.785  103.783  195.655   70.959  350.827   77.840  305.006   61.735 45.82053 99.34991 
1 1 1    6    4    8 o  560.763   68.509  722.364  136.224  775.974  169.606  624.918  228.665  609.521   71.305  512.005  117.001 97.51630 137.0173 
1 1 1    6    4    9 o  533.719   79.359  682.482  160.056  620.839  221.820  749.435  231.178  505.278  115.071  562.159  109.315 -56.88141 158.7174 
1 1 1    6    4   10 o  107.910   30.575   7.6455   20.994 -15.3329   31.193   26.676   28.386   91.046   41.145  124.775   45.236 -33.72905 61.14910 
1 1 1    6    4   11 o  784.705  124.817  1893.61  372.984  2066.26  542.745  1739.10  513.433  825.205  174.018  744.205  178.982 80.99945 249.6338 
1 1 1    6    4   12 o  576.988   62.000  785.440   89.406  807.045   96.833  660.588  232.781  635.194   39.065  518.783  117.685 116.4110 123.9997 
1 1 1    6    4   13 o  255.543   36.994  165.356   22.528  173.977   23.820   92.318   69.333  297.719   20.502  213.366   71.091 84.35257 73.98804 
1 1 1    6    4   14 o  179.395   30.786   74.341   15.243   78.008   16.127   43.599   46.691  199.415   20.724  159.375   57.979 40.04044 61.57122 
1 1 1    6    4   15 o  762.006   30.794  1145.10   91.572  1145.10   91.572   0.0000   0.0000  762.006   30.794  ?   ?       ?      ? 
1 1 1    6    4   16 o  394.872   24.056  306.077   37.069  306.077   37.069   0.0000   0.0000  394.872   24.056  ?   ?       ?      ? 
1 1 1    6    4   17 o  943.589   75.249  1749.02  122.063  1727.97  125.255  2146.31  544.165  935.570   34.307  951.607  146.535 -16.03717 150.4974 
1 1 1    6    4   18 o  692.186   67.343  1127.71   86.868  1147.03   90.541  903.971  308.101  763.180   30.401  621.193  131.210 141.9872 134.6860 
1 1 1    6    4   19 o  787.266   64.491  1203.35   91.135  1189.23   93.732  1447.50  389.831  776.783   30.921  797.750  125.221 -20.96649 128.9823 
1 1 1    6    4   20 f  706.406   54.829  817.047   68.896  792.246   70.533  1332.99  321.705  634.291   28.495  778.521  105.890 -144.2301 109.6573 
1 1 1    6    4   21 o  799.343   31.784  1276.33   99.116  1240.02  138.294  1314.68  142.128  787.642   44.993  811.045   44.906 -23.40277 63.56801 
1 1 1    6    4   22 o  325.639   29.865  209.243   37.952   0.0000   0.0000  209.243   37.952  ?   ?   325.639   29.865      ?      ? 
1 1 1    6    4   23 f  798.494   23.265  1254.29   72.039  1194.55   95.757  1332.19  109.346  777.190   31.573  819.799   34.179 -42.60980 46.53032 
1 1 1    6    4   24 o  317.874   24.930  202.017   29.833  196.701   48.734  205.203   37.728  313.688   39.811  322.061   30.019 -8.372803 49.86020 
1 1 1    6    4   25 o  246.587   21.117  122.036   20.061  133.707   27.220  108.161   29.681  260.035   26.824  233.140   32.623 26.89487 42.23484 
1 1 1    6    4   26 o  304.217   20.277  180.826   23.758  165.605   30.750  203.368   37.422  288.876   27.278  319.558   30.009 -30.68274 40.55365 
1 1 1    6    4   27 o  361.307   24.769  264.943   34.695  246.697   50.847  280.839   47.461  348.773   37.359  373.841   32.533 -25.06784 49.53814 
1 1 1    6    4   28 o  276.375   21.482  155.625   22.804  168.145   30.546  139.863   34.275  289.976   26.994  262.773   33.425 27.20248 42.96369 
1 1 1    6    4   29 o  293.145   99.349  245.984  135.408   0.0000   0.0000  245.984  135.408  ?   ?   293.145   99.349      ?      ? 
1 1 1    6    4   30 o  443.426   21.769  403.304   36.917  426.190   48.584  372.040   56.786  460.405   27.041  426.448   34.122 33.95691 43.53806 
1 1 1    6    4   31 o  180.452   25.322   69.268   17.396   58.358   25.298   79.054   23.959  163.982   39.909  196.921   31.178 -32.93861 50.64410 
1 1 1    6    4   32 o  474.720   28.279  458.863   52.388  458.863   52.388   0.0000   0.0000  474.720   28.279  ?   ?       ?      ? 
1 1 1    6    4   33 o  193.384   43.058   87.577   27.442   87.832   28.753   84.969   91.924  200.481   38.145  186.287   77.208 14.19484 86.11658 
1 1 1    6    4   34 o   95.863   47.863 -150.1644   73.226   0.0000   0.0000 -150.1644   73.226  ?   ?    95.863   47.863      ?      ? 
1 1 1    6    4   35 o  265.180   24.352  149.229   25.112  140.784   36.238  157.032   34.832  256.887   36.149  273.473   32.639 -16.58536 48.70341 
1 1 1    6    4   36 f  272.173   25.085  159.025   26.546  151.658   38.519  165.689   36.636  264.906   37.261  279.440   33.596 -14.53354 50.17067 
1 1 1    6    5    0 o  549.372   76.108  663.399  157.309  634.196  220.312  693.773  224.688  535.965  109.045  562.780  106.201 -26.81580 152.2158 
1 1 1    6    5    1 o  331.875   59.001  236.222   76.331  238.885  108.106  233.574  107.792  333.767   83.272  329.983   83.607 3.783539 118.0015 
1 1 1    6    5    2 o  517.388  104.332  588.271  203.382  588.271  203.382   0.0000   0.0000  517.388  104.332  ?   ?       ?      ? 
1 1 1    6    5    3 o  777.711  141.080  1418.75  412.401  1418.75  412.401   0.0000   0.0000  777.711  141.080  ?   ?       ?      ? 
1 1 1    6    5    4 o  292.006   78.698  182.452   91.708  182.452   91.708   0.0000   0.0000  292.006   78.698  ?   ?       ?      ? 
1 1 1    6    5    5 o  664.250   73.219  910.161  189.796  910.161  189.796   0.0000   0.0000  664.250   73.219  ?   ?       ?      ? 
1 1 1    6    5    6 o  289.206   78.887  181.125   91.497  181.125   91.497   0.0000   0.0000  289.206   78.887  ?   ?       ?      ? 
1 1 1    6    5    7 o  297.243   55.757  193.109   66.169  225.087   94.982  162.956   92.232  320.990   76.846  273.496   80.809 47.49432 111.5140 
1 1 1    6    5    8 o  503.774   63.870  600.134  114.381  694.623  145.034  444.670  186.035  577.889   64.312  429.660  110.369 148.2294 127.7393 
1 1 1    6    5    9 o  161.559   39.755   49.424   30.730   53.248   44.056   45.801   42.885  165.671   56.666  157.446   55.774 8.225143 79.50961 
1 1 1    6    5   10 o  189.114   39.953   74.151   30.675   72.739   37.771   76.886   52.571  185.654   50.703  192.574   61.760 -6.919998 79.90690 
1 1 1    6    5   11 o  265.513   53.945  155.878   58.885  162.140   83.680  149.736   82.879  270.520   76.080  260.507   76.497 10.01270 107.8893 
1 1 1    6    5   12 o  419.043   68.241  402.502  109.294  406.457  154.994  398.590  154.140  421.219   96.379  416.867   96.635 4.351807 136.4820 
1 1 1    6    5   13 o  410.581   94.459  379.421  148.198   0.0000   0.0000  379.421  148.198  ?   ?   410.581   94.459      ?      ? 
1 1 1    6    5   14 o  360.236   24.027  254.938   33.776  254.938   33.776   0.0000   0.0000  360.236   24.027  ?   ?       ?      ? 
1 1 1    6    5   15 o  1022.88   37.118  2072.09  148.162  2072.09  148.162   0.0000   0.0000  1022.88   37.118  ?   ?       ?      ? 
1 1 1    6    5   16 f  398.869   44.915  310.919   36.740  307.615   38.266  349.877  131.393  395.823   24.773  401.914   86.348 -6.091095 89.83096 
1 1 1    6    5   17 o  1121.48  100.308  2775.17  180.704  2758.89  185.685  3066.57  785.480  1179.55   40.339  1063.41  196.519 116.1431 200.6162 
1 1 1    6    5   18 o  726.091   57.326  927.480   75.166  906.978   77.137  1313.38  334.656  678.854   29.118  773.329  110.893 -94.47498 114.6518 
1 1 1    6    5   19 o  492.790   54.519  636.200   57.007  671.613   60.608  364.465  167.889  584.453   26.574  401.127  105.750 183.3260 109.0373 
1 1 1    6    5   20 o  603.404   52.066  668.234   60.179  655.858   62.053  863.871  246.721  577.232   27.548  629.575  100.422 -52.34259 104.1314 
1 1 1    6    5   21 o  305.546   86.375  204.997  107.571   0.0000   0.0000  204.997  107.571  ?   ?   305.546   86.375      ?      ? 
1 1 1    6    5   22 o  770.931   60.496  1009.54   80.704  981.703   82.561  1607.52  382.687  705.238   29.999  836.624  117.215 -131.3863 120.9925 
1 1 1    6    5   23 o  883.362   70.186  1386.18  102.563  1351.53  104.780  2179.04  501.236  826.150   32.500  940.574  136.558 -114.4233 140.3725 
1 1 1    6    5   24 o  520.385   49.686  398.232   65.429  353.512   68.578  851.857  218.415  419.716   41.869  621.055   90.120 -201.3387 99.37130 
1 1 1    6    5   25 o  269.694   47.489  199.585   32.612  209.522   33.621   41.414  134.133  325.444   26.473  213.943   91.214 111.5011 94.97845 
1 1 1    6    5   26 o  585.613   64.439  736.593  147.262   0.0000   0.0000  736.593  147.262  ?   ?   585.613   64.439      ?      ? 
1 1 1    6    5   27 o  190.459   44.953   74.831   23.256   77.945   23.587 -33.4946  139.133  197.127   30.662  183.792   84.516 13.33495 89.90582 
1 1 1    6    5   28 o  319.601   20.521  208.403   25.167  237.561   34.471  175.116   36.831  344.941   25.608  294.261   32.074 50.68011 41.04231 
1 1 1    6    5   29 o  318.534   53.724  261.760   52.265  268.600   56.525  221.437  137.234  359.624   40.277  277.443   99.613 82.18036 107.4475 
1 1 1    6    5   30 o  458.172   20.776  426.280   36.982  457.838   51.424  392.475   53.224  476.737   27.641  439.607   31.025 37.12973 41.55202 
1 1 1    6    5   31 o  140.300   26.193   40.014   13.951   51.191   24.202   34.452   17.073  153.411   40.010  127.189   33.814 26.22201 52.38559 
1 1 1    6    5   32 o  330.935   21.487  225.349   27.666  231.971   38.079  217.946   40.262  336.848   28.968  325.023   31.743 11.82523 42.97458 
1 1 1    6    5   33 o  327.674   30.088  221.939   38.474  221.939   38.474   0.0000   0.0000  327.674   30.088  ?   ?       ?      ? 
1 1 1    6    5   34 o  281.862   29.742  176.237   29.736  171.617   51.124  178.599   36.556  271.429   50.112  292.295   32.048 -20.86591 59.48369 
1 1 1    6    5   35 o  110.892   24.793   26.217   15.015 -20.4390   28.852   43.546   17.584   80.222   37.438  141.563   32.515 -61.34102 49.58602 
1 1 1    6    5   36 o  141.687   29.537   46.227   16.683   41.506   31.358   48.090   19.703  135.905   47.738  147.470   34.799 -11.56485 59.07479 
1 1 1    6    6    0 o  741.189   96.500  1288.87  268.832  1293.07  380.574  1284.68  379.800  742.510  136.368  739.867  136.575 2.643005 192.9995 
1 1 1    6    6    1 o  438.691   67.858  422.748  112.944  408.641  158.795  437.192  160.676  430.716   96.828  446.667   95.096 -15.95129 135.7168 
1 1 1    6    6    2 o  204.443   45.471   84.343   40.636   73.226   57.062   95.782   57.883  193.669   64.492  215.217   64.119 -21.54732 90.94185 
1 1 1    6    6    3 o  875.322  116.950  1953.80  384.772  1884.05  537.924  2026.88  550.596  857.185  166.813  893.459  163.958 -36.27307 233.8996 
1 1 1    6    6    4 o  202.216   40.252   79.098   31.654   65.513   38.528  107.317   55.527  178.574   52.077  225.858   61.391 -47.28424 80.50386 
1 1 1    6    6    5 o  452.331   49.062  409.652   81.893  381.696   99.360  468.872  144.611  432.781   58.832  471.880   78.531 -39.09982 98.12359 
1 1 1    6    6    6 o  702.964   76.633  1130.48  191.348  1126.80  234.893  1137.73  329.912  724.596   83.070  681.332  128.801 43.26355 153.2650 
1 1 1    6    6    7 o  676.903   77.407  1057.34  185.501  1116.83  325.765  1028.80  225.660  666.117  129.987  687.688   84.087 -21.57147 154.8138 
1 1 1    6    6    8 o  113.826   30.456   18.194   18.045   25.997   29.779   13.667   22.683  125.425   46.200  102.226   39.696 23.19946 60.91183 
1 1 1    6    6    9 o  209.667   45.248   91.978   41.124  117.746   59.455   68.341   56.942  233.133   63.591  186.200   64.389 46.93234 90.49677 
1 1 1    6    6   10 o  372.981   59.915  288.582   87.208  288.582   87.208   0.0000   0.0000  372.981   59.915  ?   ?       ?      ? 
1 1 1    6    6   11 o  242.173   54.920  124.184   50.708  124.184   50.708   0.0000   0.0000  242.173   54.920  ?   ?       ?      ? 
1 1 1    6    6   12 o  244.005   72.548  127.110   74.159  127.110   74.159   0.0000   0.0000  244.005   72.548  ?   ?       ?      ? 
1 1 1    6    6   13 o  770.403  148.292  1487.24  429.648  1487.24  429.648   0.0000   0.0000  770.403  148.292  ?   ?       ?      ? 
1 1 1    6    6   14 o  309.763   57.915  208.420   71.072  207.911  101.159  208.917   99.875  309.313   82.346  310.212   81.459 -0.8990784 115.8298 
1 1 1    6    6   15 o  477.357   53.123  528.445   50.265  539.081   52.588  415.974  171.011  523.821   25.726  430.893  103.084 92.92807 106.2453 
1 1 1    6    6   16 o  841.691   69.541  1457.96  107.619  1450.40  111.067  1574.12  435.321  857.452   33.193  825.929  135.063 31.52338 139.0815 
1 1 1    6    6   17 o  1039.68   91.440  2333.59  155.921  2319.70  160.319  2576.53  670.333  1082.54   37.950  996.807  178.899 85.73694 182.8794 
1 1 1    6    6   18 o  596.120   56.838  715.132   62.852  710.210   65.028  785.022  245.038  600.898   27.731  591.341  110.241 9.557861 113.6751 
1 1 1    6    6   19 o  1056.76   95.780  2460.27  163.151  2444.09  167.667  2748.58  707.743  1109.92   38.710  1003.60  187.608 106.3202 191.5602 
1 1 1    6    6   20 o  619.127  121.982  897.395  284.236   0.0000   0.0000  897.395  284.236  ?   ?   619.127  121.982      ?      ? 
1 1 1    6    6   21 o  580.362   59.654  732.802   64.784  734.896   67.260  705.914  240.982  610.672   28.224  550.052  115.922 60.62018 119.3082 
1 1 1    6    6   22 o  257.851   43.352  136.168   27.216  136.313   28.468  134.633   92.787  262.974   27.741  252.727   82.147 10.24709 86.70455 
1 1 1    6    6   23 o  777.192   66.288  1174.52   90.853  1155.65   93.326  1516.59  397.309  764.100   31.298  790.284  128.829 -26.18408 132.5760 
1 1 1    6    6   24 o  153.518   41.447   26.974   18.151   25.006   18.654   61.989   78.685  113.486   36.830  193.549   74.263 -80.06358 82.89468 
1 1 1    6    6   25 o  776.929  215.030  2447.85  674.083   0.0000   0.0000  2447.85  674.083  ?   ?   776.929  215.030      ?      ? 
1 1 1    6    6   26 o  208.306   45.402   87.120   23.876   88.368   24.416   59.844  114.149  210.406   29.736  206.206   85.797 4.199997 90.80413 
1 1 1    6    6   27 f  147.364   43.724   26.932   17.809   27.554   18.034   2.3988  113.210  116.312   36.025  178.415   79.684 -62.10246 87.44875 
1 1 1    6    6   28 o  382.317   27.554  293.208   41.109  293.208   41.109   0.0000   0.0000  382.317   27.554  ?   ?       ?      ? 
1 1 1    6    6   29 o  527.526   73.809  739.787   67.503  735.159   69.431  819.669  288.443  603.282   29.492  451.770  144.642 151.5122 147.6179 
1 1 1    6    6   30 o  157.370   50.266   15.636   39.356   14.146   41.105   32.025  136.343  122.816   51.325  191.923   86.443 -69.10690 100.5323 
1 1 1    6    6   31 o  275.277   42.213  201.957   34.648  215.138   37.876  134.378   85.765  324.914   29.872  225.640   78.965 99.27400 84.42672 
1 1 1    6    6   32 o  218.422   35.903  153.317   32.232  181.335   34.636 -27.7970   88.061  297.048   29.879  139.796   65.295 157.2528 71.80655 
1 1 1    6    6   33 o  186.081   46.324   90.362   41.105   98.584   47.286   64.940   83.150  199.600   57.546  172.562   72.610 27.03737 92.64865 
1 1 1    6    6   34 o  141.330   43.401   24.762   37.537   21.927   42.051   35.882   83.282  125.195   52.081  157.465   69.441 -32.26942 86.80102 
1 1 1    6    6   35 o  313.392   92.551  332.573  121.009   0.0000   0.0000  332.573  121.009  ?   ?   313.392   92.551      ?      ? 
1 1 1    6    7    0 o  443.096   69.121  440.125  116.317  432.724  164.015  447.614  164.984  439.017   98.194  447.176   97.309 -8.159515 138.2427 
1 1 1    6    7    1 o  192.778   43.050   74.369   36.722   56.965   51.291   92.672   52.600  174.988   61.076  210.568   60.688 -35.58070 86.10066 
1 1 1    6    7    2 o  216.307   47.661   96.917   44.579   92.902   62.882  100.974   63.207  212.609   67.478  220.005   67.328 -7.395325 95.32232 
1 1 1    6    7    3 o  228.153   47.654  109.014   45.912   86.355   63.943  133.128   65.963  206.848   68.240  249.457   66.536 -42.60912 95.30854 
1 1 1    6    7    4 o  418.422   48.293  328.982   72.266  266.520   85.259  488.356  136.190  354.619   63.963  482.225   72.371 -127.6063 96.58568 
1 1 1    6    7    5 o  299.533   46.848  194.446   52.044  203.943   64.272  176.359   88.696  316.585   52.024  282.480   77.926 34.10410 93.69615 
1 1 1    6    7    6 o  345.789   39.585  247.452   51.691  298.100   75.996  203.846   70.516  382.474   50.916  309.103   60.625 73.37070 79.16971 
1 1 1    6    7    7 o  511.810   46.934  545.220   92.561  676.533  138.395  438.940  124.506  569.169   62.308  454.452   70.205 114.7163 93.86754 
1 1 1    6    7    8 o  651.314   54.916  903.870  137.763  1128.62  208.337  729.240  183.643  725.412   73.595  577.216   81.527 148.1958 109.8318 
1 1 1    6    7    9 o  597.256   73.102  842.880  154.772  871.565  191.101  788.197  263.857  636.219   76.970  558.294  124.302 77.92548 146.2036 
1 1 1    6    7   10 o  458.930   59.940  462.398   98.542  461.333  120.691  464.527  170.671  470.559   65.725  447.300  100.256 23.25809 119.8792 
1 1 1    6    7   11 o  495.504   62.884  547.550  111.220  569.718  137.432  505.476  189.333  524.284   67.172  466.723  106.326 57.56073 125.7672 
1 1 1    6    7   12 o  478.616   70.845  513.987  128.106  594.908  186.888  442.265  175.945  517.356   96.106  439.877  104.115 77.47827 141.6908 
1 1 1    6    7   13 o  495.563   72.792  550.400  136.165  601.406  196.301  503.099  189.036  519.721  100.422  471.404  105.404 48.31714 145.5836 
1 1 1    6    7   14 o  557.831   74.615  683.122  158.661  797.858  233.341  584.460  216.379  609.016   98.182  506.646  112.383 102.3704 149.2296 
1 1 1    6    7   15 o  836.829  104.303  1665.95  332.197  1891.66  489.878  1473.80  452.001  900.164  139.455  773.495  155.142 126.6684 208.6067 
1 1 1    6    7   16 o  840.425   77.161  1525.29  152.700  1519.50  162.531  1568.82  445.834  872.597   47.730  808.252  146.755 64.34576 154.3213 
1 1 1    6    7   17 o  1056.76   84.424  2202.38  148.412  2171.31  152.022  2833.63  685.154  1047.50   37.189  1066.01  164.701 -18.51025 168.8472 
1 1 1    6    7   18 o  313.837   43.656  228.322   44.523  252.499   51.453  156.265   88.826  357.092   36.923  270.581   79.120 86.51099 87.31188 
1 1 1    6    7   19 o  700.975   66.870  1009.94  113.568  992.761  120.923  1138.41  330.696  705.456   43.924  696.494  126.321 8.961731 133.7397 
1 1 1    6    7   20 f  889.276   65.797  1253.00   95.368  1212.11   97.181  2317.88  495.935  783.344   31.791  995.208  127.697 -211.8634 131.5943 
1 1 1    6    7   21 o  598.876   58.357  726.940   65.260  720.698   67.558  814.044  252.351  604.586   28.634  593.166  113.147 11.41998 116.7137 
1 1 1    6    7   22 o  469.603   53.323  468.471   49.497  468.315   51.534  470.326  177.846  487.443   27.092  451.763  103.147 35.67969 106.6457 
1 1 1    6    7   23 o  429.369  104.422  434.757  173.281   0.0000   0.0000  434.757  173.281  ?   ?   429.369  104.422      ?      ? 
1 1 1    6    7   24 o  624.987   66.228  871.170   74.503  868.912   77.127  902.673  288.071  661.768   29.866  588.205  129.045 73.56262 132.4562 
1 1 1    6    7   25 o  398.525   54.965  343.654   41.706  341.627   43.104  373.388  165.089  415.050   26.613  381.999  106.661 33.05118 109.9307 
1 1 1    6    7   26 o  343.816   47.582  160.199   29.418  148.605   30.061  422.605  143.016  272.927   28.224  414.706   90.881 -141.7791 95.16327 
1 1 1    6    7   27 o  261.056   28.819  136.714   29.359  136.714   29.359   0.0000   0.0000  261.056   28.819  ?   ?       ?      ? 
1 1 1    6    7   28 o  255.923   29.415  132.061   29.378  132.061   29.378   0.0000   0.0000  255.923   29.415  ?   ?       ?      ? 
1 1 1    6    7   29 o  312.603   58.236  156.201   32.022  147.572   32.577  403.161  174.275  269.725   30.950  355.481  112.284 -85.75641 116.4715 
1 1 1    6    7   30 o  225.992   51.804  102.670   29.050  101.515   29.581  134.022  154.074  222.315   34.097  229.670   97.836 -7.354691 103.6070 
1 1 1    6    7   31 o  363.701   61.514  375.157   47.292  374.736   48.521  383.164  211.494  428.840   28.993  298.562  119.562 130.2787 123.0273 
1 1 1    6    7   32 o  158.389   47.210   37.039   25.687   35.490   26.256   71.647  124.140  129.044   43.747  187.735   83.673 -58.69073 94.41950 
1 1 1    6    7   33 o  309.414   51.618  329.685   64.752  371.350   71.722  146.041  150.577  408.888   44.949  209.939   92.936 198.9488 103.2351 
1 1 1    6    7   34 o  209.105   44.907  117.640   32.726  121.653   33.820   58.590  129.730  238.842   36.286  179.368   82.159 59.47430 89.81486 
1 1 1    6    7   35 o  178.611   52.983   72.666   49.972   65.800   54.080  112.779  130.712  163.967   61.887  193.254   86.016 -29.28662 105.9661 
1 1 1    6    8    0 o  748.208  109.095  1512.90  307.946  1562.46  439.771  1465.22  431.353  762.220  153.162  734.196  155.397 28.02338 218.1904 
1 1 1    6    8    1 o  527.071  111.751  663.176  222.722   0.0000   0.0000  663.176  222.722  ?   ?   527.071  111.751      ?      ? 
1 1 1    6    8    2 o  730.999  151.826  1445.15  418.948   0.0000   0.0000  1445.15  418.948  ?   ?   730.999  151.826      ?      ? 
1 1 1    6    8    3 o  618.995   88.573  951.204  206.368  816.352  280.894  1109.36  304.195  564.747  130.130  673.242  120.194 -108.4945 177.1450 
1 1 1    6    8    4 o  226.384   44.144  106.253   42.686   57.351   58.524  161.839   62.396  177.950   64.885  274.818   59.874 -96.86806 88.28890 
1 1 1    6    8    5 o  573.742   77.479  768.234  168.265  576.942  221.319  1030.28  259.033  477.949  119.093  669.534   99.140 -191.5847 154.9579 
1 1 1    6    8    6 o  556.184   69.869  738.078  138.145  642.255  231.378  791.157  172.207  504.316  119.414  608.053   72.573 -103.7368 139.7375 
1 1 1    6    8    7 o  161.623   37.835   50.420   26.837   57.516   45.410   46.611   33.269  170.651   57.535  152.595   49.151 18.05583 75.67076 
1 1 1    6    8    8 o  465.837   58.218  456.908   97.171  539.654  173.382  419.015  117.330  484.961   95.013  446.713   67.305 38.24823 116.4366 
1 1 1    6    8    9 o  373.302   64.247  316.253   92.709  315.208  130.803  317.307  131.421  372.715   90.774  373.889   90.944 -1.173279 128.4943 
1 1 1    6    8   10 o  499.903   74.504  574.536  140.773  620.273  202.319  531.612  195.997  521.279  103.109  478.527  107.573 42.75220 149.0079 
1 1 1    6    8   11 f  159.039   37.355   47.923   26.096   45.834   32.169   51.944   44.628  152.042   48.264  166.035   57.026 -13.99342 74.70903 
1 1 1    6    8   12 o  473.310   60.823  493.866  103.019  523.974  127.896  438.242  173.839  506.180   64.747  440.440  102.983 65.73907 121.6458 
1 1 1    6    8   13 o  623.082   71.115  861.725  157.497  895.690  195.142  798.260  266.751  657.529   76.051  588.635  120.191 68.89380 142.2308 
1 1 1    6    8   14 o  471.825   66.391  476.306  119.792  582.946  177.234  386.613  162.542  527.078   86.167  416.572  101.027 110.5067 132.7823 
1 1 1    6    8   15 o  418.721   94.034  384.511  149.895   0.0000   0.0000  384.511  149.895  ?   ?   418.721   94.034      ?      ? 
1 1 1    6    8   16 o  659.539  124.461  1000.57  308.592   0.0000   0.0000  1000.57  308.592  ?   ?   659.539  124.461      ?      ? 
1 1 1    6    8   17 o  517.291   55.704  549.893   77.652  543.984   84.308  582.936  199.380  523.278   41.286  511.303  103.476 11.97516 111.4084 
1 1 1    6    8   18 o  192.000   44.378   70.420   37.446   59.817   47.469   87.890   60.930  175.852   58.827  208.148   66.461 -32.29567 88.75616 
1 1 1    6    8   19 o  531.026   55.160  587.407   58.227  585.754   60.657  606.804  207.793  545.256   28.507  516.795  106.574 28.46051 110.3207 
1 1 1    6    8   20 o  168.841   33.996   59.242   18.429   62.127   19.567   36.583   54.840  177.551   28.240  160.131   61.850 17.42067 67.99255 
1 1 1    6    8   21 o  701.130   62.999  961.219  105.307  935.367  110.998  1194.11  333.148  684.561   41.550  717.700  118.950 -33.13849 125.9977 
1 1 1    6    8   22 o  257.890   81.101  143.520   91.009   0.0000   0.0000  143.520   91.009  ?   ?   257.890   81.101      ?      ? 
1 1 1    6    8   23 o  312.478   48.213  252.298   36.248  263.623   38.070  142.449  118.564  365.336   26.703  259.620   92.655 105.7158 96.42651 
1 1 1    6    8   24 o  382.810   54.020  426.906   48.167  453.180   50.790  192.054  151.851  478.247   27.214  287.374  104.557 190.8724 108.0409 
1 1 1    6    8   25 o  451.794   53.300  384.695   44.913  373.690   46.317  557.929  183.768  433.523   27.378  470.066  103.023 -36.54288 106.5991 
1 1 1    6    8   27 o  259.878   27.941  135.490   28.337  135.490   28.337   0.0000   0.0000  259.878   27.941  ?   ?       ?      ? 
1 1 1    6    8   28 o  454.541   65.855  484.131   52.350  476.636   53.747  622.719  231.126  486.515   28.309  422.567  128.632 63.94846 131.7101 
1 1 1    6    8   29 o  392.413   62.505  320.396   42.504  311.094   43.441  529.278  205.856  392.629   28.352  392.197  121.752 0.4318848 125.0097 
1 1 1    6    8   30 o  216.596   55.346   74.684   26.013   71.581   26.337  198.271  166.217  182.352   38.233  250.841  103.880 -68.48892 110.6924 
1 1 1    6    8   31 o  233.001   47.589  150.249   33.186  154.980   33.857   34.373  167.570  274.143   31.647  191.858   89.762 82.28459 95.17732 
1 1 1    6    8   32 o  206.868   66.405  112.062   60.765  112.062   60.765   0.0000   0.0000  206.868   66.405  ?   ?       ?      ? 
1 1 1    6    8   33 o  296.936   48.661  298.847   43.907  312.959   45.754  134.585  156.102  388.411   30.186  205.461   92.522 182.9504 97.32193 
1 1 1    6    8   34 o  243.186   45.793  186.447   39.337  196.148   40.798   58.276  148.293  304.410   34.344  181.963   84.903 122.4474 91.58667 
1 1 1    6    8   35 o  321.001   48.829  394.332   51.068  415.684   53.094  130.457  186.648  445.622   30.531  196.381   92.763 249.2409 97.65788 
1 1 1    6    9    0 o  566.502   85.218  804.767  182.610  853.725  262.030  758.536  254.628  585.763  118.696  547.241  122.309 38.52240 170.4351 
1 1 1    6    9    1 f  453.745   72.866  492.015  126.080  487.654  178.010  496.405  178.601  451.477  103.277  456.013  102.818 -4.536499 145.7313 
1 1 1    6    9    2 o  216.404   48.184   99.660   45.420  100.341   64.212   98.978   64.254  217.011   68.103  215.798   68.181 1.212845 96.36734 
1 1 1    6    9    3 o  375.761   64.224  326.639   93.387  287.238  129.540  369.275  134.752  350.257   93.155  401.266   88.437 -51.00873 128.4485 
1 1 1    6    9    4 f  418.561   68.787  411.970  110.353  451.472  158.553  374.855  153.686  440.133   95.089  396.989   99.421 43.14441 137.5735 
1 1 1    6    9    5 o  212.769   34.485   84.772   32.495  173.024   49.549   18.171   43.044  292.916   43.348  132.621   53.645 160.2947 68.96979 
1 1 1    6    9    6 o  447.238   50.713  384.183   82.746  547.367  154.195  318.185   98.061  504.103   78.383  390.373   64.370 113.7298 101.4264 
1 1 1    6    9    7 o  591.212   57.403  640.643  119.517  1051.16  241.826  507.960  137.482  691.671   89.592  490.752   71.788 200.9190 114.8053 
1 1 1    6    9    8 o  235.101   44.015  107.189   39.582  159.160   69.156   81.869   48.270  272.176   65.830  198.027   58.445 74.14854 88.03083 
1 1 1    6    9    9 o  442.761   67.312  437.317  113.071  530.485  166.083  356.826  154.371  490.298   90.123  395.224  100.008 95.07474 134.6249 
1 1 1    6    9   10 o  164.643   39.435   50.311   30.617   66.078   44.136   35.685   42.509  180.710   56.421  148.577   55.109 32.13223 78.86903 
1 1 1    6    9   11 o  374.249   63.474  308.610   91.543  296.083  129.173  321.250  129.751  366.098   90.846  382.399   88.672 -16.30115 126.9479 
1 1 1    6    9   12 o  565.996   79.346  724.750  169.037  754.266  242.055  696.653  236.162  578.117  111.331  553.874  113.087 24.24335 158.6921 
1 1 1    6    9   13 o  615.000   84.128  861.954  194.589  834.436  274.765  889.644  275.618  603.516  120.880  626.484  117.041 -22.96796 168.2568 
1 1 1    6    9   14 f  454.448   98.059  455.074  168.798   0.0000   0.0000  455.074  168.798  ?   ?   454.448   98.059      ?      ? 
1 1 1    6    9   15 o  400.733   63.789  348.407   97.535  407.796  142.573  296.162  133.723  434.436   87.128  367.030   93.193 67.40634 127.5783 
1 1 1    6    9   16 f  369.619   63.324  299.068   90.352  310.635  130.024  288.268  125.641  376.523   89.759  362.716   89.349 13.80746 126.6487 
1 1 1    6    9   17 o  390.511   65.923  337.616   99.020  341.708  142.910  333.837  137.327  392.298   94.477  388.725   91.965 3.573059 131.8461 
1 1 1    6    9   18 o  728.071   71.463  1184.39  124.620  1192.52  133.380  1128.52  349.632  772.888   44.222  683.253  135.912 89.63525 142.9253 
1 1 1    6    9   19 o  328.746   45.426  270.219   41.681  292.833   45.721  158.952  101.417  385.196   30.416  272.295   85.610 112.9019 90.85276 
1 1 1    6    9   20 o  233.809   40.236  107.086   26.912  105.570   28.796  117.540   75.640  231.081   31.933  236.537   73.864 -5.456345 80.47121 
1 1 1    6    9   21 o  258.373   50.327  146.645   53.367  175.189   71.045  109.684   80.846  286.043   65.108  230.703   76.762 55.33954 100.6549 
1 1 1    6    9   22 o  883.364   34.469  1551.65  118.823  1551.65  118.823   0.0000   0.0000  883.364   34.469  ?   ?       ?      ? 
1 1 1    6    9   23 o  267.036   45.280  148.710   29.431  148.501   30.760  150.970  101.228  273.703   28.799  260.370   85.859 13.33337 90.56046 
1 1 1    6    9   24 o  917.814   35.674  1692.35  127.771  1692.35  127.771   0.0000   0.0000  917.814   35.674  ?   ?       ?      ? 
1 1 1    6    9   25 o  199.739   31.354   80.000   24.439   80.000   24.439   0.0000   0.0000  199.739   31.354  ?   ?       ?      ? 
1 1 1    6    9   26 o  150.686   61.230   30.427   56.356   30.427   56.356   0.0000   0.0000  150.686   61.230  ?   ?       ?      ? 
1 1 1    6    9   27 o  183.646   47.710   54.745   21.328   54.206   21.636   73.255  126.750  159.966   35.579  207.327   88.538 -47.36043 95.41920 
1 1 1    6    9   28 o  421.546   65.444  485.920   54.292  487.154   55.932  465.804  225.846  491.154   29.182  351.938  127.594 139.2156 130.8884 
1 1 1    6    9   29 o  336.159   62.479  335.001   73.864  346.490   79.311  259.876  202.801  398.947   50.943  273.371  114.103 125.5767 124.9583 
1 1 1    6    9   30 o  206.838   47.406  102.509   28.379  105.838   28.737 -28.5028  180.268  226.860   32.460  186.816   89.081 40.04446 94.81129 
1 1 1    6    9   31 o  274.914   64.309  243.087   75.029  241.799   80.090  252.322  214.480  307.466   68.503  242.361  108.857 65.10452 128.6178 
1 1 1    6    9   32 o  134.157   59.709   9.0133   62.975   9.0133   62.975   0.0000   0.0000  134.157   59.709  ?   ?       ?      ? 
1 1 1    6    9   33 o  240.942   63.497  183.553   69.088  175.749   72.935  251.723  215.570  252.803   71.004  229.082  105.289 23.72102 126.9937 
1 1 1    6    9   34 o  284.693   49.729  286.906   54.752  306.094   57.541  103.279  178.006  375.234   39.296  194.152   91.367 181.0823 99.45854 
1 1 1    6   10    0 o  394.906   66.861  362.916  101.684  359.200  143.576  366.656  144.029  392.686   94.775  397.127   94.336 -4.441589 133.7222 
1 1 1    6   10    1 o  398.135   67.135  368.990  102.840  367.344  145.309  370.642  145.566  397.172   95.026  399.098   94.861 -1.926544 134.2700 
1 1 1    6   10    2 o  227.900   44.416  108.104   39.150  100.011   48.062  124.062   67.493  216.606   56.330  239.193   68.689 -22.58711 88.83278 
1 1 1    6   10    3 o  592.901   62.133  714.644  133.489  621.878  157.924  946.784  249.821  539.921   74.952  645.881   99.116 -105.9600 124.2654 
1 1 1    6   10    4 o  544.452   65.775  660.361  127.481  652.551  155.821  676.170  221.689  555.768   71.846  533.135  110.197 22.63226 131.5495 
1 1 1    6   10    5 o  886.065  100.461  1953.06  312.329  1886.35  378.375  2095.71  553.307  908.566  106.717  863.563  170.239 45.00299 200.9228 
1 1 1    6   10    6 o  563.915   49.240  662.455  108.299  693.268  155.223  633.228  151.173  577.047   68.931  550.783   70.333 26.26404 98.47964 
1 1 1    6   10    7 o  354.753   41.367  259.708   55.111  323.517   80.511  203.447   75.599  400.191   51.553  309.314   64.710 90.87738 82.73481 
1 1 1    6   10    8 o  593.853   73.934  734.697  171.339   0.0000   0.0000  734.697  171.339  ?   ?   593.853   73.934      ?      ? 
1 1 1    6   10    9 o  256.446   46.973  140.547   45.740  144.665   55.950  132.249   79.426  262.843   56.246  250.049   75.248 12.79356 93.94604 
1 1 1    6   10   10 o  130.227   32.492   28.844   19.469   26.608   23.529   33.700   34.671  120.709   41.410  139.745   50.080 -19.03526 64.98306 
1 1 1    6   10   11 o  563.561   66.143  691.886  132.645  709.272  163.509  658.418  226.856  587.467   71.322  539.655  111.413 47.81158 132.2867 
1 1 1    6   10   12 o  730.653   77.821  1175.96  202.143  1174.43  247.830  1179.01  349.402  749.112   84.776  712.194  130.528 36.91748 155.6423 
1 1 1    6   10   13 o  124.605   32.774   24.089   21.177   25.007   28.114   22.884   32.197  123.484   44.979  125.726   47.680 -2.241432 65.54770 
1 1 1    6   10   14 o  571.809   67.327  722.322  137.379  766.908  171.558  642.633  229.358  611.153   71.933  532.466  113.829 78.68658 134.6535 
1 1 1    6   10   15 o  261.539   53.576  145.014   58.118  127.454   82.553  162.270   81.833  247.404   77.150  275.674   74.359 -28.27000 107.1515 
1 1 1    6   10   16 o  522.786  108.445  618.595  213.988  618.595  213.988   0.0000   0.0000  522.786  108.445  ?   ?       ?      ? 
1 1 1    6   10   17 o  242.873   51.610  119.651   52.624  155.855   82.300   94.611   68.445  269.503   75.330  216.243   70.566 53.25989 103.2191 
1 1 1    6   10   18 o  390.647   99.616  345.798  152.331  345.798  152.331   0.0000   0.0000  390.647   99.616  ?   ?       ?      ? 
1 1 1    6   10   19 o  298.991   52.757  193.682   59.001  196.046   72.127  188.902  102.575  304.392   62.804  293.591   84.787 10.80063 105.5142 
1 1 1    6   10   20 o  611.169   65.421  844.938  116.126  862.686  129.883  774.219  259.266  653.373   50.940  568.965  120.518 84.40820 130.8416 
1 1 1    6   10   21 o  385.282   47.945  296.255   42.010  291.657   44.190  339.438  135.416  384.060   29.485  386.503   91.245 -2.442993 95.89016 
1 1 1    6   10   22 o  662.815   31.299  872.405   80.956  872.405   80.956   0.0000   0.0000  662.815   31.299  ?   ?       ?      ? 
1 1 1    6   10   23 o  471.377   29.455  441.722   54.183  441.722   54.183   0.0000   0.0000  471.377   29.455  ?   ?       ?      ? 
1 1 1    6   10   24 o  198.045   71.832   79.637   71.591   79.637   71.591   0.0000   0.0000  198.045   71.832  ?   ?       ?      ? 
1 1 1    6   10   25 o  524.812   29.101  551.728   59.599  551.728   59.599   0.0000   0.0000  524.812   29.101  ?   ?       ?      ? 
1 1 1    6   10   26 o  273.668   48.669  199.863   32.567  205.401   33.576  111.827  133.871  320.264   26.865  227.072   93.556 93.19162 97.33701 
1 1 1    6   10   27 o  119.725   39.771   10.961   12.166   11.715   12.234 -55.7947  115.131   82.370   29.722  157.081   73.781 -74.71029 79.54246 
1 1 1    6   10   28 o  313.842   48.368  350.723   45.540  375.013   46.990 -24.6426  184.724  431.294   27.919  196.391   92.619 234.9026 96.73558 
1 1 1    6   10   29 o  168.761   46.554   51.745   21.560   53.608   21.735 -62.9123  170.497  158.094   36.032  179.427   85.854 -21.33287 93.10813 
1 1 1    6   10   30 o  307.754   54.737  338.772   80.776  393.329   87.411   19.787  211.362  416.419   53.790  199.088   95.347 217.3314 109.4739 
1 1 1    6   10   31 o  249.840   61.766  195.499   68.050  194.402   72.491  203.640  197.453  272.728   68.270  226.952  102.952 45.77592 123.5313 
1 1 1    6   10   32 o  107.739   39.273   22.299   21.439   22.299   21.439   0.0000   0.0000  107.739   39.273  ?   ?       ?      ? 
1 1 1    6   10   33 o  190.189   91.164   63.927  194.155   0.0000   0.0000   63.927  194.155  ?   ?   190.189   91.164      ?      ? 
1 1 1    6   10   34 o  132.575   44.971 -29.5512   58.316 -10.2003   64.661 -113.8964  134.996  124.690   57.441  140.460   69.210 -15.77068 89.94145 
1 1 1    6   11    0 o  360.135   62.795  291.490   87.695  291.302  123.989  291.679  124.051  360.017   88.804  360.253   88.805 -0.2352295 125.5890 
1 1 1    6   11    1 o  126.266   32.450   25.559   20.128   20.887   25.340   33.547   33.132  114.848   42.558  137.684   48.997 -22.83636 64.89902 
1 1 1    6   11    2 o  218.010   43.049   96.125   36.517   85.532   44.854  116.947   62.885  201.789   55.313  234.231   65.981 -32.44203 86.09861 
1 1 1    6   11    3 o  397.835   53.097  322.222   76.091  292.973   91.961  385.718  135.494  377.597   62.409  418.073   85.922 -40.47537 106.1948 
1 1 1    6   11    4 o  389.331   54.925  325.131   77.315  326.472   94.698  322.449  133.896  399.389   60.759  379.272   91.516 20.11728 109.8493 
1 1 1    6   11    5 o  596.210   69.990  793.874  148.056  809.902  182.098  762.614  254.310  622.467   74.965  569.954  118.215 52.51215 139.9804 
1 1 1    6   11    6 o  409.133   42.617  341.053   67.886  370.844   96.904  312.343   95.131  427.288   58.115  390.979   62.350 36.30911 85.23441 
1 1 1    6   11    7 o  528.828   47.222  568.885   96.461  691.591  143.143  466.807  130.557  582.044   63.020  475.612   70.342 106.4321 94.44347 
1 1 1    6   11    8 o  587.504   72.988  713.309  167.339   0.0000   0.0000  713.309  167.339  ?   ?   587.504   72.988      ?      ? 
1 1 1    6   11    9 o  345.592   51.241  250.260   64.450  250.092   78.731  250.600  112.212  351.914   57.329  339.271   84.946 12.64240 102.4817 
1 1 1    6   11   10 o  192.171   41.454   73.432   32.274   71.242   38.962   78.222   57.608  185.787   51.795  198.555   64.736 -12.76826 82.90705 
1 1 1    6   11   11 o  476.572   60.829  496.567  103.499  527.325  128.273  439.183  175.207  509.355   64.533  443.789  103.131 65.56635 121.6574 
1 1 1    6   11   12 f  671.875   73.727  985.196  176.093  986.851  215.913  981.909  304.316  689.333   80.263  654.417  123.695 34.91650 147.4534 
1 1 1    6   11   13 o  318.543   49.952  217.473   59.356  232.137   73.784  190.578   99.924  339.605   55.674  297.482   82.953 42.12256 99.90410 
1 1 1    6   11   14 o  688.076   77.461  1104.95  188.037  1277.58  240.799  835.179  301.017  783.814   78.724  592.339  133.428 191.4745 154.9211 
1 1 1    6   11   15 o  211.891   53.204   93.811   43.930   93.811   43.930   0.0000   0.0000  211.891   53.204  ?   ?       ?      ? 
1 1 1    6   11   16 o  395.598   64.037  342.329   96.950  413.303  143.609  282.894  131.416  434.808   87.662  356.388   93.371 78.41968 128.0736 
1 1 1    6   11   17 o  622.674   82.589  883.718  195.869  1037.49  291.283  756.797  264.631  680.662  109.661  564.685  123.525 115.9779 165.1789 
1 1 1    6   11   18 o  291.784   60.939  186.292   73.829  184.510  112.416  187.643   97.901  290.610   89.932  292.958   82.257 -2.348022 121.8772 
1 1 1    6   11   19 o  206.538   52.326   76.761   50.681   91.980   90.202   69.740   61.266  221.741   80.599  191.334   66.753 30.40674 104.6524 
1 1 1    6   11   20 o  230.343   44.954   86.759   45.132  204.957   77.096   25.138   55.666  309.046   65.936  151.639   61.122 157.4068 89.90820 
1 1 1    6   11   21 o  118.573   57.217 -112.3559   79.491 -112.3559   79.491   0.0000   0.0000  118.573   57.217  ?   ?       ?      ? 
1 1 1    6   11   22 o  600.172   32.943  718.689   77.156  718.689   77.156   0.0000   0.0000  600.172   32.943  ?   ?       ?      ? 
1 1 1    6   11   23 o  373.695   52.439  345.799   44.932  354.433   47.391  269.027  141.319  421.881   28.786  325.509  100.850 96.37170 104.8772 
1 1 1    6   11   24 o  204.104   41.642   93.787   24.868   97.150   25.816   50.485   92.627  220.197   30.043  188.010   77.678 32.18721 83.28490 
1 1 1    6   11   26 o  202.468   45.157   83.417   24.356   83.992   24.942   71.617  113.027  203.600   31.393  201.335   84.683 2.264908 90.31472 
1 1 1    6   11   27 f  147.711   41.970   34.082   16.850   35.377   17.023 -28.7950  118.600  129.290   33.476  166.133   76.975 -36.84390 83.93918 
1 1 1    6   11   28 o  314.608   57.693  314.744   82.443  373.805   93.058   99.252  177.754  407.290   58.549  221.926   99.429 185.3641 115.3868 
1 1 1    6   11   29 o  241.127   65.721  160.117   75.742  152.884   82.566  198.528  190.265  238.986   77.478  243.268  106.179 -4.282364 131.4418 
1 1 1    6   11   30 o  225.657   55.863   99.909   29.958   96.391   30.359  230.623  185.070  210.483   38.374  240.831  104.929 -30.34811 111.7255 
1 1 1    6   11   31 o  206.308   48.806   98.753   29.099   98.968   29.547   91.791  167.805  216.434   34.983  196.183   91.129 20.25084 97.61286 
1 1 1    6   11   32 f  263.471   52.010  214.051   44.520  217.633   45.680  146.188  198.824  319.303   36.660  207.639   97.345 111.6643 104.0191 
1 1 1    6   11   33 o  199.631   42.441  116.395   33.063  125.072   33.808 -73.8758  158.307  242.015   35.797  157.248   76.965 84.76688 84.88256 
1 1 1    6   12    0 f  233.275   70.495  114.253   69.602  114.253   69.602   0.0000   0.0000  233.275   70.495  ?   ?       ?      ? 
1 1 1    6   12    1 o  498.615   66.982  511.388  130.334  511.388  130.334   0.0000   0.0000  498.615   66.982  ?   ?       ?      ? 
1 1 1    6   12    2 o  702.776   81.778  1040.76  224.277  1040.76  224.277   0.0000   0.0000  702.776   81.778  ?   ?       ?      ? 
1 1 1    6   12    3 o  938.383  104.027  1936.51  380.941  1936.51  380.941   0.0000   0.0000  938.383  104.027  ?   ?       ?      ? 
1 1 1    6   12    4 o  284.020   58.020  168.875   62.134  168.875   62.134   0.0000   0.0000  284.020   58.020  ?   ?       ?      ? 
1 1 1    6   12    5 o  754.481   86.272  1203.24  254.009  1203.24  254.009   0.0000   0.0000  754.481   86.272  ?   ?       ?      ? 
1 1 1    6   12    6 o  724.373   79.044  1183.93  202.717  1215.62  250.020  1123.11  346.335  760.526   84.242  688.219  133.773 72.30670 158.0885 
1 1 1    6   12    7 o  614.115   69.949  843.284  152.201  900.484  189.652  739.786  255.109  660.792   73.546  567.438  119.006 93.35339 139.8983 
1 1 1    6   12    8 o  610.669  118.274  849.144  271.674   0.0000   0.0000  849.144  271.674  ?   ?   610.669  118.274      ?      ? 
1 1 1    6   12    9 o  419.991   55.853  375.071   84.065  382.314  103.065  360.674  145.306  434.659   60.762  405.322   93.734 29.33731 111.7053 
1 1 1    6   12   10 o  264.632   47.701  149.589   47.577  155.374   57.958  137.636   83.310  273.245   56.229  256.020   77.070 17.22452 95.40215 
1 1 1    6   12   11 o  644.685   70.504  887.393  161.667  863.043  196.566  938.298  284.212  645.584   78.023  643.787  117.456 1.796936 141.0086 
1 1 1    6   12   12 o  181.548   40.640   65.888   31.471   68.415   38.949   61.134   53.415  182.386   52.120  180.709   62.370 1.677628 81.28013 
1 1 1    6   12   13 o  394.335   55.272  331.711   79.018  338.135   97.336  319.296  135.322  408.132   61.114  380.538   92.114 27.59427 110.5439 
1 1 1    6   12   14 o  185.204   41.090   69.929   33.200   79.380   42.961   55.916   52.313  195.470   54.351  174.937   61.640 20.53275 82.18009 
1 1 1    6   12   15 o  551.459   71.924  629.749  154.782  629.749  154.782   0.0000   0.0000  551.459   71.924  ?   ?       ?      ? 
1 1 1    6   12   16 o  415.401   58.458  383.233   90.387  430.462  117.111  313.653  142.148  457.720   65.564  373.082   96.802 84.63791 116.9158 
1 1 1    6   12   17 o  645.635   90.847  1001.73  220.796  1022.96  316.396  981.591  308.268  652.062  128.908  639.209  128.045 12.85333 181.6945 
1 1 1    6   12   18 o  604.731  125.490  882.896  286.444  882.896  286.444   0.0000   0.0000  604.731  125.490  ?   ?       ?      ? 
1 1 1    6   12   19 o  301.168   95.933  203.790  127.009  203.790  127.009   0.0000   0.0000  301.168   95.933  ?   ?       ?      ? 
1 1 1    6   12   20 o  321.661  105.081  244.005  151.757  244.005  151.757   0.0000   0.0000  321.661  105.081  ?   ?       ?      ? 
1 1 1    6   12   21 f  683.222   57.397  971.612  153.031  971.612  153.031   0.0000   0.0000  683.222   57.397  ?   ?       ?      ? 
1 1 1    6   12   22 o  346.174   60.338  289.367   80.893  317.446  105.089  248.537  126.724  374.515   74.526  317.832   94.913 56.68256 120.6756 
1 1 1    6   12   23 o  345.844   52.120  325.659   44.261  340.161   46.706  197.928  138.615  412.588   29.009  279.101  100.123 133.4875 104.2405 
1 1 1    6   12   24 o  185.225   37.411   90.469   25.800  101.785   26.730 -63.8222   98.699  224.912   30.454  145.537   68.344 79.37518 74.82223 
1 1 1    6   12   25 o  419.848   66.190  492.182  101.824  533.968  122.347  398.011  183.669  486.105   64.496  353.590  115.607 132.5150 132.3805 
1 1 1    6   12   26 o  191.420   44.541   75.864   24.090   76.980   24.682   53.442  110.652  191.581   34.272  191.258   82.227 0.3233032 89.08298 
1 1 1    6   12   27 o  231.701   62.385  142.561   82.052  177.669   98.784   64.442  147.353  257.463   84.812  205.940   91.513 51.52367 124.7705 
1 1 1    6   12   28 o  166.255   54.362  -3.2771   74.118  -3.3552   85.948  -3.0506  146.394  150.570   68.149  181.940   84.714 -31.36934 108.7231 
1 1 1    6   12   29 o  315.426   62.705  339.453   87.915  364.688   97.580  230.655  202.615  388.164   64.419  242.688  107.601 145.4753 125.4104 
1 1 1    6   12   30 o  249.960   57.394  134.341   34.419  129.023   34.974  298.115  194.090  246.684   36.330  253.235  108.888 -6.551620 114.7889 
1 1 1    6   12   31 o  302.656  135.304  804.322  327.260   0.0000   0.0000  804.322  327.260  ?   ?   302.656  135.304      ?      ? 
1 1 1    6   12   32 o  289.391   49.557  314.868   77.091  390.701   84.931 -39.9047  183.702  407.810   53.367  170.972   83.518 236.8378 99.11304 
1 1 1    6   12   33 o  224.233   44.782  149.444   32.940  154.275   33.771   54.909  149.396  270.717   31.967  177.749   83.664 92.96887 89.56321 
1 1 1    6   13    0 o  449.923   57.432  437.003   92.892  455.461  115.351  402.946  156.684  473.333   62.448  426.513   96.404 46.81992 114.8631 
1 1 1    6   13    1 o  406.771   54.096  341.311   79.528  326.432   97.175  371.489  138.394  400.820   62.126  412.721   88.577 -11.90170 108.1919 
1 1 1    6   13    2 o  440.630   55.907  398.319   88.536  375.626  107.564  445.991  155.902  429.440   64.185  451.819   91.557 -22.37842 111.8139 
1 1 1    6   13    3 o  445.510   58.317  426.671   93.154  438.303  114.689  404.118  159.690  464.254   63.304  426.767   97.959 37.48602 116.6337 
1 1 1    6   13    4 o  123.117   32.063   23.281   18.767   21.615   22.176   27.484   35.227  112.440   40.078  133.794   50.059 -21.35452 64.12618 
1 1 1    6   13    5 o  340.511   43.174  238.626   56.090  248.098   78.335  228.661   80.350  350.774   57.227  330.248   64.661 20.52545 86.34779 
1 1 1    6   13    6 f  226.780   39.729  106.698   34.843   98.914   46.743  116.432   52.271  217.712   54.999  235.848   57.348 -18.13591 79.45888 
1 1 1    6   13    7 o  677.179   55.991  949.399  147.671  1033.53  212.837  871.305  205.057  707.085   77.134  647.272   81.182 59.81378 111.9823 
1 1 1    6   13    8 o  236.656   46.892  118.433   44.779  106.521   70.677  126.421   57.879  227.953   71.435  245.359   60.766 -17.40601 93.78415 
1 1 1    6   13    9 o  477.963   58.543  472.591   99.709  453.401  120.725  513.772  176.853  471.953   65.549  483.972   97.018 -12.01895 117.0863 
1 1 1    6   13   10 o  454.541   58.369  438.190   94.729  439.263  115.738  436.013  164.878  464.853   63.801  444.229   97.761 20.62436 116.7384 
1 1 1    6   13   11 o  445.949   57.154  412.752   91.044  397.166  110.357  445.968  161.102  441.635   64.033  450.263   94.689 -8.628815 114.3076 
1 1 1    6   13   12 o  269.445   59.266  152.472   60.623  152.472   60.623   0.0000   0.0000  269.445   59.266  ?   ?       ?      ? 
1 1 1    6   13   13 o  448.594   64.704  411.674  113.270  411.674  113.270   0.0000   0.0000  448.594   64.704  ?   ?       ?      ? 
1 1 1    6   13   14 o  707.065   83.490  1057.28  230.369  1057.28  230.369   0.0000   0.0000  707.065   83.490  ?   ?       ?      ? 
1 1 1    6   13   15 o  727.483   86.325  1128.51  245.069  1128.51  245.069   0.0000   0.0000  727.483   86.325  ?   ?       ?      ? 
1 1 1    6   13   16 o  490.608   75.489  504.197  144.527  504.197  144.527   0.0000   0.0000  490.608   75.489  ?   ?       ?      ? 
1 1 1    6   13   17 o  307.669   83.462  209.293  102.751  209.293  102.751   0.0000   0.0000  307.669   83.462  ?   ?       ?      ? 
1 1 1    6   13   18 o  480.286  112.910  551.713  208.057  551.713  208.057   0.0000   0.0000  480.286  112.910  ?   ?       ?      ? 
1 1 1    6   13   19 o  324.558  100.898  247.762  141.319  247.762  141.319   0.0000   0.0000  324.558  100.898  ?   ?       ?      ? 
1 1 1    6   13   20 o  530.497  133.741  768.551  276.799  768.551  276.799   0.0000   0.0000  530.497  133.741  ?   ?       ?      ? 
1 1 1    6   13   21 o  189.086   52.037   41.624   51.966  115.800   96.624   11.438   61.640  232.107   83.558  146.065   62.043 86.04285 104.0738 
1 1 1    6   13   22 o  554.278   66.906  674.842  144.718  674.842  144.718   0.0000   0.0000  554.278   66.906  ?   ?       ?      ? 
1 1 1    6   13   23 o  340.869   64.015  305.852   87.055  334.646  111.103  260.058  140.112  373.521   78.705  308.217  100.982 65.30475 128.0307 
1 1 1    6   13   25 o  175.168   53.827  -3.3570   72.272  104.842  109.695 -86.3459   96.070  215.334   86.151  135.001   64.556 80.33331 107.6546 
1 1 1    6   13   26 f  391.029   64.330  469.949  102.226  565.203  124.346  271.344  179.552  496.243   64.211  285.816  111.491 210.4267 128.6596 
1 1 1    6   13   27 f  238.201   48.532  144.202   31.621  147.305   32.368   79.239  148.096  268.773   30.860  207.629   92.028 61.14400 97.06406 
1 1 1    6   13   28 o  148.303   43.832   33.444   18.404   34.394   18.576 -17.0926  135.463  126.451   35.946  170.155   79.957 -43.70407 87.66490 
1 1 1    6   13   29 o  164.234   40.943   64.270   24.679   69.590   25.100 -90.0312  135.184  178.432   37.250  150.037   72.922 28.39531 81.88532 
1 1 1    6   13   30 o  226.541   45.922  151.896   32.597  157.010   33.097 -13.8010  188.388  274.836   30.859  178.245   86.505 96.59039 91.84478 
1 1 1    6   13   31 o  292.711   31.099  178.564   35.523  178.564   35.523   0.0000   0.0000  292.711   31.099  ?   ?       ?      ? 
1 1 1    6   13   32 o  221.060   45.706  135.550   30.948  138.123   31.665   80.655  146.246  256.659   31.615  185.461   85.770 71.19806 91.41117 
1 1 1    6   14    0 o  859.092   90.358  1697.35  275.612  1735.76  340.954  1624.95  468.176  901.675   96.898  816.509  152.541 85.16632 180.7155 
1 1 1    6   14    1 o  344.964   52.862  244.878   66.030  226.698   80.682  281.752  114.902  328.746   65.193  361.182   83.231 -32.43591 105.7237 
1 1 1    6   14    2 o  120.115   30.877   23.938   18.717   29.653   23.540   14.115   30.862  125.132   41.411  115.098   45.812 10.03340 61.75464 
1 1 1    6   14    3 o  533.278   61.201  581.755  116.473  542.575  140.482  667.908  208.318  514.912   69.913  551.643  100.471 -36.73041 122.4017 
1 1 1    6   14    4 o  230.560   45.180  106.511   39.939   97.341   48.341  126.232   70.890  215.997   56.649  245.123   70.398 -29.12563 90.36048 
1 1 1    6   14    5 o  770.882   60.935  1237.54  182.493  1090.45  248.299  1410.34  269.126  720.006   88.370  821.758   83.923 -101.7524 121.8702 
1 1 1    6   14    6 o  783.123   61.761  1284.01  188.313  1172.55  258.812  1409.40  274.510  746.136   88.886  820.110   85.774 -73.97375 123.5229 
1 1 1    6   14    7 o  240.471   42.554  122.202   39.807  130.970   53.518  111.343   59.556  250.416   56.151  230.526   63.955 19.89050 85.10709 
1 1 1    6   14    8 f  331.143   53.554  236.878   66.135  222.366  108.293  245.510   83.519  319.988   85.206  342.297   64.899 -22.30911 107.1076 
1 1 1    6   14    9 o  462.454   58.222  440.876   95.714  418.029  115.285  491.562  171.711  452.662   65.263  472.246   96.436 -19.58374 116.4436 
1 1 1    6   14   10 o  607.917   67.466  788.976  145.676  765.987  176.845  837.507  256.946  608.121   74.519  607.713  112.489 0.4084473 134.9328 
1 1 1    6   14   11 o  631.937   70.583  863.099  158.180  839.418  191.984  913.154  279.121  634.366   77.552  629.508  117.956 4.858215 141.1662 
1 1 1    6   14   12 o  199.190   44.616   76.993   36.339   71.773   43.172   89.682   67.303  186.766   55.314  211.614   70.020 -24.84789 89.23210 
1 1 1    6   14   13 f  428.873   70.226  415.161  115.224  412.340  163.610  417.937  162.299  427.052   99.944  430.694   98.680 -3.642242 140.4518 
1 1 1    6   14   14 o  289.307   59.486  181.893   71.499  207.815  102.921  157.713   99.402  307.635   83.564  270.979   84.684 36.65616 118.9717 
1 1 1    6   14   15 o  314.404   61.987  219.474   79.952  177.074  113.805  260.794  112.348  285.248   90.804  343.560   84.405 -58.31183 123.9743 
1 1 1    6   14   16 o  189.669   45.815   66.399   42.043   97.645   60.752   37.681   58.242  215.918   65.996  163.421   63.567 52.49681 91.63100 
1 1 1    6   14   17 f  166.413   44.804   39.226   39.863   64.033   63.693   23.251   51.111  187.169   67.774  145.658   58.619 41.51088 89.60751 
1 1 1    6   14   18 o   95.071   33.436 -53.0345   16.560   4.3925   65.387 -56.9704   17.118  147.576   63.321   42.566   21.500 105.0103 66.87167 
1 1 1    6   14   19 o  260.341   61.428  136.270   69.791  212.435  123.930  100.897   84.456  299.605   94.692  221.077   78.275 78.52821 122.8561 
1 1 1    6   14   20 o  186.360   53.399   47.364   52.232   63.308  111.271   42.858   59.154  207.986   85.447  164.734   64.067 43.25241 106.7976 
1 1 1    6   14   21 o  198.900   57.460   63.098   61.647   54.552  135.599   65.324   69.213  212.223   91.127  185.576   70.020 26.64737 114.9208 
1 1 1    6   14   22 o  330.582   73.088  297.474  103.926  349.328  159.783  259.451  136.822  351.857  106.918  309.307   99.681 42.54984 146.1769 
1 1 1    6   14   23 o  393.375   63.580  388.890  104.117  638.854  159.638  203.852  137.349  515.301   79.386  271.450   99.336 243.8502 127.1605 
1 1 1    6   14   24 o  192.863   58.048   56.851   77.752   12.470  124.014   85.595   99.804  182.649   82.338  203.078   81.847 -20.42834 116.0968 
1 1 1    6   14   25 o  254.701   97.484  183.809  135.375   0.0000   0.0000  183.809  135.375  ?   ?   254.701   97.484      ?      ? 
1 1 1    6   14   26 o  227.932   47.017  133.959   32.460  138.956   33.340   42.993  142.250  260.458   32.801  195.407   88.128 65.05072 94.03432 
1 1 1    6   14   27 o  165.585   45.967   49.011   21.071   50.308   21.267 -20.4023  155.638  152.531   36.260  178.639   84.482 -26.10806 91.93465 
1 1 1    6   14   28 o  323.992   51.285  348.293   83.036  498.476  101.791   49.582  143.558  462.028   56.456  185.955   85.636 276.0725 102.5708 
1 1 1    6   14   29 o  164.794   40.097   62.728   23.016   65.569   23.678   14.096   97.959  173.160   36.205  156.427   71.556 16.73358 80.19412 
1 1 1    6   14   30 o  210.392   42.424  121.853   28.399  126.327   29.261   49.253  117.861  246.615   30.404  174.169   79.213 72.44571 84.84756 
1 1 1    6   14   31 o  290.070   30.798  175.544   34.862  175.544   34.862   0.0000   0.0000  290.070   30.798  ?   ?       ?      ? 
1 1 1    6   14   32 o  169.718   37.016   79.639   23.853   86.608   24.239 -133.8801  134.174  203.296   30.553  136.141   67.433 67.15573 74.03199 
1 1 1    6   15    0 o  571.314   80.714  736.780  173.528  770.480  251.710  706.257  239.553  583.762  114.584  558.866  113.709 24.89618 161.4288 
1 1 1    6   15    1 o  237.257   53.837  115.067   56.068  111.675   86.979  117.479   73.339  236.747   79.628  237.767   72.477 -1.019852 107.6732 
1 1 1    6   15    2 o  368.234   63.806  294.951   90.903  328.512  133.926  266.279  123.784  387.677   90.218  348.792   90.252 38.88434 127.6116 
1 1 1    6   15    3 o  631.833   86.179  915.567  204.778  891.193  288.260  940.399  290.958  622.228  123.074  641.437  120.665 -19.20941 172.3582 
1 1 1    6   15    4 o  335.867   61.735  245.348   81.688  264.861  118.184  227.498  113.035  348.518   87.131  323.216   87.481 25.30151 123.4694 
1 1 1    6   15    5 o  349.509   53.842  265.533   70.372  225.684  116.252  288.581   88.411  321.514   89.410  377.505   60.014 -55.99075 107.6838 
1 1 1    6   15    6 o  225.126   45.984  108.675   44.019   69.016   69.609  135.103   56.824  196.538   70.900  253.715   58.578 -57.17722 91.96877 
1 1 1    6   15    7 o  308.056   67.557  201.230   78.978   0.0000   0.0000  201.230   78.978  ?   ?   308.056   67.557      ?      ? 
1 1 1    6   15    8 o  335.838   54.377  244.872   68.475  231.018  110.100  253.612   87.444  324.985   85.618  346.691   67.058 -21.70569 108.7535 
1 1 1    6   15    9 f  547.349   79.537  685.788  164.153  667.859  228.359  704.959  236.132  540.087  112.022  554.611  112.940 -14.52399 159.0733 
1 1 1    6   15   10 o  358.350   62.547  278.655   86.964  230.333  115.973  340.732  131.447  323.064   89.100  393.636   87.804 -70.57205 125.0935 
1 1 1    6   15   11 o  359.497   54.412  275.744   69.896  277.062   83.610  272.687  127.370  369.289   58.018  349.705   92.069 19.58377 108.8241 
1 1 1    6   15   12 o  355.946   56.598  285.495   73.808  310.872   89.126  230.105  131.674  390.858   58.432  321.034   96.949 69.82443 113.1963 
1 1 1    6   15   13 o  284.879   52.068  184.076   58.349  212.848   72.442  130.929   98.455  318.170   60.556  251.587   84.718 66.58365 104.1353 
1 1 1    6   15   14 o  795.304   92.686  1378.33  287.660  1378.33  287.660   0.0000   0.0000  795.304   92.686  ?   ?       ?      ? 
1 1 1    6   15   15 o  445.066   68.685  413.133  119.293  413.133  119.293   0.0000   0.0000  445.066   68.685  ?   ?       ?      ? 
1 1 1    6   15   16 o  718.098   87.039  1303.27  222.000  1460.73  282.680  1049.85  358.604  814.806   88.901  621.390  149.665 193.4160 174.0775 
1 1 1    6   15   17 o  545.052   75.928  641.145  161.500  641.145  161.500   0.0000   0.0000  545.052   75.928  ?   ?       ?      ? 
1 1 1    6   15   18 o  103.038   35.857 -54.3923   23.836 -13.6491   75.685 -58.8783   25.114  147.631   65.595   58.446   28.989 89.18536 71.71477 
1 1 1    6   15   19 o  227.540   67.500   57.242   61.710  184.900  210.518   45.241   64.545  285.102  117.376  169.979   66.695 115.1225 135.0009 
1 1 1    6   15   20 o  172.008   59.240 -16.8704   44.123   19.075  223.844 -18.3235   45.006  234.866  107.705  109.150   49.366 125.7163 118.4798 
1 1 1    6   15   21 o  345.449  102.123  327.811  147.268   0.0000   0.0000  327.811  147.268  ?   ?   345.449  102.123      ?      ? 
1 1 1    6   15   22 o  194.964   59.829   54.900   73.059 -22.7046  182.405   69.729   79.734  201.087   93.940  188.841   74.117 12.24596 119.6582 
1 1 1    6   15   23 o  200.219   63.656   12.356   74.708  183.838  191.354 -18.4833   81.149  256.164  109.075  144.274   65.660 111.8905 127.3124 
1 1 1    6   15   24 o  256.967  113.825  195.288  226.213  195.288  226.213   0.0000   0.0000  256.967  113.825  ?   ?       ?      ? 
1 1 1    6   15   25 o  192.510   51.085   63.504   64.787  154.910   82.027 -88.0868  105.634  244.949   76.989  140.072   67.168 104.8773 102.1710 
1 1 1    6   15   26 o  155.945   40.480   50.136   20.566   53.361   20.887 -52.1436  117.634  157.715   34.864  154.174   73.069 3.540421 80.96032 
1 1 1    6   15   27 o  156.745   40.067   55.634   23.072   60.676   23.473 -88.1509  125.353  166.749   37.036  146.741   71.061 20.00836 80.13368 
1 1 1    6   15   28 o  165.085   39.330   67.414   23.706   72.603   24.239 -46.8333  113.738  183.009   35.218  147.162   70.335 35.84708 78.65910 
1 1 1    6   15   29 o  274.473   61.747  249.798   73.549  250.708   83.471  246.639  155.540  304.813   71.422  244.132  100.745 60.68187 123.4933 
1 1 1    6   15   30 o  129.859   40.409   22.631   16.182   23.430   16.335 -19.6863  118.805  105.768   34.471  153.951   73.099 -48.18316 80.81879 
1 1 1    6   15   31 o  176.810   43.423   77.715   26.307   80.729   26.723 -16.9342  149.762  191.018   37.187  162.602   78.482 28.41541 86.84651 
1 1 1    6   16    0 o  727.238   74.002  1132.61  197.128  1087.81  239.475  1226.76  347.176  718.427   85.417  736.049  120.868 -17.62231 148.0040 
1 1 1    6   16    1 o  629.309   86.036  916.130  203.641  908.133  286.809  924.260  289.188  626.440  121.708  632.178  121.638 -5.738464 172.0716 
1 1 1    6   16    2 o  120.344   33.200   15.237   20.523   9.6554   24.073   30.088   39.266  100.307   40.278  140.382   52.787 -40.07462 66.39909 
1 1 1    6   16    3 o  514.589   70.668  575.270  138.655  471.057  186.668  703.537  207.093  455.489  106.860  573.689   92.503 -118.2003 141.3363 
1 1 1    6   16    4 o  226.519   50.607  105.298   49.832  102.623   66.696  108.678   74.977  222.938   69.317  230.101   73.752 -7.162903 101.2136 
1 1 1    6   16    5 o  218.969   46.033   89.137   41.948   58.606   52.225  144.644   70.418  177.318   61.644  260.621   68.381 -83.30400 92.06541 
1 1 1    6   16    6 o  215.865   44.077   93.837   40.161   63.158   54.148  131.351   59.877  182.518   62.807  249.213   61.858 -66.69482 88.15408 
1 1 1    6   16    7 o  287.360   53.152  178.903   60.504  159.157   88.070  196.553   83.264  272.042   78.564  302.678   71.611 -30.63632 106.3039 
1 1 1    6   16    8 o  324.546   44.431  124.775   50.155   47.622   55.480  469.858  117.333  169.676   62.953  479.415   62.716 -309.7388 88.86120 
1 1 1    6   16    9 o  281.370   60.043  167.574   69.431  155.958   86.889  188.092  115.482  269.114   78.127  293.626   91.197 -24.51248 120.0869 
1 1 1    6   16   10 o  298.302   61.410  189.363   74.048  167.770   93.581  225.520  121.098  278.155   81.175  318.449   92.171 -40.29480 122.8207 
1 1 1    6   16   12 o  478.668  106.357  529.665  193.510  529.665  193.510   0.0000   0.0000  478.668  106.357  ?   ?       ?      ? 
1 1 1    6   16   13 o  478.418  111.808  541.912  204.990   0.0000   0.0000  541.912  204.990  ?   ?   478.418  111.808      ?      ? 
1 1 1    6   16   14 o  524.629  116.004  664.906  231.188   0.0000   0.0000  664.906  231.188  ?   ?   524.629  116.004      ?      ? 
1 1 1    6   16   15 o  360.858   70.588  303.784  103.217  371.507  154.352  249.002  138.823  396.399   99.836  325.317   99.817 71.08209 141.1762 
1 1 1    6   16   16 o  194.559   53.192   19.264   59.037  145.200  104.397 -39.9456   71.583  256.352   87.232  132.766   60.893 123.5859 106.3832 
1 1 1    6   16   17 o  223.087   55.267  104.954   59.667  121.123   85.443   89.563   83.360  234.668   78.922  211.505   77.390 23.16312 110.5340 
1 1 1    6   16   18 o  230.915   57.577  113.805   64.275  148.153   99.192   88.944   84.390  252.432   85.034  209.398   77.651 43.03380 115.1542 
1 1 1    6   16   19 f  321.692   63.313  245.190   84.661  372.729  133.117  158.562  109.708  387.694   89.757  255.689   89.320 132.0056 126.6265 
1 1 1    6   16   20 o  145.328   48.394 -45.3171   43.584   42.955  123.425 -57.8920   46.585  197.494   85.871   93.163   44.656 104.3305 96.78815 
1 1 1    6   16   21 o  226.883   62.841   81.527   73.678  233.060  145.999   29.751   85.342  284.426  102.669  169.339   72.491 115.0867 125.6821 
1 1 1    6   16   22 o  254.720   72.130  177.257  102.618  162.527  216.032  181.549  116.614  250.866  111.172  258.574   91.932 -7.708847 144.2595 
1 1 1    6   16   23 o  174.378   57.765  -1.3311   69.791 -16.0488  196.260   0.7995   74.672  202.369   95.447  146.388   65.093 55.98172 115.5304 
1 1 1    6   16   24 o  111.591   38.215 -90.5919   51.114 -97.6674   70.285 -82.6491   74.468  107.526   52.334  115.655   55.701 -8.128952 76.42930 
1 1 1    6   16   25 o  119.144   40.195 -78.5546   54.964 -16.4642   66.829 -208.3710   96.631  129.629   59.223  108.660   54.361 20.96931 80.38972 
1 1 1    6   16   26 o  154.014   50.693  -7.1643   67.197  -9.3146   79.042  -1.5589  127.618  139.901   64.099  168.126   78.553 -28.22508 101.3870 
1 1 1    6   16   27 o  214.509   52.840  141.816   64.280  183.257   72.904  -2.9208  136.245  261.567   70.030  167.451   79.145 94.11546 105.6797 
1 1 1    6   16   28 o  240.186   43.916  182.004   33.769  190.676   34.744   34.000  143.536  303.684   29.318  176.689   82.795 126.9946 87.83253 
1 1 1    6   16   29 o  219.407   39.789  160.038   31.874  172.241   32.546 -126.2128  157.629  288.634   28.895  150.179   74.148 138.4552 79.57883 
1 1 1    6   16   30 o  124.424   37.258   34.182   19.508   34.182   19.508   0.0000   0.0000  124.424   37.258  ?   ?       ?      ? 
1 1 1    6   17    0 o  743.381   83.853  1303.18  221.447  1411.89  279.313  1119.20  363.359  813.898   87.941  672.865  142.800 141.0331 167.7061 
1 1 1    6   17    1 o  665.345   75.303  997.776  178.892  1022.15  221.965  952.595  302.189  696.541   81.659  634.149  126.546 62.39197 150.6056 
1 1 1    6   17    2 o  520.427   62.588  570.154  116.680  541.248  141.826  630.691  205.250  511.402   71.066  529.452  103.048 -18.04968 125.1769 
1 1 1    6   17    3 o  611.869   68.436  813.299  149.532  799.242  183.096  841.452  259.119  618.872   75.814  604.866  113.957 14.00647 136.8715 
1 1 1    6   17    4 o  711.342   78.606  1143.39  197.879  1146.37  242.309  1137.41  342.858  735.186   84.458  687.498  132.600 47.68781 157.2124 
1 1 1    6   17    5 o  788.590  102.386  1519.76  307.238  1317.11  413.319  1770.01  459.311  719.053  152.049  858.128  137.159 -139.0748 204.7715 
1 1 1    6   17    6 o  374.518   50.901  298.681   71.460  311.072   93.235  281.039  111.254  390.256   61.221  358.781   81.337 31.47583 101.8024 
1 1 1    6   17    7 o  522.180   65.797  616.817  126.703  479.436  191.256  724.269  169.145  454.934  109.131  589.426   73.536 -134.4916 131.5942 
1 1 1    6   17    8 o  203.512   48.575   72.992   38.827   66.105   43.406  100.565   86.854  180.286   55.898  226.738   79.458 -46.45168 97.15015 
1 1 1    6   17    9 o  453.378   62.865  427.397   97.397  400.904  113.294  502.435  190.666  440.792   65.863  465.964  107.099 -25.17139 125.7304 
1 1 1    6   17   10 o  830.559   94.579  1511.91  306.547  1511.91  306.547   0.0000   0.0000  830.559   94.579  ?   ?       ?      ? 
1 1 1    6   17   11 o  479.747   67.588  478.865  126.535  478.865  126.535   0.0000   0.0000  479.747   67.588  ?   ?       ?      ? 
1 1 1    6   17   12 o  577.859   74.947  708.630  169.008  708.630  169.008   0.0000   0.0000  577.859   74.947  ?   ?       ?      ? 
1 1 1    6   17   13 o  343.836   63.573  269.278   79.673  269.525   92.702  268.578  155.846  352.269   69.902  335.402  106.207 16.86633 127.1464 
1 1 1    6   17   14 o  312.750   61.249  237.939   78.845  277.695   96.768  159.415  135.997  354.924   72.320  270.576   98.872 84.34863 122.4985 
1 1 1    6   17   15 o  174.377   48.153   38.987   51.462   83.229   66.866 -25.2968   80.600  201.480   69.768  147.275   66.386 54.20482 96.30569 
1 1 1    6   17   16 o  234.517   56.531  119.799   67.000  174.099   88.384   46.442  102.730  274.009   78.580  195.025   81.289 78.98384 113.0613 
1 1 1    6   17   17 o  242.216   56.818  131.410   68.810  201.293   93.586   49.170  101.523  290.934   79.958  193.498   80.745 97.43596 113.6358 
1 1 1    6   17   18 o  346.519   65.890  312.912   94.861  405.619  133.399  218.076  134.922  405.931   86.837  287.108   99.123 118.8234 131.7807 
1 1 1    6   17   19 o  373.944   68.918  372.332  107.456  545.573  160.188  230.597  144.891  461.100   92.245  286.788  102.419 174.3117 137.8359 
1 1 1    6   17   20 o  152.103   49.604 -11.3001   54.963 -32.6037  128.728  -6.5504   60.783  172.548   80.034  131.658   58.624 40.89038 99.20823 
1 1 1    6   17   21 o  258.501   68.446  169.986   89.149  258.901  154.205  125.351  109.258  290.992  105.442  226.011   87.300 64.98088 136.8920 
1 1 1    6   17   22 o  153.245   49.955 -52.8019   63.050   59.122  115.249 -100.6062   75.320  194.144   83.694  112.346   54.563 81.79817 99.90919 
1 1 1    6   17   23 o  163.786   56.460 -61.0243   77.972 -29.5709  205.511 -66.3133   84.273  198.570   94.805  129.003   61.344 69.56726 112.9201 
1 1 1    6   17   24 o  356.446   69.111  371.670   90.319  350.232  103.026  442.857  187.737  371.675   73.635  341.217  116.975 30.45761 138.2215 
1 1 1    6   17   25 o  257.245   65.880  185.310   75.942  142.305   87.554  315.942  152.596  223.701   79.645  290.790  104.964 -67.08928 131.7598 
1 1 1    6   17   26 o  216.932   57.815  140.470   64.519  143.634   73.884  130.306  132.409  226.919   73.263  206.944   89.459 19.97455 115.6304 
1 1 1    6   17   27 f  112.391   52.976 -36.0726   60.286 -36.0726   60.286   0.0000   0.0000  112.391   52.976  ?   ?       ?      ? 
1 1 1    6   17   28 o  335.412   32.041  235.542   41.938  235.542   41.938   0.0000   0.0000  335.412   32.041  ?   ?       ?      ? 
1 1 1    6   17   29 o  118.661   35.198   30.762   17.472   30.762   17.472   0.0000   0.0000  118.661   35.198  ?   ?       ?      ? 
1 1 1    6   18    0 o  282.563   53.681  178.623   60.785  204.976   76.914  134.782   99.206  310.530   65.530  254.596   85.044 55.93414 107.3619 
1 1 1    6   18    1 o  823.023   89.978  1592.66  262.108  1585.12  321.267  1607.66  453.278  851.992   96.627  794.054  151.813 57.93793 179.9551 
1 1 1    6   18    2 o  266.701   54.841  153.745   57.977  159.047   69.426  141.527  105.392  272.866   65.934  260.537   87.652 12.32877 109.6820 
1 1 1    6   18    3 o  331.056   57.380  240.667   70.073  244.080   84.651  233.238  124.900  339.142   66.338  322.970   93.644 16.17148 114.7604 
1 1 1    6   18    4 o  456.021   61.798  435.702   99.232  409.565  118.072  498.567  183.119  444.938   68.001  467.105  103.209 -22.16690 123.5968 
1 1 1    6   18    5 o  403.440   56.431  308.791   76.429  260.960   87.530  462.300  156.809  350.703   66.388  456.177   91.273 -105.4738 112.8629 
1 1 1    6   18    6 o  766.852   87.754  1266.93  262.608  1266.93  262.608   0.0000   0.0000  766.852   87.754  ?   ?       ?      ? 
1 1 1    6   18    7 o  504.076   68.470  528.153  134.688  528.153  134.688   0.0000   0.0000  504.076   68.470  ?   ?       ?      ? 
1 1 1    6   18    8 o  171.979   48.255   34.354   33.489   31.018   35.569   60.399   99.375  137.108   50.494  206.850   82.246 -69.74168 96.50962 
1 1 1    6   18    9 o  623.856   77.826  829.380  189.471  829.380  189.471   0.0000   0.0000  623.856   77.826  ?   ?       ?      ? 
1 1 1    6   18   10 o  259.529   59.839  112.993   50.818   99.539   54.274  208.631  144.710  216.181   61.438  302.877  102.704 -86.69624 119.6781 
1 1 1    6   18   11 o  560.403   74.889  673.407  163.777  673.407  163.777   0.0000   0.0000  560.403   74.889  ?   ?       ?      ? 
1 1 1    6   18   12 o  749.086   92.530  1276.52  270.488  1276.52  270.488   0.0000   0.0000  749.086   92.530  ?   ?       ?      ? 
1 1 1    6   18   13 o  626.439   80.867  873.018  197.690  873.018  197.690   0.0000   0.0000  626.439   80.867  ?   ?       ?      ? 
1 1 1    6   18   14 o  365.568   69.298  316.581   93.126  296.343  109.036  371.153  179.047  357.907   80.070  373.228  113.128 -15.32132 138.5966 
1 1 1    6   18   15 o  252.115   59.253  152.953   70.643  184.986   87.035   91.106  120.936  281.094   77.050  223.136   90.038 57.95753 118.5052 
1 1 1    6   18   16 o  149.922   45.974 -15.0579   55.168   51.439   72.606 -105.8925   84.859  177.009   70.326  122.836   59.235 54.17252 91.94875 
1 1 1    6   18   17 o  218.681   55.654   77.150   75.627  205.577  101.814 -80.9335  112.959  285.598   85.026  151.764   71.832 133.8344 111.3075 
1 1 1    6   18   18 o  367.845   75.543  399.351  116.057  428.974  153.537  359.862  177.268  395.751   99.517  339.939  113.680 55.81207 151.0857 
1 1 1    6   18   19 o  348.625   71.418  345.396  109.448  499.241  161.819  215.674  148.591  425.003   99.349  272.248  102.625 152.7548 142.8361 
1 1 1    6   18   20 o  154.690   50.814 -55.2022   62.612   56.980  124.192 -93.4322   72.499  197.713   86.052  111.667   54.068 86.04575 101.6283 
1 1 1    6   18   21 o  177.895   55.310   27.413   72.072   63.098  117.108   5.6572   91.440  195.820   84.391  159.970   71.518 35.85062 110.6196 
1 1 1    6   18   22 o  149.464   48.983 -32.1438   67.131   4.7780  102.906 -59.4963   88.572  164.745   74.567  134.184   63.539 30.56126 97.96667 
1 1 1    6   18   23 o  159.536   52.123  -9.0970   74.960  -6.5912  117.400 -10.8218   97.399  165.604   76.678  153.469   70.624 12.13455 104.2465 
1 1 1    6   18   24 o  164.354   76.784  -4.4930  121.889  -4.4930  121.889   0.0000   0.0000  164.354   76.784  ?   ?       ?      ? 
1 1 1    6   18   25 o  120.872   58.189 -68.5028   81.070 -68.5028   81.070   0.0000   0.0000  120.872   58.189  ?   ?       ?      ? 
1 1 1    6   18   26 o  146.043   66.196   10.422   81.428   10.422   81.428   0.0000   0.0000  146.043   66.196  ?   ?       ?      ? 
1 1 1    6   18   27 o  133.618   44.027 -27.9941   59.050   22.656   71.255 -139.0476  105.510  145.067   64.089  122.168   60.383 22.89865 88.05373 
1 1 1    6   18   28 o  185.348   59.115   73.104   77.054   44.992   87.454  170.661  162.916  160.802   71.023  209.894   94.519 -49.09181 118.2292 
1 1 1    6   19    0 o  589.978   77.435  737.225  178.282  737.225  178.282   0.0000   0.0000  589.978   77.435  ?   ?       ?      ? 
1 1 1    6   19    1 o  531.598   71.910  592.171  149.178  592.171  149.178   0.0000   0.0000  531.598   71.910  ?   ?       ?      ? 
1 1 1    6   19    2 o  379.973   76.236  313.837  109.113  313.837  109.113   0.0000   0.0000  379.973   76.236  ?   ?       ?      ? 
1 1 1    6   19    3 o  341.489   72.154  252.457   93.142  252.457   93.142   0.0000   0.0000  341.489   72.154  ?   ?       ?      ? 
1 1 1    6   19    4 o  301.786   66.330  195.743   75.986  195.743   75.986   0.0000   0.0000  301.786   66.330  ?   ?       ?      ? 
1 1 1    6   19    5 o  293.935   65.537  185.837   73.259  185.837   73.259   0.0000   0.0000  293.935   65.537  ?   ?       ?      ? 
1 1 1    6   19    6 o  274.642   70.070  149.819   78.753  150.102   85.410  148.212  203.477  261.764   77.864  287.520  116.519 -25.75577 140.1406 
1 1 1    6   19    7 o  317.501   70.831  177.382   66.614  161.154   70.067  329.968  214.846  272.431   66.490  362.571  125.088 -90.13931 141.6614 
1 1 1    6   19    8 o  302.004   69.895  137.182   60.415  117.286   63.141  352.805  207.863  232.739   66.310  371.269  123.063 -138.5299 139.7910 
1 1 1    6   19    9 o  494.874  141.698  690.493  287.596   0.0000   0.0000  690.493  287.596  ?   ?   494.874  141.698      ?      ? 
1 1 1    6   19   10 o  193.397   88.563 -77.4537   11.567 -77.6269   11.601 -48.2568  150.615  ?   ?   193.397   88.563      ?      ? 
1 1 1    6   19   11 o  399.016   69.914  330.242   88.301  292.209   97.199  509.911  211.260  362.269   71.293  435.763  120.288 -73.49338 139.8278 
1 1 1    6   19   12 o  242.026   62.699  112.345   61.666  103.841   67.047  159.025  157.093  217.408   69.749  266.645  104.210 -49.23705 125.3981 
1 1 1    6   19   13 o  150.550   48.789  -4.7350   46.889   4.2917   50.118 -68.1127  132.799  128.933   55.383  172.167   80.337 -43.23378 97.57708 
1 1 1    6   19   14 o  140.575   46.843 -31.3154   51.030 -16.4951   55.363 -115.0148  131.570  122.723   55.197  158.426   75.699 -35.70348 93.68600 
1 1 1    6   19   15 o  137.971   46.250 -50.6250   57.335 -30.7909   64.555 -124.7147  124.768  125.751   57.731  150.191   72.274 -24.43968 92.50078 
1 1 1    6   19   16 o  184.659   54.288   34.896   71.752  106.736   92.005 -76.6214  114.631  216.297   80.907  153.021   72.408 63.27510 108.5766 
1 1 1    6   19   17 o  334.006   84.676  379.072  140.711  365.465  214.032  389.430  186.740  322.159  122.749  345.853  116.673 -23.69421 169.3516 
1 1 1    6   19   18 o  226.652   62.912  102.784   91.709  218.066  126.240 -26.0524  133.454  277.654   95.880  175.650   81.479 102.0043 125.8243 
1 1 1    6   19   19 o  174.046   56.201 -52.9134   91.902   88.301  129.267 -197.2378  130.682  210.809   89.703  137.284   67.731 73.52527 112.4017 
1 1 1    6   19   20 o  368.975  115.689  460.473  185.344  460.473  185.344   0.0000   0.0000  368.975  115.689  ?   ?       ?      ? 
1 1 1    6   19   21 o  198.457   96.574 -67.3802  239.033 -67.3802  239.033   0.0000   0.0000  198.457   96.574  ?   ?       ?      ? 
1 1 1    6   19   22 o  251.504  117.105  299.098  279.766  299.098  279.766   0.0000   0.0000  251.504  117.105  ?   ?       ?      ? 
1 1 1    6   19   23 o  155.992   55.448 -118.9574   91.052  -6.5718  231.147 -139.5990   99.061  192.280   93.874  119.703   59.041 72.57639 110.8969 
1 1 1    6   19   24 o  154.384   51.286 -13.0867   78.789 -51.6511  126.157   11.573  100.883  151.790   72.951  156.979   72.105 -5.188644 102.5715 
1 1 1    6   19   25 o  160.391   52.984 -17.7482   82.661   85.117  124.535 -98.7603  110.518  187.631   83.703  133.150   64.985 54.48045 105.9683 
1 1 1    6   19   26 o  156.706   51.336   8.5872   75.293   39.333   94.112 -46.0841  125.497  162.461   72.599  150.951   72.601 11.50926 102.6716 
1 1 1    6   19   27 o  125.919   43.739 -101.5775   72.031 -65.6171   86.620 -182.1895  129.689  123.626   59.674  128.211   63.963 -4.585274 87.47726 
1 1 1    6   20    0 o  713.704   89.066  1264.28  224.099  1250.28  272.903  1293.27  392.686  744.747   93.900  682.661  151.372 62.08527 178.1317 
1 1 1    6   20    1 o  598.484   77.848  858.835  164.755  869.703  201.012  836.591  287.584  631.502   81.567  565.465  132.620 66.03705 155.6958 
1 1 1    6   20    2 o  335.334   65.348  269.785   85.584  289.159  101.608  222.476  158.781  362.221   74.373  308.447  107.471 53.77469 130.6960 
1 1 1    6   20    3 o  660.460   83.367  959.230  214.870  959.230  214.870   0.0000   0.0000  660.460   83.367  ?   ?       ?      ? 
1 1 1    6   20    4 o  196.979   54.877   64.915   49.576   74.223   52.806  -4.2462  143.948  189.892   61.983  204.066   90.575 -14.17377 109.7535 
1 1 1    6   20    5 o  741.154   91.405  1246.67  264.368  1246.67  264.368   0.0000   0.0000  741.154   91.405  ?   ?       ?      ? 
1 1 1    6   20    6 o  633.212  171.380  1301.69  433.822   0.0000   0.0000  1301.69  433.822  ?   ?   633.212  171.380      ?      ? 
1 1 1    6   20    7 o  269.017   75.271   60.540   75.155   26.810   79.008  381.348  243.660  170.575   71.210  367.458  132.636 -196.8832 150.5428 
1 1 1    6   20    8 o  321.051   76.968  191.549   72.961  175.588   75.859  388.540  266.498  279.727   69.737  362.376  137.234 -82.64969 153.9367 
1 1 1    6   20    9 o  335.895   97.932  282.263  136.263  282.263  136.263   0.0000   0.0000  335.895   97.932  ?   ?       ?      ? 
1 1 1    6   20   10 o  473.159   70.266  493.728  129.744  493.728  129.744   0.0000   0.0000  473.159   70.266  ?   ?       ?      ? 
1 1 1    6   20   11 o  237.555   70.804  129.531   70.572  129.531   70.572   0.0000   0.0000  237.555   70.804  ?   ?       ?      ? 
1 1 1    6   20   12 o  445.344  128.577  616.610  235.917  616.610  235.917   0.0000   0.0000  445.344  128.577  ?   ?       ?      ? 
1 1 1    6   20   13 o  174.053   69.458   50.578   71.111   50.578   71.111   0.0000   0.0000  174.053   69.458  ?   ?       ?      ? 
1 1 1    6   20   14 o  195.516   76.040   77.527   83.331   77.527   83.331   0.0000   0.0000  195.516   76.040  ?   ?       ?      ? 
1 1 1    6   20   15 o  396.164   92.465  415.941  140.346  415.941  140.346   0.0000   0.0000  396.164   92.465  ?   ?       ?      ? 
1 1 1    6   20   16 o  262.570   91.249  187.396  114.429  187.396  114.429   0.0000   0.0000  262.570   91.249  ?   ?       ?      ? 
1 1 1    6   20   17 o  263.569  114.322  216.284  217.702  216.284  217.702   0.0000   0.0000  263.569  114.322  ?   ?       ?      ? 
1 1 1    6   20   18 o  185.818   62.615 -83.2323  117.600   77.708  196.204 -173.4684  146.915  221.270  101.237  150.366   73.712 70.90427 125.2293 
1 1 1    6   20   19 o  192.043   64.781 -37.5579  128.096   38.339  213.137 -80.4730  160.270  212.182   99.889  171.905   82.513 40.27704 129.5621 
1 1 1    6   20   20 o  175.718   59.014 -44.2950  110.472   27.457  157.719 -113.4012  154.783  191.061   88.610  160.376   77.966 30.68527 118.0273 
1 1 1    6   20   21 o  182.448   59.488   8.1467   98.988  130.859  150.953 -84.4291  131.113  213.851   93.925  151.044   73.032 62.80716 118.9766 
1 1 1    6   20   22 o  134.494   46.600 -139.5114   78.627  -9.1808  122.148 -231.7242  102.744  161.365   75.858  107.624   54.148 53.74092 93.20080 
1 1 1    6   20   23 o  193.467   61.173   60.492   98.913  213.598  148.432 -61.8070  132.661  234.768   97.772  152.166   73.547 82.60233 122.3454 
1 1 1    6   20   24 o  201.908   64.071   98.682  102.934  236.135  165.892   12.632  131.257  236.177  101.085  167.639   78.752 68.53773 128.1412 
1 1 1    6   20   25 o  161.934   54.395 -14.4651   91.878   54.594  139.898 -66.8441  121.837  179.232   83.239  144.635   70.046 34.59679 108.7894 
1 1 1    6   20   26 o  130.185   44.983 -93.6700   75.844 -64.0139  100.810 -132.3502  115.131  132.747   64.149  127.623   63.078 5.124863 89.96656 
1 1 1    6   21    0 o  194.958   54.974   63.769   57.892   82.404   63.889 -21.7610  136.869  199.126   68.239  190.790   86.208 8.336441 109.9471 
1 1 1    6   21    1 o  137.301   46.606 -121.1280   72.540 -148.4193  106.817 -97.7688   98.823  134.746   65.336  139.856   66.482 -5.109268 93.21289 
1 1 1    6   21    2 o  225.507   56.348  113.411   63.732  144.665   71.672  -4.6654  139.309  253.645   70.082  197.370   88.254 56.27460 112.6951 
1 1 1    6   21    3 o  494.318   73.647  562.663  123.320  514.888  141.885  710.231  249.365  482.073   75.421  506.563  126.520 -24.49017 147.2943 
1 1 1    6   21    4 o  151.476   51.402 -137.9388   66.153 -181.8722   74.827   19.285  141.553   97.350   48.570  205.602   90.607 -108.2528 102.8038 
1 1 1    6   21    5 o  227.390   62.113   99.655   59.866  103.729   63.283   64.945  184.701  216.648   67.546  238.132  104.258 -21.48407 124.2267 
1 1 1    6   21    6 o  260.667  106.725  144.524  172.855   0.0000   0.0000  144.524  172.855  ?   ?   260.667  106.725      ?      ? 
1 1 1    6   21    7 o  232.805   62.600  107.349   60.138  107.093   63.885  109.341  178.237  218.533   67.823  247.078  105.239 -28.54424 125.2008 
1 1 1    6   21    8 o  259.878   67.902   78.472   76.590   18.651   84.365  358.885  182.655  166.908   71.779  352.849  115.284 -185.9412 135.8034 
1 1 1    6   21    9 f  404.871  148.560  632.185  307.491   0.0000   0.0000  632.185  307.491  ?   ?   404.871  148.560      ?      ? 
1 1 1    6   21   10 o  149.485   54.552 -69.3170   33.305 -73.1881   33.796   60.945  196.048   68.834   34.050  230.137  103.656 -161.3029 109.1048 
1 1 1    6   21   11 f  155.781   53.549 -68.8048   70.979 -58.9252   76.586 -128.9589  188.978  127.082   59.842  184.480   88.818 -57.39867 107.0971 
1 1 1    6   21   12 o  201.204   64.753   17.615  101.018  -3.4262  119.439   70.487  189.331  176.670   80.115  225.739  101.752 -49.06964 129.5064 
1 1 1    6   21   13 o  215.447   66.647   75.572  100.070   64.129  120.194  101.425  180.658  200.612   85.958  230.282  101.876 -29.67014 133.2947 
1 1 1    6   21   14 o  188.115   60.963 -30.8172   98.996 -114.6091  125.531  107.015  161.000  149.701   72.153  226.529   98.284 -76.82785 121.9257 
1 1 1    6   21   15 o  202.118   63.465   49.935   88.620   32.941  102.561  100.011  176.057  178.387   77.906  225.849  100.210 -47.46184 126.9309 
1 1 1    6   21   16 f  183.104   56.151   7.3481   89.177  118.100  103.220 -318.6394  177.087  218.973   84.778  147.235   73.650 71.73756 112.3010 
1 1 1    6   21   17 o  185.099   58.741   4.2219   98.622  106.820  119.190 -218.5178  175.619  212.890   88.049  157.309   77.779 55.58147 117.4828 
1 1 1    6   21   18 o  193.521   60.651  -5.1161  108.124  178.369  140.124 -275.1444  169.987  241.539   97.110  145.503   72.689 96.03648 121.3012 
1 1 1    6   21   19 o  290.356   75.868  328.618  136.988  502.273  181.537   98.969  208.763  367.979  114.351  212.734   99.738 155.2449 151.7365 
1 1 1    6   21   20 o  199.379   61.926   79.430  103.019  191.489  135.289 -75.2221  158.934  235.553   95.167  163.206   79.264 72.34740 123.8528 
1 1 1    6   21   21 o  148.068   50.265 -53.4690   83.824 -39.1823  110.488 -72.8437  128.667  147.314   70.106  148.821   72.051 -1.506424 100.5294 
1 1 1    6   21   22 o  153.259   50.799 -97.4856   87.214  106.026  117.879 -343.6142  129.636  195.034   84.359  111.483   56.621 83.55076 101.5989 
1 1 1    6   21   23 o  157.279   53.449 -50.3533   93.559   43.928  143.978 -119.2625  123.089  178.510   83.415  136.049   66.850 42.46121 106.8971 
1 1 1    6   21   24 o  225.998   73.578  178.618  132.480  503.584  250.439   52.348  156.110  271.131  119.948  180.865   85.250 90.26582 147.1569 
1 1 1    6   21   25 o  183.316   63.474   25.664  112.321  275.758  266.902 -28.1597  123.818  215.377  104.152  151.255   72.581 64.12183 126.9478 
1 1 1    6   22    0 o  263.875   67.565  167.157   84.982  157.483  101.879  189.285  154.077  255.110   86.177  272.641  104.084 -17.53015 135.1293 
1 1 1    6   22    1 o  156.256   48.773   17.388   45.184   29.177   48.171 -68.9476  130.360  143.878   57.245  168.634   78.983 -24.75558 97.54666 
1 1 1    6   22    2 o  296.044   66.548  198.124   71.986  180.792   79.241  279.981  172.208  277.943   72.352  314.146  111.714 -36.20251 133.0969 
1 1 1    6   22    3 o  143.588   48.859 -72.2678   65.668 -47.4247   72.639 -183.3739  153.616  128.210   59.688  158.965   77.370 -30.75516 97.71844 
1 1 1    6   22    4 o  161.618   53.367   5.2880   45.145   10.378   46.605 -72.1492  181.790  128.141   54.163  195.096   91.969 -66.95439 106.7332 
1 1 1    6   22    5 o  277.579   67.550  200.432   78.792  209.408   84.199  137.207  223.472  297.614   73.041  257.544  113.653 40.07053 135.1001 
1 1 1    6   22    6 o  331.360   71.669  265.241   86.813  233.789   97.048  391.211  194.221  308.756   79.923  353.964  118.989 -45.20764 143.3389 
1 1 1    6   22    7 o  362.347   80.086  365.940  123.092  269.951  152.923  542.574  207.443  306.105  105.537  418.589  120.486 -112.4847 160.1719 
1 1 1    6   22    8 o  207.952   63.895   65.143   84.376   68.101   94.664   53.711  186.101  194.327   79.205  221.576  100.285 -27.24805 127.7904 
1 1 1    6   22    9 o  264.092   78.465  146.620  106.083  105.588  115.780  361.262  264.806  219.065   88.202  309.119  129.798 -90.05455 156.9303 
1 1 1    6   22   10 o  237.452   63.867  147.199   78.960  170.885   83.468 -54.4750  243.557  261.858   76.734  213.047  102.117 48.81093 127.7337 
1 1 1    6   22   11 o  181.960   59.254   25.972   58.940   28.823   61.188 -10.6989  219.467  151.423   62.894  212.498  100.441 -61.07497 118.5071 
1 1 1    6   22   12 o  213.569   66.166   67.282   73.626   54.304   78.329  165.722  215.728  176.895   72.068  250.244  110.986 -73.34933 132.3314 
1 1 1    6   22   13 o  226.942   64.512  128.824   83.946  149.418   91.967   25.971  205.528  240.421   81.874  213.463   99.720 26.95749 129.0249 
1 1 1    6   22   14 o  187.342   61.076  -5.1035   80.707 -37.0126   89.978  126.246  182.555  143.222   66.595  231.462  102.403 -88.24016 122.1529 
1 1 1    6   22   15 o  213.460   63.331   89.894  103.727  185.546  122.265 -155.7497  195.934  252.428   93.494  174.493   85.452 77.93492 126.6618 
1 1 1    6   22   16 o  191.840   61.134   44.049  100.047   99.539  117.699 -100.4545  189.934  205.899   86.499  177.781   86.413 28.11818 122.2675 
1 1 1    6   22   17 o  140.971   49.160 -143.7401   91.632 -88.9150  106.511 -299.8890  179.752  136.959   66.125  144.983   72.762 -8.023865 98.32031 
1 1 1    6   22   18 o  171.017   56.323  -1.5269   95.883   67.214  120.174 -121.9395  159.053  185.927   82.630  156.107   76.560 29.81981 112.6467 
1 1 1    6   22   19 o  198.819   62.673  104.547   99.268  131.411  136.842   74.709  144.219  207.626   90.347  190.012   86.884 17.61378 125.3454 
1 1 1    6   22   20 o  183.699   59.133   63.981   93.043   29.639  126.824  104.009  136.920  171.467   79.500  195.931   87.560 -24.46375 118.2668 
1 1 1    6   22   21 o  154.473   52.494 -49.6097   93.149 -105.4762  132.950   4.2567  130.548  143.605   70.340  165.342   77.941 -21.73627 104.9879 
1 1 1    6   22   22 o  193.082   62.168   37.747  109.468  258.207  164.105 -138.9975  146.937  242.357  101.994  143.807   71.112 98.54953 124.3366 
1 1 1    6   22   23 o  154.084   52.431 -68.1288   95.162   69.113  135.540 -201.5492  133.639  180.389   83.123  127.780   63.927 52.60866 104.8627 
1 1 1    6   23    0 o  349.494   87.164  412.467  151.515  315.827  209.836  517.740  219.008  307.451  120.362  391.537  126.107 -84.08560 174.3277 
1 1 1    6   23    1 o  218.796   65.893   77.016  104.763  156.385  139.039 -27.2256  159.342  247.252   97.608  190.341   88.543 56.91081 131.7851 
1 1 1    6   23    2 o  227.378   68.323  106.638  102.932  114.909  125.322   89.490  180.443  225.862   91.474  228.894  101.511 -3.032013 136.6460 
1 1 1    6   23    3 o  253.646   65.926  173.238   82.709  191.641   89.863   71.268  211.530  276.524   79.216  230.767  105.404 45.75677 131.8529 
1 1 1    6   23    4 o  275.268   66.577  228.954   96.277  273.726  105.124  -3.9514  239.767  328.978   82.137  221.559  104.803 107.4191 133.1544 
1 1 1    6   23    5 o  280.703  124.545  267.190  271.919   0.0000   0.0000  267.190  271.919  ?   ?   280.703  124.545      ?      ? 
1 1 1    6   23    6 o  319.391  137.227  452.614  307.832   0.0000   0.0000  452.614  307.832  ?   ?   319.391  137.227      ?      ? 
1 1 1    6   23    7 o  279.290  113.105  249.854  191.585   0.0000   0.0000  249.854  191.585  ?   ?   279.290  113.105      ?      ? 
1 1 1    6   23    8 o  278.252   73.619  244.236  114.667  282.944  131.182  118.884  236.068  315.027   97.093  241.477  110.689 73.54919 147.2384 
1 1 1    6   23    9 o  227.417  102.605   92.986  193.045   0.0000   0.0000   92.986  193.045  ?   ?   227.417  102.605      ?      ? 
1 1 1    6   23   10 o  351.619  136.715  542.330  269.318   0.0000   0.0000  542.330  269.318  ?   ?   351.619  136.715      ?      ? 
1 1 1    6   23   11 o  289.743   70.853  236.111  140.851  489.992  174.833 -233.4096  237.758  397.296  109.327  182.191   90.157 215.1058 141.7069 
1 1 1    6   23   12 o  186.273   61.704   0.1910   91.710 -10.6024  102.621   43.004  204.384  159.945   73.192  212.601   99.359 -52.65581 123.4070 
1 1 1    6   23   13 o  198.782   65.011   23.543  100.350 -15.2114  115.004  147.215  205.441  164.273   76.002  233.292  105.497 -69.01945 130.0227 
1 1 1    6   23   14 o  154.014   53.208 -104.9610   96.203 -70.5401  111.050 -208.4906  192.592  145.444   69.509  162.585   80.578 -17.14189 106.4160 
1 1 1    6   23   15 o  147.743   50.906 -93.6139   88.789 -50.1684  102.288 -226.3925  178.820  143.298   67.978  152.189   75.794 -8.891525 101.8124 
1 1 1    6   23   16 o  244.287   70.556  218.364  104.778  216.257  123.189  223.876  199.235  253.089   93.825  235.485  105.402 17.60353 141.1125 
1 1 1    6   23   17 o  248.698   62.046  201.622  104.651  364.921  129.329 -108.1039  178.112  334.496   94.762  162.901   80.118 171.5948 124.0912 
1 1 1    6   23   18 o  140.676   47.636 -75.8650   79.975   13.432   96.376 -273.3364  143.319  155.120   70.965  126.232   63.566 28.88817 95.27116 
1 1 1    6   23   19 o  154.004   50.943 -49.6148   86.036   77.231  108.390 -265.6538  141.454  182.217   79.820  125.792   63.320 56.42493 101.8854 
1 1 1    6   23   20 o  130.165   45.131 -113.9700   78.520 -76.1444  104.068 -163.9649  119.643  133.614   64.715  126.715   62.922 6.898521 90.26196 
1 1 1    6   23   21 o  156.556   51.761 -29.0899   84.298   89.200  115.302 -164.9245  123.557  185.161   81.678  127.951   63.605 57.20934 103.5221 
1 1 1    6   23   22 o  130.558   45.804 -147.1511   88.982 -161.8976  126.672 -132.7859  125.023  128.789   64.083  132.326   65.463 -3.537003 91.60825 
1 1 1    6   24    0 f  236.787   72.442  128.429  123.446   76.602  168.661  188.227  181.167  217.847   97.280  255.728  107.369 -37.88089 144.8842 
1 1 1    6   24    1 o  328.989   87.642  405.131  156.097  444.018  208.442  355.476  235.541  352.548  123.120  305.430  124.764 47.11810 175.2840 
1 1 1    6   24    2 o  196.315   63.761 -23.9594  100.041 -95.7717  118.666  152.479  186.005  148.921   71.354  243.709  105.690 -94.78781 127.5213 
1 1 1    6   24    3 o  309.819   86.630  363.214  161.960  430.293  212.011  269.208  250.982  343.199  123.747  276.439  121.269 66.76044 173.2609 
1 1 1    6   24    4 o  296.916   81.730  220.159  136.293   58.332  164.493  574.557  243.426  210.596   94.892  383.237  133.095 -172.6411 163.4593 
1 1 1    6   24    5 o  179.306   84.660 -49.0248  155.164   0.0000   0.0000 -49.0248  155.164  ?   ?   179.306   84.660      ?      ? 
1 1 1    6   24    6 o  168.526   53.982  -5.8465   78.931   43.599  100.311 -86.2322  127.901  180.942   78.042  156.109   74.604 24.83287 107.9643 
1 1 1    6   24    7 o  170.534   53.127   24.143   68.573   20.365  102.534   27.201   92.234  171.952   76.377  169.116   73.868 2.835922 106.2538 
1 1 1    6   24    8 o  171.850   54.365  -8.6028   76.427 -80.8501  100.835   88.931  117.160  138.425   66.177  205.275   86.273 -66.85059 108.7309 
1 1 1    6   24    9 o  176.384   56.457   15.176   83.272   2.2507  114.169   29.868  121.721  170.059   77.583  182.709   82.039 -12.64989 112.9134 
1 1 1    6   24   10 o  163.988   52.885   6.8249   71.243   35.281   81.036 -90.0359  149.506  164.285   70.491  163.691   78.857 0.5945435 105.7709 
1 1 1    6   24   11 o  230.094   69.380  145.460   97.230  133.406  108.695  193.727  217.502  220.417   86.529  239.770  108.477 -19.35234 138.7603 
1 1 1    6   24   12 o  211.730   64.954  119.295  102.584  157.596  115.512 -23.6547  223.159  229.251   89.425  194.209   94.229 35.04211 129.9079 
1 1 1    6   24   13 o  172.091   55.119   28.318   82.041   76.420   93.167 -137.7659  173.122  184.192   77.148  159.989   78.744 24.20349 110.2377 
1 1 1    6   24   14 o  203.270   62.171  111.948   85.846  103.867  102.054  131.504  158.753  196.866   81.452  209.674   93.951 -12.80815 124.3427 
1 1 1    6   24   15 o  153.231   50.113  -7.7601   74.083   47.844   87.146 -152.6558  140.677  165.602   72.080  140.861   69.641 24.74077 100.2265 
1 1 1    6   24   16 o  144.083   48.563 -32.7794   71.910   3.7724   81.317 -163.9101  154.020  143.604   65.499  144.562   71.717 -0.9574432 97.12611 
1 1 1    6   24   17 o  173.870   55.881   43.760   86.725   93.550  100.041 -106.8178  173.974  188.152   79.432  159.588   78.622 28.56377 111.7626 
1 1 1    6   24   18 o  157.989   53.156 -17.2860   84.671 -38.3675  104.718   22.523  143.900  142.968   68.096  173.010   81.639 -30.04134 106.3111 
1 1 1    6   24   19 o  212.028   62.639  149.025   96.133  237.201  126.151   26.898  148.464  250.464   94.524  173.591   82.218 76.87325 125.2778 
1 1 1    6   24   20 o  137.059   47.000 -110.7286   81.429   30.560  113.058 -263.0222  117.378  163.100   75.423  111.018   56.103 52.08218 94.00097 
1 1 1    6   25    0 o  214.234   69.025   76.639  126.839   77.427  169.831   75.645  190.739  212.329   95.977  216.138   99.229 -3.808975 138.0509 
1 1 1    6   25    1 f  251.457   69.485  192.395   98.352  209.361  110.504  127.732  215.730  271.000   89.723  231.914  106.124 39.08592 138.9702 
1 1 1    6   25    2 o  260.401   69.649  214.691   99.017  235.417  110.046  126.567  226.919  288.523   88.929  232.278  107.217 56.24556 139.2972 
1 1 1    6   25    3 o  179.201   61.728 -129.6766  139.280 -211.3410  195.065 -44.7403  198.934  166.016   82.064  192.385   92.234 -26.36899 123.4564 
1 1 1    6   25    4 o  155.700   50.018   8.7322   59.428   39.243   63.389 -212.7656  170.794  156.769   64.459  154.632   76.501 2.136993 100.0367 
1 1 1    6   25    5 o  212.917   60.309  113.550   83.047  164.747  100.039   0.0440  148.955  242.751   85.265  183.082   85.314 59.66837 120.6175 
1 1 1    6   25    6 o  187.361   51.336   68.215   66.865  139.586   76.522 -162.2235  137.501  231.092   74.554  143.630   70.591 87.46123 102.6716 
1 1 1    6   25    7 o  218.787   65.726  131.059   98.154  146.793  124.878  105.626  158.766  225.594   91.331  211.979   94.542 13.61472 131.4513 
1 1 1    6   25    8 o  158.515   52.716 -36.4984   81.285 -78.7904  104.980   26.815  128.448  138.320   66.494  178.710   81.819 -40.39084 105.4315 
1 1 1    6   25    9 o  184.241   59.364   38.638   93.458  -7.1846  124.045   98.800  142.134  165.741   77.441  202.742   89.995 -37.00090 118.7271 
1 1 1    6   25   10 o  210.217   60.765  129.859   83.850  163.698   96.946   29.370  167.062  233.687   83.743  186.746   88.073 46.94109 121.5310 
1 1 1    6   25   11 o  199.819   64.135  100.068  108.490  111.421  141.431   83.838  169.108  202.256   89.776  197.383   91.617 4.873810 128.2705 
1 1 1    6   25   12 o  159.934   53.253 -16.9818   76.260 -53.7743   90.766   71.334  140.624  131.929   62.993  187.938   85.881 -56.00916 106.5060 
1 1 1    6   25   13 o  198.857   60.643  112.680   83.287  116.420   99.116  103.696  153.628  200.338   81.276  197.375   90.026 2.962921 121.2864 
1 1 1    6   25   14 o  154.478   51.056  -0.0999   73.437   14.174   88.109 -32.5792  132.907  151.053   68.618  157.904   75.619 -6.850967 102.1116 
1 1 1    6   25   15 o  177.612   57.368   42.576   79.394   7.3835   93.696  132.186  149.510  151.121   69.442  204.104   91.334 -52.98299 114.7350 
1 1 1    6   25   16 o  153.552   50.665  -3.8093   76.125   42.851   88.097 -141.3410  151.249  161.712   71.361  145.392   71.941 16.31926 101.3305 
1 1 1    6   25   17 o  190.210   59.236  101.822   85.491  119.392  101.304   58.345  159.353  198.025   81.463  182.394   86.020 15.63158 118.4718 
1 1 1    6   25   18 o  111.614   56.182 -294.1579   68.632 -335.4871   87.159 -226.7092  111.345  ?   ?   111.614   56.182      ?      ? 
1 1 1    6   26    0 o  250.626   65.505  214.468  107.445  321.799  128.914 -29.7211  194.446  316.710   95.991  184.543   89.158 132.1675 131.0093 
1 1 1    6   26    1 o  164.620   56.271 -75.7627  110.685 -24.8746  153.195 -131.3405  160.098  172.862   82.343  156.378   76.717 16.48425 112.5424 
1 1 1    6   26    2 o  222.897   72.215  147.243  142.990  260.855  209.806   48.699  195.399  247.561  109.641  198.233   94.014 49.32790 144.4290 
1 1 1    6   26    3 o  168.712   56.069  -0.6561   62.462 -19.0779   67.068  119.810  171.506  126.784   58.440  210.641   95.706 -83.85722 112.1375 
1 1 1    6   26    4 o  200.799   64.993   87.189  115.468  130.479  161.668   42.110  164.976  212.143   94.951  189.455   88.773 22.68782 129.9856 
1 1 1    6   26    5 o  187.014   56.928   76.348   79.316  117.890   94.737 -21.0210  145.040  205.350   80.728  168.678   80.287 36.67189 113.8553 
1 1 1    6   26    6 o  124.964   43.898 -160.9634   74.930 -204.5832   94.456 -86.9133  123.069  105.460   52.902  144.469   70.068 -39.00892 87.79603 
1 1 1    6   26    7 o  242.239   61.893  209.382   89.341  259.551  101.819   41.504  186.256  294.358   84.320  190.120   90.627 104.2374 123.7866 
1 1 1    6   26    8 o  213.496   64.764  115.643   78.124   83.271   86.285  262.881  184.020  183.176   75.248  243.816  105.430 -60.63960 129.5288 
1 1 1    6   26    9 o  161.522   54.608 -23.3151   91.555 -38.2912  112.544   5.9883  157.428  148.185   70.585  174.859   83.343 -26.67426 109.2169 
1 1 1    6   26   10 o  184.243   58.094   76.811   79.473   89.558   88.593   24.289  179.834  185.660   76.255  182.827   87.662 2.832916 116.1876 
1 1 1    6   26   11 o  288.440   69.902  364.760  119.161  449.799  142.112  163.394  218.683  365.631   97.725  211.247   99.975 154.3839 139.8043 
1 1 1    6   26   12 o  209.373   62.876  126.989  106.915  248.757  132.893 -96.4490  180.017  256.040   96.923  162.706   80.122 93.33430 125.7522 
1 1 1    6   26   13 o  155.000   52.760 -30.5294   80.082 -48.5735   92.520   23.375  159.911  133.134   63.576  176.866   84.216 -43.73206 105.5194 
1 1 1    6   26   14 o  139.103   48.124 -63.6452   72.219 -61.4626   81.897 -71.2773  153.146  121.952   58.653  156.254   76.313 -34.30152 96.24874 
1 1 1    6   26   15 o  135.102   46.909 -69.1622   71.491 -53.2051   80.109 -131.5868  158.447  122.313   58.611  147.891   73.258 -25.57787 93.81868 
1 1 1    6   26   16 o  205.965   87.811  152.245  124.303  152.245  124.303   0.0000   0.0000  205.965   87.811  ?   ?       ?      ? 
1 1 1    6   27    0 f  252.874   74.720  286.579  125.989  228.801  183.905  337.678  172.949  231.471  102.576  274.278  108.677 -42.80659 149.4402 
1 1 1    6   27    1 o  183.483   59.827   56.457   97.467   96.108  153.683   29.777  126.062  195.416   89.478  171.551   79.441 23.86510 119.6540 
1 1 1    6   27    2 o  192.346   62.115   68.132  113.936 -110.3224  185.654  175.952  144.308  163.522   80.686  221.171   94.461 -57.64917 124.2300 
1 1 1    6   27    3 o  412.190   69.313  701.587  158.460  1120.80  215.824  211.312  233.401  603.791   91.597  220.588  104.055 383.2028 138.6267 
1 1 1    6   27    4 f  209.193   64.037  143.690  100.418  179.340  121.663   67.497  177.862  227.461   90.826  190.926   90.298 36.53574 128.0748 
1 1 1    6   27    5 o  168.780   57.440 -28.1034  110.296 -87.3185  148.337   45.114  164.945  153.633   75.048  183.928   86.979 -30.29524 114.8810 
1 1 1    6   27    6 o  159.376   55.225 -99.6909   98.933 -184.2607  119.031   89.264  177.923  123.753   61.665  195.000   91.632 -71.24694 110.4495 
1 1 1    6   27    7 o  190.518   86.048   89.805  136.192   89.805  136.192   0.0000   0.0000  190.518   86.048  ?   ?       ?      ? 
1 1 1    6   27    8 o  202.130   59.441  127.583   86.725  169.151   93.399 -132.4855  233.617  232.347   82.309  171.914   85.779 60.43272 118.8816 
1 1 1    6   27    9 o  160.610   55.485 -52.9016  106.075 -32.7503  123.130 -110.9074  208.904  153.101   73.175  168.118   83.424 -15.01759 110.9693 
1 1 1    6   27   10 o  162.654   56.880 -80.4214  104.997 -130.8572  120.929   74.056  211.638  132.373   65.279  192.934   93.165 -60.56110 113.7593 
1 1 1    6   27   11 o  186.643   60.908   83.194   99.409  103.586  110.239  -5.5565  229.982  190.616   82.015  182.669   90.071 7.947601 121.8162 
1 1 1    6   27   12 o  161.459   57.072 -177.2155  150.600 -396.1665  222.734   7.1833  204.406  143.916   73.204  179.002   87.580 -35.08659 114.1444 
1 1 1    6   27   13 o  162.335   81.245 -137.8101  216.776 -137.8101  216.776   0.0000   0.0000  162.335   81.245  ?   ?       ?      ? 
1 1 1    6   28    0 o  153.740   52.269 -40.9602   91.302 -52.8347  139.764 -32.1205  120.588  155.471   75.228  152.008   72.587 3.462891 104.5377 
1 1 1    6   28    1 o  158.155   54.504 -70.3173  105.670   4.9635  163.380 -124.4550  138.551  173.867   83.416  142.443   70.173 31.42316 109.0072 
1 1 1    6   28    2 o  178.028   60.474   15.101  123.006 -31.1396  189.038   49.056  161.989  173.579   84.777  182.478   86.264 -8.899506 120.9484 
1 1 1    6   28    3 o  156.512   54.691 -121.4859  120.567 -187.1985  164.149 -44.5036  177.668  144.440   72.044  168.584   82.304 -24.14415 109.3813 
1 1 1    6   28    4 o  159.621   79.715 -167.1591  203.661   0.0000   0.0000 -167.1591  203.661  ?   ?   159.621   79.715      ?      ? 
1 1 1    6   28    5 o  168.443   58.348 -30.5418  112.211 -40.7192  128.514   2.1099  230.189  152.683   73.443  184.202   90.688 -31.51871 116.6965 
1 1 1    6   28    6 f  137.828   50.485 -269.0804   99.809 -301.6073  109.581 -110.7202  241.789  102.609   52.108  173.047   86.486 -70.43822 100.9701 
1 1 1    6   28    7 o  156.347   75.235 -30.8463  135.187 -30.8463  135.187   0.0000   0.0000  156.347   75.235  ?   ?       ?      ? 
1 1 1    6   28    8 o  183.732   59.222   84.588   93.523  118.816   97.999 -264.6159  313.022  196.385   80.377  171.079   86.997 25.30515 118.4443 
1 1 1    6   28    9 o  211.188   67.388  187.152  117.191  194.274  127.017  146.388  303.878  223.665   91.521  198.712   98.937 24.95222 134.7762 
1 1 1    6   29    0 o  335.730   95.227  636.465  167.410  389.580  192.121  1415.27  341.226  262.442  110.397  409.018  155.194 -146.5763 190.4537 
1 1 1    6   29    1 o  349.351  101.814  997.201  211.002  772.039  244.239  1659.72  418.955  345.904  131.286  352.799  155.656 -6.894409 203.6290 
1 1 1    6   29    2 o  256.364  120.583  643.078  309.359   0.0000   0.0000  643.078  309.359  ?   ?   256.364  120.583      ?      ? 
1 1 1    7    0    0 o  882.994   23.397  1533.75  113.651  1533.75  113.651  1533.75  113.651  882.994   33.088  882.994   33.088 0.000000 0.000000 
1 1 1    7    0    1 o  1261.95   29.917  3138.12  207.825  3138.12  207.825  3138.12  207.825  1261.95   42.309  1261.95   42.309 -0.000000 0.000000 
1 1 1    7    0    2 o  758.443   21.465  1131.63   89.521  1131.63   89.521  1131.63   89.521  758.443   30.357  758.443   30.357 -0.000000 0.000000 
1 1 1    7    0    3 o  447.297   17.431  394.838   42.731  394.838   42.731  394.838   42.731  447.297   24.651  447.297   24.651 -0.000000 0.000000 
1 1 1    7    0    4 o  865.918   23.114  1475.60  110.099  1475.60  110.099  1475.60  110.099  865.918   32.687  865.918   32.687 -0.000000 0.000000 
1 1 1    7    0    5 o  621.550   93.067  891.803  280.793  891.803  280.793  891.803  280.793  621.550  131.617  621.550  131.617 0.000000 0.000000 
1 1 1    7    0    6 o  874.401  117.310  1800.55  506.787  1800.55  506.787  1800.55  506.787  874.401  165.902  874.401  165.902 -0.000000 0.000000 
1 1 1    7    0    7 o  136.424   48.882   54.699   45.873   54.699   45.873   54.699   45.873  136.424   69.129  136.424   69.129 0.000000 0.000000 
1 1 1    7    0    8 o  403.654   80.243  403.960  154.741  403.960  154.741  403.960  154.741  403.654  113.480  403.654  113.480 -0.000000 0.000000 
1 1 1    7    0    9 o  573.310   24.386  653.937   76.518  653.937   76.518  653.937   76.518  573.310   34.487  573.310   34.487 0.000000 0.000000 
1 1 1    7    0   10 o  326.579   23.782  216.599   41.822  216.599   41.822  216.599   41.822  326.579   33.633  326.579   33.633 -0.000000 0.000000 
1 1 1    7    0   11 o  462.643   25.352  429.902   63.836  429.902   63.836  429.902   63.836  462.643   35.853  462.643   35.853 0.000000 0.000000 
1 1 1    7    0   12 o  1380.78   46.874  3885.80  355.319  3885.80  355.319  3885.80  355.319  1380.78   66.290  1380.78   66.290 0.000000 0.000000 
1 1 1    7    0   13 o  599.972   19.455  710.697   64.108  710.697   64.108  710.697   64.108  599.972   27.513  599.972   27.513 -0.000000 0.000000 
1 1 1    7    0   14 o  390.100   17.211  301.502   36.723  301.502   36.723  301.502   36.723  390.100   24.340  390.100   24.340 0.000000 0.000000 
1 1 1    7    0   15 o  107.248   23.043   27.963   11.907   27.963   11.907   27.963   11.907  107.248   32.588  107.248   32.588 0.000000 0.000000 
1 1 1    7    0   16 o  697.139   20.949  957.812   80.268  957.812   80.268  957.812   80.268  697.139   29.627  697.139   29.627 0.000000 0.000000 
1 1 1    7    0   17 o  956.918   24.812  1804.92  130.633  1804.92  130.633  1804.92  130.633  956.918   35.089  956.918   35.089 0.000000 0.000000 
1 1 1    7    0   18 o  281.701   29.856  166.128   43.342  166.128   43.342  166.128   43.342  281.701   42.223  281.701   42.223 0.000000 0.000000 
1 1 1    7    0   19 o  522.052   19.100  538.031   54.693  538.031   54.693  538.031   54.693  522.052   27.012  522.052   27.012 -0.000000 0.000000 
1 1 1    7    0   20 o  827.677   23.110  1350.84  105.189  1350.84  105.189  1350.84  105.189  827.677   32.683  827.677   32.683 -0.000000 0.000000 
1 1 1    7    0   21 o  1038.61   26.370  2130.24  150.707  2130.24  150.707  2130.24  150.707  1038.61   37.293  1038.61   37.293 0.000000 0.000000 
1 1 1    7    0   22 o  300.113   19.284  180.845   31.333  180.845   31.333  180.845   31.333  300.113   27.272  300.113   27.272 -0.000000 0.000000 
1 1 1    7    0   23 o  460.861   25.600  425.575   64.188  425.575   64.188  425.575   64.188  460.861   36.204  460.861   36.204 -0.000000 0.000000 
1 1 1    7    0   24 o  695.767   21.732  956.726   83.075  956.726   83.075  956.726   83.075  695.767   30.733  695.767   30.733 -0.000000 0.000000 
1 1 1    7    0   25 o  979.438   25.777  1901.82  138.894  1901.82  138.894  1901.82  138.894  979.438   36.454  979.438   36.454 0.000000 0.000000 
1 1 1    7    0   26 o  560.215   20.735  623.156   63.707  623.156   63.707  623.156   63.707  560.215   29.324  560.215   29.324 -0.000000 0.000000 
1 1 1    7    0   27 f  264.355   23.158  144.353   32.392  144.353   32.392  144.353   32.392  264.355   32.750  264.355   32.750 0.000000 0.000000 
1 1 1    7    0   28 o   65.051   25.879   11.366   14.109   11.366   14.109   11.366   14.109   65.051   36.599   65.051   36.599 -0.000000 0.000000 
1 1 1    7    0   29 o  297.205   21.801  180.836   34.877  180.836   34.877  180.836   34.877  297.205   30.831  297.205   30.831 0.000000 0.000000 
1 1 1    7    0   30 o  493.612   38.715  520.287  102.148  520.287  102.148  520.287  102.148  493.612   54.751  493.612   54.751 0.000000 0.000000 
1 1 1    7    0   31 o  158.479   62.062   85.350   79.621   85.350   79.621   85.350   79.621  158.479   87.769  158.479   87.769 0.000000 0.000000 
1 1 1    7    0   32 o  192.024   28.450   83.127   26.559   83.127   26.559   83.127   26.559  192.024   40.235  192.024   40.235 0.000000 0.000000 
1 1 1    7    0   33 o   71.028   27.644   14.576   15.687   14.576   15.687   14.576   15.687   71.028   39.094   71.028   39.094 0.000000 0.000000 
1 1 1    7    0   34 o  242.945   25.170  126.759   31.627  126.759   31.627  126.759   31.627  242.945   35.596  242.945   35.596 0.000000 0.000000 
1 1 1    7    0   35 o   19.423   10.101 -21.3962   7.5040 -21.3962   7.5040 -21.3962   7.5040   19.423   14.285   19.423   14.285 -0.000000 0.000000 
1 1 1    7    0   36 o  385.246   21.736  305.256   45.536  305.256   45.536  305.256   45.536  385.246   30.739  385.246   30.739 0.000000 0.000000 
1 1 1    7    1    1 o  269.563   15.779  142.301   16.598  140.035   23.405  144.592   23.542  267.400   22.429  271.726   22.201 -4.326630 31.55881 
1 1 1    7    1    2 o  2545.77   56.531 13212.53  559.772 13766.32  831.942 12754.42  756.674  2590.89   82.283  2500.66   77.539 90.23145 113.0616 
1 1 1    7    1    3 o  1310.59   36.707  3450.44  182.307  3549.43  233.706  3296.59  291.368  1338.28   44.750  1282.90   58.199 55.37988 73.41448 
1 1 1    7    1    4 o  960.481   29.402  1839.38  106.295  1880.56  134.610  1771.17  173.246  976.742   35.315  944.219   47.017 32.52295 58.80322 
1 1 1    7    1    5 o  333.369   42.052  296.246   38.156  333.530   42.305  133.630   88.351  412.182   26.301  254.555   79.885 157.6263 84.10308 
1 1 1    7    1    6 o  647.107   26.340  804.755   65.528  976.514  104.038  691.810   84.365  702.570   37.946  591.644   36.540 110.9258 52.67928 
1 1 1    7    1    7 o  162.290   56.130   48.748   43.273   0.0000   0.0000   48.748   43.273  ?   ?   162.290   56.130      ?      ? 
1 1 1    7    1   10 o  594.094   49.630  643.279   72.039  615.289   75.882  898.849  229.293  555.617   34.997  632.571   92.886 -76.95367 99.26005 
1 1 1    7    1   11 f  198.301   23.357   81.307   16.919   49.750   23.432  115.684   24.456  154.593   38.878  242.008   25.895 -87.41542 46.71305 
1 1 1    7    1   12 o  875.341   29.205  1486.49   90.698  1416.86  106.782  1666.84  171.848  844.580   32.398  906.101   48.600 -61.52197 58.40908 
1 1 1    7    1   13 o  555.627   22.682  572.282   44.832  522.015   52.455  708.504   86.352  514.666   26.118  596.589   37.091 -81.92267 45.36346 
1 1 1    7    1   14 o  235.667   19.108  107.327   16.884  102.310   20.917  116.709   28.603  228.179   23.491  243.156   30.143 -14.97662 38.21547 
1 1 1    7    1   15 o  227.739   16.700  101.826   14.835   97.453   20.808  106.347   21.155  222.748   23.938  232.731   23.293 -9.983398 33.40033 
1 1 1    7    1   16 o  305.735   16.919  183.781   20.140  197.778   28.459  169.740   28.504  317.487   22.970  293.983   24.846 23.50308 33.83712 
1 1 1    7    1   17 o  595.861   23.849  670.670   51.568  782.602   94.777  623.597   61.463  628.607   38.636  563.115   27.969 65.49213 47.69725 
1 1 1    7    1   18 o  759.314   26.914  1156.46   75.468  1190.89   93.603  1092.50  127.571  777.544   30.848  741.084   44.112 36.46039 53.82808 
1 1 1    7    1   19 o  319.209   18.101  200.739   22.472  209.031   30.961  191.508   32.669  326.301   24.314  312.117   26.821 14.18356 36.20179 
1 1 1    7    1   20 o  467.228   18.736  429.707   34.102  460.066   48.324  399.590   48.131  483.805   25.595  450.651   27.369 33.15378 37.47218 
1 1 1    7    1   21 o  227.817   19.311  101.539   17.114   92.356   23.211  112.479   25.335  216.588   27.461  239.046   27.158 -22.45749 38.62241 
1 1 1    7    1   22 o  171.325   21.814   59.711   14.103   68.657   19.534   49.972   20.383  186.741   26.805  155.908   34.422 30.83296 43.62757 
1 1 1    7    1   23 o  685.741   41.184  938.413  110.211   0.0000   0.0000  938.413  110.211  ?   ?   685.741   41.184      ?      ? 
1 1 1    7    1   24 o  797.495   23.011  1259.18   71.565  1323.50  103.214  1199.64   99.314  817.150   32.367  777.841   32.718 39.30957 46.02294 
1 1 1    7    1   25 o  376.978   20.007  281.994   29.292  289.191   39.847  273.532   43.208  382.520   26.694  371.435   29.809 11.08463 40.01434 
1 1 1    7    1   26 o  433.354   19.790  374.332   33.326  401.632   46.327  345.052   47.976  450.214   26.368  416.495   29.518 33.71988 39.57999 
1 1 1    7    1   27 o  691.615   22.029  958.352   59.420  1000.01   84.351  917.315   83.717  706.866   30.579  676.365   31.717 30.50128 44.05750 
1 1 1    7    1   28 o  250.387   21.926  125.822   21.383  119.286   29.158  133.428   31.453  243.455   30.690  257.319   31.323 -13.86356 43.85232 
1 1 1    7    1   29 o  478.420   21.681  464.074   40.246  477.497   54.606  448.113   59.546  487.033   28.731  469.808   32.479 17.22476 43.36292 
1 1 1    7    1   30 o  517.759   28.325  542.002   52.441  598.474   97.318  518.894   62.252  530.123   47.042  505.395   31.564 24.72845 56.64994 
1 1 1    7    1   31 o  477.221   66.052  532.492  123.010   0.0000   0.0000  532.492  123.010  ?   ?   477.221   66.052      ?      ? 
1 1 1    7    1   32 o  154.071   26.091   52.259   15.816   36.486   22.800   66.890   21.959  130.433   40.524  177.709   32.875 -47.27669 52.18214 
1 1 1    7    1   33 o  320.254   22.595  213.039   28.176  231.101   40.223  195.637   39.480  334.250   30.837  306.257   33.034 27.99231 45.19053 
1 1 1    7    1   34 f  332.176   23.063  230.900   29.885  222.745   41.690  239.519   42.861  326.043   32.766  338.310   32.465 -12.26611 46.12610 
1 1 1    7    1   35 f  112.379   23.760   24.766   13.652  -2.8089   20.486   46.793   18.310   77.930   34.399  146.829   32.785 -68.89970 47.52000 
1 1 1    7    1   36 o  279.449   24.372  169.036   25.948  147.063   39.261  186.078   34.576  260.000   38.695  298.897   29.643 -38.89694 48.74416 
1 1 1    7    2    0 o  895.462   23.562  1575.08   82.247  1633.90  119.762  1522.56  113.149  911.179   33.681  879.745   32.958 31.43414 47.12365 
1 1 1    7    2    1 o  408.017   19.781  320.681   30.259  305.866   37.481  348.405   51.273  395.035   24.314  420.999   31.208 -25.96375 39.56158 
1 1 1    7    2    2 o  774.735   25.411  1201.21   75.541  1325.12  101.681  1048.58  112.852  820.866   31.742  728.604   39.691 92.26215 50.82226 
1 1 1    7    2    3 o  466.641   22.581  426.440   41.022  467.662   60.257  390.833   56.003  487.595   31.668  445.687   32.199 41.90811 45.16249 
1 1 1    7    2    4 o  946.340   32.710  1779.29  120.796  1782.58  171.395  1776.05  170.272  947.167   46.370  945.513   46.147 1.654053 65.41983 
1 1 1    7    2    5 o  1383.73  125.587  4146.54  334.290  4040.12  347.194  5498.96  1237.70  1413.34   62.950  1354.12  243.158 59.21765 251.1744 
1 1 1    7    2    6 o  835.998   64.016  1220.12  118.175  1169.59  122.956  1832.31  427.963  767.725   41.041  904.271  121.276 -136.5465 128.0322 
1 1 1    7    2    7 o  567.461   50.094  546.085   70.713  514.587   74.422  838.672  226.826  509.479   37.432  625.443   92.934 -115.9644 100.1890 
1 1 1    7    2    8 o  419.717   95.646  398.147  153.169  398.147  153.169   0.0000   0.0000  419.717   95.646  ?   ?       ?      ? 
1 1 1    7    2    9 o  373.619   45.456  306.553   42.813  311.054   46.025  277.632  116.658  396.470   29.747  350.767   85.907 45.70233 90.91199 
1 1 1    7    2   10 o  417.885   67.537  406.278  108.040  346.971  148.917  472.184  156.984  382.429   99.009  453.342   91.882 -70.91324 135.0740 
1 1 1    7    2   11 o  533.232   58.585  734.512   63.285  761.397   66.753  495.779  198.918  620.383   27.573  446.082  113.879 174.3020 117.1691 
1 1 1    7    2   12 o  634.026   64.524  929.924   75.424  936.762   78.401  844.989  276.312  688.020   29.200  580.033  125.701 107.9878 129.0482 
1 1 1    7    2   13 f  469.953   51.255  475.502   46.782  476.838   48.683  459.396  169.036  492.083   25.352  447.822   99.326 44.26108 102.5107 
1 1 1    7    2   14 o  340.334   23.196  227.531   30.807  227.531   30.807   0.0000   0.0000  340.334   23.196  ?   ?       ?      ? 
1 1 1    7    2   15 o  791.953   27.085  1234.14   78.456  1215.65   95.279  1273.07  138.273  785.024   31.101  798.883   44.353 -13.85815 54.17087 
1 1 1    7    2   16 o  393.802   23.856  305.367   36.559  274.870   50.409  339.207   53.101  372.991   34.632  414.613   32.819 -41.62155 47.71253 
1 1 1    7    2   17 o  632.469   24.090  762.607   54.920  722.206   65.301  860.253  101.520  606.076   27.609  658.863   39.484 -52.78729 48.17982 
1 1 1    7    2   18 o  850.351   28.535  1469.02   91.375  1596.75  118.187  1279.21  144.069  899.512   33.669  801.190   46.079 98.32233 57.06923 
1 1 1    7    2   19 o  162.406   20.858   52.108   12.853   43.029   17.204   63.578   19.337  145.019   31.316  179.794   27.560 -34.77412 41.71614 
1 1 1    7    2   20 o  242.920   19.243  116.661   18.050  120.352   24.079  111.927   27.270  247.488   24.931  238.351   29.319 9.137085 38.48565 
1 1 1    7    2   21 o  429.549   19.500  366.702   32.369  410.943   44.836  318.545   46.778  457.191   25.130  401.907   29.825 55.28461 39.00085 
1 1 1    7    2   22 o  313.583   20.636  198.215   24.389  213.408   31.459  175.331   38.611  329.472   24.468  297.693   33.236 31.77896 41.27113 
1 1 1    7    2   23 o  1184.95   41.596  2803.92  192.348   0.0000   0.0000  2803.92  192.348  ?   ?   1184.95   41.596      ?      ? 
1 1 1    7    2   24 o  886.852   35.398  1564.15  122.506   0.0000   0.0000  1564.15  122.506  ?   ?   886.852   35.398      ?      ? 
1 1 1    7    2   25 o  311.781   19.879  192.832   23.947  195.360   31.839  189.538   36.338  314.472   25.944  309.089   30.126 5.382660 39.75787 
1 1 1    7    2   26 o  200.423   23.808   80.158   17.777   57.095   23.608  110.363   27.018  165.324   37.460  235.522   29.396 -70.19745 47.61650 
1 1 1    7    2   27 o  319.886   20.277  205.657   25.020  215.159   33.459  193.603   37.685  328.952   26.065  310.820   31.069 18.13254 40.55434 
1 1 1    7    2   28 o  329.411   21.574  217.822   27.417  214.531   36.051  222.337   42.224  327.192   28.234  331.631   32.627 -4.439484 43.14727 
1 1 1    7    2   29 o  205.577   32.970  106.526   26.168   45.097   47.416  133.428   31.379  154.486   58.024  256.668   31.328 -102.1826 65.94096 
1 1 1    7    2   30 o  283.552   32.684  179.165   31.573  155.987   56.625  189.622   38.034  261.756   57.046  305.348   31.919 -43.59146 65.36845 
1 1 1    7    2   31 o  220.252   50.429   83.395   26.127   79.171   26.720  175.503  124.784  192.799   36.857  247.705   93.883 -54.90656 100.8582 
1 1 1    7    2   32 o  259.423   22.343  138.687   22.499  155.467   31.979  122.241   31.659  275.763   29.716  243.083   33.375 32.68086 44.68684 
1 1 1    7    2   33 o  479.188   47.366  586.916   80.783  735.384  110.803  418.458  118.027  570.481   49.771  387.895   80.603 182.5857 94.73174 
1 1 1    7    2   34 f  315.572   24.116  207.661   29.534  183.101   39.594  238.469   44.344  294.522   34.449  336.622   33.757 -42.10034 48.23149 
1 1 1    7    2   35 o  286.091   34.443  173.221   38.454   0.0000   0.0000  173.221   38.454  ?   ?   286.091   34.443      ?      ? 
1 1 1    7    2   36 f  241.156   25.822  124.148   23.842  130.602   37.818  119.891   30.716  244.286   39.670  238.027   33.068 6.259552 51.64486 
1 1 1    7    3    0 o  1081.06   38.286  2300.65  159.813  2561.56  248.824  2117.45  208.504  1131.44   56.354  1030.67   51.840 100.7739 76.57131 
1 1 1    7    3    1 o  246.834   21.319  119.627   20.500  110.083   28.520  129.830   29.487  236.614   30.887  257.054   29.395 -20.44002 42.63836 
1 1 1    7    3    2 o  537.736   23.584  567.844   49.423  604.853   72.071  534.992   67.904  554.234   33.322  521.237   33.383 32.99750 47.16802 
1 1 1    7    3    3 o  507.272   23.081  506.691   45.689  501.656   64.530  511.752   64.698  504.728   32.762  509.816   32.519 -5.087646 46.16151 
1 1 1    7    3    4 o  256.686   38.454  137.392   27.429  138.906   29.611  128.241   72.804  265.827   28.545  247.545   71.415 18.28258 76.90803 
1 1 1    7    3    5 o  605.643   50.599  701.355   77.057  686.226   81.786  820.933  229.934  589.401   35.558  621.885   94.746 -32.48364 101.1987 
1 1 1    7    3    6 o  596.667  116.350  814.422  261.181   0.0000   0.0000  814.422  261.181  ?   ?   596.667  116.350      ?      ? 
1 1 1    7    3    7 o  770.963   87.637  1436.75  237.978  1574.09  299.431  1201.23  392.114  856.064   89.631  685.862  150.624 170.2015 175.2749 
1 1 1    7    3    8 o  672.755   83.703  1023.89  209.737  1463.79  334.437  738.726  269.269  801.136  106.973  544.374  128.769 256.7618 167.4057 
1 1 1    7    3    9 o  344.041   50.368  259.053   63.224  268.476   77.977  240.972  108.014  361.715   55.242  326.366   84.238 35.34848 100.7355 
1 1 1    7    3   10 o  302.275   48.828  202.904   54.309  210.617   67.002  188.130   92.733  315.471   56.500  289.079   79.653 26.39221 97.65639 
1 1 1    7    3   11 o  218.101   48.360  100.717   46.298   81.593   65.560  119.742   65.390  201.304   69.119  234.898   67.656 -33.59450 96.72004 
1 1 1    7    3   12 o  318.026   42.100  246.917   29.704  255.852   31.337  167.857   93.215  360.686   22.264  275.366   81.204 85.31995 84.20053 
1 1 1    7    3   13 o  766.839   71.192  1275.17   96.539  1270.96   99.779  1336.87  381.966  801.510   31.900  732.167  138.764 69.34357 142.3835 
1 1 1    7    3   14 o  347.874   41.900  206.111   38.899  190.184   41.532  319.901  111.012  309.981   34.334  385.767   76.444 -75.78561 83.80037 
1 1 1    7    3   15 o  483.982  102.187  524.189  186.944   0.0000   0.0000  524.189  186.944  ?   ?   483.982  102.187      ?      ? 
1 1 1    7    3   16 o  295.345   42.751  167.475   36.049  161.877   39.099  199.218   93.103  286.231   35.004  304.459   78.009 -18.22766 85.50248 
1 1 1    7    3   17 o  466.663   51.289  465.180   46.280  467.324   48.132  438.926  168.442  487.839   25.283  445.487   99.413 42.35175 102.5777 
1 1 1    7    3   18 o  425.241   24.470  354.971   40.607  354.971   40.607   0.0000   0.0000  425.241   24.470  ?   ?       ?      ? 
1 1 1    7    3   19 o  445.184   21.347  393.819   35.375  402.069   44.140  379.006   59.147  452.432   25.000  437.935   34.609 14.49695 42.69415 
1 1 1    7    3   20 o  692.976   25.322  926.715   63.631  887.881   76.213  1016.07  115.610  671.324   29.092  714.628   41.456 -43.30365 50.64471 
1 1 1    7    3   21 o  551.101   23.092  615.181   47.821  666.317   61.569  537.428   75.921  581.780   27.119  520.421   37.383 61.35889 46.18357 
1 1 1    7    3   22 o  735.377   22.109  1045.31   62.512  942.106   80.447  1202.61   99.317  690.954   29.835  779.799   32.637 -88.84503 44.21886 
1 1 1    7    3   23 o  373.942   23.570  282.467   33.577  245.731   51.275  310.047   44.428  351.508   37.380  396.375   28.722 -44.86734 47.14055 
1 1 1    7    3   24 o  189.486   21.449   71.074   15.853   73.976   22.531   68.229   22.309  193.358   29.860  185.613   30.799 7.744827 42.89732 
1 1 1    7    3   25 o  302.007   19.930  180.141   23.197  177.386   30.403  183.980   35.887  299.586   26.006  304.427   30.208 -4.840912 39.85975 
1 1 1    7    3   26 o  122.854   24.238   31.156   12.676   17.863   18.468   42.997   17.431  101.671   36.538  144.037   31.856 -42.36603 48.47567 
1 1 1    7    3   27 o  154.897   22.345   48.149   13.269   64.915   20.026   35.025   17.717  180.303   28.461  129.491   34.456 50.81181 44.69027 
1 1 1    7    3   28 o  368.005   48.734  347.396   41.615  358.648   44.205  259.746  123.378  423.508   26.747  312.503   93.726 111.0046 97.46827 
1 1 1    7    3   29 o  183.137   30.091   76.599   20.428   55.186   37.081   85.930   24.478  160.128   51.924  206.145   30.427 -46.01752 60.18200 
1 1 1    7    3   30 o  144.783   25.769   44.730   14.477   44.926   21.833   44.576   19.340  144.762   38.121  144.803   34.683 -0.4154968E-01 51.53750 
1 1 1    7    3   31 o  527.926   44.908  726.588   63.932  791.753   72.185  489.500  137.688  624.337   29.628  431.515   84.789 192.8216 89.81657 
1 1 1    7    3   32 o  367.028   44.477  248.538   36.841  231.300   38.518  433.697  126.238  336.356   29.345  397.700   83.975 -61.34442 88.95411 
1 1 1    7    3   33 o  147.765   34.652   46.355   18.033   40.320   55.192   47.076   19.081  148.204   60.450  147.326   33.893 0.8781738 69.30332 
1 1 1    7    3   34 o  649.110   32.366  881.734   81.985  881.734   81.985   0.0000   0.0000  649.110   32.366  ?   ?       ?      ? 
1 1 1    7    3   35 o  327.242   25.899  229.191   32.307  228.116   51.150  229.904   41.671  323.372   40.533  331.113   32.249 -7.741058 51.79716 
1 1 1    7    3   36 o  258.707   26.040  138.998   25.651  170.644   42.333  120.638   32.245  279.739   38.779  237.674   34.765 42.06517 52.08092 
1 1 1    7    4    0 o  646.844   62.504  998.835  101.643  715.739  253.090  1053.28  110.987  563.810  118.779  729.878   38.966 -166.0679 125.0076 
1 1 1    7    4    1 o  187.721   22.823   70.064   16.294   66.963   21.815   73.977   24.505  184.507   30.298  190.935   34.141 -6.427948 45.64668 
1 1 1    7    4    2 o  810.087   42.159  1301.01  133.278  1301.01  133.278   0.0000   0.0000  810.087   42.159  ?   ?       ?      ? 
1 1 1    7    4    3 o  569.201   55.006  660.653   74.963  656.244   79.737  694.193  219.947  576.538   35.441  561.865  104.147 14.67328 110.0124 
1 1 1    7    4    4 o  352.794   42.077  208.472   37.957  193.742   40.239  327.394  114.335  313.420   32.899  392.169   77.457 -78.74921 84.15463 
1 1 1    7    4    5 o  734.699   93.888  1263.82  263.404  1172.69  364.746  1363.15  380.791  698.526  138.698  770.871  126.582 -72.34497 187.7769 
1 1 1    7    4    6 o  257.784   74.671  142.066   79.449  142.066   79.449   0.0000   0.0000  257.784   74.671  ?   ?       ?      ? 
1 1 1    7    4    7 o  403.425   55.860  362.819   81.304  389.865  100.803  312.473  137.534  436.307   59.204  370.542   94.744 65.76486 111.7205 
1 1 1    7    4    8 o  137.309   36.142   28.731   26.680   44.162   36.976   11.972   38.536  152.133   51.915  122.485   50.298 29.64802 72.28444 
1 1 1    7    4    9 f  187.242   37.157   77.961   29.318   97.222   36.324   41.962   49.659  215.734   44.619  158.751   59.428 56.98303 74.31429 
1 1 1    7    4   10 o  472.275   57.958  467.610   97.727  420.823  117.290  573.840  176.735  446.253   67.352  498.298   94.342 -52.04462 115.9164 
1 1 1    7    4   11 o  143.850   37.313   34.851   27.647   26.246   39.887   42.808   38.356  136.281   52.718  151.418   52.818 -15.13728 74.62527 
1 1 1    7    4   12 o  115.503   43.694   19.789   26.996   0.0000   0.0000   19.789   26.996  ?   ?   115.503   43.694      ?      ? 
1 1 1    7    4   13 o  222.108   68.531  102.987   65.333   0.0000   0.0000  102.987   65.333  ?   ?   222.108   68.531      ?      ? 
1 1 1    7    4   14 o  400.289   47.372  338.990   38.000  339.941   39.591  327.865  135.431  415.952   24.390  384.627   91.550 31.32480 94.74371 
1 1 1    7    4   15 o  247.693   37.396  133.541   22.379  135.953   23.596  111.944   70.604  263.216   22.972  232.169   71.176 31.04733 74.79164 
1 1 1    7    4   16 o  729.903   61.042  1054.47   82.865  1045.71   85.480  1191.07  337.571  728.739   30.058  731.066  118.325 -2.327942 122.0831 
1 1 1    7    4   17 o  489.013   25.483  469.624   48.630  469.624   48.630   0.0000   0.0000  489.013   25.483  ?   ?       ?      ? 
1 1 1    7    4   18 o  451.725   41.061  324.631   37.839  311.518   39.034  529.110  154.138  398.284   25.114  505.167   78.189 -106.8831 82.12278 
1 1 1    7    4   19 o  837.402   68.862  1395.81  102.298  1381.81  105.209  1638.35  437.888  836.811   32.218  837.993  133.903 -1.182068 137.7245 
1 1 1    7    4   20 o  989.892   35.840  1940.57  138.449  1940.57  138.449   0.0000   0.0000  989.892   35.840  ?   ?       ?      ? 
1 1 1    7    4   21 o  507.252   50.101  468.852   48.618  458.053   50.235  628.515  193.165  482.406   26.685  532.099   96.583 -49.69305 100.2016 
1 1 1    7    4   22 o  858.263   33.224  1457.81  111.276  1457.81  111.276   0.0000   0.0000  858.263   33.224  ?   ?       ?      ? 
1 1 1    7    4   24 o  331.893   20.857  216.007   26.374  209.111   33.590  227.093   42.589  325.508   26.443  338.279   32.262 -12.77103 41.71414 
1 1 1    7    4   25 o  803.272   35.851  1291.40  112.381   0.0000   0.0000  1291.40  112.381  ?   ?   803.272   35.851      ?      ? 
1 1 1    7    4   26 o  202.473   22.573   82.062   17.333   70.165   23.237   96.983   26.024  184.462   33.516  220.484   30.246 -36.02135 45.14557 
1 1 1    7    4   27 o  305.033   25.084  185.926   29.152  199.982   47.245  177.284   37.046  313.173   38.658  296.892   31.975 16.28125 50.16816 
1 1 1    7    4   29 o  275.806   20.843  151.097   22.247  133.770   29.285  174.741   34.208  257.514   29.142  294.098   29.806 -36.58380 41.68505 
1 1 1    7    4   30 o  328.993   76.074  269.713   95.719   0.0000   0.0000  269.713   95.719  ?   ?   328.993   76.074      ?      ? 
1 1 1    7    4   31 o  277.836   76.352  200.021   85.339   0.0000   0.0000  200.021   85.339  ?   ?   277.836   76.352      ?      ? 
1 1 1    7    4   32 o  190.682   36.945  102.538   28.071  116.082   29.647 -14.8324   87.272  237.027   32.051  144.337   66.578 92.68983 73.89091 
1 1 1    7    4   34 o  328.036   44.823  288.097   40.749  298.169   44.669  238.139   99.481  379.080   30.195  276.991   84.407 102.0890 89.64533 
1 1 1    7    4   35 o  450.764   41.694  446.495   73.343  446.495   73.343   0.0000   0.0000  450.764   41.694  ?   ?       ?      ? 
1 1 1    7    4   36 o  401.533   56.315  479.461   68.902  486.858   77.418  451.281  151.107  467.127   42.469  335.939  104.317 131.1881 112.6306 
1 1 1    7    5    0 o  188.998   32.970   75.312   20.149   78.169   22.148   61.594   48.536  199.364   28.467  178.632   59.478 20.73164 65.93995 
1 1 1    7    5    1 o  645.977   86.158  952.071  209.209  924.269  293.681  980.716  298.101  635.396  122.885  656.558  120.799 -21.16217 172.3169 
1 1 1    7    5    2 o  144.572   36.456   36.230   26.013   31.517   36.719   40.978   36.856  139.459   51.312  149.686   51.800 -10.22783 72.91180 
1 1 1    7    5    3 o  156.880   38.727   44.766   29.175   42.581   41.218   46.961   41.302  154.588   54.688  159.173   54.849 -4.584915 77.45461 
1 1 1    7    5    4 o  395.260   91.804  345.509  138.895  345.509  138.895   0.0000   0.0000  395.260   91.804  ?   ?       ?      ? 
1 1 1    7    5    5 o  326.476   83.923  234.788  107.510  234.788  107.510   0.0000   0.0000  326.476   83.923  ?   ?       ?      ? 
1 1 1    7    5    6 o  217.459   68.194   98.729   64.397   98.729   64.397   0.0000   0.0000  217.459   68.194  ?   ?       ?      ? 
1 1 1    7    5    7 o  377.182   51.792  289.632   76.233  289.632   76.233   0.0000   0.0000  377.182   51.792  ?   ?       ?      ? 
1 1 1    7    5    8 o  147.191   53.338   38.103   39.459   0.0000   0.0000   38.103   39.459  ?   ?   147.191   53.338      ?      ? 
1 1 1    7    5    9 o  421.505   58.146  419.022   88.448  479.235  111.067  314.644  146.233  480.356   59.250  362.654  100.065 117.7016 116.2910 
1 1 1    7    5   10 o  225.525   44.339  108.674   39.019  108.639   47.798  108.743   67.558  225.789   54.800  225.260   69.719 0.5289307 88.67805 
1 1 1    7    5   11 f  122.442   31.324   25.420   18.644   25.843   23.095   24.630   31.588  118.783   41.010  126.102   47.360 -7.319527 62.64847 
1 1 1    7    5   12 o  530.208   64.096  621.432  121.188  632.584  149.333  599.920  207.404  551.532   69.383  508.883  107.793 42.64960 128.1926 
1 1 1    7    5   13 o  484.154  102.887  530.700  188.397   0.0000   0.0000  530.700  188.397  ?   ?   484.154  102.887      ?      ? 
1 1 1    7    5   14 o  574.827   59.752  796.312   89.501  844.497   98.490  567.893  214.439  652.427   38.684  497.226  113.070 155.2011 119.5040 
1 1 1    7    5   15 o  373.466   24.444  273.844   35.625  273.844   35.625   0.0000   0.0000  373.466   24.444  ?   ?       ?      ? 
1 1 1    7    5   16 o  866.813   33.440  1482.49  113.116  1482.49  113.116   0.0000   0.0000  866.813   33.440  ?   ?       ?      ? 
1 1 1    7    5   17 o  621.012   62.452  924.241   75.124  946.616   78.669  692.578  253.133  693.588   29.065  548.437  121.476 145.1504 124.9043 
1 1 1    7    5   18 o  1116.93   92.603  2597.76  171.210  2569.63  175.564  3143.94  773.569  1138.32   39.522  1095.55  180.941 42.77588 185.2068 
1 1 1    7    5   19 o  456.204   52.727  494.984   48.011  507.166   50.279  369.017  161.681  508.003   25.362  404.405  102.358 103.5977 105.4534 
1 1 1    7    5   20 o  328.891   44.553  221.750   31.665  221.162   33.086  228.160  109.231  335.398   25.279  322.384   85.446 13.01395 89.10684 
1 1 1    7    5   21 o  1023.63   82.234  1978.23  135.870  1938.21  138.816  2890.87  662.951  988.694   35.979  1058.57  160.484 -69.87390 164.4673 
1 1 1    7    5   22 o  497.184  108.945  572.979  205.536   0.0000   0.0000  572.979  205.536  ?   ?   497.184  108.945      ?      ? 
1 1 1    7    5   23 o  782.630   63.756  1098.38   86.131  1071.93   88.196  1643.81  400.452  736.106   30.703  829.154  123.761 -93.04797 127.5124 
1 1 1    7    5   24 o  744.945   65.339  1068.43   85.582  1047.59   87.862  1454.30  378.094  726.706   30.982  763.185  126.952 -36.47894 130.6776 
1 1 1    7    5   25 o  749.876   60.767  846.801   72.518  811.240   73.765  1871.65  395.995  638.901   29.586  860.851  117.877 -221.9500 121.5334 
1 1 1    7    5   26 f  251.914   48.901  132.299   27.148  132.296   27.811  132.358  125.101  257.844   27.639  245.984   93.816 11.86003 97.80295 
1 1 1    7    5   27 f  136.459   44.185   9.8314   18.922   9.8137   19.189   10.456  113.879   91.139   36.172  181.779   80.628 -90.63975 88.37035 
1 1 1    7    5   28 o  307.937   57.085  248.976   53.902  255.095   56.939  196.150  167.298  350.528   41.625  265.345  106.311 85.18246 114.1692 
1 1 1    7    5   29 o  275.126   56.626  147.160   29.073  144.124   29.493  251.613  172.980  267.491   28.253  282.762  109.672 -15.27145 113.2527 
1 1 1    7    5   30 o  245.128   40.745  174.916   46.576  235.966   53.587 -13.6776   94.184  335.736   40.900  154.520   70.483 181.2159 81.49030 
1 1 1    7    5   31 o  338.794   43.435  314.500   40.267  341.007   44.533  195.699   94.279  410.231   27.818  267.357   82.296 142.8746 86.87055 
1 1 1    7    5   32 o  280.594   30.895  162.361   33.830  162.361   33.830   0.0000   0.0000  280.594   30.895  ?   ?       ?      ? 
1 1 1    7    5   33 o  332.193   30.409  228.678   39.420  228.678   39.420   0.0000   0.0000  332.193   30.409  ?   ?       ?      ? 
1 1 1    7    5   34 f  241.094   22.953  119.608   21.370  137.330   33.286  107.180   27.873  255.542   33.379  226.645   31.514 28.89725 45.90536 
1 1 1    7    5   35 o  156.239   32.778   49.658   17.846   70.775   41.686   44.919   19.747  169.889   55.049  142.589   35.598 27.30000 65.55618 
1 1 1    7    6    0 o  380.511   45.454  311.698   44.789  316.139   48.379  285.060  118.472  400.297   30.970  360.724   85.471 39.57294 90.90885 
1 1 1    7    6    1 f  239.597   36.369  114.312   25.342  112.950   27.568  121.742   64.381  239.378   29.511  239.816   66.483 -0.4384613 72.73826 
1 1 1    7    6    2 o  604.996   84.129  853.122  191.528  825.431  268.683  881.730  273.094  593.857  120.066  616.135  117.876 -22.27844 168.2570 
1 1 1    7    6    3 o  316.522   58.460  220.301   72.998  223.281  103.399  217.339  103.072  318.683   82.499  314.361   82.851 4.322876 116.9202 
1 1 1    7    6    4 o  617.009   86.967  914.078  202.003  859.106  281.315  972.597  290.246  595.387  125.055  638.632  120.889 -43.24469 173.9336 
1 1 1    7    6    5 f  555.138   56.307  610.768  113.635  532.549  134.767  803.180  211.369  504.670   68.430  605.607   89.437 -100.9369 112.6130 
1 1 1    7    6    6 o  391.304   64.412  349.112   96.940  291.046  133.475  413.932  141.025  354.058   94.741  428.551   87.291 -74.49323 128.8237 
1 1 1    7    6    7 o  453.574   55.786  459.842   90.730  481.841  113.162  420.248  151.818  481.553   60.218  425.595   93.926 55.95758 111.5720 
1 1 1    7    6    8 o  931.206   76.128  2015.50  274.167  2373.62  422.075  1754.10  360.603  1000.88  108.063  861.535  107.257 139.3412 152.2551 
1 1 1    7    6    9 o  118.314   30.075   24.631   17.349   29.154   20.975   14.834   30.869  121.747   39.007  114.880   45.789 6.866936 60.15069 
1 1 1    7    6   10 o  460.861   61.350  494.526  101.184  552.956  126.633  391.345  168.278  516.163   62.868  405.559  105.371 110.6036 122.7001 
1 1 1    7    6   11 o  191.406   40.327   75.423   31.301   75.615   38.444   75.045   53.914  190.104   50.836  192.709   62.617 -2.605515 80.65409 
1 1 1    7    6   12 o  503.745   66.618  522.896  130.958  522.896  130.958   0.0000   0.0000  503.745   66.618  ?   ?       ?      ? 
1 1 1    7    6   13 o  185.359   51.852   71.143   38.978   71.143   38.978   0.0000   0.0000  185.359   51.852  ?   ?       ?      ? 
1 1 1    7    6   14 o  452.853   98.641  455.110  169.385  455.110  169.385   0.0000   0.0000  452.853   98.641  ?   ?       ?      ? 
1 1 1    7    6   15 o  685.030   85.545  1047.72  222.004  1268.63  333.148  871.269  297.748  759.108  112.461  610.953  128.936 148.1552 171.0904 
1 1 1    7    6   16 o  598.805   58.143  754.640   65.593  754.866   68.070  751.712  245.385  619.543   28.155  578.067  112.827 41.47601 116.2868 
1 1 1    7    6   17 o  783.475   71.498  1345.42  100.763  1348.72  104.354  1299.82  387.454  827.002   32.335  739.948  139.291 87.05438 142.9950 
1 1 1    7    6   18 o  543.910   57.698  738.174   64.297  766.434   67.888  492.052  200.342  624.123   27.873  463.697  111.979 160.4260 115.3960 
1 1 1    7    6   19 f  245.829   36.650  163.814   24.190  178.453   25.873   62.148   68.185  301.582   21.984  190.077   69.925 111.5046 73.29926 
1 1 1    7    6   20 o  572.038   60.031  755.708   65.878  766.601   68.730  632.567  231.096  623.787   28.234  520.289  116.695 103.4976 120.0621 
1 1 1    7    6   21 o  986.171   96.171  2247.03  210.040  2229.46  222.298  2393.29  641.367  1049.41   54.283  922.938  184.524 126.4678 192.3428 
1 1 1    7    6   22 o  385.938   37.396  208.518   31.591  192.847   32.649  438.665  125.119  312.849   26.742  459.028   69.848 -146.1792 74.79221 
1 1 1    7    6   23 o  309.474   46.321  203.993   31.452  204.507   32.795  198.108  111.046  322.043   26.095  296.904   88.890 25.13971 92.64118 
1 1 1    7    6   24 o  302.497   43.313  130.148   25.955  121.123   26.679  289.611  112.148  247.396   27.634  357.598   82.099 -110.2014 86.62549 
1 1 1    7    6   25 o  229.680   44.341  130.594   32.184  139.667   33.716   37.500  107.995  264.350   32.683  195.009   82.439 69.34123 88.68153 
1 1 1    7    6   26 o  592.652  158.796  1209.02  374.678   0.0000   0.0000  1209.02  374.678  ?   ?   592.652  158.796      ?      ? 
1 1 1    7    6   27 o  315.098   58.824  214.921   54.001  205.260   57.386  289.655  159.604  312.985   46.984  317.211  107.859 -4.226288 117.6481 
1 1 1    7    6   28 o  406.819  133.458  602.349  244.695   0.0000   0.0000  602.349  244.695  ?   ?   406.819  133.458      ?      ? 
1 1 1    7    6   29 o  185.270   34.667   72.239   24.143   72.239   24.143   0.0000   0.0000  185.270   34.667  ?   ?       ?      ? 
1 1 1    7    6   31 o  140.207   44.370   23.688   21.778   25.531   22.040 -52.3664  141.572  114.112   40.025  166.302   79.201 -52.19059 88.74021 
1 1 1    7    6   32 o  282.765   50.079  236.576   38.108  241.540   39.404  164.837  149.798  342.731   29.462  222.800   95.727 119.9305 100.1579 
1 1 1    7    6   33 o  195.235   42.309   98.246   29.833  102.712   31.117   47.458  104.944  219.769   36.283  170.702   76.445 49.06700 84.61812 
1 1 1    7    6   34 o  159.422   48.351   40.440   41.357   33.135   44.892   81.426  106.339  135.766   54.831  183.077   79.654 -47.31071 96.70203 
1 1 1    7    6   35 o  210.363   48.941  135.563   48.569  149.834   52.692   54.934  125.249  246.241   56.088  174.484   80.218 71.75764 97.88142 
1 1 1    7    7    0 o  243.883   72.514  127.696   74.088   0.0000   0.0000  127.696   74.088  ?   ?   243.883   72.514      ?      ? 
1 1 1    7    7    1 o  429.402   97.621  422.686  159.879   0.0000   0.0000  422.686  159.879  ?   ?   429.402   97.621      ?      ? 
1 1 1    7    7    2 o  233.638   50.095  116.530   49.644  116.657   70.216  116.403   70.199  233.750   70.842  233.526   70.847 0.2232819 100.1895 
1 1 1    7    7    3 o  401.506   66.897  370.695  103.095  364.186  145.394  377.277  146.206  397.638   94.998  405.374   94.214 -7.735565 133.7947 
1 1 1    7    7    4 o  176.656   42.127   61.490   34.473   56.610   48.549   66.451   48.958  171.735   59.450  181.576   59.702 -9.841766 84.25403 
1 1 1    7    7    5 o  476.353   53.075  448.449   92.255  384.927  109.618  602.688  170.813  428.210   65.599  524.496   83.454 -96.28665 106.1496 
1 1 1    7    7    6 o  659.751   90.026  1085.23  225.666  860.289  298.919  1383.33  344.110  566.467  136.772  753.036  117.098 -186.5689 180.0514 
1 1 1    7    7    7 o  127.796   33.977   25.596   23.015   27.214   31.936   23.846   33.197  128.916   47.776  126.675   48.324 2.240952 67.95441 
1 1 1    7    7    8 o  568.257   49.371  671.277  108.103  838.207  164.394  544.098  143.491  631.321   66.727  505.194   72.784 126.1272 98.74210 
1 1 1    7    7    9 o  611.370   52.485  785.967  124.131  940.808  184.199  657.147  168.011  668.383   70.621  554.357   77.663 114.0253 104.9706 
1 1 1    7    7   10 f  688.956   79.344  1141.98  193.076  1279.83  245.015  916.136  313.613  774.772   81.038  603.139  136.435 171.6326 158.6870 
1 1 1    7    7   11 o  231.673   43.308  116.465   39.043  127.066   48.230   96.311   66.500  246.720   51.746  216.626   69.460 30.09393 86.61610 
1 1 1    7    7   12 o  556.972   66.139  681.399  131.068  697.028  161.455  651.194  224.454  580.705   71.247  533.240  111.452 47.46484 132.2789 
1 1 1    7    7   13 o  209.265   46.209   88.971   42.052  101.831   60.168   76.690   58.797  221.156   65.247  197.374   65.453 23.78151 92.41853 
1 1 1    7    7   14 o  296.290   55.338  187.809   65.478  154.821   91.386  222.611   93.865  270.156   80.583  322.424   75.866 -52.26877 110.6765 
1 1 1    7    7   15 o  796.155   99.031  1480.84  300.173  1671.98  441.312  1316.27  409.489  853.934  132.431  738.376  147.277 115.5579 198.0616 
1 1 1    7    7   16 o  514.736   74.760  590.120  145.123  609.165  208.006  572.058  202.570  523.140  105.529  506.332  105.924 16.80792 149.5201 
1 1 1    7    7   17 o  415.378   48.722  368.502   42.225  370.578   44.195  346.755  143.030  434.251   26.080  396.504   93.888 37.74655 97.44308 
1 1 1    7    7   18 o  293.865   31.695   97.320   24.988   73.460   26.300  318.720   80.113  189.463   36.898  398.267   51.546 -208.8044 63.39100 
1 1 1    7    7   19 o  372.340   49.806  283.247   57.453  277.627   64.309  305.472  127.886  372.906   44.191  371.775   89.273 1.131439 99.61179 
1 1 1    7    7   20 o  289.653   45.847  185.666   47.875  202.187   57.061  146.384   87.988  317.734   46.020  261.571   79.309 56.16299 91.69376 
1 1 1    7    7   21 o  206.693   35.264  114.438   23.164  127.334   24.667   18.224   67.377  254.430   24.844  158.956   66.008 95.47354 70.52899 
1 1 1    7    7   22 o  377.064   46.190  281.113   37.145  277.371   38.801  322.160  128.510  375.135   26.505  378.993   88.496 -3.858337 92.38017 
1 1 1    7    7   23 o  169.930   38.977   50.290   19.065   49.865   19.807   55.637   70.322  155.512   33.618  184.349   70.332 -28.83710 77.95329 
1 1 1    7    7   24 o  232.439   43.562  134.948   31.858  145.005   33.541   42.177  101.869  269.841   31.852  195.037   81.092 74.80386 87.12312 
1 1 1    7    7   25 o  798.440   87.188  1496.63  109.898  1477.54  112.853  1847.05  483.465  858.250   33.695  738.629  171.089 119.6210 174.3754 
1 1 1    7    7   26 o  634.471  217.786  2344.77  650.861   0.0000   0.0000  2344.77  650.861  ?   ?   634.471  217.786      ?      ? 
1 1 1    7    7   27 o  562.481  206.257  2085.84  592.577   0.0000   0.0000  2085.84  592.577  ?   ?   562.481  206.257      ?      ? 
1 1 1    7    7   28 f  337.539   60.599  314.821   65.237  323.285   69.760  255.834  184.160  391.184   45.698  283.894  112.252 107.2892 121.1976 
1 1 1    7    7   29 o  164.980   36.190   57.974   22.659   57.974   22.659   0.0000   0.0000  164.980   36.190  ?   ?       ?      ? 
1 1 1    7    7   30 o  170.726   48.881   44.968   22.768   44.958   23.043   45.364  147.807  144.123   39.703  197.330   89.336 -53.20689 97.76160 
1 1 1    7    7   31 o  421.346   67.649  475.987   53.731  468.058   55.109  628.648  241.805  478.317   29.524  364.375  132.037 113.9422 135.2974 
1 1 1    7    7   32 f  187.967   40.396   95.127   28.882  103.106   29.810 -27.1862  116.714  221.528   34.482  154.407   73.064 67.12106 80.79202 
1 1 1    7    7   33 o  243.386   43.166  190.314   36.259  203.327   37.772   37.602  129.393  312.618   30.962  174.154   80.589 138.4643 86.33179 
1 1 1    7    7   34 o  351.548   60.219  417.036   73.613  426.971   79.991  362.087  188.126  434.494   47.177  268.603  110.814 165.8915 120.4388 
1 1 1    7    7   35 o  146.832   48.463 -14.7339   45.808 -37.0863   49.517  117.934  120.635   99.791   47.327  193.874   84.586 -94.08304 96.92560 
1 1 1    7    8    0 o  218.855   48.439  101.836   45.975  100.216   64.963  103.462   65.075  217.393   68.542  220.316   68.465 -2.922485 96.87823 
1 1 1    7    8    1 o  292.546   56.954  192.377   67.087  189.720   94.746  195.049   95.006  290.527   80.690  294.565   80.400 -4.038635 113.9085 
1 1 1    7    8    2 o  171.676   41.168   57.647   33.014   49.389   46.430   66.091   46.951  163.245   58.012  180.108   58.429 -16.86269 82.33654 
1 1 1    7    8    3 o  296.642   81.274  198.865   96.868   0.0000   0.0000  198.865   96.868  ?   ?   296.642   81.274      ?      ? 
1 1 1    7    8    4 o  125.140   32.241   24.867   20.393   36.365   31.573   16.636   26.713  139.077   47.954  111.204   43.108 27.87304 64.48175 
1 1 1    7    8    5 o  552.185   73.436  691.934  152.569  489.755  198.070  986.908  239.245  443.230  113.898  661.139   92.730 -217.9091 146.8726 
1 1 1    7    8    6 o  294.584   54.665  192.068   64.616  146.073   88.855  243.692   94.135  257.281   80.010  331.888   74.508 -74.60724 109.3299 
1 1 1    7    8    7 o  156.339   38.859   44.822   29.492   37.294   40.835   53.029   42.639  147.723   54.148  164.956   55.750 -17.23372 77.71812 
1 1 1    7    8    8 o  602.591   70.344  811.507  150.687  848.910  263.357  793.302  183.735  594.512  117.680  610.671   77.100 -16.15942 140.6874 
1 1 1    7    8    9 o  319.620   50.236  209.734   58.254  256.626  102.090  187.095   70.936  342.641   78.089  296.599   63.219 46.04245 100.4720 
1 1 1    7    8   10 o  664.880   87.517  1033.52  221.981  1162.05  324.188  920.053  304.585  713.141  116.491  616.618  130.640 96.52234 175.0340 
1 1 1    7    8   11 o  464.683   59.877  479.680   99.367  518.465  123.644  408.942  166.980  504.000   62.865  425.366  101.927 78.63376 119.7547 
1 1 1    7    8   12 o  881.685   95.261  1828.50  296.620  1849.90  364.684  1786.68  509.870  923.461  101.197  839.909  161.424 83.55237 190.5215 
1 1 1    7    8   13 o  540.360   63.457  637.527  122.285  668.821  151.993  580.095  205.902  571.979   68.094  508.741  107.100 63.23822 126.9141 
1 1 1    7    8   14 o  212.396   42.637   95.180   36.862  105.143   46.941   79.151   59.540  224.515   54.194  200.278   65.838 24.23729 85.27400 
1 1 1    7    8   15 o  280.805   48.940  161.548   54.629  235.430   82.652  104.234   72.797  335.038   65.564  226.573   72.677 108.4643 97.88053 
1 1 1    7    8   16 o  378.341   64.066  313.628   93.318  317.519  133.759  309.939  130.254  380.412   91.271  376.270   89.931 4.141235 128.1326 
1 1 1    7    8   17 o  188.342   62.555   69.405   53.699   0.0000   0.0000   69.405   53.699  ?   ?   188.342   62.555      ?      ? 
1 1 1    7    8   18 o  263.889   46.579  151.990   47.569  169.966   60.777  123.565   76.425  285.304   56.587  242.473   74.003 42.83054 93.15827 
1 1 1    7    8   19 o  425.551   51.208  432.654   48.442  446.855   51.343  317.517  146.191  476.334   27.621  374.768   98.622 101.5652 102.4167 
1 1 1    7    8   20 o  550.343   54.905  612.041   60.011  606.475   62.431  679.685  217.658  554.568   28.848  546.119  105.953 8.448181 109.8098 
1 1 1    7    8   21 o  441.450   51.527  428.719   48.025  432.285   50.392  393.417  158.549  468.242   27.578  414.657   99.295 53.58496 103.0531 
1 1 1    7    8   22 f  153.899   35.614   45.886   18.547   48.102   19.538   25.701   58.979  152.779   33.678  155.018   62.763 -2.239243 71.22820 
1 1 1    7    8   23 o  695.925  154.579  1377.69  408.884   0.0000   0.0000  1377.69  408.884  ?   ?   695.925  154.579      ?      ? 
1 1 1    7    8   24 o  345.698   48.035  245.035   34.519  242.112   35.888  281.171  126.197  349.561   26.309  341.836   92.398 7.725616 96.07009 
1 1 1    7    8   25 o  417.651   54.917  380.247   44.483  377.101   46.108  422.524  169.042  435.290   27.143  400.011  106.427 35.27890 109.8343 
1 1 1    7    8   26 o  317.824   57.174  248.681   60.150  252.675   65.831  228.490  148.016  346.727   48.653  288.922  103.482 57.80469 114.3485 
1 1 1    7    8   27 o  473.176  150.608  898.664  313.080   0.0000   0.0000  898.664  313.080  ?   ?   473.176  150.608      ?      ? 
1 1 1    7    8   29 o  388.144   63.692  414.783   49.161  415.302   50.434  404.889  220.186  453.352   28.507  322.937  124.153 130.4155 127.3837 
1 1 1    7    8   30 o  249.952   52.526  154.752   32.942  155.802   33.501  124.065  181.144  275.994   31.105  223.910  100.342 52.08331 105.0522 
1 1 1    7    8   31 o  177.256   65.051   74.894   58.960   74.894   58.960   0.0000   0.0000  177.256   65.051  ?   ?       ?      ? 
1 1 1    7    8   32 o  187.775   44.826   89.487   29.545   93.688   30.135 -14.6517  150.038  206.454   38.828  169.096   80.808 37.35861 89.65250 
1 1 1    7    8   33 o  223.876   55.762   93.806   31.963   86.121   32.648  271.155  156.839  194.281   44.075  253.471  102.446 -59.19029 111.5244 
1 1 1    7    8   34 o  267.987  113.033  393.333  202.283   0.0000   0.0000  393.333  202.283  ?   ?   267.987  113.033      ?      ? 
1 1 1    7    8   35 o  236.457   48.481  163.484   38.424  165.305   39.695  136.420  153.032  276.434   36.797  196.481   89.708 79.95296 96.96196 
1 1 1    7    9    0 o  604.672   90.778  942.054  207.583  949.296  294.157  934.871  292.979  607.346  128.140  601.997  128.617 5.348511 181.5551 
1 1 1    7    9    1 o  351.784   62.910  285.660   86.420  293.206  122.662  278.224  121.775  356.702   88.535  346.866   89.400 9.835388 125.8204 
1 1 1    7    9    2 o  779.920  124.331  1865.25  369.371  1793.78  516.009  1940.36  528.972  761.504  177.004  798.338  174.648 -36.83386 248.6613 
1 1 1    7    9    3 o  539.898   81.937  718.525  167.479  703.380  235.701  733.969  238.018  533.325  116.509  546.470  115.240 -13.14526 163.8739 
1 1 1    7    9    4 o  432.266   67.407  429.836  110.995  348.768  151.175  524.648  163.488  383.919   99.933  480.612   90.488 -96.69287 134.8138 
1 1 1    7    9    5 o  227.803   49.023  110.515   47.769  126.826   68.022   94.645   67.099  242.053   68.777  213.554   69.878 28.49850 98.04684 
1 1 1    7    9    6 o  418.107   67.696  400.177  108.232  443.752  155.535  359.266  150.704  442.329   93.054  393.885   98.345 48.44473 135.3912 
1 1 1    7    9    7 o  778.174   75.731  1273.64  211.935  1653.64  400.098  1125.43  249.870  836.036  122.634  720.312   88.892 115.7238 151.4621 
1 1 1    7    9    8 o  404.146   43.145  336.800   65.802  404.157   96.201  277.578   90.204  446.241   55.243  362.050   66.288 84.19028 86.28923 
1 1 1    7    9    9 o  637.942   54.324  850.328  135.024  917.480  194.224  787.517  187.841  663.277   75.037  612.607   78.573 50.67010 108.6478 
1 1 1    7    9   10 o  537.500   64.791  660.974  123.322  758.927  156.479  500.404  200.346  608.696   65.876  466.304  111.589 142.3916 129.5826 
1 1 1    7    9   11 o  410.309   54.662  355.501   80.597  356.170   98.726  354.164  139.554  419.081   60.367  401.537   91.146 17.54388 109.3240 
1 1 1    7    9   12 o  538.057   76.656  648.787  155.392  649.625  220.165  647.956  219.352  538.322  108.550  537.791  108.266 0.5313110 153.3122 
1 1 1    7    9   13 o  538.912   76.313  647.834  154.859  598.159  215.898  700.474  222.249  515.463  110.638  562.362  105.138 -46.89868 152.6268 
1 1 1    7    9   14 o  250.130   53.733  130.841   56.903  127.908   85.480  133.176   76.254  248.699   78.647  251.561   73.236 -2.861893 107.4656 
1 1 1    7    9   15 o  889.052  118.029  2002.32  394.360  2072.62  565.440  1935.74  550.287  905.518  166.136  872.586  167.696 32.93176 236.0574 
1 1 1    7    9   16 o  308.371   56.160  204.062   69.827  140.756   97.133  271.767  100.451  259.989   84.009  356.754   74.554 -96.76456 112.3207 
1 1 1    7    9   17 o  145.135   38.371   28.976   27.805   48.805   49.119   19.626   33.729  166.243   59.604  124.028   48.338 42.21508 76.74166 
1 1 1    7    9   18 o  805.105  104.583  1594.36  320.626  1836.76  476.947  1394.49  433.088  872.055  140.150  738.155  155.268 133.9005 209.1660 
1 1 1    7    9   19 o  282.899   44.182  176.377   49.964  250.331   67.851   88.768   73.850  352.815   49.280  212.983   73.346 139.8321 88.36371 
1 1 1    7    9   20 o  1053.85  108.374  2927.80  264.783  2993.30  285.022  2515.10  715.433  1209.44   60.390  898.265  208.165 311.1700 216.7482 
1 1 1    7    9   21 o  203.236   70.246   81.075   67.769   0.0000   0.0000   81.075   67.769  ?   ?   203.236   70.246      ?      ? 
1 1 1    7    9   22 o  798.275   77.297  1385.74  106.166  1372.11  109.478  1600.97  434.938  830.490   33.780  766.060  150.858 64.43030 154.5941 
1 1 1    7    9   23 o  865.854   34.451  1498.69  116.407  1498.69  116.407   0.0000   0.0000  865.854   34.451  ?   ?       ?      ? 
1 1 1    7    9   24 o  172.500   40.240   54.036   19.767   54.190   20.417   51.744   78.957  161.607   33.476  183.394   73.188 -21.78664 80.48045 
1 1 1    7    9   25 o  286.787   47.432  233.504   35.683  245.966   37.230   92.849  125.077  351.173   27.167  222.400   90.890 128.7731 94.86330 
1 1 1    7    9   26 o  259.934   28.927  135.730   29.342  135.730   29.342   0.0000   0.0000  259.934   28.927  ?   ?       ?      ? 
1 1 1    7    9   27 o  232.165   67.294  128.211   64.509  128.211   64.509   0.0000   0.0000  232.165   67.294  ?   ?       ?      ? 
1 1 1    7    9   28 o  190.048   49.401   59.032   21.645   58.312   21.906   88.776  140.754  165.891   34.941  214.204   92.417 -48.31253 98.80136 
1 1 1    7    9   29 o  270.562   59.547  111.986   29.063  105.719   29.441  350.730  181.727  227.054   33.228  314.070  114.364 -87.01624 119.0934 
1 1 1    7    9   30 f  392.049   66.087  530.119   89.816  551.071   96.431  392.943  246.745  499.535   49.467  284.562  122.567 214.9734 132.1734 
1 1 1    7    9   31 o  262.895   31.848  143.494   32.674  143.494   32.674   0.0000   0.0000  262.895   31.848  ?   ?       ?      ? 
1 1 1    7    9   32 o  315.823  144.518  1123.31  400.030   0.0000   0.0000  1123.31  400.030  ?   ?   315.823  144.518      ?      ? 
1 1 1    7    9   33 o  161.264   49.912   44.583   59.445   75.720   62.545 -246.3868  191.195  174.054   66.347  148.474   74.587 25.58067 99.82491 
1 1 1    7    9   34 o  230.693   49.360  150.281   38.978  151.913   40.177  124.159  160.746  264.297   38.954  197.089   90.709 67.20909 98.71935 
1 1 1    7   10    0 f  326.690   60.000  240.294   77.200  232.221  108.737  248.499  109.623  320.968   85.340  332.411   84.364 -11.44342 120.0008 
1 1 1    7   10    1 o  765.800  113.103  1620.98  327.097  1633.10  463.635  1608.98  461.543  769.150  159.691  762.450  160.211 6.699829 226.2055 
1 1 1    7   10    2 o  459.257   72.072  490.735  125.810  477.921  177.015  503.814  178.844  452.540  102.601  465.975  101.245 -13.43494 144.1441 
1 1 1    7   10    3 f  349.216   51.264  249.079   64.160  218.765   77.570  314.738  114.162  320.190   64.313  378.243   79.850 -58.05350 102.5287 
1 1 1    7   10    4 o  824.281   79.948  1427.23  234.532  1235.17  273.737  1957.38  454.795  749.821   93.550  898.740  129.673 -148.9188 159.8961 
1 1 1    7   10    5 o  187.699   40.894   71.929   31.864   73.105   39.096   69.601   54.993  187.221   51.773  188.176   63.316 -0.9550476 81.78827 
1 1 1    7   10    6 o  460.706   57.579  452.472   94.879  445.939  115.950  465.711  165.058  465.886   63.776  455.525   95.885 10.36133 115.1584 
1 1 1    7   10    7 o  521.486   60.150  559.878  112.271  658.504  200.673  514.942  135.453  543.884   98.159  499.088   69.547 44.79623 120.3001 
1 1 1    7   10    8 o  485.945   46.070  482.530   86.890  552.951  125.902  418.488  120.066  520.833   61.945  451.057   68.211 69.77643 92.14075 
1 1 1    7   10    9 o  481.034   46.087  472.151   85.971  544.342  124.268  405.883  119.062  517.434   61.542  444.634   68.618 72.80063 92.17323 
1 1 1    7   10   10 o  232.888   44.241  116.482   40.066  125.741   49.011   97.828   69.564  245.853   52.670  219.923   71.098 25.92960 88.48167 
1 1 1    7   10   11 o  183.100   39.152   63.849   28.630   55.658   34.420   82.239   51.577  165.710   49.461  200.489   60.706 -34.77960 78.30437 
1 1 1    7   10   12 o  879.810   95.582  1857.26  296.408  2055.98  375.366  1528.10  483.100  980.470   98.104  779.150  164.070 201.3198 191.1638 
1 1 1    7   10   13 o  326.973   51.280  226.588   61.111  226.461   75.159  226.835  104.978  329.971   60.601  323.974   82.740 5.996613 102.5595 
1 1 1    7   10   14 o  122.947   32.576   22.786   20.749   22.385   26.615   23.407   33.129  118.594   43.678  127.300   48.343 -8.706055 65.15254 
1 1 1    7   10   15 o  241.450   47.747  121.035   45.678  115.037   57.741  131.066   74.672  233.797   62.199  249.103   72.459 -15.30594 95.49345 
1 1 1    7   10   16 f  245.923   48.549  127.584   47.744  126.040   61.660  129.895   75.447  244.048   63.967  247.798   73.050 -3.750061 97.09844 
1 1 1    7   10   17 o  809.320  102.577  1581.88  314.235  1945.17  477.542  1304.44  417.315  903.727  135.407  714.912  154.120 188.8146 205.1537 
1 1 1    7   10   18 o  194.765   49.677   69.163   47.442   57.252   79.629   75.719   59.070  193.582   74.597  195.949   65.622 -2.366837 99.35307 
1 1 1    7   10   19 o  543.943   78.988  675.239  161.263  815.215  246.032  569.807  213.526  595.100  109.994  492.787  113.391 102.3130 157.9754 
1 1 1    7   10   20 o  443.923   53.938  471.234   80.189  554.934   98.028  301.944  139.412  524.748   47.870  363.098   96.672 161.6505 107.8755 
1 1 1    7   10   21 o  440.201   54.267  436.482   53.002  441.003   55.905  396.310  166.649  471.872   30.360  408.530  104.201 63.34186 108.5340 
1 1 1    7   10   22 o  729.927   77.872  1332.64  105.578  1346.47  110.079  1173.75  373.014  821.357   34.343  638.498  151.910 182.8598 155.7435 
1 1 1    7   10   23 o  168.988   49.285   31.154   52.913   11.490   80.709   45.977   70.073  163.204   70.197  174.771   69.199 -11.56732 98.57059 
1 1 1    7   10   24 o  648.427   30.912  842.362   78.220  842.362   78.220   0.0000   0.0000  648.427   30.912  ?   ?       ?      ? 
1 1 1    7   10   25 o  147.044   66.240 -14.9846   80.095 -14.9846   80.095   0.0000   0.0000  147.044   66.240  ?   ?       ?      ? 
1 1 1    7   10   26 o  203.015   29.701   83.105   23.531   83.105   23.531   0.0000   0.0000  203.015   29.701  ?   ?       ?      ? 
1 1 1    7   10   27 o  162.540   42.525   48.186   19.532   49.717   19.829  -1.7021  113.215  153.283   34.036  171.796   77.942 -18.51288 85.04903 
1 1 1    7   10   28 o  374.392   60.516  418.064   50.265  425.099   51.821  306.175  206.660  458.407   28.968  290.378  117.515 168.0284 121.0323 
1 1 1    7   10   29 o  227.469   52.352  110.019   27.676  109.747   28.010  121.259  179.862  231.703   30.978  223.235  100.016 8.468536 104.7036 
1 1 1    7   10   30 o  242.617   47.956  171.684   33.701  176.765   34.276   24.223  184.642  293.343   29.942  191.891   91.118 101.4520 95.91148 
1 1 1    7   10   31 o  453.529   29.286  424.194   51.832  424.194   51.832   0.0000   0.0000  453.529   29.286  ?   ?       ?      ? 
1 1 1    7   10   32 o  276.412   51.076  281.531   73.672  331.365   79.356 -29.4356  198.232  375.574   54.144  177.250   86.622 198.3238 102.1512 
1 1 1    7   10   33 o  135.106   46.120 -36.2069   60.002 -24.6979   66.384 -87.5764  140.248  121.380   56.693  148.832   72.760 -27.45219 92.23941 
1 1 1    7   10   34 o  173.015   47.207   69.570   32.218   70.684   33.111   49.748  139.658  172.255   47.650  173.776   81.506 -1.521042 94.41315 
1 1 1    7   11    0 o  348.578   61.467  269.958   83.345  264.220  117.518  275.764  118.220  344.690   87.278  352.465   86.576 -7.775482 122.9346 
1 1 1    7   11    1 o  736.151  101.659  1361.10  281.561  1348.64  397.128  1373.68  399.256  732.294  144.099  740.007  143.434 -7.713745 203.3177 
1 1 1    7   11    2 o  367.697   52.840  287.087   70.759  286.118   86.986  288.981  121.657  374.447   59.529  360.947   87.320 13.49985 105.6806 
1 1 1    7   11    3 o  424.135   56.023  376.479   85.588  360.484  104.340  409.379  149.642  419.185   63.784  429.084   92.120 -9.899231 112.0470 
1 1 1    7   11    4 o  160.482   37.314   50.792   26.744   56.767   33.186   39.721   45.170  166.366   48.279  154.598   56.907 11.76787 74.62783 
1 1 1    7   11    5 o  684.229   74.198  1021.14  180.257  985.120  218.677  1097.51  318.393  683.769   81.952  684.690  123.715 -0.9212646 148.3969 
1 1 1    7   11    6 o  430.143   57.712  400.525   89.078  413.129  109.544  375.921  153.051  450.194   62.353  410.092   97.132 40.10233 115.4231 
1 1 1    7   11    7 o  118.031   44.000   21.424   27.166   0.0000   0.0000   21.424   27.166  ?   ?   118.031   44.000      ?      ? 
1 1 1    7   11    8 o  377.335   41.607  288.353   61.171  305.404   86.333  271.162   86.686  388.990   56.873  365.680   60.746 23.31042 83.21378 
1 1 1    7   11    9 o  437.438   44.589  388.921   76.029  406.973  107.082  370.569  107.966  448.174   61.227  426.702   64.838 21.47183 89.17778 
1 1 1    7   11   10 o  316.836   49.979  205.600   56.953  192.529   68.742  234.215  101.707  303.794   60.113  329.877   79.862 -26.08270 99.95746 
1 1 1    7   11   11 o  120.978   31.944   22.564   18.906   24.015   22.256   18.803   35.836  115.914   40.245  126.042   49.619 -10.12833 63.88784 
1 1 1    7   11   12 o  320.594   49.472  207.812   56.996  189.072   68.875  248.528  101.520  300.788   60.768  340.401   78.084 -39.61362 98.94425 
1 1 1    7   11   13 o  722.808   78.851  1179.52  202.161  1228.25  250.805  1089.14  341.573  765.790   83.926  679.826  133.516 85.96417 157.7025 
1 1 1    7   11   14 o  545.582   64.968  642.786  126.393  645.202  155.104  638.010  218.066  559.785   71.002  531.379  108.822 28.40607 129.9363 
1 1 1    7   11   15 o  483.451   61.265  516.318  106.237  551.143  132.642  454.006  177.427  518.811   65.515  448.091  103.545 70.72058 122.5310 
1 1 1    7   11   16 o  491.698   62.720  550.111  111.523  639.340  143.752  415.219  176.748  557.968   66.019  425.428  106.662 132.5403 125.4404 
1 1 1    7   11   17 o  563.432   69.011  730.718  139.954  830.450  179.826  577.507  222.885  631.683   72.949  495.182  117.169 136.5012 138.0221 
1 1 1    7   11   18 o  253.737   55.856  134.534   60.369  153.692   95.112  121.609   78.122  267.241   82.725  240.234   75.074 27.00742 111.7119 
1 1 1    7   11   19 o  287.687   59.593  174.682   69.825  223.725  113.712  144.998   88.467  316.123   88.612  259.251   79.706 56.87198 119.1851 
1 1 1    7   11   20 o  244.712   59.740  115.048   64.218  156.882  119.957   98.242   76.031  270.071   93.452  219.354   74.445 50.71695 119.4791 
1 1 1    7   11   21 o  333.459   55.562  250.977   72.774  333.346  104.178  172.476  101.703  390.859   70.912  276.059   85.558 114.7998 111.1247 
1 1 1    7   11   22 o  662.420   33.403  877.441   86.347  877.441   86.347   0.0000   0.0000  662.420   33.403  ?   ?       ?      ? 
1 1 1    7   11   23 f  231.595   30.745  107.285   27.787  107.285   27.787   0.0000   0.0000  231.595   30.745  ?   ?       ?      ? 
1 1 1    7   11   24 o  425.753   29.093  363.156   48.337  363.156   48.337   0.0000   0.0000  425.753   29.093  ?   ?       ?      ? 
1 1 1    7   11   25 o  200.801   41.317   99.258   26.574  105.503   27.510   12.163  102.732  228.604   30.837  172.998   76.664 55.60570 82.63406 
1 1 1    7   11   26 o  204.433   43.028   99.141   26.387  103.180   27.179   32.889  110.078  225.702   30.858  183.164   80.332 42.53839 86.05521 
1 1 1    7   11   27 o  210.505   44.668  108.718   27.471  113.077   28.087   12.572  131.914  236.131   30.480  184.878   83.975 51.25227 89.33578 
1 1 1    7   11   28 o  329.596   59.853  345.531   83.196  390.722   93.511  173.933  182.218  416.346   57.554  242.845  104.962 173.5008 119.7056 
1 1 1    7   11   29 o  188.442   40.291   97.435   26.774  105.613   27.116 -221.2204  169.263  226.905   30.623  149.980   74.537 76.92528 80.58228 
1 1 1    7   11   30 o  151.467   48.518   12.552   60.547   49.394   65.297 -213.3992  161.706  159.230   65.441  143.704   71.649 15.52631 97.03650 
1 1 1    7   11   31 o  248.693   52.353  219.663   69.438  260.024   74.470 -49.1064  192.171  323.710   61.193  173.677   84.962 150.0327 104.7052 
1 1 1    7   11   32 o  269.677   48.286  243.639   39.276  250.857   40.051   62.493  200.637  348.037   29.489  191.316   91.960 156.7206 96.57254 
1 1 1    7   11   33 o  160.053   75.934  -2.0421  127.684   0.0000   0.0000  -2.0421  127.684  ?   ?   160.053   75.934      ?      ? 
1 1 1    7   12    0 o  727.270  137.930  1275.68  377.136  1275.68  377.136   0.0000   0.0000  727.270  137.930  ?   ?       ?      ? 
1 1 1    7   12    1 o  364.103   88.249  291.626  124.083  291.626  124.083   0.0000   0.0000  364.103   88.249  ?   ?       ?      ? 
1 1 1    7   12    2 f  606.294   73.987  761.683  175.054  761.683  175.054   0.0000   0.0000  606.294   73.987  ?   ?       ?      ? 
1 1 1    7   12    3 o  130.833   45.579   30.791   28.558   30.791   28.558   0.0000   0.0000  130.833   45.579  ?   ?       ?      ? 
1 1 1    7   12    4 o  640.012   76.451  850.314  190.942  850.314  190.942   0.0000   0.0000  640.012   76.451  ?   ?       ?      ? 
1 1 1    7   12    5 o  101.424   38.385   14.757   20.841   14.757   20.841   0.0000   0.0000  101.424   38.385  ?   ?       ?      ? 
1 1 1    7   12    6 o  433.422   62.391  381.425  105.527  381.425  105.527   0.0000   0.0000  433.422   62.391  ?   ?       ?      ? 
1 1 1    7   12    7 o  418.568   67.477  385.907  107.757  387.400  151.177  384.365  153.634  419.782   94.556  417.354   96.290 2.427948 134.9543 
1 1 1    7   12    8 o  526.719   63.102  591.651  117.934  591.324  143.804  592.323  206.100  537.969   68.498  515.468  105.997 22.50031 126.2041 
1 1 1    7   12    9 o  237.753   45.710  123.834   42.870  139.821   51.835   89.227   76.265  259.661   52.950  215.846   74.524 43.81502 91.41922 
1 1 1    7   12   10 o  826.439   81.068  1463.51  243.591  1384.72  293.110  1639.40  437.965  808.087   92.948  844.791  132.849 -36.70410 162.1364 
1 1 1    7   12   11 o  225.761   44.218  110.962   39.982  126.410   48.692   78.986   70.052  246.713   52.204  204.809   71.383 41.90344 88.43533 
1 1 1    7   12   12 o  196.918   41.699   73.092   32.095   62.673   37.996   99.038   59.959  175.252   51.889  218.585   65.289 -43.33293 83.39755 
1 1 1    7   12   13 o  281.809   44.887  180.791   49.425  232.629   62.871   96.929   79.967  341.072   47.236  222.547   76.341 118.5252 89.77331 
1 1 1    7   12   14 o  495.046   61.376  519.579  108.692  505.413  132.516  548.698  190.001  495.579   68.521  494.514  101.848 1.065247 122.7524 
1 1 1    7   12   15 o  242.001   53.443  122.804   56.145  112.066   80.354  133.046   78.481  233.709   76.469  250.293   74.681 -16.58394 106.8868 
1 1 1    7   12   16 o  774.943   87.533  1476.47  239.021  1772.08  311.707  1054.58  372.381  909.966   87.779  639.919  151.470 270.0474 175.0667 
1 1 1    7   12   17 o  524.807   66.773  624.431  127.688  681.523  163.430  534.973  204.575  571.208   73.317  478.405  111.620 92.80307 133.5457 
1 1 1    7   12   18 o  190.634   47.350   66.510   43.144   84.672   67.718   54.100   55.976  206.475   70.256  174.794   63.499 31.68149 94.69968 
1 1 1    7   12   19 o  916.822  141.607  2615.97  489.979  3362.33  765.558  2098.09  637.702  1039.63  195.884  794.016  204.547 245.6117 283.2138 
1 1 1    7   12   20 o  310.983  102.732  228.386  144.899  228.386  144.899   0.0000   0.0000  310.983  102.732  ?   ?       ?      ? 
1 1 1    7   12   21 o  195.598   80.510   48.563   99.017   48.563   99.017   0.0000   0.0000  195.598   80.510  ?   ?       ?      ? 
1 1 1    7   12   22 o  277.295   54.187  149.389   63.633  303.522  108.276   68.068   78.647  361.422   78.976  193.169   74.215 168.2528 108.3747 
1 1 1    7   12   23 o  319.868   49.419  263.522   40.023  272.905   42.350  185.119  122.427  369.148   29.398  270.589   94.365 98.55911 98.83802 
1 1 1    7   12   24 o  317.579   64.880  272.829   88.105  327.383  117.838  203.669  132.677  360.951   85.053  274.208   97.999 86.74219 129.7602 
1 1 1    7   12   25 o  445.358   62.915  590.416  107.769  786.529  137.235  274.922  174.063  595.531   59.051  295.185  111.113 300.3467 125.8298 
1 1 1    7   12   26 o  177.766   40.236   73.619   24.146   79.271   24.727 -42.3895  112.026  197.385   32.102  158.147   73.792 39.23828 80.47249 
1 1 1    7   12   27 o  149.583   44.039   29.146   16.340   29.217   16.497   25.447  118.728  117.823   33.996  181.342   81.253 -63.51958 88.07805 
1 1 1    7   12   28 o  358.800   56.956  428.882   96.605  582.379  117.303  105.325  170.307  502.006   59.878  215.595   96.905 286.4115 113.9118 
1 1 1    7   12   29 o  156.747   48.285   11.204   64.803   81.590   73.621 -230.9471  136.555  183.496   71.443  129.997   64.974 53.49876 96.56989 
1 1 1    7   12   30 o  142.279   45.086   26.712   17.979   27.373   18.085 -29.1803  166.258  113.526   36.204  171.032   82.586 -57.50620 90.17284 
1 1 1    7   12   31 o  246.246  112.359  350.733  239.586   0.0000   0.0000  350.733  239.586  ?   ?   246.246  112.359      ?      ? 
1 1 1    7   12   32 f  141.673   39.617   42.113   22.506   47.426   22.763 -188.9880  150.132  145.340   39.224  138.005   68.844 7.334900 79.23456 
1 1 1    7   12   33 o  309.763   49.477  348.579   46.856  362.017   48.544  165.353  179.247  416.275   29.883  203.252   94.335 213.0232 98.95480 
1 1 1    7   13    0 o  549.752   77.304  678.039  159.974  721.806  229.497  636.673  223.113  568.674  107.350  530.831  111.263 37.84216 154.6077 
1 1 1    7   13    1 o  643.747   72.349  924.129  165.581  973.028  206.169  835.273  277.916  685.460   77.074  602.033  122.462 83.42737 144.6978 
1 1 1    7   13    2 o  372.044   51.827  284.430   70.171  272.721   86.069  307.641  121.182  367.121   60.076  376.967   84.470 -9.846039 103.6546 
1 1 1    7   13    3 o  116.535   30.950   19.083   18.499   14.862   23.144   26.551   30.783  104.951   40.275  128.120   47.006 -23.16884 61.89973 
1 1 1    7   13    4 o  584.050   66.867  731.566  139.051  727.832  170.156  739.073  241.260  594.789   73.308  573.312  111.852 21.47791 133.7348 
1 1 1    7   13    5 o  696.571   74.898  1048.48  185.287  1023.46  225.342  1100.69  325.564  700.756   82.403  692.385  125.095 8.370728 149.7970 
1 1 1    7   13    6 o  212.163   44.952   93.833   38.999  100.613   47.191   79.228   69.264  219.575   55.148  204.751   71.002 14.82365 89.90350 
1 1 1    7   13    7 o  310.324   51.621  207.426   59.788  192.341   99.861  215.854   74.644  298.981   82.769  321.667   61.709 -22.68649 103.2413 
1 1 1    7   13    8 o  324.757   44.106  220.269   53.761  220.809   73.649  219.652   78.656  325.865   60.131  323.650   64.541 2.215302 88.21149 
1 1 1    7   13    9 o  498.285   46.625  505.730   90.617  496.689  125.772  515.489  130.673  493.875   65.258  502.695   66.612 -8.819794 93.25081 
1 1 1    7   13   10 o  624.440   69.030  826.333  152.903  792.220  184.805  900.361  272.238  618.337   76.587  630.542  114.870 -12.20508 138.0605 
1 1 1    7   13   11 o  840.525   90.915  1643.53  269.924  1668.31  331.960  1595.20  463.714  880.643   96.595  800.408  154.051 80.23505 181.8299 
1 1 1    7   13   12 o  527.169   64.716  613.051  121.042  638.339  149.108  564.185  207.274  557.199   68.574  497.140  109.774 60.05942 129.4320 
1 1 1    7   13   13 o  564.058   67.233  701.852  134.610  717.660  165.461  670.911  231.484  588.624   72.032  539.492  113.546 49.13171 134.4666 
1 1 1    7   13   14 o  517.828   64.881  640.758  119.207  831.500  155.671  370.343  185.354  637.650   62.560  398.006  113.686 239.6440 129.7624 
1 1 1    7   13   15 o  895.716  101.014  1768.07  353.090  1768.07  353.090   0.0000   0.0000  895.716  101.014  ?   ?       ?      ? 
1 1 1    7   13   16 o  530.999   70.202  586.157  145.471  586.157  145.471   0.0000   0.0000  530.999   70.202  ?   ?       ?      ? 
1 1 1    7   13   17 o  212.061   69.338   92.051   66.070   92.051   66.070   0.0000   0.0000  212.061   69.338  ?   ?       ?      ? 
1 1 1    7   13   18 o  397.446  104.570  374.438  164.377  374.438  164.377   0.0000   0.0000  397.446  104.570  ?   ?       ?      ? 
1 1 1    7   13   19 o  320.225  102.207  244.226  144.109  244.226  144.109   0.0000   0.0000  320.225  102.207  ?   ?       ?      ? 
1 1 1    7   13   20 o  294.341  104.014  207.583  149.064  207.583  149.064   0.0000   0.0000  294.341  104.014  ?   ?       ?      ? 
1 1 1    7   13   21 o  238.758   61.792  108.963   65.910  174.709  136.807   89.090   75.214  270.766   99.132  206.751   73.797 64.01451 123.5841 
1 1 1    7   13   22 o  278.253   61.260  184.879   73.979  244.808  113.745  140.943   97.393  312.527   88.985  243.979   84.218 68.54787 122.5190 
1 1 1    7   13   23 o  189.351   51.045   2.9397   56.603  178.516  102.723 -73.6159   67.830  265.078   86.447  113.624   54.308 151.4546 102.0902 
1 1 1    7   13   24 o  194.842   56.232   33.201   64.865  163.170  119.797 -20.7071   77.153  249.182   92.495  140.503   63.974 108.6792 112.4637 
1 1 1    7   13   25 o  133.428   39.350   22.305   14.150   22.654   14.325   8.2494   90.921  105.074   32.032  161.781   71.887 -56.70694 78.70084 
1 1 1    7   13   26 o  109.235   39.387  -0.2576   8.1372  -0.2471   8.1609  -2.0644  106.705   52.187   22.381  166.284   75.528 -114.0971 78.77425 
1 1 1    7   13   27 o  206.071   59.954   92.382   85.697  158.117  106.052 -31.3061  145.473  237.637   87.238  174.505   82.265 63.13245 119.9088 
1 1 1    7   13   28 o  323.133   53.910  332.051   90.430  507.125  114.682   44.240  147.041  458.101   64.151  188.165   86.659 269.9364 107.8198 
1 1 1    7   13   29 o  177.631   77.374   64.339  100.577   0.0000   0.0000   64.339  100.577  ?   ?   177.631   77.374      ?      ? 
1 1 1    7   13   31 o  184.669   39.573   94.426   26.607  101.322   27.141 -75.6509  134.791  220.181   31.588  149.156   72.568 71.02414 79.14536 
1 1 1    7   13   32 o  162.739   39.737   65.150   22.531   69.149   22.859 -70.9936  133.377  178.182   34.118  147.296   71.779 30.88617 79.47446 
1 1 1    7   14    0 o  476.934   60.271  495.670  103.559  528.492  129.790  438.163  171.797  509.714   65.250  444.154  101.354 65.56021 120.5419 
1 1 1    7   14    1 o  222.314   44.493  103.685   39.984  109.313   51.386   95.048   63.657  228.582   57.623  216.046   67.809 12.53600 88.98587 
1 1 1    7   14    2 o  754.845   80.034  1251.03  214.690  1229.40  261.919  1295.32  374.794  764.906   87.746  744.785  133.874 20.12128 160.0674 
1 1 1    7   14    3 o  836.532   88.395  1593.28  262.180  1612.59  322.690  1555.78  449.718  870.700   94.970  802.365  149.116 68.33582 176.7904 
1 1 1    7   14    4 o  665.274   66.373  896.614  160.966  822.803  192.682  1067.12  292.856  630.262   78.341  700.285  107.164 -70.02362 132.7454 
1 1 1    7   14    5 o  404.750   54.228  332.684   78.920  311.092   95.533  379.086  140.046  391.645   62.507  417.855   88.631 -26.21057 108.4554 
1 1 1    7   14    6 o  544.316   73.115  643.814  151.643  542.918  205.342  764.847  224.901  490.265  110.030  598.368   96.314 -108.1032 146.2296 
1 1 1    7   14    7 o  620.981   71.447  853.022  158.007  797.744  267.641  882.596  195.763  589.167  120.472  652.795   76.846 -63.62756 142.8946 
1 1 1    7   14    8 o  140.031   35.254   29.283   22.053   21.938   25.711   49.731   42.898  116.950   42.951  163.112   55.916 -46.16168 70.50784 
1 1 1    7   14    9 o  323.667   45.755  221.741   56.182  253.197   76.038  183.923   83.373  354.362   54.986  292.972   73.147 61.38965 91.50978 
1 1 1    7   14   10 o  289.569   57.100  175.023   62.230  175.023   62.230   0.0000   0.0000  289.569   57.100  ?   ?       ?      ? 
1 1 1    7   14   11 o  231.389   48.316  110.354   43.323  110.240   50.646  110.663   83.640  228.991   56.922  233.787   78.087 -4.796417 96.63155 
1 1 1    7   14   12 o  545.774   56.968  563.672  111.447  476.995  130.243  800.655  215.359  480.545   69.453  611.002   90.321 -130.4565 113.9368 
1 1 1    7   14   13 o  291.046   53.186  165.279   55.336  142.442   64.320  230.324  108.553  258.729   64.047  323.362   84.930 -64.63336 106.3728 
1 1 1    7   14   14 o  544.941   81.037  693.237  166.865  721.664  238.269  665.876  233.760  557.102  113.452  532.780  115.742 24.32202 162.0731 
1 1 1    7   14   15 o  952.509  148.477  2832.83  536.789  3147.63  788.462  2560.87  732.853  1010.24  206.956  894.775  212.957 115.4681 296.9536 
1 1 1    7   14   16 o  263.806   59.425  150.630   69.138  136.347   99.338  164.049   96.286  254.018   85.099  273.593   82.967 -19.57501 118.8498 
1 1 1    7   14   17 o  1060.66  127.047  2775.57  525.863  2775.57  525.863   0.0000   0.0000  1060.66  127.047  ?   ?       ?      ? 
1 1 1    7   14   18 o  536.216   77.475  624.482  162.119  624.482  162.119   0.0000   0.0000  536.216   77.475  ?   ?       ?      ? 
1 1 1    7   14   19 o  232.441   55.006   96.174   58.195  190.910  101.628   49.955   70.985  286.288   84.884  178.595   69.981 107.6925 110.0124 
1 1 1    7   14   20 o  169.277   49.373   23.372   45.750   74.461   94.707   7.8213   52.250  204.722   80.641  133.831   56.991 70.89058 98.74695 
1 1 1    7   14   21 o  446.642  107.534  536.589  185.181  536.589  185.181   0.0000   0.0000  446.642  107.534  ?   ?       ?      ? 
1 1 1    7   14   22 o  270.380   71.179  180.840   90.624  242.540  183.538  160.949  104.214  287.653  112.580  253.107   87.131 34.54608 142.3587 
1 1 1    7   14   23 o  179.377   51.370 -28.1635   49.376  182.501  114.717 -76.0654   54.703  261.547   91.338   97.207   47.042 164.3396 102.7401 
1 1 1    7   14   24 o  195.387   57.169   42.745   69.969  152.367  120.215 -13.4163   86.046  240.967   91.951  149.808   67.959 91.15855 114.3389 
1 1 1    7   14   25 o  236.307   57.721  137.063   74.033  227.387  100.603   30.369  109.339  292.835   83.793  179.778   79.408 113.0572 115.4427 
1 1 1    7   14   26 o  387.881   64.507  467.305  103.115  567.739  129.151  290.717  171.253  488.059   67.810  287.704  109.756 200.3547 129.0142 
1 1 1    7   14   27 o  192.143   84.256   73.275  121.048   0.0000   0.0000   73.275  121.048  ?   ?   192.143   84.256      ?      ? 
1 1 1    7   14   28 o  265.920   55.264  231.345   72.152  287.711   85.865   95.924  133.091  335.288   67.951  196.552   87.174 138.7358 110.5289 
1 1 1    7   14   29 o  297.312   56.794  293.207   73.428  322.698   84.384  201.246  149.012  365.096   59.227  229.528   96.924 135.5681 113.5875 
1 1 1    7   14   30 o  141.648   36.530   44.353   20.324   44.353   20.324   0.0000   0.0000  141.648   36.530  ?   ?       ?      ? 
1 1 1    7   14   31 o  191.578   44.082   88.923   25.611   90.385   26.057   47.371  138.946  207.378   32.199  175.777   82.073 31.60042 88.16339 
1 1 1    7   15    0 o  377.599   55.516  303.136   78.036  309.503   98.542  292.427  127.792  389.895   64.765  365.302   90.185 24.59332 111.0312 
1 1 1    7   15    1 f  236.123   52.094  103.660   51.031  157.639   89.892   77.990   61.988  272.117   79.600  200.129   67.223 71.98865 104.1878 
1 1 1    7   15    2 o  236.312   54.126  114.231   56.720  104.535   88.632  120.956   73.814  231.978   80.325  240.647   72.568 -8.669144 108.2510 
1 1 1    7   15    3 o  160.133   42.129   34.741   33.549   63.942   59.368   21.041   40.665  186.570   65.673  133.696   52.785 52.87317 84.25702 
1 1 1    7   15    4 o  180.323   45.428   54.710   40.582   80.255   61.692   35.222   53.882  201.865   67.049  158.781   61.314 43.08484 90.85695 
1 1 1    7   15    5 o  429.738   69.347  410.750  113.855  376.497  159.924  445.954  162.129  409.911  100.701  449.565   95.368 -39.65414 138.6934 
1 1 1    7   15    6 o  805.276  152.750  1610.64  462.455   0.0000   0.0000  1610.64  462.455  ?   ?   805.276  152.750      ?      ? 
1 1 1    7   15    7 o  575.501   68.331  725.375  140.789  709.985  239.853  733.464  173.899  556.497  114.272  594.506   74.956 -38.00964 136.6624 
1 1 1    7   15    8 o  339.333   53.492  251.441   69.907  198.938  107.867  289.461   91.793  301.919   86.876  376.747   62.435 -74.82773 106.9841 
1 1 1    7   15    9 o  691.049   78.992  1093.76  195.411  1013.80  325.296  1138.91  244.428  649.234  132.870  732.864   85.467 -83.63019 157.9839 
1 1 1    7   15   10 o  487.945  104.945  541.245  193.899  541.245  193.899   0.0000   0.0000  487.945  104.945  ?   ?       ?      ? 
1 1 1    7   15   11 o  385.851   56.730  305.522   76.137  288.039   89.131  352.715  146.437  375.643   60.802  396.059   95.792 -20.41638 113.4598 
1 1 1    7   15   12 o  598.372   72.601  809.722  152.904  829.482  186.791  769.590  266.201  629.105   76.085  567.638  123.670 61.46741 145.2011 
1 1 1    7   15   13 o  318.922   51.535  172.252   55.300  126.866   62.405  338.224  119.336  243.913   64.555  393.932   80.351 -150.0200 103.0704 
1 1 1    7   15   14 o  178.499   47.368   53.816   41.362   60.262   47.643   34.087   83.349  175.577   58.933  181.421   74.175 -5.843750 94.73700 
1 1 1    7   15   15 o  743.486   87.661  1393.33  230.738  1594.02  295.986  1082.43  368.397  853.457   88.870  633.514  151.128 219.9431 175.3217 
1 1 1    7   15   16 o  666.390   83.987  971.863  218.410  971.863  218.410   0.0000   0.0000  666.390   83.987  ?   ?       ?      ? 
1 1 1    7   15   17 o  196.016   52.021   67.373   53.324   54.462   69.706   85.587   82.796  181.798   69.864  210.235   77.097 -28.43704 104.0424 
1 1 1    7   15   18 o  206.048   53.001   81.912   55.579  109.566   82.238   58.662   75.408  225.357   77.411  186.739   72.416 38.61798 106.0027 
1 1 1    7   15   19 o  133.547   42.482 -10.7541   41.040 -23.1801   82.184  -6.6260   47.369  147.933   66.826  119.161   52.469 28.77174 84.96306 
1 1 1    7   15   20 o  172.576   59.208 -45.2001   37.520  152.716  199.468 -52.4598   38.202  261.954  111.447   83.198   40.025 178.7558 118.4166 
1 1 1    7   15   21 o  189.273   64.183 -20.9257   52.508  173.473  238.789 -30.8029   53.825  265.207  117.236  113.338   52.281 151.8698 128.3653 
1 1 1    7   15   22 o  156.997   58.504 -82.1356   43.485   37.799  260.560 -85.5718   44.104  233.520  110.090   80.475   39.634 153.0450 117.0070 
1 1 1    7   15   23 o  231.473   67.765  125.339   89.898  118.574  201.116  127.028  100.497  236.601  105.900  226.344   84.579 10.25679 135.5302 
1 1 1    7   15   24 o  165.171   55.424 -12.8588   67.524 -109.1822  204.077  -1.0170   71.554  187.588   90.801  142.753   63.583 44.83479 110.8489 
1 1 1    7   15   25 o  248.343   73.084  193.213  118.952  110.908  240.491  219.871  136.867  230.217  107.652  266.470   98.875 -36.25372 146.1687 
1 1 1    7   15   26 o  167.921   52.299   16.094   72.537   88.305   94.431 -87.8379  113.289  193.796   79.061  142.046   68.484 51.75067 104.5980 
1 1 1    7   15   27 o  233.606   55.689  171.194   69.621  217.129   82.308   55.678  130.523  283.448   73.717  183.764   83.493 99.68359 111.3787 
1 1 1    7   15   28 o  133.651   35.719   37.713   17.606   42.024   17.824 -135.1389  112.858  139.055   33.288  128.246   63.209 10.80956 71.43852 
1 1 1    7   15   29 o  128.271   40.466   20.318   15.402   20.965   15.533 -17.6297  118.946  101.123   33.646  155.419   73.606 -54.29640 80.93125 
1 1 1    7   15   30 o  212.284   52.011  146.216   60.332  172.969   65.236 -11.9053  158.599  256.233   65.108  168.336   81.127 87.89644 104.0223 
1 1 1    7   15   31 f  116.892   39.040   14.479   16.024   16.552   16.099 -207.9460  166.741   93.725   34.053  140.060   70.262 -46.33575 78.07906 
1 1 1    7   16    0 o   26.271   13.000 -25.2667   4.2026 -11.4509   4.9430 -61.3064   7.9835   26.271   13.000  ?   ?       ?      ? 
1 1 1    7   16    1 o  526.759   63.661  595.190  120.751  588.817  148.924  607.421  206.307  534.104   71.451  519.415  105.384 14.68903 127.3225 
1 1 1    7   16    2 o  178.155   43.911   58.848   37.772   69.181   51.394   46.711   55.701  186.973   61.155  169.337   63.029 17.63577 87.82108 
1 1 1    7   16    3 o  163.107   41.692   45.310   33.234   42.073   41.997   50.733   54.361  154.515   55.144  171.699   62.545 -17.18407 83.38356 
1 1 1    7   16    4 o  197.832   47.763   75.856   44.116   81.519   57.881   68.006   68.148  201.164   64.834  194.500   70.154 6.663528 95.52524 
1 1 1    7   16    5 o  492.863   73.608  546.681  137.039  500.293  188.081  599.175  200.078  469.344  105.282  516.383  102.901 -47.03928 147.2166 
1 1 1    7   16    6 o  825.030  106.698  1682.16  335.013  1463.37  451.883  1949.16  499.203  753.753  158.646  896.307  142.721 -142.5545 213.3962 
1 1 1    7   16    7 o  556.754   76.415  647.769  166.026   0.0000   0.0000  647.769  166.026  ?   ?   556.754   76.415      ?      ? 
1 1 1    7   16    8 o  224.998   53.078  102.643   55.792  126.266   73.363   70.240   85.920  243.968   72.066  206.027   77.947 37.94156 106.1569 
1 1 1    7   16    9 o  157.269   43.382   24.839   26.895   19.477   28.664   64.313   77.772  117.473   44.882  197.066   74.254 -79.59324 86.76405 
1 1 1    7   16   10 f  490.697   66.165  496.347  126.699  496.347  126.699   0.0000   0.0000  490.697   66.165  ?   ?       ?      ? 
1 1 1    7   16   11 o  524.975   54.174  418.605   90.051  307.940   98.890  955.990  217.915  380.411   69.162  669.539   83.402 -289.1283 108.3482 
1 1 1    7   16   12 o  174.614   48.501   26.952   40.281   12.045   44.987   87.231   90.462  130.862   54.106  218.367   80.510 -87.50417 97.00166 
1 1 1    7   16   13 o  467.464   79.014  524.849  142.791  584.061  198.137  460.868  205.963  501.052  104.706  433.876  118.361 67.17532 158.0279 
1 1 1    7   16   14 o  156.297   45.649   11.167   49.836   58.429   56.615 -151.4860  105.029  178.037   63.975  134.558   65.134 43.47929 91.29704 
1 1 1    7   16   15 f  261.415   62.645  149.225   79.031  196.520  107.199   92.913  116.973  292.872   87.258  229.958   89.910 62.91425 125.2906 
1 1 1    7   16   16 o  275.315   91.309  175.215  114.426   0.0000   0.0000  175.215  114.426  ?   ?   275.315   91.309      ?      ? 
1 1 1    7   16   17 o  150.531   47.262 -38.1507   53.710   47.587   93.240 -80.7283   65.707  190.142   78.179  110.920   53.133 79.22186 94.52499 
1 1 1    7   16   18 o  241.977   63.946  116.467   78.470  194.357  134.464   76.242   96.631  278.708   98.757  205.247   81.262 73.46068 127.8926 
1 1 1    7   16   19 o  174.537   51.851   34.659   57.638   47.755   96.583   27.415   71.832  187.703   78.578  161.371   67.672 26.33192 103.7016 
1 1 1    7   16   20 o  318.090   65.987  252.721   91.546  407.457  143.812  147.303  118.702  392.808   94.883  243.373   91.729 149.4344 131.9733 
1 1 1    7   16   21 o  242.094   64.993  124.687   78.103  239.945  147.419   79.710   92.090  285.912  103.173  198.276   79.068 87.63596 129.9864 
1 1 1    7   16   22 o  173.688   53.703 -38.4070   56.686  157.300  129.878 -84.4615   63.004  243.267   94.842  104.109   50.407 139.1586 107.4057 
1 1 1    7   16   23 f  126.788   43.250 -107.0331   52.906   5.7595  100.900 -149.8018   62.132  165.958   74.592   87.618   43.797 78.33997 86.49950 
1 1 1    7   16   24 o  129.861   42.784 -52.5349   53.965   6.7569   79.259 -103.7748   73.681  150.634   67.018  109.087   53.201 41.54700 85.56717 
1 1 1    7   16   25 o  196.117   56.489   63.862   65.611   11.120   79.309  178.231  116.789  150.161   66.906  242.073   91.035 -91.91217 112.9776 
1 1 1    7   16   26 o  173.019   51.136   61.570   59.289   86.204   73.262   14.817  100.930  185.688   71.554  160.350   73.073 25.33820 102.2719 
1 1 1    7   16   27 o  187.839   53.895   93.127   61.747  107.511   72.916   56.666  116.091  198.259   72.404  177.419   79.852 20.83937 107.7899 
1 1 1    7   16   28 o  134.370   39.439   30.703   16.643   32.588   16.782 -81.7229  129.602  122.373   33.950  146.367   71.199 -23.99382 78.87894 
1 1 1    7   16   29 o  136.969   41.864   29.545   17.779   31.123   17.895 -90.3061  155.975  119.507   35.662  154.430   75.754 -34.92284 83.72815 
1 1 1    7   16   30 o  145.644   46.261   29.377   17.841   29.595   17.920   4.9495  189.854  116.493   35.883  174.796   85.280 -58.30318 92.52184 
1 1 1    7   17    0 o  720.160   78.670  1188.75  202.564  1236.72  253.363  1103.77  337.231  763.132   85.077  677.187  132.355 85.94525 157.3405 
1 1 1    7   17    1 o  466.483  103.470  494.099  183.427   0.0000   0.0000  494.099  183.427  ?   ?   466.483  103.470      ?      ? 
1 1 1    7   17    2 o  402.610   59.918  351.343   88.106  344.300  109.854  364.041  147.511  402.148   72.675  403.071   95.284 -0.9226685 119.8355 
1 1 1    7   17    3 o   72.944   26.857  -2.2130   4.9984  -1.7323   5.0177 -64.4836   57.108   38.306   16.961  107.582   50.965 -69.27671 53.71330 
1 1 1    7   17    4 o  621.282   74.780  805.544  181.302  805.544  181.302   0.0000   0.0000  621.282   74.780  ?   ?       ?      ? 
1 1 1    7   17    5 o  269.101   53.960  162.599   58.034  181.534   68.911  116.413  107.624  292.977   62.196  245.225   88.196 47.75174 107.9209 
1 1 1    7   17    6 o  637.688   76.008  851.708  189.147  851.708  189.147   0.0000   0.0000  637.688   76.008  ?   ?       ?      ? 
1 1 1    7   17    7 o  382.002   51.381  305.260   72.145  280.866   91.404  345.569  117.498  364.215   66.770  399.789   78.113 -35.57419 102.7614 
1 1 1    7   17    8 o  482.237   45.460  425.800   80.604  319.496   96.551  670.269  146.418  394.504   62.716  569.971   65.828 -175.4663 90.92068 
1 1 1    7   17    9 o  657.369   57.919  905.079  147.189  806.153  192.757  1043.44  227.958  616.193   80.161  698.545   83.623 -82.35138 115.8387 
1 1 1    7   17   10 o  730.983   81.616  1188.53  206.507  1102.96  244.085  1404.04  387.361  713.495   87.663  748.471  137.694 -34.97552 163.2312 
1 1 1    7   17   11 o  179.813   49.203   54.568   39.790   65.267   42.128 -33.8625  121.116  178.339   55.031  181.286   81.580 -2.946777 98.40578 
1 1 1    7   17   12 o  333.590   59.929  198.982   63.367  166.525   69.541  357.819  153.839  277.432   65.315  389.748  100.499 -112.3157 119.8582 
1 1 1    7   17   13 f  141.363   44.857   2.4862   38.068   14.115   40.436 -88.1488  112.890  126.245   51.646  156.481   73.358 -30.23540 89.71445 
1 1 1    7   17   14 o  610.027   81.074  909.461  172.603  883.715  206.569  969.016  314.175  628.839   84.177  591.216  138.586 37.62286 162.1479 
1 1 1    7   17   15 o  158.029   47.206   18.282   49.818   51.217   55.128 -128.4168  116.346  168.876   62.734  147.182   70.555 21.69310 94.41167 
1 1 1    7   17   16 o  210.780   55.796   87.865   59.605   83.746   73.330   95.885  102.328  201.823   72.776  219.737   84.595 -17.91431 111.5920 
1 1 1    7   17   17 o  299.059   61.684  231.034   81.846  295.178  106.189  137.160  128.463  352.812   79.083  245.305   94.688 107.5080 123.3685 
1 1 1    7   17   18 o  372.660   82.261  422.268  137.141  325.182  195.547  516.239  192.385  323.566  118.510  421.755  114.118 -98.18860 164.5222 
1 1 1    7   17   19 o  180.873   54.928   36.551   69.570   47.578  101.925   26.933   95.194  187.316   79.679  174.429   75.627 12.88744 109.8552 
1 1 1    7   17   20 o  131.719   44.684 -92.4848   53.164   5.8371  106.507 -125.1122   61.354  171.238   76.825   92.201   45.656 79.03672 89.36752 
1 1 1    7   17   21 o  160.381   51.571  -4.4795   67.023 -42.5382  124.018   11.222   79.658  165.532   77.373  155.229   68.202 10.30257 103.1415 
1 1 1    7   17   22 o  137.923   45.467 -56.2099   57.136   16.947   95.367 -97.1715   71.361  166.777   73.889  109.070   53.004 57.70763 90.93373 
1 1 1    7   17   23 o  166.057   52.398   16.922   68.544   25.328  103.611   10.381   91.404  172.301   76.643  159.814   71.472 12.48737 104.7964 
1 1 1    7   17   24 o  138.823   46.830 -67.3321   68.752 -23.4351  107.353 -97.8563   89.520  154.712   72.205  122.934   59.655 31.77853 93.66060 
1 1 1    7   17   25 o  281.366   60.893  256.839   75.008  271.066   86.064  211.892  152.973  323.121   70.256  239.612   99.478 83.50821 121.7856 
1 1 1    7   17   26 o  148.046   47.992   0.1501   60.286 -20.7435   75.876   35.924   99.284  131.296   61.084  164.796   74.038 -33.50055 95.98387 
1 1 1    7   17   27 o  113.105   38.180 -79.5444   51.757  -1.4008   64.358 -222.6032   87.080  129.825   58.847   96.385   48.662 33.44042 76.36032 
1 1 1    7   17   28 o  155.091   51.340  -4.1181   70.410 -30.6920   84.333   57.031  127.928  132.656   62.567  177.525   81.415 -44.86903 102.6791 
1 1 1    7   17   29 o  180.603   38.625   72.985   26.398   72.985   26.398   0.0000   0.0000  180.603   38.625  ?   ?       ?      ? 
1 1 1    7   18    0 o  244.747   51.818  130.699   54.346  155.100   68.777   90.138   88.673  269.312   65.964  220.181   79.931 49.13138 103.6353 
1 1 1    7   18    1 o  273.569   54.964  160.734   60.054  157.622   75.622  166.046   98.815  270.540   70.805  276.599   84.087 -6.058960 109.9276 
1 1 1    7   18    2 o  118.929   36.819   3.4351   25.461   9.1232   27.601 -29.0459   65.955  105.105   42.795  132.753   59.927 -27.64757 73.63882 
1 1 1    7   18    3 o  483.425   68.332  484.228  128.910  484.228  128.910   0.0000   0.0000  483.425   68.332  ?   ?       ?      ? 
1 1 1    7   18    4 o  547.896   65.836  651.863  127.964  635.576  155.295  686.312  225.854  551.774   72.122  544.018  110.163 7.756042 131.6718 
1 1 1    7   18    5 o  143.580   42.625   16.675   28.705   16.918   30.655   14.945   81.784  117.164   45.966  169.996   71.796 -52.83192 85.24966 
1 1 1    7   18    6 o  292.997   56.317  201.521   63.945  225.895   74.130  130.651  126.403  327.545   60.214  258.448   95.187 69.09698 112.6333 
1 1 1    7   18    7 o  746.879   86.526  1206.92  252.192  1206.92  252.192   0.0000   0.0000  746.879   86.526  ?   ?       ?      ? 
1 1 1    7   18    8 o  519.502   70.383  566.273  142.688  566.273  142.688   0.0000   0.0000  519.502   70.383  ?   ?       ?      ? 
1 1 1    7   18    9 o  441.528  136.307  516.563  258.421   0.0000   0.0000  516.563  258.421  ?   ?   441.528  136.307      ?      ? 
1 1 1    7   18   10 o  234.594   61.959   61.624   44.465   49.843   46.152  214.046  166.010  163.629   57.871  305.560  109.576 -141.9302 123.9186 
1 1 1    7   18   11 o  130.929   49.475 -24.7839   10.034 -25.0498   10.055   39.240  156.015   36.439   18.119  225.418   97.276 -188.9796 98.94921 
1 1 1    7   18   12 o  635.951   82.408  900.622  204.516  900.622  204.516   0.0000   0.0000  635.951   82.408  ?   ?       ?      ? 
1 1 1    7   18   13 o  895.499  115.589  2045.47  403.937  2045.47  403.937   0.0000   0.0000  895.499  115.589  ?   ?       ?      ? 
1 1 1    7   18   14 o  161.395   51.399 -13.8728   43.779 -23.9726   46.597   62.138  127.831  108.775   49.601  214.015   90.040 -105.2400 102.7976 
1 1 1    7   18   15 o  190.699   56.276   51.633   60.235   56.843   67.129   30.103  136.463  178.189   68.540  203.210   89.276 -25.02150 112.5518 
1 1 1    7   18   16 o  400.662   71.703  460.867  117.333  525.476  143.253  329.180  204.517  475.612   77.182  325.711  120.864 149.9013 143.4055 
1 1 1    7   18   17 o  225.442   60.944  117.097   76.910  148.291   98.359   68.013  123.380  244.484   84.620  206.400   87.728 38.08447 121.8881 
1 1 1    7   18   18 o  173.902   54.144   16.741   72.462   47.318   96.391 -22.9974  109.885  183.616   77.768  164.187   75.355 19.42952 108.2880 
1 1 1    7   18   19 o  183.056   56.808   32.379   78.266   49.409  106.681   12.528  115.175  188.124   80.805  177.988   79.869 10.13528 113.6154 
1 1 1    7   18   20 o  210.458   63.144   80.977   92.358  138.042  130.547   23.793  130.682  232.817   93.687  188.100   84.684 44.71709 126.2880 
1 1 1    7   18   21 o  182.492   56.566 -16.5053   83.027  143.235  126.815 -136.3467  109.841  232.141   92.717  132.844   64.824 99.29688 113.1311 
1 1 1    7   18   22 o  153.219   50.717 -38.5031   75.495 -11.9229  111.597 -60.9325  102.514  163.038   75.233  143.400   68.035 19.63744 101.4331 
1 1 1    7   18   23 o  125.643   43.239 -113.6285   65.768 -43.2066  100.916 -165.6204   86.711  144.638   68.287  106.648   53.059 37.98968 86.47733 
1 1 1    7   18   24 o  190.972   58.655   77.395   84.262  142.657  118.450   10.532  119.894  215.388   88.285  166.557   77.250 48.83150 117.3108 
1 1 1    7   18   25 o  158.445   53.103 -22.9525   86.500   29.080  132.280 -61.8228  114.331  173.312   80.640  143.577   69.115 29.73489 106.2057 
1 1 1    7   18   26 o  115.900   56.334 -84.5291   80.716 -84.5291   80.716   0.0000   0.0000  115.900   56.334  ?   ?       ?      ? 
1 1 1    7   18   27 o  157.335   69.729   36.104   85.003   36.104   85.003   0.0000   0.0000  157.335   69.729  ?   ?       ?      ? 
1 1 1    7   18   28 o  129.797   44.953 -82.2274   71.865 -49.2978   83.353 -177.6088  141.859  125.316   59.980  134.277   66.974 -8.960838 89.90631 
1 1 1    7   19    0 o  248.943   66.436  133.399   65.743  133.399   65.743   0.0000   0.0000  248.943   66.436  ?   ?       ?      ? 
1 1 1    7   19    1 o  249.698   70.445  134.669   71.626  134.669   71.626   0.0000   0.0000  249.698   70.445  ?   ?       ?      ? 
1 1 1    7   19    2 o  516.673   71.332  560.998  143.824  560.998  143.824   0.0000   0.0000  516.673   71.332  ?   ?       ?      ? 
1 1 1    7   19    3 o  548.530   70.100  631.511  150.055  631.511  150.055   0.0000   0.0000  548.530   70.100  ?   ?       ?      ? 
1 1 1    7   19    4 o  219.177   64.434  102.138   58.771  102.138   58.771   0.0000   0.0000  219.177   64.434  ?   ?       ?      ? 
1 1 1    7   19    5 o  374.617   92.811  322.743  134.984  322.743  134.984   0.0000   0.0000  374.617   92.811  ?   ?       ?      ? 
1 1 1    7   19    6 o  258.225   65.693  144.707   66.357  144.707   66.357   0.0000   0.0000  258.225   65.693  ?   ?       ?      ? 
1 1 1    7   19    7 o  283.701   64.749  199.303   76.235  226.363   80.586 -31.1803  235.189  323.306   66.103  244.095  111.356 79.21010 129.4983 
1 1 1    7   19    8 o  247.292   68.970   80.059   50.014   74.032   51.249  200.646  229.247  189.149   61.012  305.435  123.713 -116.2862 137.9397 
1 1 1    7   19    9 o  211.634   62.786   61.181   48.757   63.346   50.016   19.815  218.654  177.813   60.380  245.456  110.102 -67.64316 125.5717 
1 1 1    7   19   10 o  213.412   62.723   57.508   48.041   54.876   49.540   99.042  196.788  169.084   59.941  257.741  110.200 -88.65703 125.4467 
1 1 1    7   19   11 o  199.862   59.093   54.582   46.090   55.675   47.620   38.386  183.303  168.269   58.843  231.454  102.496 -63.18517 118.1857 
1 1 1    7   19   12 o  381.416   73.011  332.992   91.360  306.578  100.295  461.736  221.423  367.458   72.517  395.373  126.744 -27.91473 146.0229 
1 1 1    7   19   13 o  216.737   62.214   64.752   54.855   53.750   57.931  160.173  170.604  170.633   64.126  262.841  106.631 -92.20798 124.4284 
1 1 1    7   19   14 o  146.680   48.266 -13.4360   51.067   6.7010   54.211 -172.0909  152.165  133.791   57.538  159.569   77.511 -25.77776 96.53299 
1 1 1    7   19   15 o  268.713   69.759  172.133   83.887  150.267   94.889  250.366  179.485  246.568   83.169  290.858  112.020 -44.28906 139.5190 
1 1 1    7   19   16 o  308.862   69.618  290.525  103.178  341.489  121.926  161.967  193.648  364.684   86.907  253.041  108.783 111.6434 139.2357 
1 1 1    7   19   17 o  355.473   77.163  395.938  118.169  411.401  144.824  365.136  204.400  387.536   96.209  323.411  120.667 64.12482 154.3266 
1 1 1    7   19   18 o  271.507   70.134  216.995  101.211  265.010  131.786  147.953  158.029  302.971   97.849  240.043  100.503 62.92865 140.2684 
1 1 1    7   19   19 o  366.608   94.093  564.450  186.987  384.213  268.577  733.993  260.487  300.650  128.649  432.565  137.344 -131.9149 188.1861 
1 1 1    7   19   20 o  156.894   53.338 -123.9008  100.832 -10.8556  128.965 -301.6834  161.730  173.865   80.455  139.922   70.049 33.94342 106.6768 
1 1 1    7   19   21 o  218.236   95.677  120.815  156.017  120.815  156.017   0.0000   0.0000  218.236   95.677  ?   ?       ?      ? 
1 1 1    7   19   22 o  207.580  100.191   59.636  244.074   59.636  244.074   0.0000   0.0000  207.580  100.191  ?   ?       ?      ? 
1 1 1    7   19   23 o  186.238   91.682 -44.7121  235.102 -44.7121  235.102   0.0000   0.0000  186.238   91.682  ?   ?       ?      ? 
1 1 1    7   19   24 o  240.877   99.487  232.015  151.869  232.015  151.869   0.0000   0.0000  240.877   99.487  ?   ?       ?      ? 
1 1 1    7   19   25 o  143.843   48.745 -72.9113   79.267   29.269  115.609 -163.5648  108.893  167.125   76.921  120.562   59.894 46.56301 97.48956 
1 1 1    7   19   26 o  149.298   48.133 -27.4063   70.700   84.613   92.331 -186.1810  109.924  181.436   76.438  117.160   58.518 64.27520 96.26585 
1 1 1    7   19   27 o  131.988   45.505 -80.3420   74.886 -56.8758   94.055 -120.9766  123.768  130.181   62.672  133.796   65.992 -3.615463 91.00945 
1 1 1    7   20    0 o  832.112  106.821  1986.44  317.941  2231.85  407.138  1602.85  509.005  968.815  107.688  695.411  184.516 273.4041 213.6419 
1 1 1    7   20    1 o  515.372   75.395  662.356  141.226  718.545  174.568  555.922  240.260  574.770   77.829  455.974  129.153 118.7966 150.7908 
1 1 1    7   20    2 o  502.521   71.652  587.990  127.752  574.185  153.405  619.228  230.761  514.426   76.416  490.615  121.230 23.81097 143.3045 
1 1 1    7   20    3 f  449.790   71.025  484.593  115.582  492.597  138.518  466.244  209.718  477.253   74.375  422.327  121.024 54.92642 142.0507 
1 1 1    7   20    4 o  435.689   70.719  448.886  109.211  444.705  127.787  460.212  210.334  454.142   72.104  417.236  121.679 36.90576 141.4384 
1 1 1    7   20    5 o  233.892   62.712  100.134   64.744   96.544   70.984  117.900  157.917  213.810   71.934  253.975  102.745 -40.16554 125.4240 
1 1 1    7   20    6 o  539.170   76.334  639.486  160.612  639.486  160.612   0.0000   0.0000  539.170   76.334  ?   ?       ?      ? 
1 1 1    7   20    7 o  180.144   57.172   30.304   42.864   35.478   43.798 -87.1709  208.699  147.067   55.649  213.221   99.889 -66.15401 114.3442 
1 1 1    7   20    8 f  511.206  167.615  954.333  385.993   0.0000   0.0000  954.333  385.993  ?   ?   511.206  167.615      ?      ? 
1 1 1    7   20    9 o  258.363   66.868  101.254   54.629   85.863   56.985  275.935  191.979  199.251   64.342  317.476  117.240 -118.2253 133.7357 
1 1 1    7   20   10 o  242.958   70.413   91.647   59.511   85.387   61.219  199.115  253.656  198.781   66.804  287.136  123.972 -88.35585 140.8259 
1 1 1    7   20   11 o  220.999   65.083   82.091   58.788   82.932   60.741   69.638  233.740  195.570   66.538  246.427  111.874 -50.85736 130.1659 
1 1 1    7   20   12 o  134.958   56.224   16.815   49.109   16.815   49.109   0.0000   0.0000  134.958   56.224  ?   ?       ?      ? 
1 1 1    7   20   13 o  357.000  117.315  399.217  189.048  399.217  189.048   0.0000   0.0000  357.000  117.315  ?   ?       ?      ? 
1 1 1    7   20   14 o  160.312   67.246   30.609   70.958   30.609   70.958   0.0000   0.0000  160.312   67.246  ?   ?       ?      ? 
1 1 1    7   20   15 o  152.253   66.998   7.5063   77.131   7.5063   77.131   0.0000   0.0000  152.253   66.998  ?   ?       ?      ? 
1 1 1    7   20   16 o  322.840   94.980  291.935  127.660  291.935  127.660   0.0000   0.0000  322.840   94.980  ?   ?       ?      ? 
1 1 1    7   20   17 o  356.648  103.452  379.809  152.405  379.809  152.405   0.0000   0.0000  356.648  103.452  ?   ?       ?      ? 
1 1 1    7   20   18 o  200.569   95.470 -23.5863  205.132 -23.5863  205.132   0.0000   0.0000  200.569   95.470  ?   ?       ?      ? 
1 1 1    7   20   19 o  214.918  101.638   53.226  225.269   53.226  225.269   0.0000   0.0000  214.918  101.638  ?   ?       ?      ? 
1 1 1    7   20   20 o  172.815   60.103 -119.4535  131.617 -92.5606  229.600 -132.6160  160.629  187.302   91.885  158.328   77.501 28.97429 120.2050 
1 1 1    7   20   21 f  263.827   70.805  258.183  121.134  407.681  158.602   48.883  187.661  332.676  107.333  194.977   92.373 137.6997 141.6091 
1 1 1    7   20   22 f  209.957   64.797  136.468   98.408  116.062  126.559  167.672  156.503  201.340   87.248  218.574   95.826 -17.23418 129.5946 
1 1 1    7   20   23 o  142.811   48.774 -96.2666   85.463   14.287  116.379 -225.6656  125.908  163.374   75.890  122.247   61.288 41.12756 97.54745 
1 1 1    7   20   24 o  147.956   50.830 -115.9750   91.783   49.035  136.904 -250.6867  123.699  178.324   82.651  117.587   59.192 60.73779 101.6609 
1 1 1    7   20   25 o  229.575   69.853  223.014  114.157  269.105  162.078  177.641  160.813  245.112  102.131  214.038   95.327 31.07426 139.7067 
1 1 1    7   20   26 o  178.002   58.361   66.014   94.464   89.930  152.439   51.105  120.359  185.606   86.429  170.398   78.449 15.20808 116.7226 
1 1 1    7   21    0 o  171.397   50.293   29.092   43.861   22.473   48.304   60.185  104.695  140.104   56.774  202.689   83.032 -62.58495 100.5860 
1 1 1    7   21    1 f  283.112   61.191  208.622   81.580  263.867   94.998   53.440  159.216  340.751   73.593  225.473   97.782 115.2780 122.3818 
1 1 1    7   21    2 o  513.524   75.570  670.674  138.432  676.909  166.975  656.967  247.571  548.830   77.962  478.218  129.480 70.61249 151.1396 
1 1 1    7   21    3 o  361.910   67.038  356.859  102.122  421.021  121.204  199.843  189.607  437.249   71.033  286.571  113.713 150.6775 134.0759 
1 1 1    7   21    4 o  299.417   66.814  200.462   73.866  185.962   81.761  264.854  172.300  284.197   73.257  314.638  111.759 -30.44125 133.6289 
1 1 1    7   21    5 o  363.060   80.503  373.818  127.320  396.196  155.548  328.388  221.629  392.549  100.967  333.572  125.415 58.97693 161.0070 
1 1 1    7   21    6 o  376.773   85.476  356.509  135.560  239.999  161.539  633.907  249.257  299.756  108.027  453.791  132.494 -154.0346 170.9519 
1 1 1    7   21    7 o  262.452   69.263  149.721   69.035  149.373   71.922  153.794  246.137  254.041   70.210  270.862  119.417 -16.82088 138.5269 
1 1 1    7   21    8 o  610.338  129.079  1110.51  297.835   0.0000   0.0000  1110.51  297.835  ?   ?   610.338  129.079      ?      ? 
1 1 1    7   21    9 o  260.055   65.590  158.925   69.551  157.071   74.826  170.701  188.573  257.723   71.754  262.388  109.816 -4.665436 131.1800 
1 1 1    7   21   10 o  289.751   76.068  180.565   78.085  161.755   81.746  376.532  263.858  257.995   76.034  321.507  131.773 -63.51239 152.1359 
1 1 1    7   21   11 f  210.396   67.841   24.338   83.828   2.3189   89.856  172.118  232.787  160.372   71.354  260.420  115.405 -100.0478 135.6820 
1 1 1    7   21   12 o  227.415   71.067   77.311  101.587   48.051  113.481  195.345  227.926  191.684   82.840  263.146  115.498 -71.46211 142.1347 
1 1 1    7   21   13 o  299.936   83.887  279.085  135.955  209.922  163.066  436.779  246.226  266.820  105.588  333.052  130.383 -66.23145 167.7750 
1 1 1    7   21   14 o  217.299   68.861   53.453  108.926   3.1161  128.964  178.749  203.465  181.404   82.641  253.194  110.171 -71.78972 137.7217 
1 1 1    7   21   15 o  265.216   79.830  225.970  145.016  235.443  198.715  215.177  212.107  268.858  112.642  261.573  113.149 7.284393 159.6593 
1 1 1    7   21   16 o  234.598   67.994  149.402  103.240  188.073  120.568   43.121  199.878  256.424   93.186  212.771   99.041 43.65219 135.9886 
1 1 1    7   21   17 o  213.890   65.849  103.218  100.287  121.657  117.126   52.565  194.130  217.997   88.382  209.783   97.636 8.213470 131.6975 
1 1 1    7   21   18 o  195.879   63.091   57.804  104.293   81.198  124.849   3.7825  189.722  197.874   86.198  193.885   92.151 3.989563 126.1824 
1 1 1    7   21   19 o  185.526   60.322   45.002   98.782   58.314  123.198   21.037  165.305  184.943   82.824  186.109   87.723 -1.165848 120.6447 
1 1 1    7   21   20 f  170.210   53.968   6.2911   85.015  118.817  107.876 -178.1328  138.105  203.765   83.972  136.655   67.815 67.10912 107.9354 
1 1 1    7   21   21 o  177.906   55.504   48.692   84.147  128.376  104.376 -99.2573  142.224  206.248   83.498  149.564   73.151 56.68410 111.0087 
1 1 1    7   21   22 o  174.525   56.387   36.498   90.820  103.106  115.221 -72.7781  147.581  193.415   83.531  155.635   75.768 37.77989 112.7748 
1 1 1    7   21   23 o  166.828   55.471  -3.4369   97.011   82.574  128.116 -119.0316  148.524  186.031   83.792  147.626   72.712 38.40500 110.9420 
1 1 1    7   21   24 o  158.106   52.801 -51.1168   91.640  106.547  127.323 -220.5773  132.000  191.535   85.091  124.677   62.541 66.85816 105.6020 
1 1 1    7   21   25 o  215.634   66.563  178.022  113.466  323.311  161.726   37.179  159.232  257.788  104.086  173.480   82.998 84.30721 133.1258 
1 1 1    7   22    0 o  222.340   62.374   94.359   71.178   82.439   81.319  133.409  147.187  200.512   75.838  244.168   99.048 -43.65578 124.7473 
1 1 1    7   22    1 o  389.588  127.301  486.558  222.719   0.0000   0.0000  486.558  222.719  ?   ?   389.588  127.301      ?      ? 
1 1 1    7   22    2 o  358.527   86.740  404.343  147.460  462.803  209.739  347.201  207.362  384.863  123.353  332.190  121.981 52.67285 173.4799 
1 1 1    7   22    3 o  310.385   70.358  239.109   84.142  222.480   93.914  306.775  189.441  302.743   78.747  318.026  116.620 -15.28302 140.7169 
1 1 1    7   22    4 o  256.905   63.538  170.993   75.021  188.238   81.742   78.869  188.931  280.914   73.660  232.895  103.550 48.01865 127.0765 
1 1 1    7   22    5 o  198.820   60.836   56.262   60.026   58.479   62.988   34.331  198.089  174.967   66.608  222.673  101.821 -47.70639 121.6725 
1 1 1    7   22    6 o  314.686   73.638  294.427  101.623  307.882  110.199  217.928  262.760  352.854   81.648  276.519  122.571 76.33560 147.2755 
1 1 1    7   22    7 o  216.661   62.793   99.688   70.422  117.146   73.165 -120.1266  259.623  222.314   72.979  211.010  102.205 11.30402 125.5857 
1 1 1    7   22    8 o  189.939   61.102   18.887   77.301   13.483   84.739   45.681  188.677  161.220   70.601  218.657   99.747 -57.43684 122.2042 
1 1 1    7   22    9 o  246.482   67.852  109.472   62.530   90.332   65.834  285.935  199.899  198.962   69.209  294.002  116.728 -95.04039 135.7032 
1 1 1    7   22   10 o  149.301   52.568 -20.1653   45.192 -11.9387   45.950 -263.1868  249.746  112.188   50.388  186.414   92.275 -74.22630 105.1361 
1 1 1    7   22   11 o  229.852   67.825  108.032   72.553  102.413   76.216  162.304  236.872  208.395   74.297  251.308  113.495 -42.91307 135.6509 
1 1 1    7   22   12 o  353.153  142.945  600.724  305.844   0.0000   0.0000  600.724  305.844  ?   ?   353.153  142.945      ?      ? 
1 1 1    7   22   13 o  168.715   57.569 -28.3772   68.273 -30.0542   72.072 -13.7126  213.118  130.955   60.439  206.475   97.999 -75.52034 115.1378 
1 1 1    7   22   14 o  194.480   63.418   21.000   79.564   1.4468   86.016  136.856  209.381  153.747   69.005  235.212  106.422 -81.46504 126.8356 
1 1 1    7   22   15 o  215.766   66.845  107.253  103.321  125.731  117.800   45.645  215.101  219.542   88.767  211.990   99.966 7.552261 133.6891 
1 1 1    7   22   16 f  166.122   56.803 -56.5308   93.383 -62.4598  106.250 -36.4031  195.766  144.079   68.616  188.164   90.543 -44.08490 113.6058 
1 1 1    7   22   17 o  211.365   65.000  124.678  101.454  153.396  117.246   39.089  202.409  224.609   89.327  198.122   94.451 26.48761 130.0009 
1 1 1    7   22   18 o  137.563   47.715 -98.2729   76.133 -107.1221   90.060 -76.1130  142.516  119.290   58.316  155.835   75.539 -36.54466 95.43010 
1 1 1    7   22   19 o  161.850   54.041 -15.7318   82.447 -55.1904  100.681   64.597  143.652  137.667   65.899  186.033   85.669 -48.36650 108.0822 
1 1 1    7   22   20 o  161.012   53.761  -6.9086   88.644   16.916  115.023 -41.7545  139.107  163.585   75.798  158.438   76.261 5.147888 107.5223 
1 1 1    7   22   21 o  162.799   53.870  -6.7563   89.259   71.729  119.378 -106.2623  134.418  181.670   81.432  143.929   70.546 37.74162 107.7402 
1 1 1    7   22   22 o  237.550   71.550  237.274  124.118  380.529  177.324   99.676  173.788  281.124  110.469  193.976   90.962 87.14850 143.0995 
1 1 1    7   22   23 o  232.902   73.946  281.498  138.456  356.261  210.876  224.846  183.566  246.088  109.408  219.717   99.507 26.37085 147.8913 
1 1 1    7   23    0 o  398.126   98.036  617.112  186.830  594.558  261.354  640.683  267.177  390.820  137.769  405.431  139.515 -14.61105 196.0728 
1 1 1    7   23    1 o  355.560   90.226  456.078  159.539  485.794  226.491  426.815  224.764  367.717  128.344  343.404  126.849 24.31335 180.4516 
1 1 1    7   23    2 o  242.063   60.214  156.825   84.762  222.521   95.704 -82.2201  182.558  296.579   80.589  187.546   89.489 109.0327 120.4283 
1 1 1    7   23    3 o  323.753   74.245  268.112   89.130  238.467   97.793  413.554  216.607  307.113   80.587  340.393  124.720 -33.28058 148.4897 
1 1 1    7   23    4 o  202.768   61.330   73.700   74.860   90.672   80.442 -36.0184  204.533  201.513   75.598  204.024   96.594 -2.511459 122.6601 
1 1 1    7   23    5 o  266.508   72.025  212.488  109.549  248.872  122.884   71.621  241.798  299.029   94.269  233.986  108.922 65.04324 144.0506 
1 1 1    7   23    6 o  470.460  193.183  1802.98  568.417   0.0000   0.0000  1802.98  568.417  ?   ?   470.460  193.183      ?      ? 
1 1 1    7   23    7 o  250.387   69.400  173.412   95.917  191.862  105.895   89.115  226.349  267.376   87.799  233.397  107.501 33.97934 138.7991 
1 1 1    7   23    8 o  350.705  110.676  388.616  169.350   0.0000   0.0000  388.616  169.350  ?   ?   350.705  110.676      ?      ? 
1 1 1    7   23    9 o  252.242  104.905  183.279  170.547   0.0000   0.0000  183.279  170.547  ?   ?   252.242  104.905      ?      ? 
1 1 1    7   23   10 o  264.035   68.856  207.356  102.018  275.673  130.846  101.438  162.923  306.608   97.341  221.462   97.415 85.14555 137.7129 
1 1 1    7   23   11 o  186.560   59.147   24.548   82.363  -5.4390   99.175   91.202  147.858  159.868   72.691  213.252   93.326 -53.38380 118.2950 
1 1 1    7   23   12 o  194.186   62.682   37.330  104.066   71.118  123.319 -46.2581  193.961  197.765   85.911  190.607   91.300 7.158264 125.3648 
1 1 1    7   23   13 o  227.243   70.867  142.660  121.495  166.516  140.435   71.674  242.246  235.944   96.353  218.542  103.946 17.40190 141.7348 
1 1 1    7   23   14 o  241.772   72.967  206.402  130.518  266.735  158.996   81.740  228.546  270.317  105.062  213.226  101.285 57.09106 145.9337 
1 1 1    7   23   15 o  212.836   66.353  128.538  112.050  177.777  139.652   39.552  187.737  231.193   95.437  194.480   92.211 36.71347 132.7069 
1 1 1    7   23   16 o  139.633   48.398 -117.9839   79.201 -172.1419   97.229 -11.1748  136.543  112.449   55.984  166.817   78.963 -54.36816 96.79516 
1 1 1    7   23   17 o  168.306   55.521   2.9851   74.292 -33.1550   85.004  119.882  152.879  133.724   62.993  202.887   91.444 -69.16336 111.0414 
1 1 1    7   23   18 f  207.992   64.753  134.878   96.698  118.103  115.459  174.283  176.963  200.024   84.937  215.959   97.763 -15.93517 129.5063 
1 1 1    7   23   19 o  194.325   61.609   60.011   94.272 -37.6319  117.386  237.388  158.214  149.805   71.558  238.844  100.311 -89.03879 123.2189 
1 1 1    7   23   20 o  234.351   68.443  223.648  105.834  254.678  133.893  171.977  172.777  256.147   97.209  212.555   96.376 43.59207 136.8864 
1 1 1    7   23   21 o  131.431   45.168 -73.1214   71.337 -51.0333   87.877 -115.8061  122.161  128.322   61.463  134.540   66.204 -6.217789 90.33642 
1 1 1    7   23   22 o  252.676   77.707  376.241  144.682  483.790  211.241  281.209  198.569  278.725  116.405  226.626  102.973 52.09975 155.4140 
1 1 1    7   24    0 o  372.162   82.332  386.152  118.816  296.006  136.732  664.097  240.093  318.003   99.311  426.321  131.346 -108.3180 164.6649 
1 1 1    7   24    1 o  467.137  106.330  975.742  234.907  1228.27  335.168  731.941  329.327  555.573  150.752  378.700  149.992 176.8727 212.6591 
1 1 1    7   24    2 o  269.361   71.577  184.889   85.367  160.956   94.151  295.491  202.399  248.194   82.849  290.529  116.744 -42.33444 143.1545 
1 1 1    7   24    3 o  217.777   68.217   18.927  112.379 -100.8443  138.079  253.921  193.410  159.260   76.482  276.293  112.981 -117.0329 136.4342 
1 1 1    7   24    4 o  293.983   78.301  279.157  116.809  269.964  134.491  307.387  235.667  301.968   98.936  285.999  121.391 15.96924 156.6020 
1 1 1    7   24    5 o  198.868   65.096   2.9856  114.253 -52.3710  143.436   99.074  188.978  172.175   81.326  225.561  101.666 -53.38512 130.1913 
1 1 1    7   24    6 o  176.912   54.197   44.700   61.272   58.347   67.510 -19.0734  145.942  172.981   68.102  180.843   84.330 -7.861481 108.3943 
1 1 1    7   24    7 o  166.143   49.781   35.936   57.733   71.250   65.039 -95.2828  125.370  180.840   67.950  151.446   72.769 29.39412 99.56132 
1 1 1    7   24    8 o  206.257   59.500   98.466   76.241   70.734  120.891  116.780   98.242  197.387   85.403  215.126   82.870 -17.73840 119.0004 
1 1 1    7   24    9 o  245.433   60.584  177.596   82.000  236.780   98.773   46.356  147.086  295.421   82.508  195.445   88.736 99.97603 121.1673 
1 1 1    7   24   10 o  189.086   56.621   72.309   70.067   84.586   82.751   41.215  131.695  191.131   75.350  187.042   84.534 4.089355 113.2418 
1 1 1    7   24   11 o  180.170   55.949   53.945   73.056   74.464   83.649 -12.0317  149.997  183.511   74.586  176.829   83.414 6.681992 111.8973 
1 1 1    7   24   12 o  211.857   67.243  118.980  119.028  173.177  155.661   42.674  184.702  228.380   97.838  195.335   92.271 33.04491 134.4851 
1 1 1    7   24   13 o  265.806   75.150  278.840  113.545  253.215  134.952  340.945  210.094  266.071   98.289  265.542  113.709 0.5287476 150.3009 
1 1 1    7   24   14 o  167.248   54.484   21.235   72.353   5.7518   83.826   66.472  143.283  146.843   66.792  187.653   86.097 -40.81062 108.9676 
1 1 1    7   24   15 f  130.285   44.878 -91.6987   62.102 -132.5448   73.989   5.6748  114.239   99.976   49.617  160.595   74.795 -60.61883 89.75541 
1 1 1    7   24   16 o  153.329   51.388 -25.1990   71.633 -56.6569   84.353   56.161  135.656  125.919   60.286  180.738   83.238 -54.81981 102.7765 
1 1 1    7   24   17 o  185.107   58.263   81.082   84.681  102.995   99.560   23.760  161.025  192.339   80.086  177.876   84.645 14.46399 116.5270 
1 1 1    7   24   18 o  133.183   46.279 -91.8471   71.491 -107.7016   84.475 -51.8323  134.203  113.180   55.565  153.186   74.024 -40.00680 92.55830 
1 1 1    7   24   19 o  135.187   46.064 -68.8186   74.667  -6.9819   91.745 -190.1270  128.500  143.628   66.938  126.746   63.301 16.88169 92.12846 
1 1 1    7   24   20 o  138.902   66.469 -38.2850  102.254 -38.2850  102.254   0.0000   0.0000  138.902   66.469  ?   ?       ?      ? 
1 1 1    7   25    0 o  280.430   91.799  230.924  115.796  230.924  115.796   0.0000   0.0000  280.430   91.799  ?   ?       ?      ? 
1 1 1    7   25    1 o  145.939   65.435   0.5261   77.141   0.5261   77.141   0.0000   0.0000  145.939   65.435  ?   ?       ?      ? 
1 1 1    7   25    2 o  460.199  100.239  623.364  174.922  623.364  174.922   0.0000   0.0000  460.199  100.239  ?   ?       ?      ? 
1 1 1    7   25    3 o  257.787   86.886  189.331  103.560  189.331  103.560   0.0000   0.0000  257.787   86.886  ?   ?       ?      ? 
1 1 1    7   25    4 o  179.421   73.047   65.213   80.401   65.213   80.401   0.0000   0.0000  179.421   73.047  ?   ?       ?      ? 
1 1 1    7   25    5 o  230.354   83.653  147.578   97.134  147.578   97.134   0.0000   0.0000  230.354   83.653  ?   ?       ?      ? 
1 1 1    7   25    6 o  260.205   85.472  195.983  100.354  195.983  100.354   0.0000   0.0000  260.205   85.472  ?   ?       ?      ? 
1 1 1    7   25    7 o  167.135   69.205   52.413   73.755   52.413   73.755   0.0000   0.0000  167.135   69.205  ?   ?       ?      ? 
1 1 1    7   25    8 o  187.739   83.469   65.490  122.746   65.490  122.746   0.0000   0.0000  187.739   83.469  ?   ?       ?      ? 
1 1 1    7   25    9 o  216.248   64.030  108.042  107.481  269.167  143.132 -100.2837  162.752  271.350  101.028  161.146   78.695 110.2044 128.0610 
1 1 1    7   25   10 o  201.209   57.054  110.563   80.045  170.377   91.642 -81.9192  164.394  239.036   81.728  163.382   79.633 75.65439 114.1090 
1 1 1    7   25   11 o  209.326   57.647  128.146   84.875  206.270   97.719 -111.8305  171.266  258.717   84.312  159.935   78.641 98.78215 115.2944 
1 1 1    7   25   12 o  251.649   69.328  252.160  103.166  270.170  121.410  205.375  195.684  279.629   94.077  223.669  101.858 55.96027 138.6562 
1 1 1    7   25   13 o  192.013   60.580   94.856   92.233  114.847  110.477   48.870  167.555  198.726   83.661  185.299   87.639 13.42740 121.1602 
1 1 1    7   25   14 o  243.248   69.205  238.327  104.169  254.269  125.432  202.895  187.000  264.631   95.210  221.864  100.461 42.76717 138.4099 
1 1 1    7   25   15 o  160.604   52.930   13.521   78.025   33.118   91.527 -38.5932  149.256  159.336   71.370  161.872   78.183 -2.536316 105.8600 
1 1 1    7   25   16 o  146.517   49.337 -26.1200   74.938   7.3033   86.487 -126.7993  150.106  146.485   67.092  146.549   72.356 -0.6419373E-01 98.67429 
1 1 1    7   25   17 f  128.587   44.818 -112.2548   77.395 -78.4008   93.448 -186.1950  138.104  125.252   60.819  131.923   65.845 -6.671768 89.63546 
1 1 1    7   25   18 o  269.491   76.217  298.949  124.253  112.707  152.629  664.922  213.955  190.836   88.033  348.145  124.444 -157.3090 152.4339 
1 1 1    7   26    0 o  207.280   61.209  122.326   85.825  152.816   98.429   25.622  175.294  226.462   83.885  188.098   89.161 38.36398 122.4189 
1 1 1    7   26    1 o  219.855   62.304  150.331   90.971  204.505  107.957   17.647  168.952  254.877   88.628  184.833   87.590 70.04417 124.6074 
1 1 1    7   26    2 o  222.588   62.004  157.396   87.310  202.715  103.579   46.151  162.284  255.929   86.891  189.247   88.475 66.68179 124.0072 
1 1 1    7   26    3 o  184.518   56.886   72.944   73.741   87.805   83.793   21.912  155.279  187.602   75.211  181.434   85.367 6.168137 113.7729 
1 1 1    7   26    4 o  202.300   60.719  113.991   84.025  135.668   97.006   48.862  168.145  214.766   82.445  189.833   89.164 24.93292 121.4387 
1 1 1    7   26    5 o  198.838   58.713  108.879   80.251  143.094   92.445   4.2374  161.668  219.732   81.314  177.944   84.715 41.78758 117.4254 
1 1 1    7   26    6 o  292.991   68.150  340.016  106.516  401.739  127.441  196.968  194.012  361.570   90.526  224.411  101.896 137.1584 136.3003 
1 1 1    7   26    7 o  194.520   58.165  103.099   77.464  127.939   87.330   11.419  167.774  209.738   78.751  179.303   85.621 30.43494 116.3299 
1 1 1    7   26    8 o  215.514   68.473  151.949  114.720   99.096  142.343  249.905  193.785  195.403   88.139  235.626  104.813 -40.22282 136.9460 
1 1 1    7   26    9 o  180.203   57.358   66.436   78.809   83.984   86.230 -22.5437  194.177  182.434   75.116  177.973   86.701 4.461426 114.7151 
1 1 1    7   26   10 o  194.151   61.284   97.509   85.053   97.182   94.328   98.935  196.694  189.693   78.381  198.609   94.231 -8.915497 122.5689 
1 1 1    7   26   11 o  230.951   66.484  199.669   95.092  207.463  106.941  170.230  207.837  249.417   88.105  212.485   99.588 36.93216 132.9672 
1 1 1    7   26   12 o  163.482   56.819 -84.7940  118.559 -146.6970  150.426   16.716  192.629  144.591   71.580  182.372   88.262 -37.78149 113.6388 
1 1 1    7   26   13 o  238.934   68.737  247.099  119.303  323.230  140.910   54.370  224.199  286.809  101.153  191.060   93.096 95.74861 137.4732 
1 1 1    7   26   14 o  165.704   55.648   14.676   90.238   33.821  101.820 -55.4018  194.808  161.830   73.611  169.577   83.476 -7.746460 111.2957 
1 1 1    7   26   15 o  186.491   59.273   94.270   95.907  139.770  108.856 -63.5798  202.754  204.621   84.342  168.361   83.303 36.25986 118.5452 
1 1 1    7   27    0 o  238.950   59.273  180.199   93.929  326.274  117.131 -82.9730  157.218  320.045   90.013  157.855   77.143 162.1906 118.5466 
1 1 1    7   27    1 o  225.936   61.392  166.617   90.034  261.629  115.262   17.908  144.200  278.580   91.606  173.293   81.758 105.2871 122.7844 
1 1 1    7   27    2 o  187.715   57.303   89.900   77.431  110.949   93.591   44.234  137.850  197.294   79.349  178.135   82.695 19.15852 114.6069 
1 1 1    7   27    3 o  152.633   73.813 -60.8017  134.082   0.0000   0.0000 -60.8017  134.082  ?   ?   152.633   73.813      ?      ? 
1 1 1    7   27    4 o  243.819   68.244  236.542  101.843  257.710  119.864  181.590  193.128  271.406   93.444  216.231   99.485 55.17461 136.4880 
1 1 1    7   27    5 o  282.577   68.276  341.936  116.005  434.568  138.104  119.954  213.789  361.872   96.157  203.281   96.954 158.5914 136.5513 
1 1 1    7   27    6 o  269.034   66.466  303.910  110.295  381.478  127.841   78.079  218.133  341.782   93.255  196.287   94.735 145.4948 132.9330 
1 1 1    7   27    7 o  162.369   56.384 -85.8118  105.210 -156.2278  125.989   76.437  191.244  131.649   65.232  193.090   91.985 -61.44164 112.7674 
1 1 1    7   27    8 o  155.047   74.051 -28.7974  125.614 -28.7974  125.614   0.0000   0.0000  155.047   74.051  ?   ?       ?      ? 
1 1 1    7   27    9 o  329.865   98.634  386.888  136.788  386.888  136.788   0.0000   0.0000  329.865   98.634  ?   ?       ?      ? 
1 1 1    7   27   10 o  240.328   67.511  252.145  110.340  287.470  121.311   82.920  265.520  284.026   94.007  196.630   96.921 87.39626 135.0223 
1 1 1    7   27   11 f  256.652   73.812  319.093  119.959  309.368  133.015  361.467  277.649  282.871   98.377  230.434  110.066 52.43697 147.6234 
1 1 1    7   27   12 o  181.593   63.905 -66.6705  165.238 -297.8823  216.347  257.034  255.988  148.500   75.174  214.686  103.364 -66.18578 127.8092 
1 1 1    7   28    0 o  164.864   54.117   23.078   83.588   44.741  106.517 -11.6457  134.856  168.061   75.984  161.667   77.078 6.394562 108.2342 
1 1 1    7   28    1 o  148.831   51.331 -80.0528   96.416 -62.2793  142.857 -94.9215  130.663  154.326   74.996  143.337   70.107 10.98840 102.6618 
1 1 1    7   28    2 o  191.968   64.628   81.490  132.453  119.875  195.382   48.848  180.175  199.466   94.428  184.470   88.264 14.99597 129.2564 
1 1 1    7   28    3 o  196.468   94.221  102.302  207.959   0.0000   0.0000  102.302  207.959  ?   ?   196.468   94.221      ?      ? 
1 1 1    7   28    4 o  241.561   78.184  352.238  166.224  348.548  217.597  357.408  257.581  246.620  110.285  236.503  110.852 10.11732 156.3681 
1 1 1    7   28    5 o  161.824   56.769 -95.2110  113.782 -158.6605  134.731   62.576  212.465  134.418   66.751  189.229   91.843 -54.81020 113.5381 
1 1 1    7   28    6 o  256.669   74.196  304.861  114.427  279.661  125.912  424.390  274.228  272.223   95.655  241.115  113.448 31.10767 148.3925 
1 1 1    7   28    7 o  187.443   60.626   95.256   98.878  124.885  106.305 -94.8502  269.273  198.257   82.669  176.628   88.701 21.62947 121.2516 
1 1 1    7   28    8 o  174.475   77.741   70.911  107.077   70.911  107.077   0.0000   0.0000  174.475   77.741  ?   ?       ?      ? 
1 1 1    8    0    0 o   34.897   14.894   2.2773   5.2423   2.2773   5.2423   2.2773   5.2423   34.897   21.063   34.897   21.063 -0.000000 0.000000 
1 1 1    8    0    1 o  1433.57   33.120  4059.57  261.395  4059.57  261.395  4059.57  261.395  1433.57   46.838  1433.57   46.838 0.000000 0.000000 
1 1 1    8    0    2 o  389.212   16.959  299.652   36.111  299.652   36.111  299.652   36.111  389.212   23.984  389.212   23.984 0.000000 0.000000 
1 1 1    8    0    3 o  792.922   22.012  1237.73   95.989  1237.73   95.989  1237.73   95.989  792.922   31.130  792.922   31.130 0.000000 0.000000 
1 1 1    8    0    4 o  1415.64   47.101  4017.88  366.128  4017.88  366.128  4017.88  366.128  1415.64   66.611  1415.64   66.611 0.000000 0.000000 
1 1 1    8    0    5 o  744.429   21.248  1091.60   86.973  1091.60   86.973  1091.60   86.973  744.429   30.050  744.429   30.050 0.000000 0.000000 
1 1 1    8    0    6 o  1219.61  180.600  4097.65  1070.89  4097.65  1070.89  4097.65  1070.89  1219.61  255.407  1219.61  255.407 0.000000 0.000000 
1 1 1    8    0    8 o  278.727   71.215  211.113  100.459  211.113  100.459  211.113  100.459  278.727  100.714  278.727  100.714 0.000000 0.000000 
1 1 1    8    0    9 o   43.797   17.479   4.9691   6.4637   4.9691   6.4637   4.9691   6.4637   43.797   24.719   43.797   24.719 -0.000000 0.000000 
1 1 1    8    0   10 o  246.107   21.855  124.614   28.414  124.614   28.414  124.614   28.414  246.107   30.908  246.107   30.908 -0.000000 0.000000 
1 1 1    8    0   11 f  426.297   24.818  365.470   57.479  365.470   57.479  365.470   57.479  426.297   35.098  426.297   35.098 -0.000000 0.000000 
1 1 1    8    0   12 f  898.767   34.021  1617.45  167.643  1617.45  167.643  1617.45  167.643  898.767   48.113  898.767   48.113 -0.000000 0.000000 
1 1 1    8    0   13 o  275.532   23.740  155.641   34.669  155.641   34.669  155.641   34.669  275.532   33.574  275.532   33.574 -0.000000 0.000000 
1 1 1    8    0   14 o  527.246   26.295  554.850   75.637  554.850   75.637  554.850   75.637  527.246   37.186  527.246   37.186 0.000000 0.000000 
1 1 1    8    0   15 o  1400.14   32.737  3882.28  252.334  3882.28  252.334  3882.28  252.334  1400.14   46.297  1400.14   46.297 -0.000000 0.000000 
1 1 1    8    0   16 o  477.056   18.232  449.427   47.682  449.427   47.682  449.427   47.682  477.056   25.785  477.056   25.785 0.000000 0.000000 
1 1 1    8    0   17 f  748.013   21.560  1102.20   88.665  1102.20   88.665  1102.20   88.665  748.013   30.490  748.013   30.490 -0.000000 0.000000 
1 1 1    8    0   18 o  326.602   18.783  212.959   33.341  212.959   33.341  212.959   33.341  326.602   26.563  326.602   26.563 0.000000 0.000000 
1 1 1    8    0   19 o  107.931   42.089   32.185   36.444   32.185   36.444   32.185   36.444  107.931   59.522  107.931   59.522 -0.000000 0.000000 
1 1 1    8    0   20 o  333.694   19.665  222.703   35.637  222.703   35.637  222.703   35.637  333.694   27.811  333.694   27.811 0.000000 0.000000 
1 1 1    8    0   21 o  904.022   24.416  1613.14  121.413  1613.14  121.413  1613.14  121.413  904.022   34.530  904.022   34.530 -0.000000 0.000000 
1 1 1    8    0   22 o  239.927   21.701  118.338   27.449  118.338   27.449  118.338   27.449  239.927   30.690  239.927   30.690 0.000000 0.000000 
1 1 1    8    0   23 o  422.774   19.590  355.058   45.258  355.058   45.258  355.058   45.258  422.774   27.705  422.774   27.705 0.000000 0.000000 
1 1 1    8    0   24 o  233.269   25.776  114.634   30.767  114.634   30.767  114.634   30.767  233.269   36.453  233.269   36.453 -0.000000 0.000000 
1 1 1    8    0   25 o  534.650   20.980  567.617   61.467  567.617   61.467  567.617   61.467  534.650   29.670  534.650   29.670 -0.000000 0.000000 
1 1 1    8    0   26 o  496.757   21.531  492.168   58.520  492.168   58.520  492.168   58.520  496.757   30.450  496.757   30.450 -0.000000 0.000000 
1 1 1    8    0   27 o  190.278   26.313   79.373   24.608   79.373   24.608   79.373   24.608  190.278   37.212  190.278   37.212 0.000000 0.000000 
1 1 1    8    0   28 o  299.930   24.390  185.811   38.986  185.811   38.986  185.811   38.986  299.930   34.492  299.930   34.492 0.000000 0.000000 
1 1 1    8    0   29 o  360.187   20.768  262.339   40.652  262.339   40.652  262.339   40.652  360.187   29.371  360.187   29.371 -0.000000 0.000000 
1 1 1    8    0   30 o  162.833   29.481   62.296   22.902   62.296   22.902   62.296   22.902  162.833   41.693  162.833   41.693 -0.000000 0.000000 
1 1 1    8    0   31 o  237.049   26.246  120.473   31.824  120.473   31.824  120.473   31.824  237.049   37.118  237.049   37.118 0.000000 0.000000 
1 1 1    8    0   32 o  195.046   72.198  145.309  102.214  145.309  102.214  145.309  102.214  195.046  102.103  195.046  102.103 -0.000000 0.000000 
1 1 1    8    0   33 o  361.060   57.200  330.918   99.516  330.918   99.516  330.918   99.516  361.060   80.893  361.060   80.893 -0.000000 0.000000 
1 1 1    8    0   34 o   34.936   16.957  -6.9122   10.561  -6.9122   10.561  -6.9122   10.561   34.936   23.980   34.936   23.980 0.000000 0.000000 
1 1 1    8    0   35 o  223.944   25.446  109.025   29.013  109.025   29.013  109.025   29.013  223.944   35.986  223.944   35.986 0.000000 0.000000 
1 1 1    8    0   36 o  123.764   33.345   42.861   21.443   42.861   21.443   42.861   21.443  123.764   47.157  123.764   47.157 -0.000000 0.000000 
1 1 1    8    1    0 o  136.701   16.649   37.244   8.6712   34.052   12.189   40.514   12.338  129.598   25.007  143.803   21.986 -14.20503 33.29785 
1 1 1    8    1    1 o  767.404   21.548  1155.85   64.455  1206.02   93.956  1111.25   88.586  783.049   30.747  751.759   30.196 31.29028 43.09528 
1 1 1    8    1    2 o  1164.01   28.208  2678.34  128.053  2739.27  185.052  2622.36  177.381  1176.53   40.305  1151.48   39.475 25.05212 56.41587 
1 1 1    8    1    3 o  1141.98   27.830  2572.25  123.723  2695.30  182.802  2468.24  168.067  1166.78   40.148  1117.18   38.550 49.59766 55.65925 
1 1 1    8    1    4 o  986.046   92.083  2635.79  179.255  2758.15  189.928  1638.07  542.353  1179.31   41.270  792.779  179.483 386.5334 184.1664 
1 1 1    8    1    5 o  724.539   24.565  1049.05   67.291  1088.92   86.147  986.663  107.774  743.617   29.686  705.460   39.148 38.15704 49.13094 
1 1 1    8    1    6 o  456.664   99.068  466.604  171.470   0.0000   0.0000  466.604  171.470  ?   ?   456.664   99.068      ?      ? 
1 1 1    8    1    7 o  213.678   25.681   89.879   21.414   0.0000   0.0000   89.879   21.414  ?   ?   213.678   25.681      ?      ? 
1 1 1    8    1    8 o  353.040   88.286  282.447  121.315   0.0000   0.0000  282.447  121.315  ?   ?   353.040   88.286      ?      ? 
1 1 1    8    1   11 o  443.138   32.135  390.070   55.572  390.070   55.572   0.0000   0.0000  443.138   32.135  ?   ?       ?      ? 
1 1 1    8    1   13 o  818.696   32.004  1341.74  102.164  1385.71  148.221  1301.95  141.012  831.247   45.693  806.144   44.824 25.10248 64.00827 
1 1 1    8    1   14 o  259.395   18.797  126.192   18.230  112.398   22.290  154.057   31.680  239.199   23.879  279.591   29.036 -40.39174 37.59388 
1 1 1    8    1   15 o  758.719   26.365  1142.38   73.801  1146.96   90.810  1133.47  126.654  762.837   30.505  754.602   43.010 8.235168 52.72968 
1 1 1    8    1   16 o  389.204   19.961  273.093   28.257  234.734   33.440  368.871   52.840  345.766   24.783  432.642   31.297 -86.87653 39.92125 
1 1 1    8    1   17 o  1012.16   31.617  2033.66  117.561  2023.46  143.744  2054.27  204.303  1011.67   36.410  1012.65   51.699 -0.9728394 63.23356 
1 1 1    8    1   18 o  249.458   26.272  135.669   22.646   92.996   36.858  161.549   28.703  212.135   45.860  286.781   25.647 -74.64604 52.54415 
1 1 1    8    1   19 o  711.715   30.705  1008.70   85.255  1036.80  120.621  980.655  120.516  721.817   42.822  701.614   44.016 20.20282 61.40965 
1 1 1    8    1   20 f  858.531   29.531  1431.74   89.854  1384.28  105.976  1553.11  169.474  837.206   32.437  879.856   49.358 -42.64996 59.06268 
1 1 1    8    1   21 o  732.315   21.849  1055.65   62.351  1129.30   90.914  990.249   85.673  756.389   30.800  708.240   30.998 48.14893 43.69816 
1 1 1    8    1   22 o  783.515   22.888  1208.43   69.820  1318.94  102.665  1113.34   95.233  816.740   32.211  750.290   32.526 66.45001 45.77644 
1 1 1    8    1   23 o  479.607   21.268  458.690   39.389  494.235   53.429  416.370   58.299  500.670   27.346  458.545   32.580 42.12482 42.53536 
1 1 1    8    1   24 o  461.152   35.973  423.618   64.737  423.618   64.737   0.0000   0.0000  461.152   35.973  ?   ?       ?      ? 
1 1 1    8    1   25 o  840.406   34.894  1411.08  114.437   0.0000   0.0000  1411.08  114.437  ?   ?   840.406   34.894      ?      ? 
1 1 1    8    1   26 o  210.991   21.259   88.816   17.477   94.724   24.791   82.978   24.643  218.110   29.126  203.872   30.975 14.23792 42.51794 
1 1 1    8    1   27 o  404.065   21.748  329.194   34.026  344.320   46.060  311.024   50.483  415.137   28.432  392.993   32.918 22.14410 43.49645 
1 1 1    8    1   28 o  227.093   22.284  106.316   18.692  137.189   26.902   77.503   25.989  261.974   26.315  192.211   35.971 69.76320 44.56876 
1 1 1    8    1   29 o  930.336   38.293  1786.96  139.023   0.0000   0.0000  1786.96  139.023  ?   ?   930.336   38.293      ?      ? 
1 1 1    8    1   30 o  259.665   22.680  136.802   22.937  126.294   31.451  148.741   33.523  248.949   32.374  270.381   31.771 -21.43213 45.35984 
1 1 1    8    1   31 o  194.736   40.403   74.075   22.815  105.325   73.015   70.694   24.018  206.974   72.834  182.499   34.998 24.47591 80.80627 
1 1 1    8    1   32 o  141.799   40.969   35.153   20.242   38.109   20.508 -76.4434  126.010  132.489   37.806  151.110   72.695 -18.62091 81.93829 
1 1 1    8    1   33 o  195.668   25.449   83.438   18.723   64.375   26.760  101.718   26.205  169.572   40.910  221.764   30.280 -52.19205 50.89755 
1 1 1    8    1   34 o  260.317   25.216  144.482   25.371  123.082   35.824  166.017   35.937  239.220   38.375  281.414   32.724 -42.19389 50.43282 
1 1 1    8    1   35 o  233.893   23.741  115.427   21.659  120.099   30.827  110.873   30.437  238.826   33.077  228.961   34.065 9.864868 47.48151 
1 1 1    8    1   36 o  287.154   24.606  175.828   27.531  167.941   37.683  184.858   40.320  280.535   34.422  293.773   35.170 -13.23788 49.21179 
1 1 1    8    2    0 o  450.173   21.678  409.097   36.010  434.167   45.029  364.619   59.978  470.471   24.526  429.876   35.753 40.59470 43.35698 
1 1 1    8    2    1 o  505.616   22.385  518.511   41.983  560.168   53.124  449.217   68.516  534.271   25.480  476.961   36.811 57.30960 44.76924 
1 1 1    8    2    2 o  354.200   17.362  247.444   23.039  250.944   28.913  241.358   38.129  357.927   20.700  350.473   27.879 7.454742 34.72332 
1 1 1    8    2    3 o  1005.10   30.202  2034.78  116.470  2230.97  156.402  1790.54  174.508  1062.17   37.733  948.030   47.169 114.1385 60.40457 
1 1 1    8    2    4 o  452.065   50.324  395.484   54.215  387.043   57.389  465.526  165.311  442.936   33.202  461.194   95.014 -18.25845 100.6476 
1 1 1    8    2    5 o  923.245   32.692  1696.14  117.445  1781.76  174.252  1624.88  158.981  944.019   47.300  902.471   45.142 41.54791 65.38451 
1 1 1    8    2    6 o  331.388   45.295  245.676   38.745  204.549  105.983  252.021   41.626  305.333   85.533  357.443   29.842 -52.10999 90.58927 
1 1 1    8    2    7 o  114.900   30.703   19.539   18.856   21.527   26.705   17.564   26.629  117.253   43.642  112.547   43.198 4.706436 61.40564 
1 1 1    8    2    8 o  206.942   35.477   93.958   23.050   97.977   25.155   72.918   57.558  222.564   28.962  191.320   64.773 31.24396 70.95344 
1 1 1    8    2    9 o  189.578   24.584   70.887   18.188   70.887   18.188   0.0000   0.0000  189.578   24.584  ?   ?       ?      ? 
1 1 1    8    2   11 o  304.663   82.190  208.908   99.968  208.908   99.968   0.0000   0.0000  304.663   82.190  ?   ?       ?      ? 
1 1 1    8    2   12 o  238.255   43.374  116.199   43.561   55.327   59.234  187.898   64.286  177.711   65.204  298.800   57.216 -121.0888 86.74818 
1 1 1    8    2   13 o  213.306   36.328   96.422   24.705   99.222   27.173   83.077   59.326  224.099   31.072  202.513   65.677 21.58595 72.65662 
1 1 1    8    2   14 o  800.609   62.211  1130.39   86.542  1104.56   88.625  1660.76  401.590  748.374   30.346  852.845  120.665 -104.4715 124.4224 
1 1 1    8    2   15 o  985.909   79.738  1944.63  133.228  1921.36  136.660  2390.67  598.300  985.658   35.529  986.161  155.467 -0.5021973 159.4754 
1 1 1    8    2   16 o  839.233   27.915  1406.03   87.160  1430.66  108.629  1361.52  146.036  851.679   32.684  826.787   45.262 24.89154 55.82942 
1 1 1    8    2   17 o  811.395   31.738  1297.59   99.878  1426.81  151.883  1199.13  132.575  846.238   45.992  776.553   43.748 69.68481 63.47585 
1 1 1    8    2   18 o  638.863   39.513  809.117   98.510   0.0000   0.0000  809.117   98.510  ?   ?   638.863   39.513      ?      ? 
1 1 1    8    2   19 o  221.678   24.643   96.520   21.318   96.520   21.318   0.0000   0.0000  221.678   24.643  ?   ?       ?      ? 
1 1 1    8    2   20 o  617.144   28.044  749.961   67.538  749.961   67.538   0.0000   0.0000  617.144   28.044  ?   ?       ?      ? 
1 1 1    8    2   21 o  777.642   22.499  1181.12   67.718  1095.01   89.127  1298.72  104.155  744.832   30.663  810.451   32.932 -65.61890 44.99741 
1 1 1    8    2   22 o  847.121   23.762  1419.80   78.462  1403.17  108.104  1438.31  114.059  842.139   32.895  852.103   34.301 -9.964783 47.52490 
1 1 1    8    2   23 o  396.019   21.440  314.693   32.073  330.898   41.180  289.703   51.138  409.887   25.745  382.150   34.291 27.73718 42.87939 
1 1 1    8    2   24 o  257.319   20.075  131.847   19.997  147.362   27.875  115.395   28.704  273.285   26.138  241.352   30.476 31.93301 40.14909 
1 1 1    8    2   25 o  468.496   31.688  436.900   57.933   0.0000   0.0000  436.900   57.933  ?   ?   468.496   31.688      ?      ? 
1 1 1    8    2   26 o   86.469   21.832   10.782   8.7518   19.717   16.088   7.0265   10.430  101.929   34.246   71.008   27.087 30.92151 43.66367 
1 1 1    8    2   27 o  350.665   20.498  241.113   27.759  211.036   36.258  283.709   43.149  324.886   28.598  376.445   29.372 -51.55945 40.99519 
1 1 1    8    2   28 o  297.032   21.294  176.744   24.515  169.624   32.561  186.062   37.249  290.589   28.714  303.476   31.453 -12.88684 42.58819 
1 1 1    8    2   29 o  256.017   21.641  132.723   21.576  133.575   29.642  131.762   31.464  257.209   29.532  254.826   31.641 2.383438 43.28116 
1 1 1    8    2   30 o  255.330   22.277  132.223   22.035  111.939   30.336  154.876   32.059  234.078   33.210  276.582   29.702 -42.50363 44.55492 
1 1 1    8    2   31 o  286.216   44.453  230.392   63.961  371.897   80.403 -13.4827  105.553  412.552   49.942  159.880   73.554 252.6730 88.90685 
1 1 1    8    2   32 o  351.883   50.993  349.676   71.229  492.700   95.307  168.719  107.204  467.141   52.281  236.626   87.565 230.5148 101.9853 
1 1 1    8    2   33 o  390.347   22.150  316.622   33.642  287.521   47.158  346.782   48.008  371.119   32.562  409.574   30.036 -38.45474 44.29950 
1 1 1    8    2   34 o  225.146   24.696  103.999   21.244  124.054   34.606   91.872   26.911  241.060   36.787  209.231   32.959 31.82875 49.39178 
1 1 1    8    2   35 o  141.026   27.925   43.883   15.627   47.949   25.472   41.428   19.789  145.269   42.338  136.784   36.424 8.484756 55.84995 
1 1 1    8    2   36 o  449.112   32.515  426.699   56.986  426.699   56.986   0.0000   0.0000  449.112   32.515  ?   ?       ?      ? 
1 1 1    8    3    0 o  779.485   31.033  1191.03   93.682  1339.67  143.712  1081.20  123.538  820.908   44.861  738.063   42.892 82.84491 62.06604 
1 1 1    8    3    1 o  188.370   21.283   71.885   13.990   73.390   16.887   68.592   24.982  193.484   22.365  183.256   36.218 10.22844 42.56648 
1 1 1    8    3    2 o  676.364   26.961  903.466   71.088  868.642   97.840  942.408  103.464  662.655   37.835  690.072   38.420 -27.41699 53.92246 
1 1 1    8    3    3 o  646.682   26.357  827.439   66.513  822.475   93.762  832.468   94.367  644.731   37.266  648.632   37.281 -3.901367 52.71309 
1 1 1    8    3    4 o  552.311   24.825  602.674   53.483  624.621   76.890  582.103   74.442  562.055   35.056  542.567   35.159 19.48785 49.64915 
1 1 1    8    3    5 o  746.802   60.573  1080.90  107.742  1054.48  113.538  1320.03  341.576  728.281   39.949  765.324  114.369 -37.04242 121.1459 
1 1 1    8    3    6 o  738.336   61.116  1016.06  103.019  981.372  107.798  1381.44  349.870  701.944   39.353  774.728  115.725 -72.78387 122.2326 
1 1 1    8    3    7 o  480.410  104.698  539.724  190.738   0.0000   0.0000  539.724  190.738  ?   ?   480.410  104.698      ?      ? 
1 1 1    8    3    8 o  374.929   56.785  289.498   83.084  289.498   83.084   0.0000   0.0000  374.929   56.785  ?   ?       ?      ? 
1 1 1    8    3    9 o  544.075   67.509  725.979  130.191  878.705  167.894  495.643  206.185  645.373   66.664  442.777  117.413 202.5955 135.0185 
1 1 1    8    3   10 o  250.712   55.502  133.940   52.868  133.940   52.868   0.0000   0.0000  250.712   55.502  ?   ?       ?      ? 
1 1 1    8    3   11 o  512.240   32.736  520.924   65.439  520.924   65.439   0.0000   0.0000  512.240   32.736  ?   ?       ?      ? 
1 1 1    8    3   12 o  150.011   30.825   42.074   14.795   41.219   15.922   47.483   40.036  141.878   29.710  158.144   54.020 -16.26636 61.65073 
1 1 1    8    3   13 o  452.317   47.247  473.787   44.348  485.051   46.689  369.859  141.821  496.784   24.083  407.850   91.373 88.93369 94.49366 
1 1 1    8    3   14 o  254.679   36.211  167.921   22.075  178.139   23.401   85.361   66.518  301.474   19.891  207.884   69.637 93.59013 72.42169 
1 1 1    8    3   15 o  910.072   85.377  1953.41  185.613  1990.25  199.577  1717.45  505.093  996.159   51.339  823.986  162.853 172.1725 170.7535 
1 1 1    8    3   16 o  890.983   69.967  1365.95  136.243  1301.98  141.524  2175.39  503.444  808.716   44.844  973.250  132.555 -164.5332 139.9347 
1 1 1    8    3   17 o  1208.54  111.700  3337.60  212.182  3320.03  217.963  3655.71  927.390  1292.41   43.217  1124.67  219.180 167.7401 223.4000 
1 1 1    8    3   18 o  443.044   47.273  373.611   40.880  368.153   42.368  447.232  155.613  432.965   25.075  453.123   91.161 -20.15747 94.54657 
1 1 1    8    3   19 o  347.097   24.143  236.593   32.702  236.593   32.702   0.0000   0.0000  347.097   24.143  ?   ?       ?      ? 
1 1 1    8    3   20 o  545.268   26.923  585.086   57.288  585.086   57.288   0.0000   0.0000  545.268   26.923  ?   ?       ?      ? 
1 1 1    8    3   21 o  764.191   26.534  1182.80   76.642  1271.46   99.275  1052.00  120.580  802.237   31.711  726.144   42.552 76.09344 53.06834 
1 1 1    8    3   22 o  415.607   21.563  353.561   33.616  406.292   44.230  281.440   51.726  454.470   24.939  376.744   35.183 77.72577 43.12544 
1 1 1    8    3   23 o  514.016   22.629  529.282   43.741  547.763   55.520  499.042   71.020  527.068   26.993  500.965   36.328 26.10312 45.25880 
1 1 1    8    3   24 o  315.211   24.953  203.136   29.842  165.815   44.877  232.721   39.957  287.647   39.979  342.775   29.871 -55.12827 49.90605 
1 1 1    8    3   25 o  179.257   27.861   69.297   18.639   53.762   31.240   77.884   23.226  160.571   46.913  197.942   30.068 -37.37080 55.72182 
1 1 1    8    3   26 o  740.815   35.094  1104.35  101.456   0.0000   0.0000  1104.35  101.456  ?   ?   740.815   35.094      ?      ? 
1 1 1    8    3   27 o  473.619   21.136  450.499   38.540  454.271   50.694  445.332   59.325  477.058   27.230  470.180   32.333 6.877991 42.27179 
1 1 1    8    3   28 o  262.677   93.217  182.568  119.843   0.0000   0.0000  182.568  119.843  ?   ?   262.677   93.217      ?      ? 
1 1 1    8    3   29 o  311.201   21.021  196.676   25.275  203.943   33.877  187.553   37.958  318.572   27.250  303.831   32.014 14.74078 42.04102 
1 1 1    8    3   30 f  242.830   32.400  128.521   27.223  124.084   50.102  130.380   32.427  232.995   55.833  252.666   32.888 -19.67094 64.79926 
1 1 1    8    3   31 o  204.261   40.463  104.875   28.598  111.404   30.366   53.648   85.059  232.654   33.446  175.868   73.690 56.78566 80.92542 
1 1 1    8    3   32 o  220.452   49.666  136.109   52.150  165.182   62.601   70.171   94.275  258.568   62.690  182.336   77.050 76.23209 99.33125 
1 1 1    8    3   33 o  247.834   38.568  196.916   36.231  231.509   40.034   40.334   85.174  334.120   30.704  161.548   70.762 172.5729 77.13615 
1 1 1    8    3   34 o  204.233   25.103   86.063   19.243  110.191   31.085   71.073   24.502  228.151   34.913  180.315   36.080 47.83594 50.20694 
1 1 1    8    3   35 o  227.051   26.924  113.574   22.955  101.611   34.025  123.567   31.098  211.867   42.630  242.234   32.898 -30.36685 53.84758 
1 1 1    8    4    0 o  289.794   18.183  164.367   20.494  184.521   29.913  146.538   28.134  306.526   25.007  273.061   26.402 33.46490 36.36506 
1 1 1    8    4    1 o  498.832   53.698  569.679   66.621  454.803  175.350  589.058   72.022  451.464  101.941  546.200   33.789 -94.73581 107.3954 
1 1 1    8    4    2 o  272.611   22.324  147.309   23.593  154.732   32.114  138.604   34.775  280.307   29.358  264.915   33.638 15.39127 44.64766 
1 1 1    8    4    3 o  535.557   33.776  566.862   70.589  566.862   70.589   0.0000   0.0000  535.557   33.776  ?   ?       ?      ? 
1 1 1    8    4    4 o  411.449   31.896  334.389   51.213  334.389   51.213   0.0000   0.0000  411.449   31.896  ?   ?       ?      ? 
1 1 1    8    4    5 o  168.951   35.509   53.540   21.031   51.072   23.274   64.524   49.100  157.176   38.297  180.727   59.806 -23.55040 71.01735 
1 1 1    8    4    6 o  739.653  104.507  1427.20  290.781  1276.45  397.961  1599.88  425.913  691.593  151.633  787.713  143.856 -96.11945 209.0145 
1 1 1    8    4    7 o  265.226   76.280  155.042   83.177   0.0000   0.0000  155.042   83.177  ?   ?   265.226   76.280      ?      ? 
1 1 1    8    4    8 o  574.869   71.908  705.055  161.317  705.055  161.317   0.0000   0.0000  574.869   71.908  ?   ?       ?      ? 
1 1 1    8    4    9 o  427.329   58.115  438.173   89.491  525.211  113.500  295.145  145.496  503.692   57.743  350.966  100.871 152.7262 116.2294 
1 1 1    8    4   10 f  422.979   55.143  400.820   83.719  425.083  104.142  356.498  140.758  453.430   58.855  392.528   93.268 60.90210 110.2856 
1 1 1    8    4   11 o  506.842   64.582  602.853  116.323  685.683  146.565  461.875  191.210  574.505   65.374  439.180  111.398 135.3253 129.1633 
1 1 1    8    4   12 o  587.998   70.016  784.415  146.075  818.689  180.806  719.995  247.877  625.231   74.104  550.765  118.818 74.46619 140.0325 
1 1 1    8    4   13 o  351.321   86.772  271.977  118.261   0.0000   0.0000  271.977  118.261  ?   ?   351.321   86.772      ?      ? 
1 1 1    8    4   14 o  281.965   77.645  170.862   88.148   0.0000   0.0000  170.862   88.148  ?   ?   281.965   77.645      ?      ? 
1 1 1    8    4   15 o  298.823   40.728  214.850   27.990  223.398   29.603  142.728   85.984  337.490   22.477  260.155   78.293 77.33481 81.45598 
1 1 1    8    4   16 o  452.208   48.005  398.142   42.619  393.832   44.230  454.100  159.372  447.836   25.308  456.580   92.614 -8.743195 96.00933 
1 1 1    8    4   17 o  524.205   55.815  633.507   56.895  644.875   59.435  508.950  196.733  572.857   26.587  475.552  108.418 97.30569 111.6305 
1 1 1    8    4   18 o  984.299   35.597  1915.71  136.732  1915.71  136.732   0.0000   0.0000  984.299   35.597  ?   ?       ?      ? 
1 1 1    8    4   19 o  878.268   33.194  1523.81  113.768  1523.81  113.768   0.0000   0.0000  878.268   33.194  ?   ?       ?      ? 
1 1 1    8    4   20 o  480.003   39.305  304.379   37.234  283.981   38.183  699.803  168.115  379.993   25.749  580.014   74.274 -200.0204 78.61041 
1 1 1    8    4   21 o  721.513   30.049  1027.29   84.608  1027.29   84.608   0.0000   0.0000  721.513   30.049  ?   ?       ?      ? 
1 1 1    8    4   22 o  165.671   38.995   43.324   18.445   41.882   19.160   61.563   68.135  142.568   34.754  188.773   69.818 -46.20572 77.99001 
1 1 1    8    4   23 o  697.414   54.189  739.932   65.748  710.124   67.142  1435.44  324.330  599.597   28.695  795.232  104.511 -195.6349 108.3785 
1 1 1    8    4   24 o  590.512  132.597  909.557  298.078   0.0000   0.0000  909.557  298.078  ?   ?   590.512  132.597      ?      ? 
1 1 1    8    4   25 f  298.648   50.314  116.409   26.212  108.873   26.693  319.904  138.702  234.062   29.223  363.233   96.291 -129.1710 100.6282 
1 1 1    8    4   27 o  265.037   21.817  138.688   22.356  120.931   29.361  163.185   34.487  245.263   30.677  284.811   31.029 -39.54803 43.63323 
1 1 1    8    4   28 o  117.337   24.555   29.073   12.840   13.812   20.018   39.743   16.738   97.135   37.410  137.539   31.817 -40.40359 49.11043 
1 1 1    8    4   29 o  234.824   26.503  113.874   22.806  119.830   37.978  110.515   28.521  236.271   42.764  233.377   31.317 2.894196 53.00511 
1 1 1    8    4   30 o  242.374   22.463  119.774   21.006   97.926   29.110  143.510   30.341  218.495   34.141  266.253   29.202 -47.75854 44.92605 
1 1 1    8    4   31 o  138.821   36.434   39.899   22.708   47.411   23.801 -36.3602   75.830  147.416   40.244  130.227   60.747 17.18974 72.86794 
1 1 1    8    4   32 o  261.032   45.124  195.695   48.840  236.329   57.860   94.987   91.088  328.404   45.148  193.660   78.142 134.7438 90.24732 
1 1 1    8    4   33 o  110.799   26.163   26.091   14.530   1.3530   26.510   36.714   17.372   91.759   39.847  129.839   33.915 -38.07956 52.32566 
1 1 1    8    4   34 o  264.649   23.031  142.887   23.263  191.675   35.896  107.562   30.545  303.827   30.276  225.471   34.715 78.35628 46.06223 
1 1 1    8    4   35 o  573.691   32.082  691.188   71.824  691.188   71.824   0.0000   0.0000  573.691   32.082  ?   ?       ?      ? 
1 1 1    8    5    0 o  550.893   24.015  599.307   51.585  626.321   74.765  574.763   71.264  562.703   34.048  539.083   33.875 23.62091 48.02901 
1 1 1    8    5    1 o  508.469   23.959  511.286   47.533  499.571   66.658  523.406   67.800  502.523   33.991  514.416   33.774 -11.89291 47.91749 
1 1 1    8    5    2 o  563.155   80.257  733.947  170.278  720.143  239.796  747.987  241.837  557.191  114.121  569.120  112.876 -11.92865 160.5138 
1 1 1    8    5    3 o  450.556   49.506  414.607   54.966  410.552   58.672  443.695  157.140  455.459   33.010  445.654   93.347 9.804932 99.01139 
1 1 1    8    5    4 o  163.325   32.970   54.021   18.640   55.029   20.516   49.251   44.609  163.797   33.233  162.853   56.952 0.9441528 65.93935 
1 1 1    8    5    6 o  636.120  132.160  1037.33  317.356  1037.33  317.356   0.0000   0.0000  636.120  132.160  ?   ?       ?      ? 
1 1 1    8    5    7 o  501.157   62.599  524.693  122.426  524.693  122.426   0.0000   0.0000  501.157   62.599  ?   ?       ?      ? 
1 1 1    8    5    8 o  482.052   61.905  485.271  116.454  485.271  116.454   0.0000   0.0000  482.052   61.905  ?   ?       ?      ? 
1 1 1    8    5    9 o  704.957   79.456  1077.36  218.585  1077.36  218.585   0.0000   0.0000  704.957   79.456  ?   ?       ?      ? 
1 1 1    8    5   10 o  433.291   57.521  442.302   89.431  530.863  113.868  299.730  144.477  508.499   57.382  358.083   99.708 150.4161 115.0413 
1 1 1    8    5   11 o  446.109   58.384  461.336   93.130  542.547  118.112  327.865  151.420  515.102   58.758  377.117  100.908 137.9843 116.7688 
1 1 1    8    5   12 o  375.306   53.170  296.168   72.303  290.003   88.371  308.652  125.750  377.092   60.053  373.520   87.759 3.571808 106.3392 
1 1 1    8    5   13 o  136.659   33.639   33.501   21.402   33.127   26.771   34.164   35.626  132.306   44.178  141.013   50.741 -8.706909 67.27818 
1 1 1    8    5   14 o  334.538   59.939  243.629   78.951  202.580  111.154  285.425  112.160  305.446   88.276  363.629   81.104 -58.18307 119.8771 
1 1 1    8    5   15 o  454.810   50.635  524.529   63.489  587.541   71.589  292.416  137.400  545.628   33.622  363.993   95.526 181.6351 101.2704 
1 1 1    8    5   16 o  960.888   79.041  1928.90  133.399  1917.69  137.311  2117.26  562.879  985.120   35.718  936.655  153.994 48.46521 158.0820 
1 1 1    8    5   17 o  493.098   25.945  477.691   49.925  477.691   49.925   0.0000   0.0000  493.098   25.945  ?   ?       ?      ? 
1 1 1    8    5   18 o  685.259   29.183  924.714   78.041  924.714   78.041   0.0000   0.0000  685.259   29.183  ?   ?       ?      ? 
1 1 1    8    5   19 o  456.670   52.693  509.314   49.192  525.562   51.725  355.540  159.123  517.032   25.636  396.309  102.219 120.7234 105.3852 
1 1 1    8    5   20 o  316.451   44.357  218.509   31.127  220.954   32.626  193.716  103.876  335.242   24.939  297.661   85.135 37.58112 88.71304 
1 1 1    8    5   21 o  616.209   62.224  838.219   70.831  841.640   73.510  793.843  264.783  653.307   28.834  579.112  121.061 74.19519 124.4477 
1 1 1    8    5   22 o  926.400   74.572  1586.60  113.696  1551.91  116.217  2360.11  548.783  884.943   33.653  967.856  145.298 -82.91327 149.1439 
1 1 1    8    5   23 o  880.288  204.713  2529.04  689.944   0.0000   0.0000  2529.04  689.944  ?   ?   880.288  204.713      ?      ? 
1 1 1    8    5   24 o  412.422   53.258  308.039   58.802  283.881   62.871  476.780  166.162  374.980   42.964  449.864   97.466 -74.88364 106.5157 
1 1 1    8    5   25 o  269.123   44.182   77.925   23.233   67.912   23.764  294.693  110.569  181.209   34.871  357.038   81.192 -175.8292 88.36384 
1 1 1    8    5   26 o  699.983   59.267  665.893   62.330  631.660   63.205  1876.03  375.796  562.470   28.795  837.496  114.984 -275.0265 118.5348 
1 1 1    8    5   27 o  367.655   58.457  221.321   54.979  189.702   57.792  522.595  178.390  299.714   49.412  435.596  105.958 -135.8825 116.9131 
1 1 1    8    5   28 o  269.971  104.046  209.770  154.923   0.0000   0.0000  209.770  154.923  ?   ?   269.971  104.046      ?      ? 
1 1 1    8    5   29 o  392.778   63.906  351.035   62.207  335.248   65.386  501.674  201.976  400.289   41.858  385.267  120.763 15.02097 127.8121 
1 1 1    8    5   30 f  312.324   59.963  235.089   53.155  228.327   55.750  302.680  176.253  328.325   43.512  296.323  111.753 32.00244 119.9253 
1 1 1    8    5   31 o  134.730   42.000   39.108   24.468   39.108   24.468   0.0000   0.0000  134.730   42.000  ?   ?       ?      ? 
1 1 1    8    5   32 f  337.249   30.285  234.613   39.857  234.613   39.857   0.0000   0.0000  337.249   30.285  ?   ?       ?      ? 
1 1 1    8    5   33 o  215.930   45.710  117.612   31.912  118.533   33.209  106.508  115.308  236.210   36.026  195.649   84.022 40.56165 91.41951 
1 1 1    8    5   34 o  276.910   45.389  263.571   41.841  281.510   43.765   72.882  142.687  367.974   30.477  185.847   85.508 182.1266 90.77705 
1 1 1    8    5   35 o  381.124   58.623  512.693   58.492  522.105   60.936  402.380  208.616  499.181   31.281  263.068  112.996 236.1123 117.2460 
1 1 1    8    6    0 o  145.452   31.011   42.515   16.780   43.973   18.747   36.642   37.625  146.088   33.587  144.816   52.141 1.271835 62.02241 
1 1 1    8    6    1 o  917.758   90.993  2065.82  184.701  2085.48  196.404  1915.41  543.179  1015.74   49.549  819.780  175.110 195.9562 181.9851 
1 1 1    8    6    2 o  186.033   36.445   62.775   21.859   58.083   23.858   87.312   54.557  167.596   37.425  204.469   62.548 -36.87315 72.88926 
1 1 1    8    6    3 o  365.017   63.459  302.907   89.781  291.854  126.324  314.188  127.625  357.829   90.426  372.205   89.058 -14.37561 126.9183 
1 1 1    8    6    4 f  625.498   91.534  990.417  216.068  973.787  304.234  1007.34  306.917  619.386  130.011  631.611  128.884 -12.22491 183.0679 
1 1 1    8    6    5 o  735.842  158.327  1534.66  441.165   0.0000   0.0000  1534.66  441.165  ?   ?   735.842  158.327      ?      ? 
1 1 1    8    6    6 o  326.817   46.449  207.601   53.908  164.997   64.243  308.993   99.107  276.766   61.115  376.868   69.964 -100.1022 92.89751 
1 1 1    8    6    7 o  262.278   46.053  152.061   45.544  159.484   56.125  137.748   77.936  274.392   54.337  250.163   74.371 24.22897 92.10616 
1 1 1    8    6    8 o  760.021   84.013  1266.73  249.174  1266.73  249.174   0.0000   0.0000  760.021   84.013  ?   ?       ?      ? 
1 1 1    8    6    9 o  316.207   48.802  224.661   57.211  250.403   70.868  176.496   96.940  350.768   51.772  281.645   82.741 69.12332 97.60347 
1 1 1    8    6   10 o  372.639   51.281  325.302   69.663  411.650   89.433  192.071  111.090  451.109   50.802  294.169   89.097 156.9395 102.5626 
1 1 1    8    6   11 o  153.263   34.103   48.248   23.206   59.267   28.495   26.548   39.987  169.084   43.067  137.442   52.891 31.64255 68.20669 
1 1 1    8    6   12 o  931.422  104.371  2152.50  342.168  2233.69  424.142  2001.20  579.044  1002.99  108.363  859.847  178.413 143.1479 208.7430 
1 1 1    8    6   13 o  320.455   50.048  220.900   59.508  234.864   73.555  194.445  101.245  341.310   55.224  299.600   83.484 41.70929 100.0963 
1 1 1    8    6   14 o  231.962   55.306  112.435   49.357  112.435   49.357   0.0000   0.0000  231.962   55.306  ?   ?       ?      ? 
1 1 1    8    6   15 o  155.477   60.064   33.313   51.726   33.313   51.726   0.0000   0.0000  155.477   60.064  ?   ?       ?      ? 
1 1 1    8    6   16 o  1089.88   54.493  2386.96  231.767  2386.96  231.767   0.0000   0.0000  1089.88   54.493  ?   ?       ?      ? 
1 1 1    8    6   17 o  204.561   31.175  113.055   18.880  126.468   20.457   36.001   49.033  254.021   20.637  155.100   58.835 98.92178 62.34907 
1 1 1    8    6   18 o  592.857   61.541  894.543   73.050  929.815   77.043  580.448  229.905  687.146   28.731  498.569  119.683 188.5766 123.0829 
1 1 1    8    6   19 o  677.023   64.997  999.483   80.720  1001.49   83.699  972.704  305.300  712.611   30.098  641.435  126.462 71.17548 129.9941 
1 1 1    8    6   20 o  136.229   30.786   39.503   15.998   44.877   17.014  -1.5165   47.009  148.159   30.445  124.299   53.519 23.86018 61.57224 
1 1 1    8    6   21 o  221.968   38.196  107.612   22.831  110.441   24.119   83.212   70.821  236.856   26.094  207.079   71.797 29.77748 76.39137 
1 1 1    8    6   22 o  356.078   50.082  292.544   55.329  309.925   62.372  228.361  119.856  393.902   40.576  318.254   91.577 75.64761 100.1637 
1 1 1    8    6   23 o  802.680  179.416  1949.15  547.872   0.0000   0.0000  1949.15  547.872  ?   ?   802.680  179.416      ?      ? 
1 1 1    8    6   24 o  680.406   68.189  963.550   79.219  949.731   81.529  1197.17  335.205  691.305   30.221  669.507  132.988 21.79858 136.3781 
1 1 1    8    6   25 o  553.807   60.308  615.477   58.805  603.152   60.548  820.357  246.856  550.633   28.178  556.981  117.279 -6.347900 120.6165 
1 1 1    8    6   26 o  295.495  103.432  233.032  147.150   0.0000   0.0000  233.032  147.150  ?   ?   295.495  103.432      ?      ? 
1 1 1    8    6   27 o  208.698   88.960   70.045  127.535   0.0000   0.0000   70.045  127.535  ?   ?   208.698   88.960      ?      ? 
1 1 1    8    6   28 f  415.414  136.635  654.186  256.420   0.0000   0.0000  654.186  256.420  ?   ?   415.414  136.635      ?      ? 
1 1 1    8    6   29 o  412.638   64.764  318.933   65.079  282.936   68.160  690.258  218.915  363.520   48.047  461.756  120.286 -98.23605 129.5273 
1 1 1    8    6   30 o  255.751   51.998  160.178   32.427  161.084   33.078  137.866  164.157  281.402   30.122  230.101   99.538 51.30171 103.9962 
1 1 1    8    6   31 o  142.891   41.779   44.871   24.768   44.871   24.768   0.0000   0.0000  142.891   41.779  ?   ?       ?      ? 
1 1 1    8    6   32 o  121.722   41.126  -8.7402   22.827 -11.3046   23.463   36.671   98.734   77.045   35.157  166.398   74.359 -89.35313 82.25135 
1 1 1    8    6   33 o  230.917   51.172  157.574   49.964  165.639   54.767  117.543  122.011  262.044   55.295  199.791   86.121 62.25259 102.3443 
1 1 1    8    6   34 f  180.791   50.584   49.630   31.481   39.058   32.757  177.420  113.887  134.702   48.631  226.881   88.713 -92.17920 101.1677 
1 1 1    8    6   35 o  257.014   54.540  207.748   55.533  209.279   60.089  198.788  145.386  293.526   54.464  220.502   94.511 73.02431 109.0807 
1 1 1    8    7    0 o   42.203   15.181  -0.5910   1.4653  -9.3741   15.709  -0.5139   1.4717   63.657   28.939   20.749   9.1865 42.90728 30.36215 
1 1 1    8    7    1 o  471.152   52.275  435.685   62.544  420.624   66.808  542.510  177.924  458.828   37.312  483.477   97.665 -24.64890 104.5499 
1 1 1    8    7    2 o  531.187  114.171  689.989  229.622   0.0000   0.0000  689.989  229.622  ?   ?   531.187  114.171      ?      ? 
1 1 1    8    7    3 o  227.063   49.208  110.737   47.857  100.190   67.254  121.555   68.113  217.609   69.861  236.517   69.320 -18.90791 98.41636 
1 1 1    8    7    4 o  508.214   78.180  628.940  150.673  583.766  209.747  677.106  216.584  486.777  112.648  529.651  108.437 -42.87427 156.3591 
1 1 1    8    7    5 o  617.328  131.151  992.520  306.202   0.0000   0.0000  992.520  306.202  ?   ?   617.328  131.151      ?      ? 
1 1 1    8    7    6 o  457.072   50.032  408.227   83.505  347.997   99.218  554.505  154.623  408.289   62.272  505.857   78.327 -97.56802 100.0648 
1 1 1    8    7    7 o  337.684   48.766  240.161   59.802  231.352   72.955  258.203  104.408  335.579   55.709  339.789   80.055 -4.210266 97.53140 
1 1 1    8    7    8 o  482.030   60.450  538.419  103.968  615.729  132.044  412.302  168.651  545.575   62.020  418.485  103.779 127.0892 120.8993 
1 1 1    8    7    9 f  243.492   51.375  126.546   52.514  119.492   72.776  134.208   75.850  237.118   72.180  249.865   73.128 -12.74661 102.7504 
1 1 1    8    7   10 o  640.617   72.155  962.378  164.449  1166.45  216.505  684.074  252.832  747.198   74.251  534.037  123.742 213.1605 144.3092 
1 1 1    8    7   11 o  536.374   69.012  593.049  144.452  593.049  144.452   0.0000   0.0000  536.374   69.012  ?   ?       ?      ? 
1 1 1    8    7   12 o  677.441   76.431  1041.50  183.220  1096.23  227.436  940.314  309.247  724.114   80.486  630.767  129.957 93.34723 152.8624 
1 1 1    8    7   13 o  505.833   61.472  550.915  111.007  563.000  136.796  527.612  189.957  525.134   66.753  486.533  103.244 38.60159 122.9446 
1 1 1    8    7   14 o  337.769   58.513  245.379   76.874  288.562  111.535  206.302  106.100  366.619   80.191  308.919   85.233 57.69946 117.0270 
1 1 1    8    7   15 o  485.036   64.457  490.333  117.930  682.805  181.825  350.574  154.939  572.913   81.327  397.158  100.025 175.7550 128.9149 
1 1 1    8    7   16 o  237.897   50.249  116.573   50.155  135.900   75.072  100.992   67.405  253.615   72.320  222.178   69.784 31.43756 100.4986 
1 1 1    8    7   17 o  ?   ?  -15.1682   3.7924   0.0000   0.0000 -15.1682   3.7924  ?   ?   ?   ?       ?      ? 
1 1 1    8    7   18 o  766.287   69.046  1217.76   94.035  1209.51   97.074  1343.45  378.782  782.759   31.779  749.816  134.387 32.94293 138.0930 
1 1 1    8    7   19 o  246.751   38.161  149.191   25.380  158.317   27.135   85.415   71.734  283.811   24.500  209.690   72.283 74.12100 76.32238 
1 1 1    8    7   20 o  477.524   48.553  417.308   47.716  406.211   49.593  555.664  175.111  454.013   27.991  501.035   92.983 -47.02161 97.10522 
1 1 1    8    7   21 o  420.627   52.686  416.519   69.057  453.559   79.545  303.189  139.140  476.216   42.803  365.038   96.288 111.1785 105.3729 
1 1 1    8    7   22 f  269.643   49.608  159.802   50.242  165.926   60.137  145.648   91.422  280.236   56.932  259.051   81.256 21.18524 99.21564 
1 1 1    8    7   23 o  614.327   29.161  747.737   69.908  747.737   69.908   0.0000   0.0000  614.327   29.161  ?   ?       ?      ? 
1 1 1    8    7   24 o  589.789   58.835  674.378   62.845  658.778   64.782  923.619  258.943  575.823   28.829  603.756  114.084 -27.93323 117.6701 
1 1 1    8    7   25 o  496.411  128.465  713.881  250.776   0.0000   0.0000  713.881  250.776  ?   ?   496.411  128.465      ?      ? 
1 1 1    8    7   26 o  266.407   49.120  172.614   30.172  175.314   30.994  123.745  131.874  296.344   26.801  236.471   94.513 59.87311 98.23911 
1 1 1    8    7   27 o  182.395   49.271   42.180   19.314   40.402   19.545  116.077  126.017  138.078   35.928  226.713   91.760 -88.63559 98.54276 
1 1 1    8    7   28 o  242.775   60.320  117.240   51.359  102.988   54.641  225.306  150.461  210.344   62.212  275.206  103.362 -64.86188 120.6399 
1 1 1    8    7   29 o  241.394   60.814  131.951   54.677  125.057   57.913  188.521  165.894  229.866   62.786  252.923  104.170 -23.05656 121.6278 
1 1 1    8    7   31 o   54.543   26.313 -24.4770   16.785 -24.4770   16.785   0.0000   0.0000   54.543   26.313  ?   ?       ?      ? 
1 1 1    8    7   32 o  399.667   59.013  558.959   58.996  575.614   61.598  374.182  205.174  527.665   29.914  271.668  114.172 255.9962 118.0255 
1 1 1    8    7   33 o  149.731   47.380   20.775   46.048   12.656   51.216   55.020  105.191  126.577   55.172  172.885   77.041 -46.30857 94.75932 
1 1 1    8    7   34 o  266.779   47.713  226.494   41.734  235.854   43.600  124.108  144.196  334.340   33.417  199.217   89.383 135.1227 95.42561 
1 1 1    8    7   35 o  129.663   42.885   7.8264   31.781   8.4097   33.046   0.6464  115.939  104.837   45.000  154.489   73.016 -49.65167 85.76924 
1 1 1    8    8    0 o  137.327   35.489   32.234   24.804   29.396   35.089   35.068   35.068  134.326   50.020  140.329   50.358 -6.002441 70.97827 
1 1 1    8    8    1 o  283.837   56.065  181.084   64.532  172.482   90.844  189.846   91.686  277.136   79.721  290.538   78.851 -13.40213 112.1292 
1 1 1    8    8    2 o  287.708   56.492  186.404   65.720  178.818   92.573  194.111   93.314  281.859   80.286  293.557   79.497 -11.69797 112.9849 
1 1 1    8    8    3 o  818.888  138.419  2248.44  436.368  2280.34  619.981  2217.11  614.294  825.906  195.411  811.869  196.096 14.03668 276.8376 
1 1 1    8    8    4 o  170.690   41.401   56.683   33.271   57.764   47.049   55.601   47.055  171.752   58.560  169.628   58.539 2.124161 82.80190 
1 1 1    8    8    5 o  450.500   70.481  473.378  120.950  397.113  166.269  559.089  176.267  407.623  104.144  493.377   94.997 -85.75345 140.9623 
1 1 1    8    8    6 o  641.705  131.837  1043.47  319.101   0.0000   0.0000  1043.47  319.101  ?   ?   641.705  131.837      ?      ? 
1 1 1    8    8    7 o  441.412   64.294  427.034  109.037  324.290  146.660  554.015  163.043  374.657   98.870  508.166   82.217 -133.5093 128.5883 
1 1 1    8    8    8 f  410.527   66.603  379.428  104.518  347.070  145.324  414.101  150.430  391.053   95.950  430.001   92.399 -38.94754 133.2064 
1 1 1    8    8    9 o  655.490   74.363  970.590  173.063  930.521  295.565  991.495  213.487  625.045  125.533  685.935   79.755 -60.88971 148.7260 
1 1 1    8    8   10 o  210.175   43.594   88.704   36.899  105.642   61.848   79.343   45.978  224.612   66.118  195.738   56.834 28.87367 87.18826 
1 1 1    8    8   11 o  601.443   79.408  809.071  182.113  921.424  265.938  709.860  249.902  648.967  105.009  553.919  119.146 95.04816 158.8159 
1 1 1    8    8   12 o  466.579   56.891  448.632   94.953  427.781  115.228  492.745  167.604  458.427   64.410  474.730   93.797 -16.30255 113.7828 
1 1 1    8    8   13 o  484.460   60.385  500.714  104.555  505.753  128.372  490.787  180.200  498.298   66.016  470.623  101.131 27.67487 120.7708 
1 1 1    8    8   14 o  920.363   95.324  1968.34  311.396  1997.87  384.528  1912.08  530.772  962.780  102.345  877.946  160.848 84.83325 190.6480 
1 1 1    8    8   15 o  251.540   53.401  132.917   56.570  128.608   83.297  136.607   77.069  248.678   77.489  254.401   73.501 -5.722244 106.8030 
1 1 1    8    8   16 o  579.287   67.107  737.523  139.027  766.706  173.035  684.371  233.519  609.785   72.715  548.790  112.810 60.99567 134.2143 
1 1 1    8    8   17 o  744.836   95.849  1313.29  272.428  1447.25  397.717  1194.88  373.925  789.628  129.068  700.045  141.738 89.58386 191.6982 
1 1 1    8    8   18 f  1011.37  149.321  3039.93  568.925  3534.64  852.523  2642.71  763.913  1095.24  207.050  927.500  215.214 167.7401 298.6413 
1 1 1    8    8   19 o  309.776   45.280  206.087   54.435  298.685   77.218  114.610   76.750  384.930   51.405  234.621   74.557 150.3085 90.56093 
1 1 1    8    8   20 o  560.863  115.441  737.347  244.245   0.0000   0.0000  737.347  244.245  ?   ?   560.863  115.441      ?      ? 
1 1 1    8    8   21 o  516.115   52.551  517.696   55.384  508.341   57.654  629.547  199.352  507.317   29.122  524.912  100.986 -17.59561 105.1014 
1 1 1    8    8   22 o  546.283   58.306  635.540   62.355  632.547   64.892  671.578  225.167  565.310   29.415  527.257  112.842 38.05371 116.6127 
1 1 1    8    8   23 o  296.902   90.393  205.799  114.129   0.0000   0.0000  205.799  114.129  ?   ?   296.902   90.393      ?      ? 
1 1 1    8    8   24 o  610.307   68.385  828.397   94.716  812.333  100.136  964.867  291.862  632.775   40.552  587.839  130.621 44.93628 136.7708 
1 1 1    8    8   25 o  325.910   55.159  274.379   62.812  296.815   70.702  190.357  136.820  377.526   47.990  274.294   99.332 103.2327 110.3170 
1 1 1    8    8   26 o  220.215   46.426   97.487   24.936   97.146   25.557  104.267  113.860  219.779   29.798  220.652   87.941 -0.8730774 92.85233 
1 1 1    8    8   27 o  203.441   46.888   73.812   22.165   72.797   22.559  102.067  119.020  189.756   30.465  217.125   88.690 -27.36855 93.77618 
1 1 1    8    8   28 o  201.274   51.186   59.424   21.966   57.046   22.255  148.914  136.535  163.808   35.814  238.740   95.903 -74.93216 102.3716 
1 1 1    8    8   31 o  315.936   52.786  347.069   47.185  357.187   48.324  140.151  218.543  416.553   29.728  215.319  101.300 201.2343 105.5721 
1 1 1    8    8   32 o  271.010   55.480  206.108   40.824  204.592   41.585  246.369  214.311  311.615   34.197  230.406  105.559 81.20868 110.9604 
1 1 1    8    8   33 o  262.571   59.099  238.507   69.906  246.271   74.157  176.546  209.488  311.916   63.091  213.226   99.951 98.68988 118.1972 
1 1 1    8    8   34 o  224.806   46.568  149.154   38.868  155.319   40.308   67.466  146.728  267.618   38.596  181.994   84.763 85.62396 93.13621 
1 1 1    8    9    0 o  766.565  115.616  1674.48  335.262  1552.89  463.303  1808.15  485.758  732.145  165.985  800.985  160.989 -68.83954 231.2324 
1 1 1    8    9    1 o  210.659   47.297   93.012   43.695   90.267   61.685   95.775   61.903  208.136   66.915  213.181   66.862 -5.045059 94.59457 
1 1 1    8    9    2 o  464.454   72.912  507.450  128.730  482.920  180.339  532.936  183.816  451.676  104.404  477.232  101.805 -25.55652 145.8233 
1 1 1    8    9    3 o  717.228  104.185  1367.13  281.778  1276.78  390.727  1465.03  406.743  688.549  149.684  745.906  144.957 -57.35712 208.3696 
1 1 1    8    9    4 o  581.002   84.118  815.598  184.267  756.015  255.884  879.779  265.571  556.058  121.331  605.945  116.541 -49.88782 168.2355 
1 1 1    8    9    5 o  215.882   46.695   96.960   43.383   79.103   60.419  115.964   62.331  198.706   66.368  233.057   65.703 -34.35008 93.38995 
1 1 1    8    9    6 o  179.229   42.634   62.411   35.436   71.524   50.010   53.221   50.219  188.019   60.230  170.440   60.358 17.57950 85.26868 
1 1 1    8    9    7 o  616.131   85.424  893.512  197.909  985.102  286.783  810.232  273.463  649.919  117.394  582.343  124.128 67.57617 170.8482 
1 1 1    8    9    8 o  326.104   50.714  229.603   60.897  241.322   74.684  206.352  105.196  345.324   55.421  306.884   84.949 38.43936 101.4287 
1 1 1    8    9    9 o  695.491   55.941  1007.60  151.469  1107.18  221.238  919.742  207.810  728.465   77.825  662.516   80.378 65.94830 111.8810 
1 1 1    8    9   10 o  549.422   48.043  613.119  102.053  739.547  151.365  507.752  138.184  602.239   64.406  496.604   71.304 105.6350 96.08556 
1 1 1    8    9   11 o  398.139   53.338  326.301   76.221  313.956   92.521  352.376  134.466  393.825   60.201  402.453   88.065 -8.627747 106.6754 
1 1 1    8    9   12 o  477.300   60.405  492.184  102.844  509.834  126.674  458.050  176.155  500.693   64.831  453.906  101.941 46.78717 120.8100 
1 1 1    8    9   13 o  468.483   59.505  468.098   99.700  474.367  122.407  455.743  171.846  483.000   64.942  453.966   99.728 29.03400 119.0094 
1 1 1    8    9   14 o  673.573   86.283  1026.24  221.777  1126.12  322.018  936.105  305.884  712.614  115.796  634.531  127.947 78.08282 172.5663 
1 1 1    8    9   15 o  542.160   76.241  657.144  155.474  743.763  227.165  580.818  213.242  578.560  104.458  505.759  111.081 72.80103 152.4816 
1 1 1    8    9   16 o  462.300  104.500  482.654  184.096  482.654  184.096   0.0000   0.0000  462.300  104.500  ?   ?       ?      ? 
1 1 1    8    9   17 o  407.334   70.435  374.759  110.684  366.217  165.456  381.678  148.910  400.593  104.679  414.074   94.268 -13.48108 140.8698 
1 1 1    8    9   18 o  857.887  107.374  1788.74  345.746  2375.34  544.661  1392.83  447.460  987.871  141.284  727.902  161.726 259.9689 214.7478 
1 1 1    8    9   19 o  361.625   67.264  292.709   95.278  311.584  147.227  279.107  124.978  369.734   99.742  353.515   90.275 16.21893 134.5289 
1 1 1    8    9   20 f  400.279   50.024  402.124   48.248  424.346   51.832  257.920  132.037  463.699   28.644  336.858   95.859 126.8404 100.0473 
1 1 1    8    9   22 o  556.733  123.919  792.701  262.296   0.0000   0.0000  792.701  262.296  ?   ?   556.733  123.919      ?      ? 
1 1 1    8    9   23 o  456.331   57.047  509.273   54.464  518.897   57.192  415.561  178.465  511.019   28.679  401.643  110.430 109.3758 114.0932 
1 1 1    8    9   24 o  372.813   53.765  358.780   44.948  368.792   47.178  260.305  147.959  430.207   28.102  315.419  103.792 114.7885 107.5292 
1 1 1    8    9   25 o  202.780   43.312   82.611   23.625   83.013   24.359   76.233   97.006  203.203   30.718  202.356   80.996 0.8468628 86.62495 
1 1 1    8    9   26 o  214.009   47.775   64.823   22.413   59.782   22.917  175.658  107.464  168.142   36.011  259.877   88.504 -91.73491 95.54962 
1 1 1    8    9   27 o  119.170   39.173   9.9586   12.801   10.530   12.903 -25.6227  101.835   81.326   30.323  157.014   72.240 -75.68739 78.34618 
1 1 1    8    9   29 o  351.638   28.641  250.834   39.302  250.834   39.302   0.0000   0.0000  351.638   28.641  ?   ?       ?      ? 
1 1 1    8    9   30 o  178.499   37.020   69.055   24.941   69.055   24.941   0.0000   0.0000  178.499   37.020  ?   ?       ?      ? 
1 1 1    8    9   31 o  287.474   60.833  272.769   71.169  276.591   76.508  248.216  193.910  336.358   60.513  238.590  105.549 97.76787 121.6653 
1 1 1    8    9   32 o  116.694   41.187   0.2086   20.781   2.8101   20.946 -162.5723  165.689   84.114   35.958  149.274   74.111 -65.15997 82.37339 
1 1 1    8    9   33 o  222.066   50.742  124.466   35.461  123.663   36.280  141.658  167.860  239.117   38.880  205.015   93.741 34.10239 101.4836 
1 1 1    8    9   34 o  182.455   52.503   94.008   60.591  114.445   67.793   12.857  135.089  200.319   70.200  164.590   78.091 35.72859 105.0063 
1 1 1    8   10    0 o  221.132   48.508  102.455   46.220  105.276   65.469   99.651   65.262  223.665   68.535  218.599   68.666 5.065933 97.01596 
1 1 1    8   10    1 o  236.772   49.347  118.749   49.087   98.632   68.534  139.940   70.341  218.541   70.561  255.004   69.006 -36.46284 98.69501 
1 1 1    8   10    2 o  647.412   90.546  1017.70  220.609  965.002  307.693  1073.45  316.469  627.904  129.858  666.920  126.220 -39.01642 181.0930 
1 1 1    8   10    3 f  406.678   66.564  372.629  103.557  368.155  146.135  377.142  146.770  404.036   94.387  409.321   93.882 -5.284546 133.1273 
1 1 1    8   10    4 o  274.129   48.058  155.623   49.005  143.468   59.996  179.988   84.942  260.208   60.268  288.050   74.874 -27.84213 96.11651 
1 1 1    8   10    5 o  588.354   61.127  692.458  131.047  615.839  156.097  875.389  241.197  543.657   73.576  633.050   97.634 -89.39282 122.2535 
1 1 1    8   10    6 o  615.996   85.130  885.311  197.265  843.993  275.472  928.800  282.616  599.644  121.875  632.348  118.891 -32.70453 170.2605 
1 1 1    8   10    7 o  524.938   64.301  607.378  120.034  632.573  148.202  559.331  204.655  554.597   68.477  495.280  108.855 59.31662 128.6024 
1 1 1    8   10    8 o  160.465   38.431   49.384   27.682   54.994   32.993   36.043   50.880  164.270   48.273  156.661   59.811 7.609634 76.86118 
1 1 1    8   10    9 o  669.030   72.900  983.153  173.151  992.189  212.596  965.348  298.424  690.754   78.868  647.305  122.628 43.44904 145.8005 
1 1 1    8   10   10 f  655.792   54.304  887.021  138.572  984.323  201.168  799.163  191.157  690.968   74.605  620.617   78.929 70.35126 108.6079 
1 1 1    8   10   11 o   90.853   26.534   6.7703   12.457   7.6845   13.744   2.5610   29.490   79.372   30.878  102.335   43.160 -22.96211 53.06859 
1 1 1    8   10   12 o  223.256   43.446  103.542   37.414  104.457   45.349  101.594   66.208  223.949   52.759  222.564   69.041 1.385178 86.89120 
1 1 1    8   10   13 o  677.552   75.470  1020.75  181.199  1049.05  223.377  966.283  309.851  710.042   80.616  645.061  127.609 64.98126 150.9402 
1 1 1    8   10   14 o  262.271   47.609  142.731   46.950  136.843   57.446  154.577   81.476  255.324   58.860  269.217   74.846 -13.89336 95.21806 
1 1 1    8   10   15 o  143.538   36.722   34.847   25.775   34.929   32.339   34.705   42.678  139.077   48.500  147.998   55.154 -8.921112 73.44498 
1 1 1    8   10   16 o  336.479   51.104  248.704   64.323  278.117   81.334  199.589  105.103  370.683   56.226  302.276   85.354 68.40717 102.2088 
1 1 1    8   10   17 o  303.752   53.454  201.398   62.671  212.262   81.741  185.906   97.616  315.432   68.378  292.072   82.182 23.36023 106.9084 
1 1 1    8   10   18 o  228.770   50.433  108.208   50.042  126.426   73.164   92.194   68.597  243.829   71.953  213.711   70.689 30.11800 100.8666 
1 1 1    8   10   19 o  212.077   50.690   77.722   46.783  130.070   86.283   55.925   55.678  247.852   79.083  176.301   63.433 71.55060 101.3803 
1 1 1    8   10   20 o  157.350   44.896   20.982   45.519 -44.0418   76.372   56.808   56.689  137.527   63.010  177.174   63.972 -39.64752 89.79262 
1 1 1    8   10   21 o  487.696   30.276  471.596   57.620  471.596   57.620   0.0000   0.0000  487.696   30.276  ?   ?       ?      ? 
1 1 1    8   10   22 o  202.742   37.994  103.177   25.380  112.866   26.843   21.478   77.948  238.430   28.849  167.053   70.298 71.37642 75.98722 
1 1 1    8   10   23 o  385.904   54.068  398.245   48.400  414.987   51.167  255.873  149.207  456.456   28.725  315.352  104.251 141.1035 108.1364 
1 1 1    8   10   24 o  178.975   38.839   67.291   20.328   69.647   20.981   31.177   82.144  186.607   28.811  171.343   72.137 15.26474 77.67786 
1 1 1    8   10   25 o  227.539   41.913  143.270   30.048  154.049   31.304   16.903  107.185  276.919   28.967  178.159   78.661 98.76003 83.82555 
1 1 1    8   10   26 o   99.680   31.742   19.925   13.906   19.925   13.906   0.0000   0.0000   99.680   31.742  ?   ?       ?      ? 
1 1 1    8   10   27 o  142.281   33.183   42.841   18.086   42.841   18.086   0.0000   0.0000  142.281   33.183  ?   ?       ?      ? 
1 1 1    8   10   28 o  222.263   51.156   97.180   27.044   96.096   27.485  130.129  151.502  216.778   32.490  227.747   97.016 -10.96973 102.3120 
1 1 1    8   10   29 o  317.111   51.053  349.859   46.790  366.701   48.183   71.116  196.018  424.194   29.107  210.028   97.870 214.1668 102.1061 
1 1 1    8   10   30 o  123.475   38.310   32.824   20.385   32.824   20.385   0.0000   0.0000  123.475   38.310  ?   ?       ?      ? 
1 1 1    8   10   31 o  291.565  125.417  552.059  257.663   0.0000   0.0000  552.059  257.663  ?   ?   291.565  125.417      ?      ? 
1 1 1    8   10   32 o  189.339   51.934  101.460   58.388  125.520   62.442 -65.9715  164.721  216.140   67.048  162.538   79.330 53.60242 103.8685 
1 1 1    8   10   33 f  179.234   55.384   70.107   64.134   55.874   72.948  118.560  134.593  161.982   68.076  196.486   87.379 -34.50368 110.7677 
1 1 1    8   11    0 o  405.433   65.574  365.246  101.584  334.437  141.668  397.852  145.741  386.550   94.668  424.316   90.762 -37.76559 131.1478 
1 1 1    8   11    1 o  493.806   73.553  552.160  137.258  542.136  193.376  562.339  194.857  488.845  104.533  498.766  103.503 -9.920746 147.1051 
1 1 1    8   11    2 o  117.756   31.057   20.770   19.303   14.178   26.982   27.682   27.627  109.520   43.074  125.992   44.751 -16.47144 62.11322 
1 1 1    8   11    3 o  626.307   71.015  861.565  158.209  858.286  193.815  868.113  273.886  641.000   77.481  611.615  119.035 29.38458 142.0305 
1 1 1    8   11    4 o  480.956   57.868  472.188   99.786  434.536  120.557  554.107  177.823  460.123   67.141  501.789   94.272 -41.66611 115.7370 
1 1 1    8   11    5 o  302.186   49.986  192.693   55.546  188.866   68.164  200.256   95.831  300.223   60.275  304.149   79.757 -3.926270 99.97175 
1 1 1    8   11    6 o  241.099   45.520  116.490   41.464  104.144   50.232  142.890   73.455  222.914   57.399  259.283   70.665 -36.36890 91.03944 
1 1 1    8   11    7 o  390.314   55.079  325.284   77.654  333.089   95.238  309.802  134.129  405.511   60.183  375.117   92.265 30.39359 110.1585 
1 1 1    8   11    8 o  273.272   49.156  165.734   51.541  185.930   62.899  124.458   89.922  299.532   55.866  247.011   80.897 52.52159 98.31221 
1 1 1    8   11    9 o  326.855   52.126  226.080   61.318  224.965   73.968  228.529  109.636  329.090   59.799  324.621   85.397 4.469086 104.2528 
1 1 1    8   11   10 o  251.001   40.976  132.704   39.231  141.374   52.849  122.062   58.550  260.965   53.686  241.038   61.918 19.92712 81.95158 
1 1 1    8   11   11 o  615.828   67.481  793.470  147.634  753.689  178.165  880.636  263.730  604.393   75.539  627.262  111.842 -22.86890 134.9618 
1 1 1    8   11   12 o   96.659   28.131   7.9765   14.462   9.3422   16.156   2.4684   32.445   86.409   33.516  106.910   45.190 -20.50101 56.26289 
1 1 1    8   11   13 o  467.604   58.060  461.849   96.831  457.680  118.147  470.381  169.002  473.979   63.875  461.229   96.972 12.74985 116.1193 
1 1 1    8   11   14 o  192.767   42.260   76.960   34.575   85.550   42.248   59.541   60.161  202.500   52.887  183.033   65.929 19.46693 84.52032 
1 1 1    8   11   15 o  436.259   57.638  402.979   90.472  395.782  110.681  417.469  157.055  439.667   64.509  432.850   95.536 6.817200 115.2761 
1 1 1    8   11   16 o  411.735   57.264  362.049   85.768  359.674  105.793  366.603  146.504  418.654   64.754  404.816   94.464 13.83823 114.5275 
1 1 1    8   11   17 o  322.690   51.281  230.477   64.068  275.738   83.778  166.721   99.430  367.997   58.338  277.382   84.354 90.61447 102.5620 
1 1 1    8   11   18 o  737.422   83.523  1334.68  217.738  1673.28  289.842  896.063  329.885  884.695   83.953  590.150  144.418 294.5457 167.0467 
1 1 1    8   11   19 o  243.646   53.804  124.880   56.664  147.803   85.224  106.717   75.862  260.698   77.832  226.595   74.308 34.10297 107.6083 
1 1 1    8   11   20 o  185.074   51.527   51.702   49.114   35.476  102.577   56.528   55.943  194.335   81.134  175.813   63.540 18.52171 103.0537 
1 1 1    8   11   21 o  202.946   53.773   73.634   53.931   86.276   98.578   68.235   64.428  217.021   83.157  188.871   68.199 28.14998 107.5464 
1 1 1    8   11   22 o  747.715   65.051  1201.98  189.812  1201.98  189.812   0.0000   0.0000  747.715   65.051  ?   ?       ?      ? 
1 1 1    8   11   23 o  181.431   36.938   76.741   21.878   82.174   22.903   20.101   73.950  202.798   28.940  160.064   67.973 42.73366 73.87680 
1 1 1    8   11   24 o  121.121   33.139   30.647   16.118   30.647   16.118   0.0000   0.0000  121.121   33.139  ?   ?       ?      ? 
1 1 1    8   11   25 o  482.906   30.973  471.616   58.368  471.616   58.368   0.0000   0.0000  482.906   30.973  ?   ?       ?      ? 
1 1 1    8   11   26 o  152.561   41.940   35.649   17.562   35.888   17.846   28.325   98.774  130.161   34.556  174.962   76.431 -44.80011 83.87978 
1 1 1    8   11   27 o  266.244   47.461  208.565   36.720  219.052   38.016   62.568  141.845  328.814   29.627  203.674   90.180 125.1399 94.92177 
1 1 1    8   11   28 o  270.532  107.875  255.057  171.406   0.0000   0.0000  255.057  171.406  ?   ?   270.532  107.875      ?      ? 
1 1 1    8   11   29 o  317.413   60.599  341.672   84.020  372.705   93.297  208.501  193.269  397.321   60.172  237.505  105.207 159.8165 121.1988 
1 1 1    8   11   30 o  241.051   47.724  171.221   33.684  175.507   34.275   50.085  182.228  291.345   30.146  190.758   90.562 100.5880 95.44807 
1 1 1    8   11   31 o  118.571   41.427   9.1958   15.935   10.780   15.993 -207.7101  187.158   85.403   33.286  151.740   75.875 -66.33691 82.85457 
1 1 1    8   11   32 o  151.458   49.766   14.804   57.720   22.903   62.502 -32.1315  150.461  139.905   60.966  163.011   78.676 -23.10635 99.53286 
1 1 1    8   11   33 o  174.861   41.757   83.150   30.631   91.002   31.523 -49.7393  129.683  200.241   41.695  149.480   72.362 50.76065 83.51466 
1 1 1    8   12    0 o  720.689   95.667  1233.51  259.156  1206.03  364.217  1261.68  368.832  711.606  136.116  729.773  134.466 -18.16693 191.3341 
1 1 1    8   12    1 o  387.270   64.196  329.669   95.329  324.541  134.461  334.851  135.174  384.068   91.092  390.473   90.480 -6.405090 128.3914 
1 1 1    8   12    2 o  345.556   85.861  260.481  115.271  260.481  115.271   0.0000   0.0000  345.556   85.861  ?   ?       ?      ? 
1 1 1    8   12    3 o  394.059   59.976  314.564   92.229  314.564   92.229   0.0000   0.0000  394.059   59.976  ?   ?       ?      ? 
1 1 1    8   12    4 o  1157.81  127.859  3062.27  577.698  3062.27  577.698   0.0000   0.0000  1157.81  127.859  ?   ?       ?      ? 
1 1 1    8   12    5 o  604.524   73.825  752.892  174.160  752.892  174.160   0.0000   0.0000  604.524   73.825  ?   ?       ?      ? 
1 1 1    8   12    6 o  288.811   80.697  178.865   94.464  178.865   94.464   0.0000   0.0000  288.811   80.697  ?   ?       ?      ? 
1 1 1    8   12    7 o  761.325   86.244  1215.05  256.231  1215.05  256.231   0.0000   0.0000  761.325   86.244  ?   ?       ?      ? 
1 1 1    8   12    8 o  664.299   78.132  913.546  202.547  913.546  202.547   0.0000   0.0000  664.299   78.132  ?   ?       ?      ? 
1 1 1    8   12    9 o  897.235   88.547  1781.74  288.659  1717.86  349.082  1919.85  513.323  894.432  100.011  900.038  146.150 -5.606079 177.0930 
1 1 1    8   12   10 o  387.168   54.109  325.008   74.998  344.217   91.789  286.427  130.086  413.222   56.921  361.114   92.040 52.10742 108.2189 
1 1 1    8   12   11 o  269.841   47.484  145.197   46.280  131.628   54.779  179.030   86.501  250.696   57.250  288.986   75.773 -38.29033 94.96893 
1 1 1    8   12   12 o  591.724   69.350  777.967  145.227  810.017  179.127  716.492  248.084  626.000   73.326  557.448  117.733 68.55231 138.7003 
1 1 1    8   12   13 o  179.865   42.608   62.237   32.858   64.548   38.355   55.865   63.692  177.389   52.026  182.340   67.491 -4.950470 85.21586 
1 1 1    8   12   14 o  151.859   38.034   40.127   31.008   64.660   36.170 -27.9079   60.232  176.977   50.105  126.740   57.235 50.23769 76.06850 
1 1 1    8   12   15 o  531.515   66.963  644.067  126.778  703.713  158.534  538.260  211.151  583.237   69.654  479.793  114.387 103.4443 133.9259 
1 1 1    8   12   16 o  468.350   60.205  462.586  101.509  439.242  123.730  510.645  177.530  460.642   68.831  476.057   98.797 -15.41522 120.4094 
1 1 1    8   12   17 o  281.815   50.206  179.775   56.812  225.375   73.795  113.422   89.018  327.482   59.953  236.148   80.550 91.33411 100.4126 
1 1 1    8   12   18 o  254.826   49.586  137.917   53.627  199.385   76.775   79.355   74.938  304.605   66.457  205.046   73.611 99.55913 99.17166 
1 1 1    8   12   19 o  185.800   47.855   49.923   43.725  104.570   76.817   23.732   53.181  223.913   74.834  147.687   59.667 76.22658 95.70987 
1 1 1    8   12   20 o  745.958   97.310  1290.20  283.271  1290.20  283.271   0.0000   0.0000  745.958   97.310  ?   ?       ?      ? 
1 1 1    8   12   21 o  462.146  127.513  599.011  237.463  599.011  237.463   0.0000   0.0000  462.146  127.513  ?   ?       ?      ? 
1 1 1    8   12   22 o  778.456   59.830  1299.98  181.753  1299.98  181.753   0.0000   0.0000  778.456   59.830  ?   ?       ?      ? 
1 1 1    8   12   23 o  167.977   75.281  -4.8423  101.979  -4.8423  101.979   0.0000   0.0000  167.977   75.281  ?   ?       ?      ? 
1 1 1    8   12   24 o  142.494   39.502   27.907   14.987   27.738   15.238   32.922   82.969  115.328   32.476  169.660   72.020 -54.33152 79.00376 
1 1 1    8   12   25 o  233.179   45.318  125.329   28.673  126.741   29.775  107.320  106.354  250.229   30.492  216.128   85.353 34.10019 90.63644 
1 1 1    8   12   26 o  195.894   43.787   82.338   24.340   84.011   24.945   49.106  111.166  203.265   31.448  188.524   81.732 14.74136 87.57338 
1 1 1    8   12   27 o  221.167   46.206  124.055   28.999  128.037   29.603   29.299  144.402  250.828   30.243  191.505   87.322 59.32301 92.41110 
1 1 1    8   12   28 o  265.413   53.057  161.413   32.595  158.646   33.360  219.739  153.173  278.060   30.743  252.766  101.563 25.29404 106.1146 
1 1 1    8   12   29 o  320.185   51.184  336.640   76.231  454.332   92.892   93.914  133.402  443.902   53.624  196.468   87.199 247.4333 102.3682 
1 1 1    8   12   30 o  285.746   52.633  268.479   69.245  321.795   81.203  126.379  132.568  367.818   56.573  203.673   88.771 164.1441 105.2654 
1 1 1    8   12   31 o  247.198   52.071  208.230   64.865  245.876   71.968   45.245  149.743  314.191   60.895  180.205   84.482 133.9862 104.1416 
1 1 1    8   12   32 o  155.919   74.491 -20.9407  127.322   0.0000   0.0000 -20.9407  127.322  ?   ?   155.919   74.491      ?      ? 
1 1 1    8   13    0 o  234.601   49.652  114.204   49.180  100.789   68.943  128.103   70.175  222.530   70.659  246.672   69.776 -24.14224 99.30413 
1 1 1    8   13    1 o  946.741  126.119  2323.24  448.582  2475.82  648.174  2182.97  621.452  980.458  175.868  913.024  180.815 67.43414 252.2375 
1 1 1    8   13    2 o  328.566   51.819  230.256   62.651  233.002   78.029  225.274  105.101  334.337   62.091  322.795   82.978 11.54233 103.6375 
1 1 1    8   13    3 o  481.156   59.448  485.473  102.792  475.474  125.997  505.372  177.751  482.966   66.851  479.346   98.322 3.619080 118.8965 
1 1 1    8   13    4 o  565.874   66.986  703.279  134.865  736.940  167.205  640.606  228.153  599.466   71.475  532.282  113.314 67.18475 133.9728 
1 1 1    8   13    5 o  219.998   48.572   98.698   46.197   94.312   63.428  103.653   67.419  215.316   67.704  224.681   69.665 -9.365234 97.14455 
1 1 1    8   13    6 o  403.490   66.649  357.749  103.047  357.833  146.233  357.666  145.232  403.423   94.537  403.557   93.973 -0.1346741 133.2976 
1 1 1    8   13    7 o  945.477   91.494  1952.03  312.546  1809.88  373.052  2286.76  572.465  913.924  104.599  977.029  150.144 -63.10565 182.9872 
1 1 1    8   13    8 o  307.620   50.237  189.830   55.304  171.331   65.926  233.765  101.601  285.893   60.953  329.348   79.873 -43.45486 100.4741 
1 1 1    8   13    9 o  357.267   55.378  276.286   71.487  287.868   86.020  250.427  128.528  377.358   58.414  337.175   94.100 40.18323 110.7564 
1 1 1    8   13   10 o  158.145   38.513   47.159   28.327   54.627   34.324   31.211   50.160  164.241   49.476  152.050   59.034 12.19084 77.02541 
1 1 1    8   13   11 o  702.113   76.890  1089.94  190.829  1074.35  232.095  1122.47  335.263  714.436   83.247  689.790  129.299 24.64679 153.7798 
1 1 1    8   13   12 o  574.991   67.300  710.676  136.634  692.083  165.150  751.014  243.249  577.592   73.270  572.390  112.911 5.202393 134.6006 
1 1 1    8   13   13 o  223.614   47.676   95.026   40.169   85.103   46.087  126.394   81.939  201.917   56.347  245.311   76.923 -43.39366 95.35248 
1 1 1    8   13   14 o  618.058   74.822  879.965  163.021  930.115  201.267  784.305  277.971  665.797   77.464  570.318  128.035 95.47931 149.6449 
1 1 1    8   13   15 o  524.946   68.556  570.592  140.441  570.592  140.441   0.0000   0.0000  524.946   68.556  ?   ?       ?      ? 
1 1 1    8   13   16 o  264.450   47.159  161.328   57.142  239.395   71.598   24.361   94.837  343.561   53.403  185.339   77.742 158.2227 94.31751 
1 1 1    8   13   17 o  240.925   68.165  124.808   66.964  124.808   66.964   0.0000   0.0000  240.925   68.165  ?   ?       ?      ? 
1 1 1    8   13   18 o  683.956   87.170  1031.61  232.664  1031.61  232.664   0.0000   0.0000  683.956   87.170  ?   ?       ?      ? 
1 1 1    8   13   19 o  153.420   68.852 -23.0077   85.617 -23.0077   85.617   0.0000   0.0000  153.420   68.852  ?   ?       ?      ? 
1 1 1    8   13   20 o  181.639   77.993   21.025   99.327   21.025   99.327   0.0000   0.0000  181.639   77.993  ?   ?       ?      ? 
1 1 1    8   13   21 o  288.667   68.670  198.527   86.341  251.675  155.453  174.817  103.829  308.169  106.398  269.164   86.844 39.00510 137.3406 
1 1 1    8   13   22 o  206.431   59.916   73.128   66.936   77.797  148.107   71.930   75.037  221.923   95.263  190.939   72.697 30.98358 119.8329 
1 1 1    8   13   23 o  215.324   58.320  103.690   67.614  102.522  108.749  104.426   86.329  217.030   86.119  213.617   78.666 3.412704 116.6392 
1 1 1    8   13   24 o  406.865   65.369  454.844  101.713  497.409  128.527  383.514  166.378  460.201   71.567  353.529  109.409 106.6722 130.7370 
1 1 1    8   13   25 f  129.211   39.589   15.191   11.892   14.887   12.000   31.830   88.769   88.061   29.577  170.361   73.447 -82.29990 79.17854 
1 1 1    8   13   26 o  235.411   45.610  143.710   31.233  148.612   32.349   76.300  119.956  270.233   30.676  200.589   85.908 69.64366 91.22084 
1 1 1    8   13   27 o  227.475   58.340  135.317   76.129  221.267  102.249   28.405  114.038  278.881   85.681  176.070   79.203 102.8114 116.6807 
1 1 1    8   13   28 o  161.373   51.288   23.594   66.871   34.080   85.332   6.9046  107.651  161.215   70.716  161.532   74.302 -0.3171082 102.5752 
1 1 1    8   13   29 f  160.575   66.764   51.310   69.051   51.310   69.051   0.0000   0.0000  160.575   66.764  ?   ?       ?      ? 
1 1 1    8   13   30 o  157.301   44.755   34.479   19.466   31.913   19.821  104.270  103.357  121.244   37.803  193.358   81.136 -72.11416 89.51009 
1 1 1    8   13   31 o  182.952   38.253   94.478   25.467  101.730   26.009 -74.0986  125.397  221.164   30.135  144.739   70.321 76.42525 76.50585 
1 1 1    8   13   32 o  322.321   51.051  379.264   46.478  389.842   47.857  203.656  194.988  433.576   28.285  211.067   98.106 222.5082 102.1020 
1 1 1    8   14    0 o  444.272   68.726  434.761  115.838  423.596  163.161  446.109  164.486  438.045   97.910  450.500   96.471 -12.45538 137.4518 
1 1 1    8   14    1 o  278.272   48.924  166.178   52.207  175.770   66.693  151.000   83.897  289.761   60.914  266.782   76.575 22.97882 97.84769 
1 1 1    8   14    2 o  433.595   57.250  404.279   90.124  422.513  112.715  371.957  150.064  456.214   63.311  410.976   95.403 45.23837 114.4995 
1 1 1    8   14    3 o  467.102   59.616  463.053  100.128  463.394  123.188  462.389  171.887  476.861   66.198  457.344   99.166 19.51630 119.2313 
1 1 1    8   14    4 o  151.720   37.367   42.046   27.695   54.457   34.768   20.497   45.812  164.327   49.861  139.112   55.668 25.21544 74.73310 
1 1 1    8   14    5 o  252.340   52.267  133.241   54.679  121.062   74.115  147.787   80.998  240.835   72.736  263.844   75.079 -23.00824 104.5345 
1 1 1    8   14    6 o  261.971   55.675  145.158   61.514  141.777   88.617  148.303   85.458  259.580   79.768  264.362   77.693 -4.782593 111.3509 
1 1 1    8   14    7 o  317.159   52.979  216.352   61.411  219.821   74.370  208.918  108.881  324.462   60.974  309.857   86.657 14.60422 105.9588 
1 1 1    8   14    8 o  305.828   46.167  157.828   48.660  110.289   55.808  308.563   99.375  229.013   61.253  382.644   69.093 -153.6308 92.33497 
1 1 1    8   14    9 o  156.668   41.582   12.157   20.625   5.1764   21.437   99.069   75.642   90.876   37.439  222.459   74.260 -131.5829 83.16405 
1 1 1    8   14   10 o  497.554   62.842  505.459  122.018  505.459  122.018   0.0000   0.0000  497.554   62.842  ?   ?       ?      ? 
1 1 1    8   14   11 o  485.343   62.958  481.667  119.242  481.667  119.242   0.0000   0.0000  485.343   62.958  ?   ?       ?      ? 
1 1 1    8   14   12 f  184.121   55.618   69.494   43.331   69.494   43.331   0.0000   0.0000  184.121   55.618  ?   ?       ?      ? 
1 1 1    8   14   13 o  231.476   51.109   99.775   44.124   89.649   49.661  137.737   96.156  206.939   58.754  256.012   83.645 -49.07368 102.2182 
1 1 1    8   14   15 o  331.712   65.886  245.659   88.769  209.989  118.999  290.409  133.289  306.150   92.100  357.274   94.242 -51.12430 131.7723 
1 1 1    8   14   16 o  246.094   58.966  127.268   67.358  127.122   98.519  127.395   92.302  246.693   84.729  245.495   82.031 1.198425 117.9324 
1 1 1    8   14   17 o  284.696   64.062  182.834   81.583  140.233  116.281  224.135  114.492  257.254   91.765  312.137   89.414 -54.88284 128.1231 
1 1 1    8   14   18 o  269.800   57.915  167.455   67.184  191.141   88.795  135.738  102.752  290.476   77.064  249.123   86.474 41.35281 115.8300 
1 1 1    8   14   19 o  346.082   59.436  285.524   82.162  378.784  115.679  190.585  116.716  409.853   75.094  282.312   92.151 127.5402 118.8729 
1 1 1    8   14   20 o  247.705   57.144  121.913   63.670  225.615  108.463   67.391   78.646  303.669   87.039  191.741   74.066 111.9277 114.2873 
1 1 1    8   14   21 o  210.313   58.065   77.737   62.668  136.728  120.215   55.724   73.436  241.230   91.975  179.397   70.900 61.83284 116.1299 
1 1 1    8   14   22 o  237.946   92.636 -137.4701   28.574  137.761  123.770 -152.9656   29.368  237.946   92.636  ?   ?       ?      ? 
1 1 1    8   14   23 o  247.502   66.649  146.533   83.376  226.180  151.482  111.918   99.864  276.842  103.763  218.163   83.673 58.67935 133.2971 
1 1 1    8   14   24 o  157.566   49.022   13.336   56.690   11.808   93.945   14.211   71.093  164.900   73.183  150.232   65.246 14.66820 98.04462 
1 1 1    8   14   25 o  138.195   44.389 -21.8353   53.264 -59.3683   75.391   15.570   75.263  123.557   58.540  152.833   66.742 -29.27659 88.77752 
1 1 1    8   14   26 o  193.477   56.649   70.785   72.604  132.831  104.526   12.942  100.924  221.848   85.474  165.106   74.368 56.74223 113.2976 
1 1 1    8   14   27 o  144.522   68.055 -36.2775   99.053   0.0000   0.0000 -36.2775   99.053  ?   ?   144.522   68.055      ?      ? 
1 1 1    8   14   28 o  113.078   34.877   18.235   14.741   21.260   14.881 -140.2582  107.715  101.465   32.892  124.690   61.513 -23.22478 69.75452 
1 1 1    8   14   29 o  232.312   30.693  112.179   27.825  112.179   27.825   0.0000   0.0000  232.312   30.693  ?   ?       ?      ? 
1 1 1    8   14   30 o  160.482   49.746   45.705   55.327   60.958   60.744 -28.5546  134.030  162.766   64.434  158.199   75.808 4.567032 99.49117 
1 1 1    8   14   31 o  229.809   49.575  181.443   56.353  203.751   59.393 -19.8758  178.423  289.794   54.520  169.825   82.815 119.9690 99.14990 
1 1 1    8   15    0 o  124.583   33.179   21.549   22.378   33.667   32.130   10.133   31.185  137.501   48.320  111.665   45.481 25.83568 66.35745 
1 1 1    8   15    1 o  944.492  102.783  2209.59  343.698  2475.11  440.376  1795.81  549.741  1063.80  106.080  825.186  176.081 238.6102 205.5663 
1 1 1    8   15    2 o  258.085   46.880  143.770   47.050  156.637   59.933  123.103   75.957  273.621   57.933  242.548   73.720 31.07315 93.75992 
1 1 1    8   15    3 o  193.929   48.030   63.683   42.591   94.723   75.564   49.230   51.562  219.303   74.217  168.555   60.988 50.74837 96.06052 
1 1 1    8   15    4 o  296.990   57.960  186.395   69.389  232.314  105.816  151.752   91.910  326.791   82.859  267.188   81.067 59.60336 115.9201 
1 1 1    8   15    5 o  254.742   78.379  136.787   85.528   0.0000   0.0000  136.787   85.528  ?   ?   254.742   78.379      ?      ? 
1 1 1    8   15    6 o  667.693   91.297  1052.57  229.189  982.952  319.178  1126.68  329.305  641.909  131.830  693.477  126.339 -51.56732 182.5942 
1 1 1    8   15    7 o  226.985   52.974  104.373   54.408  106.077   74.019  102.370   80.247  227.495   73.317  226.475   76.483 1.019669 105.9484 
1 1 1    8   15    8 o  590.476   84.791  814.144  188.705  845.835  267.047  782.538  266.691  604.193  117.492  576.759  122.285 27.43433 169.5812 
1 1 1    8   15    9 o  649.708  127.311  1003.73  311.244  1003.73  311.244   0.0000   0.0000  649.708  127.311  ?   ?       ?      ? 
1 1 1    8   15   10 o  814.752   93.062  1640.20  269.404  1292.64  427.157  1869.77  347.155  702.358  159.486  927.147   95.950 -224.7892 186.1241 
1 1 1    8   15   11 o  233.952   53.773  101.813   45.947   96.626   50.354  127.620  112.315  214.340   58.545  253.565   90.214 -39.22443 107.5455 
1 1 1    8   15   12 o  268.137   53.256  123.359   46.465  104.618   50.821  218.817  114.698  222.581   57.944  313.693   89.370 -91.11145 106.5110 
1 1 1    8   15   13 o  139.158   41.813   17.835   29.707   25.729   31.455 -47.3124   90.360  127.412   47.376  150.903   68.912 -23.49139 83.62650 
1 1 1    8   15   14 o  567.074   71.425  675.261  158.060  675.261  158.060   0.0000   0.0000  567.074   71.425  ?   ?       ?      ? 
1 1 1    8   15   15 o  144.972   44.892   6.9746   37.335   11.875   40.528 -20.4952   95.953  124.866   51.465  165.078   73.570 -40.21204 89.78394 
1 1 1    8   15   16 f  409.448   64.346  391.018   96.738  405.925  117.820  360.177  169.467  437.040   69.082  381.856  108.578 55.18335 128.6913 
1 1 1    8   15   17 o  621.689   79.808  856.688  193.620  856.688  193.620   0.0000   0.0000  621.689   79.808  ?   ?       ?      ? 
1 1 1    8   15   18 o  358.776   63.635  316.490   88.162  337.620  112.165  282.335  142.605  383.893   77.541  333.658  100.922 50.23480 127.2708 
1 1 1    8   15   19 o  168.476   48.695   24.502   53.130   77.628   78.139 -21.1774   72.457  197.951   74.460  139.001   62.773 58.94983 97.38957 
1 1 1    8   15   20 o  215.026   54.779   64.824   60.754  201.007  107.073   0.1630   73.780  281.559   87.875  148.494   65.428 133.0645 109.5574 
1 1 1    8   15   21 o  153.408   49.261 -38.5796   46.917   82.782  115.866 -62.3816   51.312  209.230   86.696   97.585   46.800 111.6446 98.52111 
1 1 1    8   15   22 o  314.517   82.108  189.470   96.203  657.756  270.779  121.822  102.917  404.753  140.385  224.281   85.199 180.4715 164.2158 
1 1 1    8   15   23 o  192.387   60.496 -11.6098   62.177  210.895  171.466 -45.2979   66.718  264.201  106.999  120.572   56.483 143.6284 120.9922 
1 1 1    8   15   24 o  136.997   42.514 -44.7828   50.003   62.501   72.257 -143.3744   69.268  177.677   70.294   96.317   47.836 81.36011 85.02701 
1 1 1    8   15   25 o  185.766   61.930   7.2926   78.463  108.887  219.838  -7.5384   83.995  224.246  104.211  147.287   66.942 76.95894 123.8595 
1 1 1    8   15   26 o  197.287   62.123   83.977   94.706 -108.5682  245.139  117.758  102.678  186.571   92.181  208.003   83.304 -21.43199 124.2454 
1 1 1    8   15   27 o  155.269   36.895   59.828   22.012   66.229   22.510 -79.9819  105.200  175.248   34.143  135.290   65.415 39.95757 73.78938 
1 1 1    8   15   28 o  175.748   38.168   83.090   24.317   89.734   24.781 -89.2921  126.226  207.868   30.549  143.628   69.955 64.24013 76.33504 
1 1 1    8   15   29 o  179.740   43.924   76.128   24.538   78.216   24.895   4.8179  145.478  189.902   34.878  169.579   80.627 20.32350 87.84718 
1 1 1    8   15   30 o  141.310   43.779   30.896   18.516   32.129   18.616 -83.1402  179.090  121.080   36.428  161.541   79.620 -40.46109 87.55750 
1 1 1    8   16    0 o  290.546   51.527  185.161   59.145  221.509   79.375  139.786   88.685  323.913   65.054  257.180   79.926 66.73279 103.0543 
1 1 1    8   16    1 o  242.551   48.719  125.437   48.199  134.435   63.369  113.086   74.243  251.759   64.278  233.342   73.230 18.41681 97.43837 
1 1 1    8   16    2 o  730.587   74.389  1159.54  199.514  1125.87  243.634  1228.08  347.631  728.879   85.655  732.295  121.647 -3.416199 148.7773 
1 1 1    8   16    3 o  497.841   74.508  561.670  140.234  566.473  197.620  556.799  199.029  500.562  104.541  495.120  106.193 5.441833 149.0159 
1 1 1    8   16    4 o  498.071   73.307  556.205  137.683  485.307  186.956  640.223  203.523  461.235  106.081  534.907  101.206 -73.67184 146.6147 
1 1 1    8   16    5 o  756.135  145.050  1416.82  412.436  1416.82  412.436   0.0000   0.0000  756.135  145.050  ?   ?       ?      ? 
1 1 1    8   16    7 o  541.471  110.901  674.913  226.455  674.913  226.455   0.0000   0.0000  541.471  110.901  ?   ?       ?      ? 
1 1 1    8   16    8 o  570.526   72.768  677.620  162.011  677.620  162.011   0.0000   0.0000  570.526   72.768  ?   ?       ?      ? 
1 1 1    8   16    9 o  136.402   44.062   10.424   25.402   15.985   25.891 -132.6878  131.339  109.904   42.485  162.901   77.206 -52.99706 88.12301 
1 1 1    8   16   10 o  203.462   50.895   72.029   40.661   69.832   44.332   83.675  102.048  184.520   56.372  222.404   84.754 -37.88364 101.7892 
1 1 1    8   16   11 o  585.268   72.484  717.312  165.551  717.312  165.551   0.0000   0.0000  585.268   72.484  ?   ?       ?      ? 
1 1 1    8   16   12 o  425.439   64.468  374.904  107.033  374.904  107.033   0.0000   0.0000  425.439   64.468  ?   ?       ?      ? 
1 1 1    8   16   13 o  208.549   55.564   62.348   43.445   55.763   46.184  112.983  128.074  169.790   58.019  247.309   94.780 -77.51862 111.1281 
1 1 1    8   16   14 o  281.781   60.222  179.407   65.552  185.813   74.015  156.101  141.176  292.173   66.420  271.389  100.475 20.78369 120.4444 
1 1 1    8   16   16 o  387.751   78.510  395.382  125.920  431.450  168.676  349.979  189.250  414.387  104.365  361.114  117.315 53.27341 157.0191 
1 1 1    8   16   17 o  305.403   66.082  224.375   93.832  344.750  134.599  110.569  130.875  374.375   92.635  236.431   94.266 137.9439 132.1645 
1 1 1    8   16   18 o  330.716   72.323  282.875  105.557  397.474  160.129  194.807  140.375  385.560  104.024  275.871  100.505 109.6898 144.6454 
1 1 1    8   16   19 o  306.298   73.564  242.018  106.847  387.567  171.003  148.804  136.848  365.142  110.531  247.454   97.107 117.6884 147.1284 
1 1 1    8   16   20 o  173.330   55.701  -2.6618   72.861   19.431  142.246 -10.5198   84.835  195.348   88.112  151.312   68.166 44.03580 111.4015 
1 1 1    8   16   21 f  144.069   47.426 -26.8579   56.989 -62.3606  117.558 -15.9517   65.157  156.982   73.989  131.156   59.352 25.82631 94.85244 
1 1 1    8   16   22 o  230.684   62.632  119.587   79.525  208.417  127.319   62.760  101.833  270.157   96.058  191.211   80.400 78.94562 125.2650 
1 1 1    8   16   23 o  149.398   47.737 -16.8250   58.793   34.519   92.146 -52.0785   76.355  172.016   74.494  126.780   59.716 45.23631 95.47397 
1 1 1    8   16   24 o  193.482   57.779   74.717   74.731   95.495  110.516   57.212  101.438  203.463   84.518  183.502   78.806 19.96170 115.5583 
1 1 1    8   16   25 o  136.816   44.856 -24.9336   55.631 -43.1195   71.688   2.5966   88.202  122.572   57.773  151.061   68.634 -28.48820 89.71287 
1 1 1    8   16   26 o  109.833   37.876 -93.5699   51.297 -121.7917   67.693 -55.5066   78.615   96.693   47.894  122.974   58.691 -26.28075 75.75294 
1 1 1    8   16   27 o  126.201   41.514 -30.4918   51.634   11.790   66.733 -93.5652   81.506  137.819   61.393  114.582   55.897 23.23731 83.02753 
1 1 1    8   16   28 o  171.900   34.334   64.171   22.226   64.171   22.226   0.0000   0.0000  171.900   34.334  ?   ?       ?      ? 
1 1 1    8   16   29 o  124.623   40.871   17.086   14.539   17.847   14.617 -53.6858  140.996   94.750   32.630  154.497   74.947 -59.74643 81.74233 
1 1 1    8   16   30 o  131.715   40.938   27.598   17.107   29.534   17.177 -207.9219  189.458  116.162   35.001  147.269   74.017 -31.10638 81.87589 
1 1 1    8   17    0 o  369.167   55.339  304.182   78.478  384.395  105.526  204.920  117.390  433.446   62.387  304.888   91.419 128.5582 110.6780 
1 1 1    8   17    1 o  483.048   73.064  485.662  137.729  485.662  137.729   0.0000   0.0000  483.048   73.064  ?   ?       ?      ? 
1 1 1    8   17    2 o  675.834   77.537  1076.06  186.285  1216.26  238.209  855.341  298.892  759.355   80.386  592.313  132.612 167.0419 155.0740 
1 1 1    8   17    3 o  656.170   76.304  987.770  177.920  1030.83  221.006  908.468  299.925  698.482   81.081  613.857  129.286 84.62512 152.6076 
1 1 1    8   17    4 o  321.223   57.062  233.725   69.171  253.551   83.733  191.121  122.746  346.742   64.247  295.703   94.322 51.03867 114.1243 
1 1 1    8   17    5 o  406.050   56.203  343.605   81.806  325.990   98.770  382.088  145.989  398.551   63.505  413.549   92.748 -14.99829 112.4055 
1 1 1    8   17    6 o  185.300   51.301   47.841   53.723   40.760   72.405   56.515   80.134  177.421   70.311  193.178   74.724 -15.75690 102.6027 
1 1 1    8   17    7 o  692.354   76.622  1063.29  186.260  1020.77  223.949  1158.70  335.472  692.206   82.905  692.502  128.880 -0.2955933 153.2433 
1 1 1    8   17    8 o  321.586   59.491  224.624   67.283  223.463   76.508  228.584  141.340  325.002   62.594  318.169  101.185 6.832550 118.9813 
1 1 1    8   17    9 o  507.740   55.317  537.412  106.242  507.915  133.370  588.632  175.748  493.464   69.258  522.015   86.273 -28.55154 110.6333 
1 1 1    8   17   10 o  350.037   55.795  213.419   63.177  169.352   70.351  397.020  143.599  280.480   65.467  419.594   90.368 -139.1142 111.5900 
1 1 1    8   17   11 o  260.099   61.871  144.196   62.081  151.855   66.689   94.454  169.956  265.021   64.982  255.178  105.307 9.843185 123.7425 
1 1 1    8   17   12 o  552.607   75.778  703.784  140.175  680.350  162.453  772.080  277.338  563.574   73.866  541.641  132.338 21.93286 151.5568 
1 1 1    8   17   13 o  468.163   70.088  464.437  107.232  418.957  120.860  632.672  232.451  442.342   70.015  493.983  121.438 -51.64105 140.1765 
1 1 1    8   17   14 o  340.733   67.103  287.944   85.949  299.235   97.755  249.487  180.414  367.219   70.782  314.246  114.023 52.97198 134.2065 
1 1 1    8   17   15 f  190.883   53.025   63.101   57.604   92.062   64.089 -58.6585  131.408  206.620   68.326  175.146   81.106 31.47336 106.0504 
1 1 1    8   17   16 o  229.494   60.543  103.439   63.009   91.551   71.139  146.715  135.730  206.139   71.930  252.849   97.405 -46.70972 121.0852 
1 1 1    8   17   17 o  195.811   56.991   55.996   61.717   44.724   70.823   91.568  125.813  171.034   68.942  220.589   90.769 -49.55507 113.9824 
1 1 1    8   17   18 o  160.558   50.066  -3.3511   59.726 -34.0350   75.489   48.003   97.660  134.805   62.087  186.310   78.559 -51.50479 100.1312 
1 1 1    8   17   19 o  136.408   45.248 -54.1658   60.784 -44.1912   81.798 -66.4654   90.832  136.032   63.333  136.784   64.642 -0.7521820 90.49674 
1 1 1    8   17   20 o  181.081   53.195  -7.5076   75.592  141.122  102.982 -181.1509  111.311  235.245   86.026  126.917   62.596 108.3284 106.3897 
1 1 1    8   17   21 o  126.818   43.710 -125.9930   69.018 -125.6619  105.597 -126.2400   91.193  132.689   64.481  120.946   59.029 11.74285 87.41999 
1 1 1    8   17   22 o  228.643   64.988  134.334   89.479  173.833  129.275   98.008  123.975  246.556   95.038  210.730   88.665 35.82614 129.9759 
1 1 1    8   17   23 o  175.234   53.630  -5.8552   75.364  135.179  110.208 -129.7385  103.290  222.791   87.226  127.676   62.423 95.11577 107.2609 
1 1 1    8   17   24 o  147.335   47.884 -55.4113   66.218   72.512  100.098 -154.9547   88.299  185.120   78.858  109.551   54.340 75.56970 95.76785 
1 1 1    8   17   25 o  127.614   43.484 -101.3614   64.999   2.6021   95.454 -191.2461   88.756  152.399   70.051  102.829   51.540 49.56956 86.96877 
1 1 1    8   17   26 o  134.977   44.651 -22.2226   58.026 -13.7925   75.147 -34.6716   91.319  132.991   61.497  136.964   64.754 -3.973679 89.30246 
1 1 1    8   17   27 o  135.695   61.828 -107.0221   59.026  -0.5730   72.224 -321.1322  102.430  135.695   61.828  ?   ?       ?      ? 
1 1 1    8   17   28 o  173.020   73.642   70.129   87.160   70.129   87.160   0.0000   0.0000  173.020   73.642  ?   ?       ?      ? 
1 1 1    8   17   29 o  272.015   49.698  238.968   40.848  242.995   42.022  169.910  174.015  339.582   31.710  204.449   94.201 135.1326 99.39503 
1 1 1    8   18    0 o  228.610   47.969  111.433   49.903  159.378   65.574   45.452   76.925  273.583   62.754  183.636   72.568 89.94720 95.93894 
1 1 1    8   18    1 o  463.835   69.101  446.963  125.077  446.963  125.077   0.0000   0.0000  463.835   69.101  ?   ?       ?      ? 
1 1 1    8   18    2 o  136.221   39.003   19.650   31.030   28.334   37.021  -0.8615   56.896  135.937   51.228  136.506   58.826 -0.5691833 78.00555 
1 1 1    8   18    3 o  323.354   58.041  225.085   69.480  215.895   83.666  245.507  124.721  316.777   69.583  329.932   92.915 -13.15515 116.0814 
1 1 1    8   18    4 o  479.624  104.366  531.219  189.790  531.219  189.790   0.0000   0.0000  479.624  104.366  ?   ?       ?      ? 
1 1 1    8   18    5 o  602.089   73.911  762.845  173.661  762.845  173.661   0.0000   0.0000  602.089   73.911  ?   ?       ?      ? 
1 1 1    8   18    6 o  181.316   50.858   20.819   55.446 -27.1198   70.710   97.352   89.345  138.488   62.326  224.145   80.385 -85.65657 101.7168 
1 1 1    8   18    7 o  881.472   99.605  1748.37  342.626  1748.37  342.626   0.0000   0.0000  881.472   99.605  ?   ?       ?      ? 
1 1 1    8   18    9 o  209.839   55.643   77.676   46.953   80.778   49.907   53.776  138.527  196.186   59.785  223.491   93.863 -27.30466 111.2859 
1 1 1    8   18   10 o  533.115  155.636  848.941  343.951   0.0000   0.0000  848.941  343.951  ?   ?   533.115  155.636      ?      ? 
1 1 1    8   18   11 o  235.719   65.866   74.125   48.154   68.306   49.522  175.111  206.298  182.452   60.048  288.987  117.250 -106.5356 131.7321 
1 1 1    8   18   12 o  332.522   70.088  254.557   79.812  248.833   86.295  288.420  209.885  335.278   68.275  329.767  122.426 5.510864 140.1766 
1 1 1    8   18   13 o  239.302   64.008  113.971   63.441  115.957   67.374   98.443  188.426  227.903   69.467  250.701  107.528 -22.79800 128.0153 
1 1 1    8   18   14 o  537.833   77.274  657.445  162.187  657.445  162.187   0.0000   0.0000  537.833   77.274  ?   ?       ?      ? 
1 1 1    8   18   15 o  200.725   58.127   69.717   62.080   78.251   67.878   26.062  153.520  193.532   69.983  207.917   92.831 -14.38441 116.2547 
1 1 1    8   18   17 o  215.693   59.070  105.174   75.165  144.942   85.699 -27.4119  156.480  242.322   78.956  189.064   87.881 53.25754 118.1404 
1 1 1    8   18   18 o  206.549   59.615   88.012   75.829  112.582   89.175   23.858  144.098  217.404   79.968  195.694   88.437 21.70972 119.2310 
1 1 1    8   18   19 o  164.218   52.900 -12.8082   72.435 -33.0440   92.193   19.834  117.092  147.354   68.130  181.081   80.945 -33.72672 105.8006 
1 1 1    8   18   20 o  218.199   64.310   98.577   98.715  174.408  126.017 -21.8592  158.813  249.780   94.423  186.618   87.334 63.16203 128.6194 
1 1 1    8   18   21 o  155.585   52.950 -99.6187   95.313 -49.1800  121.076 -181.8149  154.561  159.287   75.079  151.882   74.686 7.405533 105.9001 
1 1 1    8   18   22 o  174.622   57.058 -48.4227   99.569  107.882  136.734 -224.8714  145.278  210.883   91.035  138.361   68.810 72.52235 114.1154 
1 1 1    8   18   23 o  244.864   69.486  201.816  109.151  311.938  152.724   86.837  156.056  289.385  104.923  200.342   91.129 89.04207 138.9726 
1 1 1    8   18   24 o  143.477   48.138 -54.9667   75.764   15.226   99.535 -151.6625  116.824  158.407   72.334  128.548   63.536 29.85811 96.27592 
1 1 1    8   18   25 o  153.496   50.605  -3.3883   74.065   1.1729   99.631  -9.0228  110.735  152.422   70.597  154.570   72.523 -2.147202 101.2106 
1 1 1    8   18   26 o  144.231   47.014 -35.2090   67.908   62.997   89.817 -166.2643  103.757  171.771   73.967  116.691   58.053 55.07967 94.02810 
1 1 1    8   18   27 o  144.094   67.575 -13.9578   95.938 -13.9578   95.938   0.0000   0.0000  144.094   67.575  ?   ?       ?      ? 
1 1 1    8   18   28 o  239.490   85.546  198.572  101.089  198.572  101.089   0.0000   0.0000  239.490   85.546  ?   ?       ?      ? 
1 1 1    8   19    0 f  485.285   68.367  552.981  121.916  607.255  154.620  463.780  198.221  534.970   74.063  435.599  114.939 99.37082 136.7348 
1 1 1    8   19    1 o  661.916   82.634  948.308  213.449  948.308  213.449   0.0000   0.0000  661.916   82.634  ?   ?       ?      ? 
1 1 1    8   19    2 o  451.321   67.135  488.766  111.961  556.546  140.360  370.195  185.644  514.101   69.962  388.542  114.602 125.5594 134.2696 
1 1 1    8   19    3 o  484.293   72.405  497.189  136.838  497.189  136.838   0.0000   0.0000  484.293   72.405  ?   ?       ?      ? 
1 1 1    8   19    4 o  216.330   70.503   97.858   68.329   97.858   68.329   0.0000   0.0000  216.330   70.503  ?   ?       ?      ? 
1 1 1    8   19    5 o  451.544   69.826  431.940  123.041  431.940  123.041   0.0000   0.0000  451.544   69.826  ?   ?       ?      ? 
1 1 1    8   19    6 o  274.275   68.048  164.986   72.486  164.986   72.486   0.0000   0.0000  274.275   68.048  ?   ?       ?      ? 
1 1 1    8   19    7 o   33.215   16.594 -23.9967   8.8643 -23.9967   8.8643   0.0000   0.0000   33.215   16.594  ?   ?       ?      ? 
1 1 1    8   19    9 o  270.858   64.890  121.878   55.424  106.146   58.424  263.408  175.232  220.343   64.092  321.373  112.850 -101.0302 129.7798 
1 1 1    8   19   10 o  198.217   59.647   22.799   34.763   16.658   35.485  169.256  173.296  121.591   48.874  274.842  108.822 -153.2511 119.2932 
1 1 1    8   19   11 o  225.199   64.258   88.404   54.568   91.464   56.122   35.426  233.518  204.572   63.582  245.824  111.685 -41.25200 128.5156 
1 1 1    8   19   12 f  228.312   66.759   59.888   49.832   50.217   51.254  226.954  213.023  164.032   60.577  292.592  118.985 -128.5601 133.5185 
1 1 1    8   19   13 o  245.564   67.663  109.440   61.066  101.019   63.713  204.512  214.080  211.614   68.004  279.513  116.997 -67.89841 135.3252 
1 1 1    8   19   14 o  355.729   77.343  307.370   95.215  271.788  103.776  496.725  239.395  332.934   80.712  378.525  131.959 -45.59122 154.6855 
1 1 1    8   19   15 o  137.474   48.868 -68.6535   45.794 -68.2097   47.593 -74.1906  168.114   90.713   43.894  184.235   87.326 -93.52207 97.73701 
1 1 1    8   19   16 o  150.412   50.730 -38.1950   61.768 -26.2578   66.968 -106.2381  159.884  128.753   58.995  172.071   82.545 -43.31741 101.4601 
1 1 1    8   19   17 o  175.157   55.720   18.314   73.056   44.642   81.151 -94.2627  167.803  173.159   72.218  177.156   84.873 -3.996506 111.4405 
1 1 1    8   19   18 o  297.742   76.842  261.790  106.797  226.801  124.544  358.993  207.584  281.549   95.281  313.935  120.582 -32.38638 153.6833 
1 1 1    8   19   19 o  228.930   66.198  132.999  101.925  193.273  122.383  -3.4564  184.142  259.229   93.934  198.630   93.300 60.59816 132.3958 
1 1 1    8   19   20 o  287.292   69.502  264.080  122.488  442.777  156.506 -18.4136  196.778  378.917  103.096  195.667   93.238 183.2500 139.0045 
1 1 1    8   19   21 o  264.426   71.098  242.337  125.566  388.884  158.312  -6.2203  206.177  334.252  107.172  194.601   93.455 139.6507 142.1960 
1 1 1    8   19   22 o  156.737   52.221 -51.3264   89.993   48.505  109.979 -253.6283  156.558  176.258   78.643  137.215   68.727 39.04292 104.4419 
1 1 1    8   19   23 o  164.778   82.536 -209.9606  225.920 -209.9606  225.920   0.0000   0.0000  164.778   82.536  ?   ?       ?      ? 
1 1 1    8   19   24 o  172.731   85.906 -116.7195  226.483 -116.7195  226.483   0.0000   0.0000  172.731   85.906  ?   ?       ?      ? 
1 1 1    8   19   25 o  199.394   87.811  119.724  132.726  119.724  132.726   0.0000   0.0000  199.394   87.811  ?   ?       ?      ? 
1 1 1    8   19   26 o  175.396   81.341   50.253  132.881   50.253  132.881   0.0000   0.0000  175.396   81.341  ?   ?       ?      ? 
1 1 1    8   19   27 o  263.638   73.193  287.189  126.534   54.195  166.678  604.107  194.393  178.322   85.205  348.953  119.033 -170.6309 146.3855 
1 1 1    8   20    0 o  168.299   47.938   36.644   48.210   54.257   58.912   0.9361   83.883  174.578   64.851  162.020   70.615 12.55743 95.87588 
1 1 1    8   20    1 o  378.743   63.391  356.273   95.673  434.851  121.540  228.263  155.128  450.457   69.141  307.029  106.271 143.4271 126.7826 
1 1 1    8   20    2 o  205.439   53.519   83.186   58.526  115.352   66.279 -30.6796  124.703  229.439   68.669  181.439   82.107 48.00095 107.0380 
1 1 1    8   20    3 o  504.882   74.168  623.186  133.611  629.079  161.130  610.216  239.048  535.037   77.172  474.727  126.682 60.31100 148.3367 
1 1 1    8   20    4 o  335.582   71.732  268.031   97.028  246.108  117.493  315.043  172.057  321.725   90.034  349.439  111.694 -27.71359 143.4637 
1 1 1    8   20    5 o  172.021   52.241   30.699   40.496   33.522   42.294  -0.3933  140.359  144.110   54.648  199.933   89.051 -55.82343 104.4819 
1 1 1    8   20    6 o  389.028   71.164  391.604  103.117  410.965  117.629  327.336  214.311  434.884   69.312  343.173  124.312 91.71039 142.3288 
1 1 1    8   20    7 o  721.500   94.513  1241.80  266.108  1241.80  266.108   0.0000   0.0000  721.500   94.513  ?   ?       ?      ? 
1 1 1    8   20    8 o  169.191   54.656   25.727   39.439   32.754   40.073 -191.1009  222.598  140.715   53.234  197.667   95.474 -56.95203 109.3120 
1 1 1    8   20    9 f  318.631   69.000  244.799   79.771  237.165   87.352  283.135  195.758  321.420   71.489  315.842  118.040 5.578156 138.0006 
1 1 1    8   20   10 o  229.551   70.747   36.184   44.453   27.150   45.142  325.635  255.518  139.505   55.444  319.597  130.180 -180.0914 141.4949 
1 1 1    8   20   11 o  424.330   94.016  436.398  149.941  284.109  167.932  1035.09  332.966  313.319  110.436  535.340  152.185 -222.0213 188.0327 
1 1 1    8   20   12 o  235.648   69.218   98.693   65.664   92.394   68.061  183.455  249.657  202.855   70.381  268.441  119.210 -65.58662 138.4354 
1 1 1    8   20   13 o  187.634   60.761   31.804   56.666   33.846   58.440  -0.3185  231.745  153.616   62.378  221.651  104.290 -68.03442 121.5212 
1 1 1    8   20   14 o  312.305   79.879  192.539   82.493  151.719   86.717  581.173  267.570  245.783   79.373  378.827  138.645 -133.0434 159.7578 
1 1 1    8   20   15 o  325.434   89.610  284.526  117.413  284.526  117.413   0.0000   0.0000  325.434   89.610  ?   ?       ?      ? 
1 1 1    8   20   16 o  174.843   73.964   42.996   87.027   42.996   87.027   0.0000   0.0000  174.843   73.964  ?   ?       ?      ? 
1 1 1    8   20   17 o  394.199  104.372  463.988  163.086  463.988  163.086   0.0000   0.0000  394.199  104.372  ?   ?       ?      ? 
1 1 1    8   20   18 o  253.307  113.120  215.499  228.087  215.499  228.087   0.0000   0.0000  253.307  113.120  ?   ?       ?      ? 
1 1 1    8   20   19 o  180.476   88.698 -138.4583  217.040 -138.4583  217.040   0.0000   0.0000  180.476   88.698  ?   ?       ?      ? 
1 1 1    8   20   20 o  226.393  105.957  171.387  233.850  171.387  233.850   0.0000   0.0000  226.393  105.957  ?   ?       ?      ? 
1 1 1    8   20   21 o  189.931   82.584   85.490  114.160   85.490  114.160   0.0000   0.0000  189.931   82.584  ?   ?       ?      ? 
1 1 1    8   20   22 o  170.678   54.507   38.128   80.676   84.451   97.135 -64.8905  144.855  184.542   78.109  156.814   76.047 27.72719 109.0143 
1 1 1    8   20   23 o  150.369   50.048 -55.9798   84.830   60.189  104.147 -284.9770  146.224  174.613   77.295  126.125   63.600 48.48750 100.0969 
1 1 1    8   20   24 o  160.624   53.216 -30.8215   91.174   93.148  120.696 -195.5752  139.141  188.752   83.398  132.495   66.125 56.25702 106.4320 
1 1 1    8   20   25 o  152.760   51.306 -46.4536   86.195   70.775  121.408 -165.5979  122.396  178.685   80.924  126.836   63.092 51.84922 102.6124 
1 1 1    8   21    0 o  231.083   63.523   14.105   75.732  281.550  164.450 -57.8790   85.317  323.996  109.488  138.170   64.446 185.8256 127.0467 
1 1 1    8   21    1 o  175.433   49.299   44.757   53.921   83.429   60.563 -103.1259  118.430  197.560   66.445  153.307   72.848 44.25371 98.59892 
1 1 1    8   21    2 f  232.828   62.035  113.674   68.796  116.147   77.376  104.342  150.307  227.138   75.073  238.517   98.780 -11.37903 124.0709 
1 1 1    8   21    3 o  281.743   63.165  206.067   80.779  240.564   94.377  111.554  156.214  321.015   76.435  242.471  100.584 78.54370 126.3305 
1 1 1    8   21    4 o  170.474   50.930   38.070   47.683   52.589   50.685 -73.7028  140.631  165.837   60.396  175.110   82.023 -9.272888 101.8599 
1 1 1    8   21    5 o  446.585   76.794  483.629  115.002  435.369  129.948  657.960  246.982  429.782   80.437  463.388  130.841 -33.60550 153.5885 
1 1 1    8   21    6 o  394.759   77.384  374.144  102.753  333.850  113.505  557.097  241.863  374.107   80.160  415.412  132.391 -41.30499 154.7674 
1 1 1    8   21    7 o  240.729   72.062  112.004  105.701  106.557  121.390  129.088  214.968  226.176   90.578  255.283  112.104 -29.10768 144.1240 
1 1 1    8   21    8 f  209.522   66.470   41.214   48.756   35.827   49.722  175.871  248.589  149.608   58.584  269.437  119.336 -119.8293 132.9407 
1 1 1    8   21    9 o  241.082   66.213  101.404   60.702   85.118   64.110  242.493  188.696  196.138   68.293  286.027  113.458 -89.88878 132.4258 
1 1 1    8   21   10 o  268.140   79.438  121.590  100.692   70.365  108.410  443.402  271.727  200.661   83.562  335.620  135.126 -134.9582 158.8758 
1 1 1    8   21   11 o  224.506   70.767   85.474  104.529   90.093  113.629   60.057  266.571  210.508   86.399  238.503  112.102 -27.99423 141.5335 
1 1 1    8   21   12 o  212.725   69.143   42.204   95.368   28.643  102.632  127.958  258.089  177.718   77.765  247.732  114.348 -70.01424 138.2852 
1 1 1    8   21   13 o  215.187   70.057  -5.6943  105.905 -71.0990  118.404  255.969  236.827  154.872   73.373  275.502  119.368 -120.6301 140.1150 
1 1 1    8   21   14 o  241.401   74.596  147.322  129.466  162.230  152.357  108.586  245.584  244.298  100.130  238.505  110.599 5.792969 149.1916 
1 1 1    8   21   15 o  198.897   65.905   0.3545  120.106 -21.8427  145.908   47.005  211.524  180.464   84.209  217.331  101.405 -36.86737 131.8106 
1 1 1    8   21   16 o  183.672   61.731 -88.7608   83.092 -149.3474   91.243  205.625  201.127  115.233   56.803  252.111  109.618 -136.8790 123.4611 
1 1 1    8   21   17 o  207.267   64.292   90.187  103.717  139.458  119.503 -60.2310  208.800  224.508   89.885  190.025   91.948 34.48296 128.5836 
1 1 1    8   21   18 o  170.993   57.309 -10.4723   91.208  -2.4414  104.314 -36.5431  187.948  158.758   73.069  183.229   88.307 -24.47153 114.6174 
1 1 1    8   21   19 f  186.683   59.340   63.318   92.784  103.910  111.653 -27.2739  166.798  198.653   83.893  174.712   83.945 23.94098 118.6793 
1 1 1    8   21   20 o  143.857   48.858 -47.1241   74.167 -34.1565   87.828 -79.3541  138.464  135.541   63.904  152.172   73.923 -16.63081 97.71585 
1 1 1    8   21   21 o  181.904   57.797   68.701   85.953   92.677  104.283   17.902  151.791  188.552   80.409  175.256   83.043 13.29652 115.5932 
1 1 1    8   21   22 o  167.033   54.445   21.990   85.643   73.425  105.916 -75.1543  145.561  179.907   78.854  154.160   75.093 25.74698 108.8894 
1 1 1    8   21   23 o  175.052   56.345   47.133   89.465  108.154  112.718 -56.7514  147.071  193.303   83.045  156.800   76.175 36.50293 112.6904 
1 1 1    8   21   24 o  139.178   47.951 -91.0882   86.172 -17.9262  114.554 -186.4491  130.784  150.500   71.553  127.856   63.856 22.64471 95.90299 
1 1 1    8   22    0 o  309.526   70.743  267.880  108.437  377.012  145.325  130.797  162.876  375.656   98.077  243.395  101.978 132.2608 141.4865 
1 1 1    8   22    1 o  144.808   45.901 -12.3966   54.144   36.126   57.715 -368.4785  156.349  155.639   62.412  133.976   67.323 21.66266 91.80239 
1 1 1    8   22    2 o  266.187   58.650  183.199   91.579  306.638  108.744 -117.8797  169.831  354.296   80.483  178.078   85.334 176.2182 117.3002 
1 1 1    8   22    3 o  289.819   73.122  231.970  101.148  225.527  122.735  245.610  178.573  290.516   94.481  289.121  111.628 1.394775 146.2441 
1 1 1    8   22    4 o  288.430   69.592  225.948   88.009  229.408   98.745  212.585  194.082  303.041   81.657  273.819  112.712 29.22281 139.1832 
1 1 1    8   22    5 o  261.211   66.405  179.365   79.526  189.583   86.382  122.558  203.682  277.782   77.009  244.640  108.203 33.14261 132.8096 
1 1 1    8   22    6 o  315.713   77.123  209.571   82.710  170.542   88.023  503.864  241.708  261.314   79.346  370.112  132.272 -108.7982 154.2454 
1 1 1    8   22    7 o  253.212   76.653  145.215  114.983  117.446  128.993  252.628  253.695  226.987   92.480  279.438  122.270 -52.45145 153.3051 
1 1 1    8   22    8 o  146.532   52.723 -17.9123   37.133 -13.0955   37.509 -254.5186  262.885  100.427   45.277  192.637   95.231 -92.21000 105.4464 
1 1 1    8   22    9 o  170.507   56.819  -4.5287   40.276 -10.7430   41.294  116.965  182.584  106.925   47.913  234.089  103.044 -127.1640 113.6382 
1 1 1    8   22   10 o  315.463   73.518  300.111   97.495  300.660  105.799  297.018  251.044  345.315   80.069  285.610  123.323 59.70468 147.0360 
1 1 1    8   22   11 o  192.449   59.471 -29.3665   45.436 -52.1326   47.127  271.005  171.180   95.207   45.440  289.692  109.920 -194.4857 118.9419 
1 1 1    8   22   12 o  254.413   71.630  140.444  105.242   39.900  128.329  346.952  183.915  191.657   85.272  317.170  115.118 -125.5134 143.2604 
1 1 1    8   22   13 o  200.972   62.893   65.915   88.325   77.152   99.263   23.189  193.557  195.185   80.506  206.758   96.649 -11.57277 125.7870 
1 1 1    8   22   14 o  159.470   55.104 -51.9191   76.432 -38.2779   81.216 -157.5818  226.036  134.749   62.860  184.190   90.522 -49.44127 110.2070 
1 1 1    8   22   15 o  177.987   61.372 -45.8111   84.273 -68.9910   90.234  112.432  235.764  131.638   62.841  224.337  105.438 -92.69925 122.7442 
1 1 1    8   22   16 o  158.903   55.583 -95.3984   81.671 -123.7481   89.484   46.015  199.857  116.829   57.323  200.977   95.248 -84.14770 111.1668 
1 1 1    8   22   17 o  143.073   50.042 -116.9206   70.729 -156.9366   79.501   34.985  154.896  101.201   50.423  184.945   86.455 -83.74371 100.0845 
1 1 1    8   22   18 o  149.322   50.640 -33.7823   71.275 -39.2342   81.220 -15.5187  148.656  129.566   61.199  169.079   80.698 -39.51265 101.2795 
1 1 1    8   22   19 o  178.417   57.502   53.778   89.343   86.577  106.678 -23.2699  163.503  186.420   80.442  170.414   82.189 16.00621 115.0047 
1 1 1    8   22   20 o  191.835   61.512   85.174   93.904   56.145  114.419  145.071  164.355  175.657   79.146  208.014   94.186 -32.35699 123.0249 
1 1 1    8   22   21 o  177.204   55.136   49.671   85.574  136.723  102.116 -155.6472  156.826  208.648   83.243  145.761   72.321 62.88730 110.2713 
1 1 1    8   22   22 o  138.876   47.074 -70.2496   78.357   17.191   96.822 -236.2203  133.393  154.129   70.738  123.623   62.129 30.50660 94.14824 
1 1 1    8   22   23 o  302.346   74.590  295.891  138.644  935.786  230.602 -66.3564  173.505  444.804  126.720  159.888   78.720 284.9160 149.1805 
1 1 1    8   23    0 o  270.931   77.047  181.904  131.588  383.852  203.161   35.953  172.712  332.463  120.942  209.400   95.489 123.0631 154.0943 
1 1 1    8   23    1 o  300.707   63.539  279.673  105.884  399.140  124.679 -29.4078  200.543  397.682   83.020  203.732   96.210 193.9507 127.0777 
1 1 1    8   23    2 o  330.180   77.621  314.645  107.927  276.111  126.142  419.920  208.497  315.052   94.834  345.308  122.908 -30.25656 155.2414 
1 1 1    8   23    3 o  322.263   79.128  348.129  130.452  410.984  164.697  242.304  213.704  369.860  107.618  274.665  116.033 95.19534 158.2566 
1 1 1    8   23    4 o  314.361   86.360  351.954  150.225  322.623  195.862  393.865  234.123  307.170  117.331  321.552  126.749 -14.38263 172.7194 
1 1 1    8   23    5 o  185.565   60.695   18.647   57.674   13.169   59.957   86.492  211.019  140.860   60.542  230.270  105.216 -89.40984 121.3910 
1 1 1    8   23    6 o  199.368   95.595 -69.4448  213.863   0.0000   0.0000 -69.4448  213.863  ?   ?   199.368   95.595      ?      ? 
1 1 1    8   23    7 o  275.198  118.468  259.248  230.254   0.0000   0.0000  259.248  230.254  ?   ?   275.198  118.468      ?      ? 
1 1 1    8   23    8 o  260.305   66.563  196.208  102.553  284.609  124.705   11.523  180.248  317.802   93.982  202.807   94.286 114.9955 133.1257 
1 1 1    8   23    9 o  206.351   91.498   66.740  146.538   0.0000   0.0000   66.740  146.538  ?   ?   206.351   91.498      ?      ? 
1 1 1    8   23   10 o  175.590   52.891   40.026   67.210   83.266   79.663 -66.7656  125.193  193.157   74.563  158.024   75.034 35.13287 105.7816 
1 1 1    8   23   11 o  262.512   66.931  204.161   98.679  302.801  131.728   78.026  148.960  317.793   97.187  207.230   92.052 110.5629 133.8615 
1 1 1    8   23   12 o  202.863   61.862   84.462   86.517   67.686  109.059  112.943  142.102  190.424   81.744  215.301   92.874 -24.87724 123.7240 
1 1 1    8   23   13 o  244.680   72.347  198.997  126.783  298.619  164.635   53.831  198.737  284.355  107.822  205.005   96.494 79.35083 144.6949 
1 1 1    8   23   14 o  302.441   85.069  454.029  168.012  593.797  222.545  268.788  256.203  360.967  127.142  243.914  113.056 117.0538 170.1374 
1 1 1    8   23   15 o  164.626   55.241 -15.4097   86.458 -29.0768  102.440   18.431  161.195  147.225   69.292  182.026   86.051 -34.80067 110.4811 
1 1 1    8   23   16 o  192.348   60.458   88.890   89.543   76.621  115.509  107.366  141.747  185.356   81.758  199.341   89.087 -13.98524 120.9165 
1 1 1    8   23   17 o  160.532   52.343  -6.8493   82.249   80.044  106.735 -133.8828  129.054  183.699   79.863  137.366   67.682 46.33279 104.6853 
1 1 1    8   23   18 o  111.357   39.778 -219.3993   73.130 -229.2343   90.311 -200.6686  124.632   98.040   49.504  124.673   62.277 -26.63367 79.55535 
1 1 1    8   23   19 o  160.394   53.657  -2.8406   81.183 -16.1566   96.606   29.166  149.774  144.772   67.867  176.016   83.129 -31.24399 107.3138 
1 1 1    8   23   20 o  148.881   50.020 -14.7541   71.570 -10.6879   83.326 -26.1921  139.754  138.094   64.169  159.667   76.748 -21.57288 100.0397 
1 1 1    8   23   21 o  225.980   66.401  207.014   97.144  211.187  119.164  198.745  167.735  236.774   91.252  215.186   96.485 21.58772 132.8018 
1 1 1    8   24    0 o  187.352   58.502   46.832   74.296   63.135   81.764 -30.3818  177.939  182.532   73.900  192.172   90.713 -9.639908 117.0044 
1 1 1    8   24    1 o  171.863   54.741   22.556   65.016   35.077   71.094 -41.4291  160.713  160.847   67.382  182.880   86.291 -22.03320 109.4825 
1 1 1    8   24    2 o  206.544   57.583   91.125   80.182  157.006   90.164 -157.9742  175.321  245.433   81.036  167.654   81.830 77.77963 115.1650 
1 1 1    8   24    3 o  203.509   60.662   82.783   83.174  118.435   93.735 -49.2242  180.367  218.358   81.666  188.661   89.722 29.69650 121.3234 
1 1 1    8   24    4 o  199.775   59.841   78.842   69.552   90.718   74.783   2.7468  189.299  197.739   73.143  201.812   94.732 -4.073059 119.6830 
1 1 1    8   24    5 o  237.707   68.194  144.726   84.400  142.438   91.380  158.009  220.185  233.421   81.519  241.994  109.344 -8.572479 136.3872 
1 1 1    8   24    6 o  190.035   59.401   54.490   72.530   62.204   78.835   11.969  185.093  179.312   72.576  200.758   94.057 -21.44551 118.8018 
1 1 1    8   24    7 o  260.876   74.180  222.362  116.740  255.941  162.304  186.371  168.034  275.675  106.425  246.078  103.365 29.59711 148.3600 
1 1 1    8   24    8 o  231.430   59.802  152.467   78.180  198.127   92.482   38.128  146.347  270.283   81.166  192.577   87.849 77.70538 119.6047 
1 1 1    8   24    9 o  145.524   48.218 -11.7453   53.460  -5.1683   58.288 -46.5899  134.162  126.877   56.884  164.171   77.872 -37.29356 96.43601 
1 1 1    8   24   10 o  175.779   55.550   25.342   61.537   3.6431   68.338  118.373  141.499  138.872   61.975  212.687   92.209 -73.81422 111.1009 
1 1 1    8   24   11 o  227.987   64.172  154.290   80.333  146.890   92.820  176.377  160.356  226.289   81.835  229.686   98.870 -3.397247 128.3444 
1 1 1    8   24   12 o  164.154   53.679   12.384   67.789   2.5275   76.524   48.318  146.109  142.253   64.352  186.056   85.934 -43.80307 107.3586 
1 1 1    8   24   13 o  235.527   72.277  196.506  127.823   59.621  171.707  366.654  191.435  191.570   90.020  279.485  113.104 -87.91522 144.5546 
1 1 1    8   24   14 o  185.535   58.344   76.706   85.597  103.662  101.373   9.7471  159.770  194.479   80.880  176.590   84.111 17.88962 116.6886 
1 1 1    8   24   15 o  228.940   71.999  221.702  129.566  189.192  181.599  255.409  184.914  219.756   99.298  238.124  104.285 -18.36830 143.9983 
1 1 1    8   24   16 f  156.990   51.275   9.3106   74.105   46.206   87.034 -87.9386  141.302  163.574   71.593  150.407   73.423 13.16722 102.5501 
1 1 1    8   24   17 o  150.691   50.263 -10.9084   73.622   8.7796   86.849 -61.1859  138.788  147.770   67.512  153.613   74.481 -5.843323 100.5253 
1 1 1    8   24   18 o  185.700   57.504   85.626   86.506  140.177  103.286 -42.5588  158.329  208.790   83.574  162.610   79.006 46.17995 115.0073 
1 1 1    8   24   19 o  174.136   56.886   38.908   81.891  -6.1546   97.734  145.096  150.029  146.197   68.447  202.074   90.878 -55.87785 113.7713 
1 1 1    8   25    0 o  241.768   88.265  168.929  108.348  168.929  108.348   0.0000   0.0000  241.768   88.265  ?   ?       ?      ? 
1 1 1    8   25    1 o  182.045   75.153   66.755   86.604   66.755   86.604   0.0000   0.0000  182.045   75.153  ?   ?       ?      ? 
1 1 1    8   25    2 o  227.069  102.968  141.689  197.281  141.689  197.281   0.0000   0.0000  227.069  102.968  ?   ?       ?      ? 
1 1 1    8   25    3 o  283.805   90.512  240.155  113.033  240.155  113.033   0.0000   0.0000  283.805   90.512  ?   ?       ?      ? 
1 1 1    8   25    4 o  158.918   67.549   36.572   73.154   36.572   73.154   0.0000   0.0000  158.918   67.549  ?   ?       ?      ? 
1 1 1    8   25    5 o  348.902   95.010  371.161  132.851  371.161  132.851   0.0000   0.0000  348.902   95.010  ?   ?       ?      ? 
1 1 1    8   25    6 o  248.028   85.759  182.995  101.012  182.995  101.012   0.0000   0.0000  248.028   85.759  ?   ?       ?      ? 
1 1 1    8   25    7 o  168.052   79.006 -10.4405  132.529 -10.4405  132.529   0.0000   0.0000  168.052   79.006  ?   ?       ?      ? 
1 1 1    8   25    8 o   89.677   43.550 -65.5206   47.951 -65.5206   47.951   0.0000   0.0000   89.677   43.550  ?   ?       ?      ? 
1 1 1    8   25    9 o  251.799   87.793  201.451  105.965  201.451  105.965   0.0000   0.0000  251.799   87.793  ?   ?       ?      ? 
1 1 1    8   25   10 o  204.450   62.267  114.217   79.126  108.212   87.265  141.980  187.631  197.958   77.586  210.943   97.413 -12.98499 124.5343 
1 1 1    8   25   11 o  173.613   55.283   51.796   74.953   74.389   82.900 -49.3928  175.445  177.309   73.390  169.917   82.697 7.392380 110.5663 
1 1 1    8   25   12 o  190.227   58.348   93.822   83.844  129.339   94.476 -37.8714  181.921  207.767   80.921  172.688   84.082 35.07935 116.6960 
1 1 1    8   25   13 o  201.909   62.105  124.781   93.195  149.767  106.596   43.729  191.990  216.008   85.404  187.810   90.191 28.19818 124.2107 
1 1 1    8   25   14 o  228.842   64.565  187.690  111.136  306.983  132.580 -94.2357  203.815  288.365   98.303  169.319   83.732 119.0467 129.1298 
1 1 1    8   25   15 o  235.817   70.687  230.883  109.678  217.100  128.396  268.090  210.951  240.440   94.145  231.194  105.467 9.246078 141.3741 
1 1 1    8   25   16 o  249.316   80.092  384.420  168.509  519.304  255.230  280.191  224.360  270.707  120.359  227.925  105.699 42.78169 160.1832 
1 1 1    8   25   17 o  176.548   58.932   50.594  104.873   56.255  132.727   41.186  171.102  174.964   81.195  178.131   85.436 -3.166214 117.8644 
1 1 1    8   26    0 o  172.982   56.206   25.686   73.233   4.8024   83.367   96.255  153.250  146.871   66.729  199.092   90.462 -52.22150 112.4110 
1 1 1    8   26    1 o  243.380   68.316  196.047   89.318  168.313  103.984  274.091  174.434  231.958   86.160  254.801  106.042 -22.84282 136.6326 
1 1 1    8   26    2 o  193.774   59.118   93.342   78.064   90.921   93.689   98.841  141.180  189.418   78.179  198.129   88.701 -8.710754 118.2363 
1 1 1    8   26    3 o  156.207   49.929   19.657   63.939   42.313   75.607 -37.2247  119.801  159.144   68.182  153.270   72.957 5.873947 99.85751 
1 1 1    8   26    4 o  187.665   56.001   87.584   72.127  114.251   83.862   11.794  141.377  202.259   76.891  173.070   81.439 29.18968 112.0024 
1 1 1    8   26    5 o  182.534   53.182   72.969   72.483  136.457   82.867 -133.8003  149.548  217.122   77.464  147.946   72.888 69.17619 106.3642 
1 1 1    8   26    6 o  221.619   56.526  146.468   87.019  258.617  101.733 -159.3075  167.984  291.747   84.492  151.491   75.111 140.2551 113.0513 
1 1 1    8   26    7 o  180.083   59.120  -2.7300  101.682 -138.5476  134.366  179.281  155.547  139.425   68.767  220.742   96.185 -81.31770 118.2392 
1 1 1    8   26    8 o  192.344   56.710   99.580   80.997  151.542   89.404 -138.3951  191.328  223.350   80.379  161.338   80.022 62.01251 113.4207 
1 1 1    8   26    9 o  247.040   77.380  304.546  143.888  265.726  176.444  381.615  248.610  243.385  104.213  250.695  114.414 -7.309525 154.7607 
1 1 1    8   26   10 o  196.193   78.377  109.565   90.643  109.565   90.643   0.0000   0.0000  196.193   78.377  ?   ?       ?      ? 
1 1 1    8   26   11 o  191.649   62.719   68.738   79.503   47.064   85.002  220.166  224.679  162.850   71.028  220.448  103.392 -57.59761 125.4385 
1 1 1    8   26   12 o  230.712   65.710  215.124  108.754  273.819  122.460  -3.9379  236.580  276.155   94.476  185.270   91.354 90.88490 131.4196 
1 1 1    8   26   13 o  206.141   63.218  146.970  107.101  206.420  120.284 -80.5293  235.298  237.224   91.608  175.059   87.144 62.16556 126.4364 
1 1 1    8   26   14 o  175.598   58.665   46.922   99.555   70.900  109.980 -61.8753  234.265  176.207   78.630  174.988   87.083 1.219238 117.3293 
1 1 1    8   26   15 o  215.986   73.604  277.607  185.467  163.086  260.902  394.596  263.698  199.535   97.899  232.437  109.937 -32.90155 147.2081 
1 1 1    8   27    0 o  219.909   65.513  166.089   91.857  155.986  108.253  192.072  173.602  218.951   86.225  220.866   98.657 -1.915604 131.0263 
1 1 1    8   27    1 o  266.315   67.313  283.706  108.772  388.264  135.859   97.020  181.538  335.668   97.764  196.963   92.556 138.7054 134.6267 
1 1 1    8   27    2 o  223.930   66.757  183.620  104.458  244.118  139.917  107.441  157.006  250.266   98.196  197.594   90.462 52.67216 133.5137 
1 1 1    8   27    3 o  302.201   70.148  387.106  118.065  496.609  147.718  193.433  196.451  385.889   97.930  218.513  100.462 167.3758 140.2954 
1 1 1    8   27    4 o  243.447   62.480  214.292  101.554  331.831  122.459 -44.5537  181.728  315.948   93.046  170.946   83.409 145.0012 124.9591 
1 1 1    8   27    5 o  208.954   61.652  142.940   94.218  197.021  109.376 -12.6336  185.510  241.229   88.589  176.679   85.767 64.55046 123.3049 
1 1 1    8   27    6 o  272.427   68.853  325.270  117.630  411.190  138.786  106.111  221.655  344.546   98.359  200.308   96.376 144.2388 137.7057 
1 1 1    8   27    7 o  191.196   63.853   68.963  117.486   19.917  144.523  164.531  201.738  172.392   81.491  210.000   98.326 -37.60789 127.7056 
1 1 1    8   27    8 o  170.465   56.164   40.335   79.090   58.485   84.278 -93.5903  228.935  167.318   71.843  173.612   86.348 -6.294098 112.3271 
1 1 1    8   27    9 o  229.391   86.542  178.654  105.722  178.654  105.722   0.0000   0.0000  229.391   86.542  ?   ?       ?      ? 
1 1 1    8   27   10 o  182.640   86.314   61.603  161.963   61.603  161.963   0.0000   0.0000  182.640   86.314  ?   ?       ?      ? 
1 1 1    8   27   12 o  222.997  105.329  311.872  240.586  311.872  240.586   0.0000   0.0000  222.997  105.329  ?   ?       ?      ? 
1 1 1    8   28    0 o  191.654   59.564   96.593   93.352  170.391  119.754 -17.7115  149.040  219.197   89.184  164.112   78.978 55.08542 119.1270 
1 1 1    8   28    1 o  157.576   52.257  -3.6121   84.410   52.606  102.625 -121.1880  148.414  169.022   75.651  146.131   72.111 22.89087 104.5134 
1 1 1    8   28    2 o  243.888   73.325  244.522  139.279  509.162  200.037  -4.4902  194.041  311.073  118.634  176.702   86.211 134.3716 146.6509 
1 1 1    8   28    3 o  223.891   73.317  248.410  153.739  347.241  218.709  151.874  216.153  244.191  109.781  203.591   97.209 40.59970 146.6340 
1 1 1    8   28    4 o  205.772   68.861  165.619  145.940  151.555  193.556  184.149  222.171  203.236   95.525  208.308   99.209 -5.071960 137.7229 
1 1 1    8   28    5 o  211.850   67.409  157.501  100.538  130.884  110.493  285.579  242.375  200.847   84.060  222.854  105.402 -22.00746 134.8174 
1 1 1    8   28    6 o  162.242   55.809 -37.1614  114.237   32.919  131.342 -254.8855  231.504  168.546   79.050  155.938   78.801 12.60797 111.6174 
1 1 1    8   28    7 o  231.746   77.030   87.907  122.038 -68.4973  133.101  913.160  305.739  146.532   71.472  316.960  136.479 -170.4282 154.0606 
1 1 1    9    0    0 o  368.061   24.403  272.741   48.567  272.741   48.567  272.741   48.567  368.061   34.511  368.061   34.511 0.000000 0.000000 
1 1 1    9    0    1 o  1372.75   32.043  3726.81  242.159  3726.81  242.159  3726.81  242.159  1372.75   45.316  1372.75   45.316 -0.000000 0.000000 
1 1 1    9    0    2 o  796.431   22.091  1249.61   96.760  1249.61   96.760  1249.61   96.760  796.431   31.242  796.431   31.242 -0.000000 0.000000 
1 1 1    9    0    3 o  477.464   25.552  455.520   66.445  455.520   66.445  455.520   66.445  477.464   36.137  477.464   36.137 -0.000000 0.000000 
1 1 1    9    0    4 o  1113.81   27.354  2450.38  167.685  2450.38  167.685  2450.38  167.685  1113.81   38.685  1113.81   38.685 -0.000000 0.000000 
1 1 1    9    0    5 o  900.272   23.759  1599.52  117.672  1599.52  117.672  1599.52  117.672  900.272   33.600  900.272   33.600 -0.000000 0.000000 
1 1 1    9    0    6 o  165.039   26.550   61.116   21.077   61.116   21.077   61.116   21.077  165.039   37.547  165.039   37.547 -0.000000 0.000000 
1 1 1    9    0    7 o  690.130   27.134  948.969  102.616  948.969  102.616  948.969  102.616  690.130   38.374  690.130   38.374 -0.000000 0.000000 
1 1 1    9    0    8 o  341.432   77.017  306.024  127.857  306.024  127.857  306.024  127.857  341.432  108.919  341.432  108.919 -0.000000 0.000000 
1 1 1    9    0    9 o  754.166   30.772  1139.81  127.101  1139.81  127.101  1139.81  127.101  754.166   43.518  754.166   43.518 0.000000 0.000000 
1 1 1    9    0   10 o  501.964   18.170  498.300   50.035  498.300   50.035  498.300   50.035  501.964   25.696  501.964   25.696 -0.000000 0.000000 
1 1 1    9    0   11 o  991.368   34.680  1967.10  188.683  1967.10  188.683  1967.10  188.683  991.368   49.045  991.368   49.045 -0.000000 0.000000 
1 1 1    9    0   12 o  956.443   33.435  1824.71  175.503  1824.71  175.503  1824.71  175.503  956.443   47.285  956.443   47.285 -0.000000 0.000000 
1 1 1    9    0   13 o  492.092   25.696  483.882   68.910  483.882   68.910  483.882   68.910  492.092   36.340  492.092   36.340 0.000000 0.000000 
1 1 1    9    0   15 o  967.596   35.496  1865.13  188.384  1865.13  188.384  1865.13  188.384  967.596   50.199  967.596   50.199 0.000000 0.000000 
1 1 1    9    0   16 o  267.509   23.832  146.874   33.667  146.874   33.667  146.874   33.667  267.509   33.703  267.509   33.703 0.000000 0.000000 
1 1 1    9    0   17 o  1066.54   37.930  2268.02  221.971  2268.02  221.971  2268.02  221.971  1066.54   53.642  1066.54   53.642 0.000000 0.000000 
1 1 1    9    0   18 o  1187.67   28.832  2785.88  188.473  2785.88  188.473  2785.88  188.473  1187.67   40.774  1187.67   40.774 -0.000000 0.000000 
1 1 1    9    0   19 o  1061.36   26.715  2223.86  156.030  2223.86  156.030  2223.86  156.030  1061.36   37.780  1061.36   37.780 -0.000000 0.000000 
1 1 1    9    0   21 o  1684.62   38.391  5656.44  356.087  5656.44  356.087  5656.44  356.087  1684.62   54.293  1684.62   54.293 -0.000000 0.000000 
1 1 1    9    0   22 o  358.517   20.562  257.080   40.068  257.080   40.068  257.080   40.068  358.517   29.079  358.517   29.079 -0.000000 0.000000 
1 1 1    9    0   23 o  306.792   21.889  190.442   36.196  190.442   36.196  190.442   36.196  306.792   30.955  306.792   30.955 0.000000 0.000000 
1 1 1    9    0   24 o  418.644   43.345  373.176   93.863  373.176   93.863  373.176   93.863  418.644   61.299  418.644   61.299 -0.000000 0.000000 
1 1 1    9    0   27 o   27.971   13.714  -6.2423   7.3474  -6.2423   7.3474  -6.2423   7.3474   27.971   19.395   27.971   19.395 -0.000000 0.000000 
1 1 1    9    0   28 o  156.877   29.101   58.013   21.769   58.013   21.769   58.013   21.769  156.877   41.155  156.877   41.155 0.000000 0.000000 
1 1 1    9    0   29 o  265.559   23.606  146.850   33.112  146.850   33.112  146.850   33.112  265.559   33.384  265.559   33.384 0.000000 0.000000 
1 1 1    9    0   30 o  122.684   32.202   40.552   20.256   40.552   20.256   40.552   20.256  122.684   45.540  122.684   45.540 0.000000 0.000000 
1 1 1    9    0   32 o  214.197   73.939  172.498  103.153  172.498  103.153  172.498  103.153  214.197  104.566  214.197  104.566 -0.000000 0.000000 
1 1 1    9    0   34 f  148.394   33.282   56.737   23.984   56.737   23.984   56.737   23.984  148.394   47.068  148.394   47.068 -0.000000 0.000000 
1 1 1    9    0   35 o  314.784   22.881  206.525   38.788  206.525   38.788  206.525   38.788  314.784   32.359  314.784   32.359 0.000000 0.000000 
1 1 1    9    1    0 o  612.855   27.556  743.153   65.860  774.747   95.199  714.151   91.209  625.321   39.012  600.388   38.929 24.93317 55.11266 
1 1 1    9    1    1 o  613.143   19.514  738.384   46.655  779.810   67.211  699.860   64.814  629.762   27.348  596.523   27.843 33.23926 39.02767 
1 1 1    9    1    2 o  808.184   22.225  1286.83   70.064  1318.60  100.907  1257.25   97.358  817.758   31.620  798.609   31.240 19.14905 44.44949 
1 1 1    9    1    3 o  928.126   34.535  1719.67  124.794  1810.82  184.279  1642.45  169.604  950.343   49.689  905.909   47.975 44.43384 69.07005 
1 1 1    9    1    4 o  462.851   19.854  403.688   33.822  370.635   40.767  476.684   60.583  434.343   24.052  491.360   31.595 -57.01740 39.70810 
1 1 1    9    1    5 o  830.204   26.618  1392.10   84.753  1558.97  114.809  1192.26  125.640  887.475   33.150  772.933   41.654 114.5418 53.23501 
1 1 1    9    1    6 o  139.889   28.338   39.998   14.940   0.0000   0.0000   39.998   14.940  ?   ?   139.889   28.338      ?      ? 
1 1 1    9    1    7 o  646.775   65.924  964.244   76.461  969.712   79.281  891.445  289.258  700.106   29.018  593.444  128.616 106.6627 131.8488 
1 1 1    9    1    8 o  283.065   32.169  194.169   28.157  110.761   53.036  226.905   33.226  227.033   59.237  339.097   25.109 -112.0645 64.33830 
1 1 1    9    1    9 o  441.581   61.836  425.271  103.908  619.483  161.049  286.767  136.003  535.042   77.133  348.120   96.671 186.9220 123.6721 
1 1 1    9    1   12 o  267.096   28.499  140.717   29.705  140.717   29.705   0.0000   0.0000  267.096   28.499  ?   ?       ?      ? 
1 1 1    9    1   14 o  710.782   29.494  999.780   81.584  936.558  110.517  1075.49  120.943  686.356   41.262  735.207   42.154 -48.85114 58.98709 
1 1 1    9    1   15 o  395.102   20.475  302.110   29.936  291.616   36.604  323.306   52.023  385.413   24.337  404.790   32.933 -19.37634 40.94986 
1 1 1    9    1   16 o  244.121   19.744  116.517   18.292  114.367   23.201  120.047   29.735  241.372   24.631  246.870   30.865 -5.497452 39.48885 
1 1 1    9    1   17 o  649.269   24.484  831.277   58.864  828.734   72.565  836.170  100.657  649.039   28.650  649.499   39.713 -0.4595337 48.96896 
1 1 1    9    1   18 o  868.064   28.951  1452.00   90.337  1386.42  107.371  1610.90  167.141  838.198   32.825  897.930   47.699 -59.73285 57.90238 
1 1 1    9    1   19 o  558.847   37.394  618.981   81.551   0.0000   0.0000  618.981   81.551  ?   ?   558.847   37.394      ?      ? 
1 1 1    9    1   20 o  795.412   44.412  1263.60  137.856   0.0000   0.0000  1263.60  137.856  ?   ?   795.412   44.412      ?      ? 
1 1 1    9    1   21 o  540.466   27.154  572.250   49.847  563.826   57.561  597.512   99.682  535.006   27.570  545.926   46.790 -10.91968 54.30808 
1 1 1    9    1   22 o  215.621   21.016   91.568   17.616   80.963   24.320  103.274   25.551  202.425   30.787  228.816   28.615 -26.39098 42.03186 
1 1 1    9    1   23 o  328.719   20.497  212.074   26.155  200.659   34.901  226.697   39.502  318.824   28.051  338.614   29.894 -19.78949 40.99381 
1 1 1    9    1   24 o  868.072   35.188  1502.42  119.200   0.0000   0.0000  1502.42  119.200  ?   ?   868.072   35.188      ?      ? 
1 1 1    9    1   25 o  1162.79   41.250  2734.74  187.180  2734.74  187.180   0.0000   0.0000  1162.79   41.250  ?   ?       ?      ? 
1 1 1    9    1   26 o  439.250   31.608  386.380   54.181   0.0000   0.0000  386.380   54.181  ?   ?   439.250   31.608      ?      ? 
1 1 1    9    1   27 o  389.057   49.035  401.045   48.316  426.013   52.473  261.931  123.859  461.017   29.167  317.097   93.631 143.9209 98.06903 
1 1 1    9    1   28 o  193.102   25.754   79.308   18.693   54.209   26.451  104.351   26.421  158.671   42.044  227.533   29.756 -68.86218 51.50821 
1 1 1    9    1   29 o  260.426   21.898  137.393   22.243  143.684   31.888  131.432   31.041  266.318   30.683  254.535   31.250 11.78296 43.79523 
1 1 1    9    1   30 o  359.366   46.450  377.343   48.763  430.132   54.984  182.860  105.537  460.149   30.620  258.583   87.709 201.5655 92.89986 
1 1 1    9    1   31 o  331.332   23.193  225.754   29.984  220.680   42.176  230.939   42.634  327.461   33.005  335.203   32.593 -7.741119 46.38518 
1 1 1    9    1   32 o  146.812   39.179   40.216   18.777   17.753   87.797   41.293   19.221  155.834   69.844  137.789   35.521 18.04471 78.35763 
1 1 1    9    1   34 o  276.998   23.691  161.268   25.588  166.441   37.102  156.575   35.338  281.032   33.830  272.964   33.174 8.067841 47.38155 
1 1 1    9    1   35 o  273.846   23.328  158.156   24.913  164.540   35.257  151.791   35.208  279.796   32.290  267.896   33.678 11.89948 46.65692 
1 1 1    9    2    0 o  1188.47   36.021  2765.73  152.477  2997.28  284.855  2672.73  180.516  1216.32   60.013  1160.61   39.856 55.70935 72.04185 
1 1 1    9    2    1 o  780.088   26.845  1207.89   77.051  1212.23   94.540  1199.29  132.977  784.193   30.893  775.982   43.913 8.209961 53.69096 
1 1 1    9    2    2 o  382.983   18.618  295.665   26.769  319.784   34.387  258.573   42.645  403.765   21.824  362.202   30.171 41.56317 37.23648 
1 1 1    9    2    3 o  1228.02   35.884  3030.17  170.123  3630.42  246.256  2482.15  235.299  1347.00   46.848  1109.03   54.368 237.9757 71.76766 
1 1 1    9    2    4 o  370.946   19.256  270.130   26.840  267.786   33.624  274.246   44.558  369.193   23.338  372.699   30.636 -3.506653 38.51269 
1 1 1    9    2    5 o  343.790   21.146  232.509   28.255  263.937   41.307  204.873   38.735  365.666   28.947  321.914   30.834 43.75131 42.29265 
1 1 1    9    2    6 o  250.458   27.819  123.871   27.190   0.0000   0.0000  123.871   27.190  ?   ?   250.458   27.819      ?      ? 
1 1 1    9    2    7 o  167.588   27.703   69.203   16.332   27.714   35.631   80.239   18.376  133.326   50.255  201.849   23.329 -68.52284 55.40606 
1 1 1    9    2    8 o  771.222   60.953  1088.03  107.156  1037.28  111.947  1643.17  370.244  718.779   39.910  823.666  115.188 -104.8865 121.9058 
1 1 1    9    2    9 o  434.542   49.350  483.371   52.825  517.028   57.496  301.116  133.796  510.906   28.838  358.177   94.393 152.7293 98.69969 
1 1 1    9    2   10 o  401.895   95.081  374.556  146.790  374.556  146.790   0.0000   0.0000  401.895   95.081  ?   ?       ?      ? 
1 1 1    9    2   12 o  313.497   82.362  216.360  102.069  216.360  102.069   0.0000   0.0000  313.497   82.362  ?   ?       ?      ? 
1 1 1    9    2   13 o  775.256   41.020  1196.20  124.100  1196.20  124.100   0.0000   0.0000  775.256   41.020  ?   ?       ?      ? 
1 1 1    9    2   14 o  520.419   56.032  667.777   73.804  713.208   80.809  439.295  181.221  600.690   34.473  440.149  106.630 160.5417 112.0643 
1 1 1    9    2   15 o  533.773   45.848  480.784   47.805  466.848   49.245  708.639  199.128  487.473   25.887  580.073   87.966 -92.60022 91.69642 
1 1 1    9    2   16 o  773.539   61.254  1096.30   84.779  1077.09   87.043  1451.17  374.144  739.628   30.157  807.450  118.738 -67.82220 122.5082 
1 1 1    9    2   17 o  923.801   69.965  1510.30  108.270  1477.71  110.683  2233.49  521.345  865.567   32.768  982.035  136.040 -116.4678 139.9306 
1 1 1    9    2   18 o  668.922   40.898  888.594  106.761  888.594  106.761   0.0000   0.0000  668.922   40.898  ?   ?       ?      ? 
1 1 1    9    2   19 o  424.842   24.781  357.497   41.033  341.216   58.464  373.303   57.605  415.121   36.090  434.563   33.968 -19.44165 49.56125 
1 1 1    9    2   20 o  429.924   21.651  381.472   34.631  470.272   46.627  272.207   51.721  489.182   24.425  370.666   35.756 118.5157 43.30228 
1 1 1    9    2   21 o  445.977   25.861  391.360   45.008  391.360   45.008   0.0000   0.0000  445.977   25.861  ?   ?       ?      ? 
1 1 1    9    2   22 o  467.952   21.883  424.124   38.144  404.948   46.892  461.629   65.579  453.425   26.501  482.479   34.830 -29.05389 43.76566 
1 1 1    9    2   23 o  510.795   22.609  506.983   42.918  485.503   52.655  549.502   74.082  496.059   27.200  525.531   36.123 -29.47144 45.21864 
1 1 1    9    2   24 o  261.102   20.827  138.078   20.630  170.994   28.781  103.295   29.586  294.376   25.053  227.828   33.277 66.54822 41.65348 
1 1 1    9    2   25 o  243.624   20.815  118.050   19.761  118.797   27.285  117.227   28.659  244.564   28.589  242.685   30.261 1.878357 41.62979 
1 1 1    9    2   26 o  302.553   23.845  186.485   27.750  159.475   40.567  210.239   38.042  280.766   37.025  324.340   30.056 -43.57385 47.68902 
1 1 1    9    2   27 o  305.967   99.128  252.569  135.173   0.0000   0.0000  252.569  135.173  ?   ?   305.967   99.128      ?      ? 
1 1 1    9    2   28 o  275.139   22.370  153.514   23.977  160.914   33.565  145.802   34.263  282.283   30.469  267.996   32.761 14.28732 44.74020 
1 1 1    9    2   29 o  323.478   51.821  286.699   67.496  366.363   84.214  143.599  112.868  410.788   52.533  236.167   89.341 174.6206 103.6416 
1 1 1    9    2   30 f  304.344   47.545  226.523   65.173  400.973   93.260   60.012   91.113  424.540   56.292  184.148   76.639 240.3923 95.09074 
1 1 1    9    2   31 o  309.196   86.497  268.421  108.463   0.0000   0.0000  268.421  108.463  ?   ?   309.196   86.497      ?      ? 
1 1 1    9    2   32 o  185.247   39.359   62.825   20.365  112.400   68.790   58.063   21.321  206.409   70.805  164.085   34.396 42.32358 78.71767 
1 1 1    9    2   33 o  222.317   49.827  126.117   57.862  233.018   83.129   25.645   80.590  292.114   73.099  152.519   67.730 139.5949 99.65408 
1 1 1    9    2   34 o  236.900   39.869  180.913   36.685  205.270   39.506   28.364   98.867  313.073   32.336  160.726   72.887 152.3476 79.73780 
1 1 1    9    2   35 o  296.813   24.534  187.004   28.165  157.145   38.961  219.690   40.764  270.405   36.922  323.220   32.318 -52.81439 49.06794 
1 1 1    9    3    0 o  628.830   23.101  796.344   55.210  865.223   72.427  700.805   85.300  662.937   27.996  594.722   36.754 68.21564 46.20184 
1 1 1    9    3    1 o  324.162   22.360  206.695   28.234  219.715   41.481  195.456   38.540  333.612   31.862  314.711   31.381 18.90082 44.72078 
1 1 1    9    3    2 o  297.298   19.986  174.307   21.634  174.669   26.265  173.545   38.153  298.289   22.564  296.307   32.995 1.981049 39.97254 
1 1 1    9    3    3 o  593.696   24.789  693.097   57.197  762.984   85.707  636.979   76.802  620.378   35.402  567.015   34.709 53.36365 49.57848 
1 1 1    9    3    4 o  379.779   22.248  285.254   32.970  290.700   46.772  279.875   46.483  383.415   31.259  376.143   31.667 7.272186 44.49691 
1 1 1    9    3    5 o  389.462   20.833  294.884   31.360  358.095   47.685  246.713   41.628  425.761   28.700  353.164   30.205 72.59720 41.66576 
1 1 1    9    3    6 o  332.755   36.236  155.499   33.999  130.445   36.135  348.847  100.382  255.807   36.197  409.702   62.785 -153.8943 72.47212 
1 1 1    9    3    7 o  480.462   43.226  374.849   51.307  348.031   53.842  639.738  169.215  418.309   32.983  542.616   79.913 -124.3065 86.45168 
1 1 1    9    3    8 o  738.250   58.054  781.418   85.459  724.362   87.765  1824.72  375.298  601.627   37.382  874.873  109.926 -273.2463 116.1081 
1 1 1    9    3    9 o  449.474   42.017  305.871   46.215  278.974   48.326  593.797  158.111  374.488   33.068  524.459   77.253 -149.9709 84.03314 
1 1 1    9    3   10 o  389.679   56.996  323.627   85.769  481.979  131.253  205.615  113.308  478.175   70.338  301.184   89.704 176.9916 113.9927 
1 1 1    9    3   11 o  269.228   76.362  157.754   83.930  157.754   83.930   0.0000   0.0000  269.228   76.362  ?   ?       ?      ? 
1 1 1    9    3   12 o  540.641   78.055  673.313  159.099  707.063  227.412  640.957  222.662  555.411  108.814  525.871  111.936 29.54016 156.1098 
1 1 1    9    3   13 o  626.611   56.896  929.542   95.300  986.819  105.636  679.083  220.898  705.153   38.388  548.068  107.122 157.0854 113.7927 
1 1 1    9    3   14 o  459.634   48.871  476.266   44.020  483.653   45.975  394.875  152.611  496.373   23.734  422.895   94.816 73.47748 97.74175 
1 1 1    9    3   15 o  496.146   53.723  620.458   56.318  649.132   59.732  390.844  169.028  574.721   26.633  417.570  104.093 157.1513 107.4466 
1 1 1    9    3   16 o  679.380  127.005  1064.59  324.338   0.0000   0.0000  1064.59  324.338  ?   ?   679.380  127.005      ?      ? 
1 1 1    9    3   17 o  726.251   63.337  1043.03  111.705  1023.59  118.168  1206.30  342.451  717.809   42.185  734.692  119.443 -16.88336 126.6738 
1 1 1    9    3   18 o  332.069   40.247  189.674   28.302  182.762   29.410  276.245  104.081  305.047   24.706  359.091   76.609 -54.04437 80.49414 
1 1 1    9    3   19 o  460.824   49.735  434.039   45.147  432.324   46.949  455.101  164.533  468.938   25.655  452.711   96.104 16.22754 99.46938 
1 1 1    9    3   20 o  745.668   30.473  1097.16   88.672  1097.16   88.672   0.0000   0.0000  745.668   30.473  ?   ?       ?      ? 
1 1 1    9    3   21 o  217.940   27.404   93.564   23.307   93.564   23.307   0.0000   0.0000  217.940   27.404  ?   ?       ?      ? 
1 1 1    9    3   22 o  831.231   63.644  1142.39   90.088  1106.11   92.037  1972.17  440.154  747.844   31.537  914.619  123.320 -166.7750 127.2885 
1 1 1    9    3   23 o  364.400   26.069  261.826   37.071  261.826   37.071   0.0000   0.0000  364.400   26.069  ?   ?       ?      ? 
1 1 1    9    3   24 o  156.960   22.861   49.534   13.466   62.497   20.701   40.024   17.731  174.829   31.501  139.091   33.138 35.73764 45.72120 
1 1 1    9    3   25 o  496.847   22.415  467.560   40.846  423.983   48.994  566.880   73.967  462.297   27.158  531.396   35.669 -69.09921 44.83068 
1 1 1    9    3   26 o  297.229   32.392  177.389   37.572   0.0000   0.0000  177.389   37.572  ?   ?   297.229   32.392      ?      ? 
1 1 1    9    3   28 o  160.272   26.174   55.801   16.054   45.339   24.310   63.893   21.380  145.594   41.027  174.950   32.512 -29.35625 52.34766 
1 1 1    9    3   29 o  270.105   22.060  148.317   23.168  162.771   32.831  133.978   32.700  283.742   29.650  256.468   32.672 27.27414 44.12010 
1 1 1    9    3   30 o  334.882   44.668  274.302   56.972  429.709   81.170  123.402   79.984  448.106   46.417  221.658   76.331 226.4487 89.33669 
1 1 1    9    3   31 o  273.317   38.468  172.792   31.430  165.317   72.577  174.518   34.869  254.597   70.591  292.036   30.597 -37.43915 76.93628 
1 1 1    9    3   32 o  168.397   27.032   64.302   17.879   43.126   27.267   80.272   23.679  139.666   44.445  197.128   30.781 -57.46207 54.06376 
1 1 1    9    3   33 o  184.794   35.336  102.585   31.359  125.245   33.080 -98.3046   98.495  243.485   34.815  126.104   61.502 117.3813 70.67236 
1 1 1    9    3   34 o  253.529   37.785  235.175   42.340  279.943   45.181 -87.5945  121.315  366.110   31.624  140.948   68.635 225.1622 75.56993 
1 1 1    9    3   35 o  222.674   27.240  110.641   22.610   93.839   33.749  124.323   30.454  202.166   44.025  243.183   32.091 -41.01714 54.47967 
1 1 1    9    4    0 o  571.977   22.092  659.834   47.883  714.938   62.435  581.135   74.614  602.571   26.551  541.384   35.317 61.18738 44.18448 
1 1 1    9    4    1 o  173.211   17.505   59.007   11.757   68.131   16.944   50.534   16.328  186.202   23.318  160.219   26.115 25.98303 35.01044 
1 1 1    9    4    2 o  430.698   97.302  420.821  159.684  420.821  159.684   0.0000   0.0000  430.698   97.302  ?   ?       ?      ? 
1 1 1    9    4    3 o  669.653   26.996  893.279   70.545  900.937  100.428  885.820   99.115  672.452   38.270  666.852   38.087 5.599792 53.99295 
1 1 1    9    4    4 o  139.803   50.827   33.457   35.874   33.457   35.874   0.0000   0.0000  139.803   50.827  ?   ?       ?      ? 
1 1 1    9    4    5 o  570.960   35.215  649.119   78.464  649.119   78.464   0.0000   0.0000  570.960   35.215  ?   ?       ?      ? 
1 1 1    9    4    6 o  143.582   28.943   43.803   14.947   46.633   16.543   31.222   34.882  151.010   29.128  136.154   50.024 14.85551 57.88694 
1 1 1    9    4    7 o  483.946   33.464  466.345   63.198  466.345   63.198   0.0000   0.0000  483.946   33.464  ?   ?       ?      ? 
1 1 1    9    4    8 o  608.594   66.802  823.221  144.749  782.686  175.594  909.176  255.698  603.660   74.539  613.528  110.878 -9.868469 133.6041 
1 1 1    9    4    9 o  551.838   67.312  708.419  131.970  752.287  164.278  628.593  221.602  596.341   70.591  507.334  114.631 89.00677 134.6235 
1 1 1    9    4   10 o  371.614   52.137  323.951   70.804  400.497   90.140  200.644  114.407  444.126   52.009  299.102   90.378 145.0242 104.2748 
1 1 1    9    4   11 o  496.634   62.357  506.290  120.851  506.290  120.851   0.0000   0.0000  496.634   62.357  ?   ?       ?      ? 
1 1 1    9    4   12 o  482.656   61.470  538.191  105.348  630.764  133.437  385.015  171.645  555.936   61.506  409.376  106.447 146.5600 122.9393 
1 1 1    9    4   13 o  769.066   98.481  1411.06  289.145  1301.54  399.487  1531.56  419.038  728.401  145.630  809.732  132.611 -81.33136 196.9616 
1 1 1    9    4   14 o  362.152   87.563  286.320  122.387   0.0000   0.0000  286.320  122.387  ?   ?   362.152   87.563      ?      ? 
1 1 1    9    4   15 o  1016.20   82.189  2353.82  209.016  2384.59  224.524  2153.93  572.330  1090.33   52.768  942.075  155.679 148.2511 164.3787 
1 1 1    9    4   16 o  445.508   50.879  481.842   63.186  525.549   70.787  310.479  140.164  515.805   35.167  375.211   95.487 140.5946 101.7571 
1 1 1    9    4   17 o  734.083   69.390  1230.50   93.455  1243.00   97.124  1074.38  343.239  794.129   31.340  674.036  135.195 120.0922 138.7801 
1 1 1    9    4   18 o  475.294   42.664  367.179   41.289  353.320   42.609  580.518  167.175  423.987   25.752  526.601   81.350 -102.6130 85.32873 
1 1 1    9    4   19 o  569.678   58.999  734.039   63.630  742.099   66.248  638.055  228.599  613.969   27.650  525.387  114.713 88.58203 117.9985 
1 1 1    9    4   20 o  752.868   30.617  1118.73   89.953  1118.73   89.953   0.0000   0.0000  752.868   30.617  ?   ?       ?      ? 
1 1 1    9    4   21 o  471.532   54.603  512.683   50.369  520.495   52.556  424.656  176.422  514.212   26.191  428.853  106.019 85.35895 109.2060 
1 1 1    9    4   22 o  1145.44   94.337  2340.09  154.669  2277.52  157.109  4307.55  880.997  1069.79   37.633  1221.08  184.883 -151.2943 188.6742 
1 1 1    9    4   23 o  443.116   49.813  361.432   42.569  352.376   44.006  493.362  167.963  422.548   26.687  463.685   95.985 -41.13699 99.62644 
1 1 1    9    4   24 o  347.668   51.924  274.530   37.442  276.582   38.864  248.024  139.676  373.928   26.634  321.409  100.374 52.51941 103.8476 
1 1 1    9    4   25 o  119.658   39.120  -8.8951   26.722  -6.6154   28.204 -28.8901   83.531   91.515   40.381  147.801   67.014 -56.28654 78.24012 
1 1 1    9    4   26 o  610.137  171.152  1411.78  424.053   0.0000   0.0000  1411.78  424.053  ?   ?   610.137  171.152      ?      ? 
1 1 1    9    4   27 f  220.598   53.775   85.915   36.389   79.491   37.960  158.730  127.803  190.225   50.349  250.970   95.038 -60.74451 107.5509 
1 1 1    9    4   28 o  297.533   57.182  218.837   49.597  219.196   51.960  215.152  166.362  324.693   41.008  270.374  106.759 54.31882 114.3637 
1 1 1    9    4   29 o  315.265   43.614  209.297   53.658  209.297   53.658   0.0000   0.0000  315.265   43.614  ?   ?       ?      ? 
1 1 1    9    4   30 o  321.566   46.689  221.967   58.589  221.967   58.589   0.0000   0.0000  321.566   46.689  ?   ?       ?      ? 
1 1 1    9    4   31 f  207.475   34.202   94.354   23.733   98.809   51.199   93.135   26.784  202.352   60.307  212.598   32.284 -10.24634 68.40436 
1 1 1    9    4   32 o  541.018   29.790  603.232   62.894  603.232   62.894   0.0000   0.0000  541.018   29.790  ?   ?       ?      ? 
1 1 1    9    4   33 o  144.747   45.507   47.536   28.656   47.536   28.656   0.0000   0.0000  144.747   45.507  ?   ?       ?      ? 
1 1 1    9    4   34 o  279.123   24.161  164.089   26.259  172.411   38.732  157.010   35.723  285.258   34.794  272.989   33.533 12.26965 48.32210 
1 1 1    9    4   35 o  216.348   30.015  112.275   24.380   65.268   36.299  150.906   32.907  164.523   51.135  268.173   31.444 -103.6503 60.02901 
1 1 1    9    5    0 o  1098.28   37.540  2445.48  160.491  2568.09  237.362  2342.22  217.830  1122.62   54.181  1073.94   51.977 48.68530 75.08093 
1 1 1    9    5    1 o  501.245   23.009  498.128   45.005  493.721   63.350  502.618   63.947  499.009   32.532  503.481   32.547 -4.472107 46.01752 
1 1 1    9    5    2 o  227.070   49.320  109.607   47.935  113.989   68.097  105.303   67.488  230.937   69.715  223.203   69.781 7.733780 98.63902 
1 1 1    9    5    3 o  752.087  111.344  1562.92  316.260  1476.11  439.704  1655.96  455.218  726.689  159.434  777.485  155.469 -50.79602 222.6876 
1 1 1    9    5    4 o  239.181   38.905  123.311   29.204  126.361   32.226  109.297   69.083  252.173   32.747  226.188   70.583 25.98546 77.80921 
1 1 1    9    5    5 o  359.433   62.963  297.120   88.031  268.532  122.790  327.353  126.273  340.387   90.774  378.479   87.278 -38.09177 125.9261 
1 1 1    9    5    6 o  116.652   27.139   26.916   13.265   29.973   15.017   16.058   28.299  120.646   31.541  112.659   44.174 7.987282 54.27876 
1 1 1    9    5    7 o  162.266   56.518   50.073   43.910   50.073   43.910   0.0000   0.0000  162.266   56.518  ?   ?       ?      ? 
1 1 1    9    5    8 o  196.881   52.197   81.965   40.754   81.965   40.754   0.0000   0.0000  196.881   52.197  ?   ?       ?      ? 
1 1 1    9    5    9 o  285.243   51.973  169.925   55.721  169.925   55.721   0.0000   0.0000  285.243   51.973  ?   ?       ?      ? 
1 1 1    9    5   10 o  629.770   72.631  830.338  178.500  830.338  178.500   0.0000   0.0000  629.770   72.631  ?   ?       ?      ? 
1 1 1    9    5   11 o  852.663   90.935  1566.04  302.579  1566.04  302.579   0.0000   0.0000  852.663   90.935  ?   ?       ?      ? 
1 1 1    9    5   12 o  384.873   53.168  340.457   74.100  411.626   93.838  222.564  120.774  451.951   53.205  317.795   92.067 134.1553 106.3353 
1 1 1    9    5   13 o  635.003   72.274  929.528  162.031  1064.99  206.474  712.366  261.422  718.106   73.679  551.900  124.361 166.2067 144.5488 
1 1 1    9    5   14 f  469.664   57.063  479.282   96.034  514.476  120.350  417.596  159.332  503.967   61.195  435.361   96.333 68.60571 114.1264 
1 1 1    9    5   15 o  1067.26   93.415  2763.50  242.870  2839.55  262.944  2321.72  633.747  1187.41   56.745  947.105  178.004 240.3076 186.8301 
1 1 1    9    5   16 o  837.951   63.698  1475.99  106.374  1475.70  110.575  1479.61  389.594  864.980   32.758  810.923  123.112 54.05719 127.3959 
1 1 1    9    5   17 o  145.904   35.387   39.408   24.020   41.383   30.830   36.358   38.315  145.952   47.347  145.855   52.604 0.9678650E-01 70.77358 
1 1 1    9    5   18 o  349.443   25.800  240.052   35.182  240.052   35.182   0.0000   0.0000  349.443   25.800  ?   ?       ?      ? 
1 1 1    9    5   19 o  542.088   27.505  578.559   58.186  578.559   58.186   0.0000   0.0000  542.088   27.505  ?   ?       ?      ? 
1 1 1    9    5   20 o  731.585   69.408  1174.90   90.849  1175.63   94.035  1164.68  351.990  771.521   31.233  691.650  135.256 79.87085 138.8156 
1 1 1    9    5   21 o  482.258   54.236  511.817   51.389  515.167   53.563  473.037  182.236  511.405   26.839  453.112  105.099 58.29306 108.4718 
1 1 1    9    5   22 o  216.363   43.975   99.996   35.779  104.634   40.769   84.454   74.638  223.819   48.108  208.907   73.625 14.91206 87.94933 
1 1 1    9    5   23 o  209.585   41.687   80.177   22.636   78.889   23.522   96.298   83.225  199.533   30.209  219.638   77.709 -20.10477 83.37418 
1 1 1    9    5   24 o  659.922   57.130  749.619   66.384  725.330   67.975  1250.37  308.639  604.541   28.813  715.303  110.568 -110.7618 114.2604 
1 1 1    9    5   25 o  557.328  138.900  921.239  301.014   0.0000   0.0000  921.239  301.014  ?   ?   557.328  138.900      ?      ? 
1 1 1    9    5   26 o  502.483  137.971  811.407  278.801   0.0000   0.0000  811.407  278.801  ?   ?   502.483  137.971      ?      ? 
1 1 1    9    5   27 o  561.132  194.780  1796.44  521.321   0.0000   0.0000  1796.44  521.321  ?   ?   561.132  194.780      ?      ? 
1 1 1    9    5   28 o  512.499  177.696  1418.32  433.823   0.0000   0.0000  1418.32  433.823  ?   ?   512.499  177.696      ?      ? 
1 1 1    9    5   29 o  339.421  122.873  422.598  209.331   0.0000   0.0000  422.598  209.331  ?   ?   339.421  122.873      ?      ? 
1 1 1    9    5   30 o  172.859   54.013   67.610   40.440   67.610   40.440   0.0000   0.0000  172.859   54.013  ?   ?       ?      ? 
1 1 1    9    5   31 o  349.126  132.566  612.967  249.094   0.0000   0.0000  612.967  249.094  ?   ?   349.126  132.566      ?      ? 
1 1 1    9    5   32 o  188.665   49.460   82.540   39.212   79.384   42.168  102.711  106.603  181.473   54.877  195.858   82.303 -14.38493 98.92081 
1 1 1    9    5   33 o  179.752   44.743   74.210   31.262   74.210   31.262   0.0000   0.0000  179.752   44.743  ?   ?       ?      ? 
1 1 1    9    5   34 o  138.407   43.103   20.375   29.147   17.373   30.659   48.590   93.989  110.795   45.107  166.018   73.462 -55.22329 86.20544 
1 1 1    9    5   35 f  197.181   46.005  106.414   35.843  109.981   37.659   72.096  116.817  217.535   45.810  176.828   79.795 40.70679 92.00940 
1 1 1    9    6    0 o  642.727   27.591  815.154   68.443  907.832  106.767  750.497   89.178  672.573   40.679  612.882   37.286 59.69110 55.18159 
1 1 1    9    6    1 o  254.783   34.560  168.499   26.715  193.430   30.208   79.009   57.232  313.200   24.715  196.367   64.550 116.8329 69.11949 
1 1 1    9    6    2 o  725.831   40.033  1056.97  113.393  1056.97  113.393   0.0000   0.0000  725.831   40.033  ?   ?       ?      ? 
1 1 1    9    6    3 o  331.666   40.463  274.180   37.628  301.316   42.080  165.892   84.060  390.298   27.628  273.034   76.065 117.2647 80.92690 
1 1 1    9    6    4 o  308.425   44.358  195.940   39.320  192.942   42.857  211.886   98.850  310.934   35.320  305.917   81.381 5.016937 88.71529 
1 1 1    9    6    5 o  308.124   57.642  214.543   70.720  185.990   98.475  244.951  101.624  286.514   83.172  329.733   79.831 -43.21960 115.2848 
1 1 1    9    6    6 o  629.658   93.676  1030.52  222.881  981.056  311.177  1082.62  319.387  611.614  134.074  647.703  130.864 -36.08905 187.3528 
1 1 1    9    6    7 f  202.253   53.816   86.661   43.221   86.661   43.221   0.0000   0.0000  202.253   53.816  ?   ?       ?      ? 
1 1 1    9    6    8 o  400.358   49.941  327.391   71.809  300.658   86.835  385.218  127.713  382.637   58.154  418.078   81.206 -35.44159 99.88123 
1 1 1    9    6    9 o  401.920   53.918  347.386   77.859  350.762   95.489  340.691  134.488  414.044   59.098  389.796   90.201 24.24875 107.8368 
1 1 1    9    6   10 o  544.533   63.573  671.643  123.214  746.849  156.064  547.191  200.761  601.967   66.435  487.098  108.408 114.8689 127.1451 
1 1 1    9    6   11 o  240.910   51.012  122.271   51.699  120.411   72.037  124.246   74.239  239.136   71.594  242.684   72.685 -3.547958 102.0241 
1 1 1    9    6   12 o  226.691   42.237  112.990   37.735  130.229   46.453   79.543   64.705  250.976   49.188  202.407   68.676 48.56915 84.47440 
1 1 1    9    6   13 o  474.183   60.899  498.308  102.938  541.897  128.067  418.741  173.029  516.293   63.564  432.073  103.896 84.22021 121.7979 
1 1 1    9    6   14 o  193.450   40.362   78.365   32.325   87.626   40.103   61.188   54.616  205.335   50.417  181.564   63.044 23.77158 80.72472 
1 1 1    9    6   15 o  395.440   52.361  349.078   75.057  416.986   96.520  245.188  119.383  455.615   54.286  335.264   89.552 120.3513 104.7213 
1 1 1    9    6   16 o  876.701  164.995  1940.10  543.773  1940.10  543.773   0.0000   0.0000  876.701  164.995  ?   ?       ?      ? 
1 1 1    9    6   17 o  628.661   27.578  777.566   67.656  777.566   67.656   0.0000   0.0000  628.661   27.578  ?   ?       ?      ? 
1 1 1    9    6   18 o  382.176   47.485  321.701   39.652  325.832   41.713  282.975  127.721  407.018   26.262  357.333   91.266 49.68503 94.96907 
1 1 1    9    6   19 o  312.376   83.350  213.776  103.490   0.0000   0.0000  213.776  103.490  ?   ?   312.376   83.350      ?      ? 
1 1 1    9    6   20 o  276.411   40.991  170.093   27.834  173.797   29.466  139.408   84.814  297.228   25.404  255.594   77.947 41.63373 81.98283 
1 1 1    9    6   21 o  425.681   44.274  321.553   39.843  310.754   41.459  452.033  144.116  397.137   26.752  454.226   84.411 -57.08914 88.54844 
1 1 1    9    6   22 o  525.648   59.547  672.982   61.361  687.899   64.219  516.435  208.032  590.239   27.881  461.057  115.784 129.1815 119.0937 
1 1 1    9    6   23 o  233.868   42.337   90.630   23.721   85.924   24.649  149.626   87.275  208.105   30.352  259.631   79.046 -51.52557 84.67330 
1 1 1    9    6   24 o  525.034  125.405  741.712  253.411   0.0000   0.0000  741.712  253.411  ?   ?   525.034  125.405      ?      ? 
1 1 1    9    6   25 o  409.460   56.031  376.547   44.275  375.129   45.848  396.155  170.512  434.223   27.057  384.698  108.747 49.52536 112.0621 
1 1 1    9    6   26 o  441.978  128.130  615.031  233.848   0.0000   0.0000  615.031  233.848  ?   ?   441.978  128.130      ?      ? 
1 1 1    9    6   27 o  270.470   57.523  176.832   54.235  175.725   58.376  183.815  146.621  280.960   55.211  259.981  100.933 20.97897 115.0469 
1 1 1    9    6   28 o  340.496  121.302  407.048  203.127   0.0000   0.0000  407.048  203.127  ?   ?   340.496  121.302      ?      ? 
1 1 1    9    6   29 o  223.077   50.137  110.125   29.664  111.335   30.203   77.114  157.802  233.338   33.169  212.816   94.629 20.52193 100.2734 
1 1 1    9    6   30 o  376.360  139.291  680.007  271.280   0.0000   0.0000  680.007  271.280  ?   ?   376.360  139.291      ?      ? 
1 1 1    9    6   31 o  171.264   44.823   63.100   26.909   65.848   27.507   1.9828  129.732  172.095   41.452  170.433   79.487 1.662003 89.64571 
1 1 1    9    6   32 o  132.945   53.310   30.945   42.108   30.945   42.108   0.0000   0.0000  132.945   53.310  ?   ?       ?      ? 
1 1 1    9    6   33 o  282.489   35.282  169.207   38.894  169.207   38.894   0.0000   0.0000  282.489   35.282  ?   ?       ?      ? 
1 1 1    9    6   34 o  120.250   40.547  -9.8294   28.243 -12.0688   29.504   14.701   97.650   86.221   39.375  154.279   70.892 -68.05801 81.09342 
1 1 1    9    6   35 o  182.786   44.459   90.491   33.748   95.775   35.137   27.572  121.243  202.399   45.582  163.173   76.345 39.22618 88.91708 
1 1 1    9    7    0 o  388.805   48.541  343.050   48.345  350.444   52.170  298.102  128.628  419.909   31.837  357.702   91.714 62.20691 97.08228 
1 1 1    9    7    1 o  390.738   47.651  304.539   46.783  296.976   49.894  359.583  134.602  386.266   33.100  395.211   89.370 -8.945740 95.30284 
1 1 1    9    7    2 o  407.893   48.978  323.863   52.693  310.823   56.563  409.488  144.943  394.266   36.763  421.520   90.796 -27.25400 97.95606 
1 1 1    9    7    3 o  112.703   43.007   18.426   26.298   0.0000   0.0000   18.426   26.298  ?   ?   112.703   43.007      ?      ? 
1 1 1    9    7    4 o  149.441   53.342   40.457   39.297   0.0000   0.0000   40.457   39.297  ?   ?   149.441   53.342      ?      ? 
1 1 1    9    7    5 o  367.785   63.202  309.560   90.070  272.060  125.069  349.964  129.821  342.967   91.682  392.604   87.020 -49.63699 126.4047 
1 1 1    9    7    6 o  591.879   86.340  862.815  192.784  804.362  267.963  925.533  277.565  568.196  124.306  615.562  119.859 -47.36639 172.6793 
1 1 1    9    7    7 o  163.576   50.142   54.499   35.041   54.499   35.041   0.0000   0.0000  163.576   50.142  ?   ?       ?      ? 
1 1 1    9    7    8 o  646.465   63.433  846.901  148.725  754.103  176.525  1073.91  276.094  598.738   75.550  694.192  101.917 -95.45422 126.8656 
1 1 1    9    7    9 o  642.779   69.847  914.086  159.887  918.627  196.716  905.245  274.451  662.272   76.115  623.286  117.136 38.98596 139.6936 
1 1 1    9    7   10 o  519.358   60.211  595.106  111.516  638.845  139.740  518.402  185.051  558.811   64.080  479.905  101.956 78.90536 120.4217 
1 1 1    9    7   11 o  718.178   77.113  1072.61  216.117  1072.61  216.117   0.0000   0.0000  718.178   77.113  ?   ?       ?      ? 
1 1 1    9    7   12 o  258.621   52.870  138.869   51.558  138.869   51.558   0.0000   0.0000  258.621   52.870  ?   ?       ?      ? 
1 1 1    9    7   13 o  397.615   60.109  319.721   93.269  319.721   93.269   0.0000   0.0000  397.615   60.109  ?   ?       ?      ? 
1 1 1    9    7   14 f  577.552  113.045  750.765  245.665  750.765  245.665   0.0000   0.0000  577.552  113.045  ?   ?       ?      ? 
1 1 1    9    7   15 o  845.498  110.835  1763.48  352.222  1785.17  500.238  1742.15  496.023  851.197  156.358  839.798  157.130 11.39935 221.6707 
1 1 1    9    7   16 o  428.006   65.683  399.073  106.663  479.151  157.504  331.238  144.964  469.862   89.161  386.150   96.476 83.71167 131.3669 
1 1 1    9    7   17 o  763.632   85.392  1372.80  230.982  1484.90  290.491  1180.07  380.892  835.540   89.091  691.725  145.704 143.8155 170.7833 
1 1 1    9    7   18 o  549.437   58.248  705.890   64.944  720.304   68.194  565.401  212.901  604.571   28.905  494.303  112.853 110.2685 116.4955 
1 1 1    9    7   19 o  203.970   48.157   82.711   45.026   78.442   64.515   86.766   62.871  200.689   68.573  207.252   67.632 -6.563049 96.31394 
1 1 1    9    7   20 o  116.145   35.322 -13.8612   19.638   40.791   56.931 -21.2419   20.922  164.990   63.201   67.300   31.560 97.68941 70.64312 
1 1 1    9    7   21 o  208.096   49.261   84.698   46.669   70.128   60.911  105.410   72.623  191.155   66.567  225.037   72.633 -33.88171 98.52233 
1 1 1    9    7   23 f  525.934   62.057  612.589   88.863  606.426   96.901  645.180  222.841  546.381   45.447  505.487  115.494 40.89352 124.1139 
1 1 1    9    7   24 o  460.691   57.741  650.979   60.790  703.743   64.970  280.061  172.259  594.986   27.982  326.395  112.041 268.5909 115.4821 
1 1 1    9    7   25 o  313.384  100.105  258.060  138.222   0.0000   0.0000  258.060  138.222  ?   ?   313.384  100.105      ?      ? 
1 1 1    9    7   26 o  163.211   44.704   37.562   20.541   36.558   20.981   60.738  100.794  131.992   38.413  194.431   80.737 -62.43903 89.40888 
1 1 1    9    7   27 o  410.708  130.598  597.981  235.457   0.0000   0.0000  597.981  235.457  ?   ?   410.708  130.598      ?      ? 
1 1 1    9    7   28 o  305.556  115.097  316.575  186.834   0.0000   0.0000  316.575  186.834  ?   ?   305.556  115.097      ?      ? 
1 1 1    9    7   29 o  205.304   52.962   74.906   26.959   73.666   27.333  119.271  163.491  185.003   39.085  225.605   98.449 -40.60300 105.9238 
1 1 1    9    7   30 o  199.198   51.431   77.416   27.429   77.065   27.802   90.245  168.112  188.431   39.090  209.965   95.146 -21.53358 102.8630 
1 1 1    9    7   31 o  286.372   33.396  171.087   37.322  171.087   37.322   0.0000   0.0000  286.372   33.396  ?   ?       ?      ? 
1 1 1    9    7   32 o  127.459   55.629   12.255   52.220   12.255   52.220   0.0000   0.0000  127.459   55.629  ?   ?       ?      ? 
1 1 1    9    7   33 o  201.833   49.753  102.616   35.688  103.542   36.667   85.971  155.476  212.414   45.598  191.252   88.444 21.16187 99.50608 
1 1 1    9    7   34 o  164.968   49.466   42.446   32.667   36.131   33.899  124.655  122.304  131.538   49.128  198.398   85.871 -66.85971 98.93104 
1 1 1    9    8    0 o  565.131   58.591  715.181   79.823  720.584   85.498  678.492  222.808  600.788   36.467  529.474  111.364 71.31427 117.1825 
1 1 1    9    8    1 o  445.380   49.714  480.140   58.206  508.640   64.006  343.921  139.931  505.986   32.415  384.775   93.997 121.2112 99.42889 
1 1 1    9    8    2 o  319.277   59.030  229.960   74.548  208.155  104.238  252.788  106.657  303.331   84.775  335.223   82.168 -31.89215 118.0605 
1 1 1    9    8    3 o  589.310   86.544  859.186  192.510  819.551  269.118  900.722  275.496  573.390  123.889  605.231  120.875 -31.84088 173.0872 
1 1 1    9    8    4 o  756.749  157.594  1571.47  450.278   0.0000   0.0000  1571.47  450.278  ?   ?   756.749  157.594      ?      ? 
1 1 1    9    8    5 o  323.894   58.802  233.335   74.948  206.415  104.480  261.873  107.572  304.128   84.829  343.661   81.455 -39.53320 117.6046 
1 1 1    9    8    6 o  1123.23  133.617  3387.70  511.656  3024.67  599.641  4359.68  981.187  1104.57  139.113  1141.89  228.171 -37.32153 267.2344 
1 1 1    9    8    7 o  368.135   90.163  302.949  128.501  302.949  128.501   0.0000   0.0000  368.135   90.163  ?   ?       ?      ? 
1 1 1    9    8    8 o  616.991   80.924  862.700  189.755  719.560  256.415  1035.99  282.134  550.945  122.439  683.038  105.847 -132.0932 161.8485 
1 1 1    9    8    9 o  136.549   36.211   28.725   26.109   32.628   35.149   23.920   38.996  138.909   50.340  134.188   52.065 4.721390 72.42158 
1 1 1    9    8   10 o  853.551  108.869  1789.76  354.100  1598.40  482.741  2012.64  520.991  792.719  161.532  914.383  146.006 -121.6647 217.7391 
1 1 1    9    8   11 o  225.058   45.580  104.690   41.192  109.297   67.208  101.918   52.132  229.403   69.260  220.714   59.273 8.688522 91.16035 
1 1 1    9    8   12 o  450.312   57.518  424.165   92.563  416.200  112.699  440.677  162.262  452.648   63.801  447.977   95.722 4.670898 115.0359 
1 1 1    9    8   13 o  198.055   41.529   82.371   33.877   91.586   41.283   63.370   59.279  209.874   50.924  186.235   65.617 23.63959 83.05891 
1 1 1    9    8   14 o  520.789   63.097  583.025  117.034  591.327  143.661  566.643  201.803  537.898   68.440  503.680  106.023 34.21835 126.1940 
1 1 1    9    8   15 o  711.713   78.995  1147.69  199.101  1198.53  246.839  1053.03  336.834  756.327   83.632  667.099  134.040 89.22815 157.9902 
1 1 1    9    8   16 o  980.236  109.102  2415.72  376.892  2555.93  471.249  2166.84  627.836  1070.95  112.758  889.519  186.811 181.4339 218.2039 
1 1 1    9    8   17 o  616.148   72.103  884.569  157.420  1026.53  201.762  663.687  251.672  703.296   73.514  528.998  124.061 174.2978 144.2060 
1 1 1    9    8   18 o  325.124   55.125  231.371   68.639  243.580   90.436  214.781  105.419  337.488   70.921  312.760   84.412 24.72781 110.2502 
1 1 1    9    8   19 o  999.452   99.218  2564.15  175.143  2597.95  182.222  2154.33  634.498  1141.68   40.900  857.222  194.176 284.4597 198.4363 
1 1 1    9    8   20 o  298.066   73.158  192.911   84.464  192.911   84.464   0.0000   0.0000  298.066   73.158  ?   ?       ?      ? 
1 1 1    9    8   21 o  833.129   84.882  1644.40  173.733  1647.71  187.165  1623.76  467.021  899.358   53.329  766.900  161.170 132.4576 169.7640 
1 1 1    9    8   22 o  433.736   55.176  463.759   52.874  477.542   55.883  346.026  163.328  490.923   29.170  376.550  106.427 114.3726 110.3525 
1 1 1    9    8   23 o  597.891   29.547  710.835   68.939  710.835   68.939   0.0000   0.0000  597.891   29.547  ?   ?       ?      ? 
1 1 1    9    8   25 o  169.479   39.427   62.965   22.661   67.713   23.427  -6.1647   89.392  180.174   34.576  158.783   70.869 21.39113 78.85403 
1 1 1    9    8   26 o  159.487   39.728   50.075   18.905   52.463   19.274 -10.6275   97.166  158.349   32.285  160.626   72.602 -2.277313 79.45692 
1 1 1    9    8   27 o  216.490   52.660  117.756   54.243  136.989   60.786   42.568  120.186  241.569   63.605  191.412   83.945 50.15703 105.3202 
1 1 1    9    8   28 o  206.343   56.401   95.836   56.374  101.433   61.302   65.164  143.501  206.829   66.730  205.856   90.947 0.9727783 112.8017 
1 1 1    9    8   29 o  140.576   59.261   21.822   55.553   21.822   55.553   0.0000   0.0000  140.576   59.261  ?   ?       ?      ? 
1 1 1    9    8   30 o  256.284   59.808  201.406   65.758  209.377   69.035  123.378  215.993  293.818   62.149  218.751  102.202 75.06757 119.6154 
1 1 1    9    8   31 o  356.818   31.108  264.030   43.317  264.030   43.317   0.0000   0.0000  356.818   31.108  ?   ?       ?      ? 
1 1 1    9    8   32 o  312.706   57.040  307.696   47.411  307.773   48.546  306.108  220.516  383.449   32.443  241.963  109.369 141.4862 114.0796 
1 1 1    9    8   33 o  176.435   50.219   64.070   32.375   63.559   33.055   76.082  160.359  164.419   48.319  188.450   88.051 -24.03099 100.4378 
1 1 1    9    8   34 o  149.697   45.169   40.794   32.805   42.830   34.115   15.802  119.507  138.452   49.671  160.943   75.458 -22.49104 90.33900 
1 1 1    9    9    0 o  435.868   49.447  399.121   54.429  397.982   58.427  406.597  149.714  447.951   33.423  423.785   93.075 24.16602 98.89423 
1 1 1    9    9    1 o  785.013  112.703  1661.31  333.353  1560.05  462.495  1770.79  480.908  756.140  161.637  813.887  157.104 -57.74701 225.4067 
1 1 1    9    9    2 o  531.953   77.423  659.718  155.330  584.733  213.966  743.267  225.856  496.370  112.996  567.535  105.872 -71.16559 154.8456 
1 1 1    9    9    3 o  739.394  103.069  1396.40  286.663  1293.60  396.498  1508.97  414.936  706.802  148.473  771.986  143.000 -65.18433 206.1386 
1 1 1    9    9    4 o  665.964  131.261  1083.11  329.000   0.0000   0.0000  1083.11  329.000  ?   ?   665.964  131.261      ?      ? 
1 1 1    9    9    5 o  662.343   90.907  1054.00  226.339  968.088  312.948  1148.23  327.747  630.560  131.439  694.127  125.620 -63.56769 181.8148 
1 1 1    9    9    6 o  504.333   69.587  557.210  133.820  447.408  180.731  690.468  199.100  441.491  106.197  567.175   89.954 -125.6841 139.1746 
1 1 1    9    9    7 o  572.019   80.387  751.221  173.086  801.549  248.371  703.702  241.341  592.745  111.466  551.292  115.860 41.45331 160.7741 
1 1 1    9    9    8 o  567.942   65.564  691.446  132.545  679.723  161.661  715.488  231.511  573.623   72.218  562.261  109.450 11.36249 131.1286 
1 1 1    9    9    9 o  606.190   66.357  776.717  143.113  747.699  173.531  838.423  253.049  601.635   73.912  610.745  110.228 -9.110046 132.7148 
1 1 1    9    9   10 o  653.844   65.077  892.844  155.846  866.079  189.475  948.822  274.021  647.761   74.956  659.927  106.403 -12.16559 130.1539 
1 1 1    9    9   11 o  324.614   43.076  219.886   52.835  265.594   74.051  172.485   75.409  363.997   52.131  285.231   68.589 78.76636 86.15211 
1 1 1    9    9   12 o  584.073   67.743  748.122  140.291  778.044  173.199  691.035  239.232  615.693   72.086  552.454  114.718 63.23950 135.4866 
1 1 1    9    9   13 o  139.230   35.104   34.395   23.985   43.910   28.620   11.945   43.962  148.166   45.299  130.294   53.639 17.87222 70.20809 
1 1 1    9    9   14 o  897.314   96.210  1883.73  304.816  1894.10  373.892  1863.18  526.357  934.989  102.473  859.638  162.865 75.35120 192.4208 
1 1 1    9    9   15 o  454.382   53.991  411.908   87.942  371.072  105.788  503.251  158.219  426.637   63.540  482.126   87.309 -55.48898 107.9824 
1 1 1    9    9   16 o  504.499   74.269  573.662  141.496  503.384  195.631  650.758  204.901  468.794  109.000  540.203  100.908 -71.40891 148.5377 
1 1 1    9    9   17 o  582.132   82.265  783.891  180.179  860.534  262.803  715.910  247.507  611.085  114.409  553.178  118.239 57.90723 164.5293 
1 1 1    9    9   18 o  468.551   72.951  487.912  128.625  593.254  200.873  414.702  167.458  510.708  104.316  426.393  102.007 84.31506 145.9016 
1 1 1    9    9   19 o  650.072   91.864  1015.40  223.782  1170.01  339.267  896.331  297.736  694.405  129.975  605.740  129.855 88.66528 183.7277 
1 1 1    9    9   20 o  336.164   59.415  252.599   77.781  264.994  107.757  239.116  112.385  345.946   81.210  326.382   86.750 19.56387 118.8303 
1 1 1    9    9   21 f  782.563   44.398  1235.15  135.585  1235.15  135.585   0.0000   0.0000  782.563   44.398  ?   ?       ?      ? 
1 1 1    9    9   22 o  518.281   60.082  612.013   75.838  615.128   81.228  590.855  211.710  553.547   37.603  483.016  114.129 70.53128 120.1644 
1 1 1    9    9   23 o  740.006   76.883  1220.72   98.246  1202.18  101.343  1510.40  400.514  774.379   33.536  705.634  150.064 68.74469 153.7660 
1 1 1    9    9   24 o  216.765   40.268  125.655   27.322  135.507   28.495   13.330   96.214  260.553   28.025  172.977   75.503 87.57524 80.53600 
1 1 1    9    9   25 f  174.006   39.226   64.253   21.055   67.325   21.670   12.415   89.005  182.870   30.366  165.141   72.336 17.72934 78.45109 
1 1 1    9    9   26 o  232.091   51.542  138.076   59.730  190.408   72.702   29.397  104.770  284.389   66.669  179.792   78.624 104.5964 103.0850 
1 1 1    9    9   27 o  245.128   96.632  161.996  136.089   0.0000   0.0000  161.996  136.089  ?   ?   245.128   96.632      ?      ? 
1 1 1    9    9   28 o  375.939  132.882  578.086  243.301   0.0000   0.0000  578.086  243.301  ?   ?   375.939  132.882      ?      ? 
1 1 1    9    9   30 o  214.721   68.465  120.367   64.678  120.367   64.678   0.0000   0.0000  214.721   68.465  ?   ?       ?      ? 
1 1 1    9    9   31 o  182.230   48.354   69.661   27.239   69.892   27.655   62.157  157.586  176.574   40.932  187.888   87.619 -11.31407 96.70896 
1 1 1    9    9   32 o  211.536   62.335  117.327   68.116   94.754   74.240  237.453  171.264  187.986   72.134  235.087  101.683 -47.10165 124.6704 
1 1 1    9    9   33 o  173.618   44.980   75.180   32.941   80.347   34.091   2.4336  127.922  185.090   47.086  162.146   76.654 22.94432 89.96043 
1 1 1    9    9   34 o  214.962   54.118   98.269   35.977   87.440   37.286  244.449  136.990  190.142   49.695  239.781   96.153 -49.63811 108.2364 
1 1 1    9   10    0 o  399.102   65.705  356.150  100.421  351.314  141.720  361.028  142.315  396.172   93.222  402.031   92.618 -5.858917 131.4091 
1 1 1    9   10    1 o  562.272  113.628  733.090  240.746  733.090  240.746   0.0000   0.0000  562.272  113.628  ?   ?       ?      ? 
1 1 1    9   10    2 o  401.819   65.851  360.576  101.245  356.587  142.928  364.592  143.439  399.421   93.371  404.216   92.883 -4.795959 131.7016 
1 1 1    9   10    3 o  203.647   45.988   84.219   41.284   79.377   58.127   89.147   58.644  199.019   65.035  208.276   65.038 -9.257050 91.97522 
1 1 1    9   10    4 o  342.060   60.370  256.866   80.419  238.903  112.694  275.506  114.795  329.464   86.536  354.657   84.201 -25.19385 120.7406 
1 1 1    9   10    5 o  183.162   40.945   63.845   31.678   53.434   39.268   83.245   53.603  164.807   53.432  201.518   62.057 -36.71036 81.89085 
1 1 1    9   10    6 o  102.719   28.297   13.348   15.933   14.757   19.935   10.857   26.509  100.054   37.614  105.385   42.285 -5.330994 56.59342 
1 1 1    9   10    7 o  395.165   53.250  316.917   75.762  294.673   91.729  364.660  134.384  380.856   61.718  409.473   86.794 -28.61688 106.5005 
1 1 1    9   10    8 o  178.415   40.676   63.972   31.606   71.397   38.353   48.257   55.796  185.842   51.233  170.989   63.193 14.85300 81.35201 
1 1 1    9   10    9 o  486.923   61.802  515.950  106.993  537.790  131.580  473.328  183.816  513.888   65.613  459.958  104.752 53.93082 123.6042 
1 1 1    9   10   10 o  200.477   38.410   82.481   30.495   76.946   39.964   90.195   47.183  192.726   51.955  208.228   56.587 -15.50269 76.82095 
1 1 1    9   10   11 o  488.916   53.818  448.609   96.706  638.436  177.171  368.053  115.415  553.707   81.994  424.126   69.733 129.5813 107.6365 
1 1 1    9   10   12 o  499.866   66.016  521.798  124.026  762.497  191.944  349.267  162.507  605.097   81.287  394.635  104.042 210.4620 132.0316 
1 1 1    9   10   13 o  684.648   76.910  1064.44  186.142  1130.54  231.542  943.662  312.983  736.321   80.581  632.974  131.024 103.3467 153.8197 
1 1 1    9   10   14 o  368.967   63.822  300.085   91.207  317.029  128.768  283.025  129.207  380.164   88.459  357.770   92.022 22.39410 127.6443 
1 1 1    9   10   15 o  251.558   47.148  129.672   44.573  121.374   53.784  147.870   79.650  240.136   58.038  262.980   74.319 -22.84367 94.29595 
1 1 1    9   10   16 o  415.781   54.711  364.947   82.160  359.880  100.996  374.860  141.273  419.867   61.640  411.695   90.408 8.172089 109.4212 
1 1 1    9   10   17 o  556.894   68.183  703.747  135.509  755.485  169.533  612.210  225.501  602.790   72.070  510.998  115.765 91.79153 136.3659 
1 1 1    9   10   18 o  259.044   41.856   71.296   41.902  301.913   93.935   14.010   46.817  383.456   62.774  134.632   55.381 248.8241 83.71195 
1 1 1    9   10   19 o  424.354   59.609  405.530   95.049  471.628  126.368  319.416  144.238  475.986   68.032  372.722   97.902 103.2640 119.2188 
1 1 1    9   10   20 o  177.028   48.968   42.069   43.051   62.798   88.724   35.686   49.235  200.585   78.337  153.470   58.778 47.11504 97.93673 
1 1 1    9   10   21 o  324.148   60.804  242.802   78.282  255.741  109.522  229.287  111.932  333.890   84.100  314.406   87.839 19.48410 121.6084 
1 1 1    9   10   22 o  315.982   47.767  242.347   38.893  250.520   41.418  181.399  113.109  354.679   29.924  277.284   90.725 77.39465 95.53310 
1 1 1    9   10   23 o  295.035   45.348  250.619   37.349  271.537   39.805   96.597  108.011  369.195   27.628  220.874   86.386 148.3210 90.69626 
1 1 1    9   10   24 o  145.144   37.178   37.671   16.611   39.201   17.029   7.6515   75.425  136.798   32.399  153.489   66.927 -16.69087 74.35674 
1 1 1    9   10   25 o  135.128   39.990   21.039   13.993   21.072   14.163   19.662   90.525  102.143   31.972  168.113   73.312 -65.96972 79.98013 
1 1 1    9   10   26 o  148.403   39.713   38.927   18.055   40.724   18.387  -9.4270   95.394  138.598   34.204  158.208   71.684 -19.61095 79.42651 
1 1 1    9   10   27 o  213.797   42.947  122.334   28.511  129.450   29.244 -14.1283  128.070  252.851   29.638  174.742   80.620 78.10910 85.89496 
1 1 1    9   10   28 o  302.602   30.448  186.593   35.955  186.593   35.955   0.0000   0.0000  302.602   30.448  ?   ?       ?      ? 
1 1 1    9   10   29 o  185.395   35.591   73.773   24.814   73.773   24.814   0.0000   0.0000  185.395   35.591  ?   ?       ?      ? 
1 1 1    9   10   30 o  194.991   47.685   89.391   28.526   91.028   28.958   35.748  165.807  204.366   37.699  185.617   87.602 18.74966 95.36954 
1 1 1    9   10   31 o  202.833   52.233  126.116   60.086  152.425   63.575 -94.0798  183.923  240.799   65.788  164.868   81.149 75.93082 104.4660 
1 1 1    9   10   32 o  113.538   39.230   4.2504   19.525   7.3465   19.693 -174.7075  149.722   86.738   35.825  140.339   69.804 -53.60076 78.46024 
1 1 1    9   10   33 f  191.279   46.428   90.285   31.234   90.594   32.291   85.792  123.105  199.218   42.810  183.340   82.400 15.87849 92.85681 
1 1 1    9   11    0 o  368.492   88.770  298.647  126.137  298.647  126.137   0.0000   0.0000  368.492   88.770  ?   ?       ?      ? 
1 1 1    9   11    1 o  202.264   64.886   82.490   58.025   82.490   58.025   0.0000   0.0000  202.264   64.886  ?   ?       ?      ? 
1 1 1    9   11    2 o  490.316   72.746  538.662  134.752  521.148  189.288  556.658  191.876  481.487  103.798  499.145  101.952 -17.65762 145.4927 
1 1 1    9   11    3 o  217.137   47.655   96.752   44.697  105.878   63.495   87.789   62.929  225.412   67.155  208.861   67.633 16.55090 95.30980 
1 1 1    9   11    4 o  528.924   63.624  602.733  120.267  607.347  147.944  593.742  206.511  543.833   69.711  514.016  106.455 29.81671 127.2486 
1 1 1    9   11    5 o  580.810   60.797  673.732  129.264  610.606  154.975  818.060  234.334  544.287   72.963  617.332   97.271 -73.04510 121.5949 
1 1 1    9   11    6 o  557.353   66.365  683.402  131.531  716.633  162.983  621.336  222.737  591.011   70.667  523.696  112.355 67.31458 132.7303 
1 1 1    9   11    7 o  298.683   50.564  190.190   55.782  192.945   68.186  184.613   96.998  304.243   59.563  293.124   81.726 11.11868 101.1281 
1 1 1    9   11    8 o  314.227   50.797  215.830   59.792  238.255   73.528  172.047  102.739  344.324   54.721  284.129   85.599 60.19495 101.5947 
1 1 1    9   11    9 o  728.785   72.799  1108.35  193.179  1042.61  232.213  1256.11  348.123  706.383   84.239  751.188  118.755 -44.80493 145.5990 
1 1 1    9   11   10 o  812.317   63.203  1387.94  200.074  1294.53  276.234  1491.03  290.175  782.931   90.411  841.703   88.342 -58.77234 126.4062 
1 1 1    9   11   11 o  358.668   43.986  267.916   59.390  310.984   82.811  222.307   85.220  393.361   53.947  323.974   69.490 69.38687 87.97202 
1 1 1    9   11   12 o  363.047   50.002  271.135   64.515  263.587   77.540  288.112  116.294  361.726   54.931  364.368   83.567 -2.642090 100.0039 
1 1 1    9   11   13 o  448.334   60.390  446.953   96.443  480.257  118.690  382.229  165.462  485.521   62.643  411.147  103.266 74.37375 120.7810 
1 1 1    9   11   14 o  146.326   38.229   29.558   24.992   23.291   28.356   51.368   52.899  121.521   45.022  171.132   61.796 -49.61078 76.45766 
1 1 1    9   11   15 o  412.477   56.669  344.986   91.218  344.986   91.218   0.0000   0.0000  412.477   56.669  ?   ?       ?      ? 
1 1 1    9   11   16 o  265.013   50.249  153.983   52.074  166.359   64.343  130.488   88.656  280.656   60.528  249.369   80.226 31.28703 100.4984 
1 1 1    9   11   17 o  148.335   40.355   31.812   32.168   34.010   40.391   28.000   53.191  144.829   53.718  151.841   60.236 -7.011703 80.70945 
1 1 1    9   11   18 o  238.438   49.555  122.788   49.652  140.288   65.804   99.652   75.661  255.621   65.629  221.256   74.267 34.36481 99.11028 
1 1 1    9   11   19 o  364.213   55.872  298.511   78.790  368.557  107.011  215.579  116.437  420.496   65.213  307.930   90.742 112.5658 111.7449 
1 1 1    9   11   20 o  190.398   48.453   34.032   42.004  142.645   89.139   3.0301   47.623  253.933   80.314  126.864   54.226 127.0691 96.90584 
1 1 1    9   11   21 o  250.247   61.016  137.333   69.668  144.926  120.909  133.558   85.241  256.208   93.286  244.286   78.674 11.92244 122.0325 
1 1 1    9   11   22 o  150.318   45.706   16.089   43.649 -43.5756   97.625   30.996   48.798  153.854   70.766  146.782   57.864 7.071976 91.41139 
1 1 1    9   11   23 o  150.367   35.137   47.875   18.208   51.626   18.931   1.5922   66.498  157.559   31.884  143.175   62.624 14.38336 70.27386 
1 1 1    9   11   24 o  320.907   49.278  306.842   42.643  327.416   45.133  135.686  130.179  403.743   28.646  238.071   94.300 165.6720 98.55508 
1 1 1    9   11   25 o  227.504   41.641  147.970   31.335  160.594   32.690   5.0414  109.997  282.017   29.704  172.991   77.805 109.0262 83.28242 
1 1 1    9   11   26 o  262.005   28.528  138.495   29.168  138.495   29.168   0.0000   0.0000  262.005   28.528  ?   ?       ?      ? 
1 1 1    9   11   27 o  336.980   29.297  230.237   38.527  230.237   38.527   0.0000   0.0000  336.980   29.297  ?   ?       ?      ? 
1 1 1    9   11   28 o  216.616   44.345  127.821   29.343  133.672   29.935 -15.7091  148.266  255.796   29.989  177.437   83.465 78.35947 88.68926 
1 1 1    9   11   29 o  179.199   43.327   70.559   23.956   71.734   24.525   46.115  111.866  182.161   35.776  176.236   78.924 5.923996 86.65415 
1 1 1    9   11   30 o  218.942   40.013  148.746   30.591  160.103   31.730  -1.0443  115.232  278.547   29.190  159.338   74.511 119.2089 80.02500 
1 1 1    9   11   31 o  230.194   51.153  174.320   62.730  215.570   70.097   8.4377  140.570  290.909   63.527  169.479   80.192 121.4293 102.3055 
1 1 1    9   11   32 o  198.492   41.341  116.970   34.361  128.814   35.476 -62.6520  138.155  244.880   37.124  152.105   73.879 92.77415 82.68198 
1 1 1    9   11   33 o  160.847   50.221   50.465   59.906   62.856   69.742   15.592  116.999  162.971   67.373  158.723   74.496 4.247620 100.4428 
1 1 1    9   12    0 o  390.995   64.406  334.919   96.445  333.333  136.355  336.507  136.433  389.997   91.219  391.993   90.947 -1.995117 128.8112 
1 1 1    9   12    1 o  313.535   57.909  212.374   71.630  217.172  101.555  207.623  101.049  317.057   81.600  310.013   82.191 7.044525 115.8189 
1 1 1    9   12    2 o  324.788   58.595  228.084   74.602  210.788  104.516  246.047  106.517  312.099   83.973  337.478   81.745 -25.37906 117.1909 
1 1 1    9   12    3 o  155.709   38.738   43.058   29.396   51.496   41.589   34.634   41.554  164.289   55.062  147.130   54.503 17.15910 77.47571 
1 1 1    9   12    4 o  280.190   77.442  167.660   87.499  167.660   87.499   0.0000   0.0000  280.190   77.442  ?   ?       ?      ? 
1 1 1    9   12    5 o   86.684   34.724   7.2130   17.845   7.2130   17.845   0.0000   0.0000   86.684   34.724  ?   ?       ?      ? 
1 1 1    9   12    6 o  484.629   66.151  478.294  125.105  478.294  125.105   0.0000   0.0000  484.629   66.151  ?   ?       ?      ? 
1 1 1    9   12    7 o  451.945   63.950  414.826  112.786  414.826  112.786   0.0000   0.0000  451.945   63.950  ?   ?       ?      ? 
1 1 1    9   12    8 o  539.803   69.106  595.917  145.574  595.917  145.574   0.0000   0.0000  539.803   69.106  ?   ?       ?      ? 
1 1 1    9   12    9 o  175.292   52.094   62.577   38.244   62.577   38.244   0.0000   0.0000  175.292   52.094  ?   ?       ?      ? 
1 1 1    9   12   10 o  152.449   40.180   36.575   27.118   37.752   30.071   31.451   62.753  140.857   46.813  164.041   65.315 -23.18393 80.35907 
1 1 1    9   12   11 o  1117.54  120.027  3152.48  471.497  3079.60  574.653  3302.60  824.787  1157.27  127.244  1077.81  203.556 79.46204 240.0549 
1 1 1    9   12   12 o  625.202   70.194  872.496  155.247  909.626  191.901  802.166  264.107  662.171   74.263  588.234  119.138 73.93707 140.3881 
1 1 1    9   12   13 o  495.683   62.496  527.463  109.177  521.917  131.805  539.587  194.868  503.899   67.028  487.467  105.500 16.43170 124.9923 
1 1 1    9   12   14 o  203.655   47.441   83.986   41.141   91.237   47.521   62.289   82.205  208.650   56.826  198.661   75.982 9.989624 94.88131 
1 1 1    9   12   15 o  508.450   68.896  534.866  136.701  534.866  136.701   0.0000   0.0000  508.450   68.896  ?   ?       ?      ? 
1 1 1    9   12   16 o  400.806   59.284  370.227   86.943  419.692  107.903  278.672  146.801  452.663   61.084  348.948  101.622 103.7155 118.5679 
1 1 1    9   12   17 o  177.797   43.266   59.238   39.192   88.700   49.348   8.9118   64.496  205.380   58.658  150.215   63.617 55.16470 86.53286 
1 1 1    9   12   18 f  131.202   39.270   3.8537   34.803  -8.4308   46.911   18.893   51.905  119.253   52.368  143.151   58.532 -23.89870 78.53961 
1 1 1    9   12   19 o  298.139   57.553  203.009   69.529  231.793   95.201  170.105  101.788  321.812   76.863  274.466   85.681 47.34579 115.1050 
1 1 1    9   12   20 o  345.775   61.243  277.825   83.596  353.047  122.700  212.663  114.201  391.908   82.821  299.641   90.242 92.26733 122.4867 
1 1 1    9   12   21 o  178.808   50.937   38.316   47.958   81.292   97.511   24.604   55.079  209.832   82.076  147.785   60.346 62.04762 101.8732 
1 1 1    9   12   22 o  121.986   42.017 -33.3518   32.520 -61.1828  112.064 -30.7927   33.982  157.980   73.745   85.992   40.292 71.98817 84.03419 
1 1 1    9   12   23 o  217.524   85.572  102.119  106.512  102.119  106.512   0.0000   0.0000  217.524   85.572  ?   ?       ?      ? 
1 1 1    9   12   24 o  291.181   31.233  171.685   35.490  171.685   35.490   0.0000   0.0000  291.181   31.233  ?   ?       ?      ? 
1 1 1    9   12   25 o  302.652   92.669  254.117  119.722  254.117  119.722   0.0000   0.0000  302.652   92.669  ?   ?       ?      ? 
1 1 1    9   12   26 o  158.340   38.367   54.706   19.968   58.584   20.402 -33.4992   97.310  166.894   32.495  149.786   69.515 17.10812 76.73480 
1 1 1    9   12   27 o  211.062   42.216  119.939   29.416  127.439   30.421   11.938  115.442  249.585   31.233  172.540   78.443 77.04488 84.43204 
1 1 1    9   12   28 o  230.716   30.923  109.651   27.841  109.651   27.841   0.0000   0.0000  230.716   30.923  ?   ?       ?      ? 
1 1 1    9   12   29 o  180.186   38.746   85.622   24.681   91.710   25.312 -31.8587  111.198  210.330   30.839  150.042   71.091 60.28748 77.49129 
1 1 1    9   12   30 o  125.204   38.849   17.847   15.784   17.786   16.031   19.765   90.243   96.173   34.097  154.236   69.818 -58.06263 77.69884 
1 1 1    9   12   31 o  139.836   38.784   39.427   21.340   43.159   21.806 -45.1729  103.816  139.065   38.741  140.607   67.200 -1.541229 77.56779 
1 1 1    9   12   32 o  151.378   72.124 -20.0547  117.657   0.0000   0.0000 -20.0547  117.657  ?   ?   151.378   72.124      ?      ? 
1 1 1    9   13    0 o  624.181   84.307  885.977  197.868  888.555  280.119  883.409  279.536  625.146  119.173  623.217  119.284 1.929077 168.6148 
1 1 1    9   13    1 o  636.991   85.540  925.496  204.856  911.297  288.614  939.913  290.818  631.551  121.517  642.432  120.426 -10.88025 171.0810 
1 1 1    9   13    2 o  429.145   67.021  403.647  109.300  437.553  156.818  371.616  152.422  447.925   92.766  410.365   96.756 37.55991 134.0420 
1 1 1    9   13    3 o  328.372   52.131  232.400   63.370  242.094   79.476  215.479  105.001  341.016   62.005  315.729   83.820 25.28766 104.2610 
1 1 1    9   13    4 o  355.212   60.828  273.234   83.575  243.363  115.889  305.605  120.641  334.384   87.718  376.040   84.295 -41.65573 121.6560 
1 1 1    9   13    5 o  972.284  125.426  2425.21  465.115  2700.16  683.528  2188.12  634.725  1036.59  168.972  907.974  185.405 128.6209 250.8518 
1 1 1    9   13    6 f  519.469   56.862  532.826  108.305  482.367  129.985  647.391  195.863  485.689   68.581  553.250   90.719 -67.56061 113.7250 
1 1 1    9   13    7 o  712.086   71.877  1065.30  186.867  1010.42  225.571  1185.33  333.623  695.084   83.160  729.088  117.258 -34.00317 143.7536 
1 1 1    9   13    8 o  521.476   66.209  555.430  134.737  555.430  134.737   0.0000   0.0000  521.476   66.209  ?   ?       ?      ? 
1 1 1    9   13    9 o  568.540   68.061  709.526  136.893  723.696  167.586  681.111  237.311  592.097   72.529  544.983  115.189 47.11481 136.1210 
1 1 1    9   13   10 o  343.462   46.722  248.495   59.889  248.061   79.623  249.060   90.882  344.672   61.451  342.251   70.395 2.421082 93.44359 
1 1 1    9   13   11 o  250.556   47.270  131.830   45.136  130.235   54.993  135.121   79.008  248.817   57.749  252.295   74.853 -3.477478 94.54021 
1 1 1    9   13   12 o  315.553   64.133  222.567   83.523  245.885  109.382  189.957  129.352  334.775   83.894  296.332   97.025 38.44244 128.2655 
1 1 1    9   13   13 o  532.834   69.657  587.557  144.839  587.557  144.839   0.0000   0.0000  532.834   69.657  ?   ?       ?      ? 
1 1 1    9   13   14 o  120.994   38.143   1.7187   21.109   2.2275   22.029  -3.9942   73.813   88.792   37.368  153.196   66.508 -64.40370 76.28682 
1 1 1    9   13   15 o  201.932   50.109   75.439   43.385   75.473   49.156   75.318   92.289  191.790   59.488  212.073   80.652 -20.28235 100.2174 
1 1 1    9   13   16 o  710.212   85.319  1089.06  236.464  1089.06  236.464   0.0000   0.0000  710.212   85.319  ?   ?       ?      ? 
1 1 1    9   13   17 o  183.264   46.955   61.641   44.432   83.320   54.477   18.568   76.789  200.067   62.719  166.460   69.896 33.60623 93.91045 
1 1 1    9   13   18 o   97.336   33.026 -67.4486   35.971 -34.0102   42.637 -150.0234   67.002   99.036   45.981   95.636   47.421 3.399895 66.05279 
1 1 1    9   13   19 o  338.714  103.979  286.881  150.618  286.881  150.618   0.0000   0.0000  338.714  103.979  ?   ?       ?      ? 
1 1 1    9   13   20 o  168.678   74.156   2.1087   94.300   2.1087   94.300   0.0000   0.0000  168.678   74.156  ?   ?       ?      ? 
1 1 1    9   13   21 o  187.976   83.212   13.335  120.713   13.335  120.713   0.0000   0.0000  187.976   83.212  ?   ?       ?      ? 
1 1 1    9   13   22 o  202.145   86.877   55.702  123.443   55.702  123.443   0.0000   0.0000  202.145   86.877  ?   ?       ?      ? 
1 1 1    9   13   23 o  303.768   71.088  243.289   95.115  362.153  162.333  181.148  117.373  347.223  108.172  260.313   92.265 86.91025 142.1759 
1 1 1    9   13   24 o  333.988   61.754  307.629   82.976  348.443  105.751  242.249  133.843  379.014   74.154  288.961   98.769 90.05353 123.5078 
1 1 1    9   13   25 o  117.125   33.137   22.714   14.293   25.796   14.578 -53.8863   72.678  111.120   31.927  123.131   58.077 -12.01104 66.27454 
1 1 1    9   13   26 o  176.320   38.566   75.518   23.459   81.328   24.156 -20.7874   98.347  199.597   31.013  153.043   70.622 46.55377 77.13181 
1 1 1    9   13   27 o  188.349   40.217   91.689   25.267   97.472   25.884 -25.3993  116.474  217.939   30.434  158.759   74.454 59.18004 80.43368 
1 1 1    9   13   28 o  156.157   36.820   53.489   22.072   53.489   22.072   0.0000   0.0000  156.157   36.820  ?   ?       ?      ? 
1 1 1    9   13   29 o  138.376   41.173   27.695   16.967   27.771   17.190   24.805  105.824  113.850   35.156  162.902   74.463 -49.05150 82.34514 
1 1 1    9   13   30 o  152.820   49.382   13.190   52.274   0.3941   58.161   66.979  119.244  125.608   56.528  180.032   80.988 -54.42365 98.76407 
1 1 1    9   13   31 o  133.592   66.115 -141.9737  127.981   0.0000   0.0000 -141.9737  127.981  ?   ?   133.592   66.115      ?      ? 
1 1 1    9   14    0 o  675.526  127.123  1057.12  322.820   0.0000   0.0000  1057.12  322.820  ?   ?   675.526  127.123      ?      ? 
1 1 1    9   14    1 o  897.612  168.630  2051.18  568.994   0.0000   0.0000  2051.18  568.994  ?   ?   897.612  168.630      ?      ? 
1 1 1    9   14    2 o  610.708   69.732  819.251  152.268  844.399  189.113  772.894  256.758  639.104   75.826  582.311  117.049 56.79340 139.4633 
1 1 1    9   14    3 o  859.431   91.273  1725.23  278.542  1800.45  347.261  1589.51  466.432  916.584   97.085  802.278  154.587 114.3062 182.5452 
1 1 1    9   14    4 o  649.481   83.559  948.290  206.652  829.547  281.974  1086.07  303.738  597.096  125.022  701.866  110.895 -104.7700 167.1176 
1 1 1    9   14    5 o  141.822   39.625   21.292   29.844   37.074   55.784   14.964   35.324  161.886   62.422  121.759   48.826 40.12746 79.24973 
1 1 1    9   14    6 o  593.204   61.865  699.197  133.736  624.551  159.368  876.897  245.891  549.349   74.340  637.060   98.908 -87.71100 123.7305 
1 1 1    9   14    7 o  493.505   54.974  466.001   98.896  398.853  117.322  630.846  183.821  440.755   68.210  546.256   86.232 -105.5013 109.9479 
1 1 1    9   14    8 o  712.735   82.623  1069.07  229.805  1069.07  229.805   0.0000   0.0000  712.735   82.623  ?   ?       ?      ? 
1 1 1    9   14    9 o  519.839   68.754  556.706  139.476  556.706  139.476   0.0000   0.0000  519.839   68.754  ?   ?       ?      ? 
1 1 1    9   14   10 o  275.032   60.429  159.588   63.086  159.588   63.086   0.0000   0.0000  275.032   60.429  ?   ?       ?      ? 
1 1 1    9   14   11 f  605.561   73.694  763.805  174.149  763.805  174.149   0.0000   0.0000  605.561   73.694  ?   ?       ?      ? 
1 1 1    9   14   12 o  447.355   59.311  407.984  103.542  407.984  103.542   0.0000   0.0000  447.355   59.311  ?   ?       ?      ? 
1 1 1    9   14   13 o  284.892   61.601  172.016   66.491  172.016   66.491   0.0000   0.0000  284.892   61.601  ?   ?       ?      ? 
1 1 1    9   14   14 o   83.452   38.258 -19.2484   28.214 -19.2484   28.214   0.0000   0.0000   83.452   38.258  ?   ?       ?      ? 
1 1 1    9   14   15 o  577.745  123.680  818.544  270.432  818.544  270.432   0.0000   0.0000  577.745  123.680  ?   ?       ?      ? 
1 1 1    9   14   16 o  278.967   65.447  166.248   82.466  130.219  106.761  219.543  129.848  249.589   88.045  308.345   96.858 -58.75641 130.8942 
1 1 1    9   14   17 o  404.263  108.237  405.191  174.151  405.191  174.151   0.0000   0.0000  404.263  108.237  ?   ?       ?      ? 
1 1 1    9   14   18 o  523.543   75.049  602.183  153.331  602.183  153.331   0.0000   0.0000  523.543   75.049  ?   ?       ?      ? 
1 1 1    9   14   19 o  214.001   55.369   95.389   60.772  110.223   81.090   76.382   91.789  223.643   76.866  204.359   79.716 19.28464 110.7384 
1 1 1    9   14   20 o  329.918   72.677  298.716  113.427  164.276  167.996  411.346  153.766  262.468  106.046  397.369   99.408 -134.9015 145.3540 
1 1 1    9   14   21 o  154.984   48.489   5.0036   53.068   6.4959   99.429   4.4092   62.754  169.743   75.312  140.225   61.098 29.51740 96.97872 
1 1 1    9   14   22 o  303.350   76.334  274.339  110.129  294.354  198.457  265.433  132.383  299.461  117.103  307.240   97.950 -7.778809 152.6671 
1 1 1    9   14   23 o  142.530   47.792 -42.8907   47.402   21.397  123.305 -54.0390   51.348  184.960   82.844  100.100   47.680 84.85979 95.58467 
1 1 1    9   14   24 o  150.843   46.951   5.9697   54.055 -16.5908   75.237   30.040   77.714  139.222   63.307  162.464   69.352 -23.24217 93.90186 
1 1 1    9   14   25 o  137.413   43.459 -12.1635   47.128 -40.1418   60.430   31.269   75.292  114.865   53.792  159.962   68.273 -45.09615 86.91824 
1 1 1    9   14   26 o  112.662   33.295   19.079   12.479   21.128   12.631 -64.7721   80.814  100.720   29.939  124.604   59.479 -23.88444 66.58936 
1 1 1    9   14   27 f  128.486   42.215 -47.9799   51.848   30.077   79.032 -106.9584   68.698  155.734   68.190  101.239   49.785 54.49453 84.43015 
1 1 1    9   14   29 o  158.916   43.390   49.243   21.145   50.311   21.420   8.5134  132.278  150.883   36.725  166.949   78.625 -16.06584 86.77902 
1 1 1    9   14   30 o  113.271   39.689 -57.2721   45.802 -32.9501   48.079 -296.0309  150.637  100.351   47.303  126.191   63.745 -25.84041 79.37856 
1 1 1    9   14   31 o  195.479   42.526  109.523   28.699  114.844   28.981 -159.9862  206.274  233.477   31.808  157.481   78.879 75.99593 85.05118 
1 1 1    9   15    0 o  226.465   49.457  106.116   48.160   99.228   67.838  113.115   68.383  220.322   70.104  232.607   69.781 -12.28485 98.91376 
1 1 1    9   15    1 o  521.115   75.340  611.339  148.020  660.973  213.022  565.001  205.828  543.533  104.223  498.696  108.822 44.83707 150.6803 
1 1 1    9   15    2 o  241.642   45.808  125.945   44.781  149.746   59.255   94.249   68.380  267.113   58.468  216.171   70.533 50.94217 91.61551 
1 1 1    9   15    3 o  659.556   74.554  976.156  175.170  1007.34  217.281  918.249  296.067  693.623   80.272  625.490  125.655 68.13306 149.1071 
1 1 1    9   15    4 o  293.655   51.811  186.408   57.944  192.589   72.936  175.830   95.408  302.020   63.879  285.291   81.590 16.72916 103.6212 
1 1 1    9   15    5 o  462.046   73.063  482.226  128.402  486.035  184.087  478.618  179.189  463.277  104.333  460.816  102.311 2.461456 146.1262 
1 1 1    9   15    6 o  195.716   43.380   72.110   33.845   63.958   39.685   93.857   64.817  176.979   53.174  214.454   68.556 -37.47456 86.76059 
1 1 1    9   15    7 o  607.478   85.924  863.487  196.501  790.414  272.435  942.724  283.695  577.466  124.554  637.489  118.396 -60.02319 171.8470 
1 1 1    9   15    8 o  112.343   48.825  -4.8700   39.866  -4.8700   39.866   0.0000   0.0000  112.343   48.825  ?   ?       ?      ? 
1 1 1    9   15    9 o  155.238   45.033   7.8397   40.421 -11.5773   47.681   57.441   76.208  119.014   52.510  191.462   73.175 -72.44831 90.06607 
1 1 1    9   15   10 o  464.516   50.534  441.507   89.815  414.484  114.828  484.093  144.149  448.742   65.572  480.289   76.909 -31.54694 101.0679 
1 1 1    9   15   11 o  153.904   43.454   34.549   28.421   40.593   29.727 -29.7676   96.971  143.895   46.473  163.912   73.438 -20.01778 86.90710 
1 1 1    9   15   12 f  575.742   66.544  690.734  129.266  642.093  150.018  830.971  254.726  555.578   69.193  595.906  113.686 -40.32813 133.0875 
1 1 1    9   15   13 o  196.974   53.339   56.008   39.356   53.661   41.521   76.758  123.475  165.491   55.008  228.457   91.402 -62.96587 106.6784 
1 1 1    9   15   14 o  443.586   66.095  424.301   99.413  402.829  114.586  489.658  199.911  438.850   66.909  448.321  114.006 -9.471039 132.1901 
1 1 1    9   15   15 f  748.070   90.838  1254.32  265.179  1254.32  265.179   0.0000   0.0000  748.070   90.838  ?   ?       ?      ? 
1 1 1    9   15   16 o  420.248   69.006  420.623  104.627  423.817  123.617  412.557  196.454  443.426   71.437  397.070  118.085 46.35672 138.0116 
1 1 1    9   15   17 o  169.305   50.562   29.936   48.647   36.827   53.894  -0.3751  113.035  156.341   61.055  182.270   80.612 -25.92821 101.1244 
1 1 1    9   15   18 o  232.414   57.124  122.837   62.986  136.665   76.925   94.708  109.714  243.872   74.203  220.956   86.872 22.91579 114.2489 
1 1 1    9   15   19 o  318.508   74.535  279.298  107.616  278.634  161.671  279.826  144.207  315.337  108.526  321.679  102.196 -6.341736 149.0702 
1 1 1    9   15   20 o  193.012   56.017   61.330   68.387   86.055   94.351   33.965   99.263  205.145   80.591  180.879   77.825 24.26616 112.0339 
1 1 1    9   15   21 o  153.532   49.336 -14.4716   62.368  -8.8544  102.498 -17.7741   78.593  164.087   74.331  142.976   64.895 21.11067 98.67284 
1 1 1    9   15   22 o  228.134   61.608  109.829   75.699  207.221  126.035   54.869   94.678  271.182   95.663  185.086   77.659 86.09549 123.2166 
1 1 1    9   15   23 o  137.798   45.657 -38.4124   56.868 -55.4384  104.915 -31.3287   67.672  149.100   70.159  126.496   58.446 22.60425 91.31378 
1 1 1    9   15   24 o  185.730   55.087   28.322   68.261  148.503  113.849 -39.1297   85.291  233.372   89.380  138.089   64.418 95.28381 110.1747 
1 1 1    9   15   25 o  156.432   48.219   23.591   56.234   46.673   73.267  -9.4984   87.725  164.907   68.686  147.957   67.694 16.95056 96.43748 
1 1 1    9   15   26 o  156.185   52.555 -43.4965   70.090   75.576  145.885 -79.2302   79.918  194.078   88.214  118.293   57.153 75.78510 105.1100 
1 1 1    9   15   27 o  208.435   64.818  137.959  105.609   47.422  203.622  171.276  123.521  192.203   92.450  224.667   90.876 -32.46465 129.6362 
1 1 1    9   15   28 o  242.293   51.687  187.478   66.378  257.452   80.422   37.938  117.568  313.964   67.636  170.623   78.175 143.3404 103.3731 
1 1 1    9   15   29 o  150.610   42.115   42.646   19.935   43.853   20.190  -4.3333  125.950  140.738   36.465  160.483   75.927 -19.74586 84.22953 
1 1 1    9   15   30 o  157.478   61.927   10.443   53.415   57.756   55.763 -516.0513  186.019  157.478   61.927  ?   ?       ?      ? 
1 1 1    9   16    0 o  351.905   67.803  262.285   89.735  262.285   89.735   0.0000   0.0000  351.905   67.803  ?   ?       ?      ? 
1 1 1    9   16    1 o  193.996   44.599   74.921   39.301   91.791   54.217   56.241   57.051  209.977   61.932  178.016   64.192 31.96068 89.19759 
1 1 1    9   16    2 o  468.061   61.474  480.077  105.576  502.094  134.036  444.091  171.360  492.997   69.670  443.124  101.303 49.87387 122.9477 
1 1 1    9   16    3 o  596.905   79.468  803.307  180.635  681.281  244.356  950.335  268.224  538.442  119.421  655.369  104.877 -116.9277 158.9351 
1 1 1    9   16    4 o  287.976   57.426  179.927   67.221  173.818   92.067  186.902   98.376  283.133   79.863  292.820   82.540 -9.687347 114.8520 
1 1 1    9   16    5 o  428.718  102.473  418.620  169.110   0.0000   0.0000  418.620  169.110  ?   ?   428.718  102.473      ?      ? 
1 1 1    9   16    6 o  554.277   78.834  701.675  164.223  608.044  221.613  815.715  244.576  510.628  114.088  597.926  108.827 -87.29767 157.6687 
1 1 1    9   16    7 o  381.076   67.476  326.845   99.807  323.533  134.834  330.861  148.442  380.478   91.854  381.675   98.869 -1.197083 134.9527 
1 1 1    9   16    8 o  448.578   66.031  414.893  115.590  414.893  115.590   0.0000   0.0000  448.578   66.031  ?   ?       ?      ? 
1 1 1    9   16    9 o  448.734   65.256  449.663  102.258  457.534  121.278  430.304  190.199  470.682   66.027  426.786  112.577 43.89514 130.5115 
1 1 1    9   16   10 o  199.685   50.558   49.256   33.638   39.847   35.512  131.406  104.934  146.735   50.842  252.635   87.405 -105.9001 101.1168 
1 1 1    9   16   11 o  512.070   53.759  537.016  103.430  490.514  127.847  625.110  175.966  485.317   67.504  538.823   83.686 -53.50537 107.5180 
1 1 1    9   16   12 o  454.920   66.662  397.114   92.382  355.235  101.389  601.889  224.196  413.897   62.772  495.942  117.622 -82.04489 133.3243 
1 1 1    9   16   13 o  260.542   60.947  150.029   61.659  160.316   66.219   82.972  169.072  272.241   63.496  248.844  104.051 23.39699 121.8946 
1 1 1    9   16   14 o  161.199   50.735   18.086   35.404   21.361   36.518 -33.1659  144.458  127.718   50.149  194.681   88.211 -66.96223 101.4701 
1 1 1    9   16   15 o  204.453   57.192   62.864   47.742   60.087   50.578   85.563  144.614  174.485   60.664  234.421   96.972 -59.93628 114.3842 
1 1 1    9   16   16 o  138.611   46.363 -29.9021   36.894 -32.8160   38.824  -2.7602  118.492   93.187   43.468  184.035   81.906 -90.84821 92.72605 
1 1 1    9   16   17 o  240.321   61.923  112.695   64.419   93.047   72.517  186.223  140.285  207.477   72.611  273.164  100.327 -65.68686 123.8459 
1 1 1    9   16   18 o  432.354   88.868  582.588  159.676  614.920  219.292  546.099  232.960  454.387  121.372  410.322  129.843 44.06458 177.7364 
1 1 1    9   16   19 f  308.314   70.445  251.654  105.651  409.506  156.759  120.274  143.012  383.432  102.703  233.196   96.447 150.2363 140.8896 
1 1 1    9   16   20 o  280.605  101.820  228.291  143.863   0.0000   0.0000  228.291  143.863  ?   ?   280.605  101.820      ?      ? 
1 1 1    9   16   21 o  167.338   54.952 -28.3708   81.263  -9.3925  140.103 -37.9926   99.758  183.283   84.477  151.392   70.303 31.89157 109.9039 
1 1 1    9   16   22 o  166.674   76.121  -8.3777  110.285   0.0000   0.0000  -8.3777  110.285  ?   ?   166.674   76.121      ?      ? 
1 1 1    9   16   23 o  185.746   57.161   39.853   77.968  103.177  118.471  -8.5296  103.555  210.735   87.521  160.757   73.550 49.97841 114.3214 
1 1 1    9   16   24 o  240.600   66.678  170.907   92.961  244.716  137.854  109.351  125.892  271.922   99.517  209.277   88.769 62.64536 133.3552 
1 1 1    9   16   25 f  180.739   54.398   48.097   74.214 -54.0766  108.695  137.324  101.576  144.847   69.097  216.632   84.036 -71.78525 108.7957 
1 1 1    9   16   26 o  125.116   41.035 -55.7560   54.225   30.807   68.890 -196.7313   87.915  149.185   64.509  101.047   50.736 48.13786 82.07035 
1 1 1    9   16   27 o  116.035   55.430 -52.7442   70.457 -52.7442   70.457   0.0000   0.0000  116.035   55.430  ?   ?       ?      ? 
1 1 1    9   16   28 o  160.040   38.066   66.384   24.109   73.620   24.533 -137.7535  130.304  183.711   35.504  136.369   67.345 47.34259 76.13113 
1 1 1    9   16   29 o  122.292   38.928   20.119   15.733   21.914   15.833 -120.7042  140.238  102.628   33.961  141.956   70.059 -39.32751 77.85690 
1 1 1    9   17    0 o  595.558   77.289  744.939  179.628  744.939  179.628   0.0000   0.0000  595.558   77.289  ?   ?       ?      ? 
1 1 1    9   17    1 o  426.995   59.348  412.574   94.650  505.468  125.862  291.660  143.594  495.716   65.062  358.275   99.276 137.4411 118.6965 
1 1 1    9   17    2 o  231.349   51.605  110.132   50.846  106.132   64.015  116.968   83.691  224.829   67.531  237.869   78.051 -13.03993 103.2101 
1 1 1    9   17    3 o  210.077   50.069   88.132   48.624   96.045   64.287   77.553   74.331  215.712   68.203  204.441   73.321 11.27116 100.1377 
1 1 1    9   17    4 o  737.676   83.752  1267.01  218.896  1280.37  269.297  1241.00  375.797  770.602   89.551  704.750  141.557 65.85284 167.5048 
1 1 1    9   17    5 o  601.199   87.545  857.198  198.244  1018.16  295.348  725.213  267.444  657.302  119.547  545.096  127.925 112.2059 175.0893 
1 1 1    9   17    6 o  367.084   60.398  282.069   79.818  253.137   95.594  348.679  145.047  342.090   73.777  392.078   95.650 -49.98752 120.7969 
1 1 1    9   17    7 o  480.031   68.525  479.231  128.366  479.231  128.366   0.0000   0.0000  480.031   68.525  ?   ?       ?      ? 
1 1 1    9   17    8 o  381.353   68.639  310.583   98.391  310.583   98.391   0.0000   0.0000  381.353   68.639  ?   ?       ?      ? 
1 1 1    9   17    9 o  532.000   71.030  618.614  128.052  587.334  149.076  706.648  250.093  527.815   72.376  536.184  122.240 -8.369385 142.0591 
1 1 1    9   17   10 o  199.980   53.609   65.009   39.947   66.122   41.912   53.968  131.995  178.942   54.836  221.018   92.135 -42.07523 107.2190 
1 1 1    9   17   11 o  355.841   61.897  241.032   71.590  204.763   79.601  394.498  163.742  306.235   68.342  405.447  103.220 -99.21185 123.7940 
1 1 1    9   17   12 o  432.546   75.974  397.559  101.236  367.377  109.998  564.697  258.849  415.559   67.830  449.534  135.969 -33.97534 151.9489 
1 1 1    9   17   13 o  252.843   65.854   98.898   53.739   88.095   56.056  221.552  188.887  202.953   63.621  302.733  115.322 -99.78059 131.7072 
1 1 1    9   17   14 o  444.532   72.599  409.553  100.953  352.552  111.316  673.648  239.605  394.687   75.015  494.377  124.320 -99.68936 145.1988 
1 1 1    9   17   15 o  860.918  116.854  1982.41  392.588  1982.41  392.588   0.0000   0.0000  860.918  116.854  ?   ?       ?      ? 
1 1 1    9   17   16 o  279.867   68.241  167.533   75.652  139.273   84.194  285.974  172.364  242.809   78.189  316.924  111.864 -74.11494 136.4811 
1 1 1    9   17   17 o  247.544   63.688  153.885   77.412  169.635   87.990   99.937  162.847  263.066   79.209  232.023   99.752 31.04340 127.3757 
1 1 1    9   17   18 o  212.544   60.771   94.028   72.479  102.041   82.623   67.273  150.973  211.008   77.071  214.081   93.980 -3.072693 121.5411 
1 1 1    9   17   19 o  152.342   49.730 -16.3183   61.000  -1.9000   69.199 -66.5747  129.194  141.390   62.776  163.294   77.147 -21.90422 99.46070 
1 1 1    9   17   20 o  167.252   53.198   3.4883   70.515  -5.8012   89.219   18.949  115.101  154.877   69.826  179.628   80.277 -24.75136 106.3962 
1 1 1    9   17   21 o  250.554   67.824  177.028  101.560  251.288  130.573   63.298  161.588  291.665   97.565  209.443   94.242 82.22237 135.6485 
1 1 1    9   17   22 o  222.653   67.869  121.412  105.422  107.046  135.859  143.152  167.130  214.477   91.630  230.830  100.144 -16.35298 135.7381 
1 1 1    9   17   23 o  220.499   71.257  125.413  132.105  120.797  242.813  127.354  157.447  223.042  105.493  217.957   95.821 5.085007 142.5146 
1 1 1    9   17   24 o  176.403   56.105   36.378   82.608   93.488  117.312 -19.7936  116.344  195.313   84.318  157.494   74.037 37.81920 112.2095 
1 1 1    9   17   25 o  136.331   45.837 -72.5143   70.464   20.030   94.797 -186.7773  105.335  157.351   71.362  115.311   57.546 42.03963 91.67394 
1 1 1    9   17   26 o  139.701   45.814 -24.8669   63.223   33.253   80.644 -117.5609  101.843  155.268   68.409  124.134   60.957 31.13374 91.62720 
1 1 1    9   17   27 o  174.185   74.154   69.753   88.410   69.753   88.410   0.0000   0.0000  174.185   74.154  ?   ?       ?      ? 
1 1 1    9   17   28 o  132.483   44.966 -59.5140   69.088  -8.4915   86.470 -149.5777  114.884  140.010   65.162  124.956   61.982 15.05370 89.93289 
1 1 1    9   18    0 o  467.631   72.403  458.537  132.128  458.537  132.128   0.0000   0.0000  467.631   72.403  ?   ?       ?      ? 
1 1 1    9   18    1 o  161.120   43.091   37.289   35.264   27.845   42.905   56.953   61.911  141.325   54.674  180.914   66.619 -39.58913 86.18163 
1 1 1    9   18    2 f  420.868   60.225  407.452   93.888  471.922  120.392  307.388  149.990  477.656   64.588  364.079  101.669 113.5768 120.4502 
1 1 1    9   18    3 o  443.541  104.638  458.792  178.186   0.0000   0.0000  458.792  178.186  ?   ?   443.541  104.638      ?      ? 
1 1 1    9   18    4 o  399.398   63.558  353.943   91.574  345.165  110.820  372.843  162.602  399.718   73.762  399.079  103.525 0.6387024 127.1156 
1 1 1    9   18    5 o  367.144   74.900  318.298  112.938  325.325  167.565  312.449  152.880  369.418  108.856  364.870  102.911 4.547272 149.8006 
1 1 1    9   18    6 o  725.048   84.891  1143.41  240.193  1143.41  240.193   0.0000   0.0000  725.048   84.891  ?   ?       ?      ? 
1 1 1    9   18    7 o  572.753   75.967  701.815  169.794  701.815  169.794   0.0000   0.0000  572.753   75.967  ?   ?       ?      ? 
1 1 1    9   18    8 o  350.743   67.528  288.046   84.053  292.123   94.094  271.942  186.995  367.480   68.123  334.006  116.616 33.47369 135.0551 
1 1 1    9   18    9 o  146.337   49.518   4.6589   25.386   7.0068   25.684 -94.9758  167.309   99.474   40.981  193.200   90.159 -93.72634 99.03579 
1 1 1    9   18   10 o  512.154  115.226  665.696  224.721   0.0000   0.0000  665.696  224.721  ?   ?   512.154  115.226      ?      ? 
1 1 1    9   18   11 o  225.764   61.387   85.744   52.653   82.779   55.371  113.731  170.133  197.478   63.389  254.050  105.144 -56.57161 122.7734 
1 1 1    9   18   12 o  400.445   77.599  407.937  106.288  404.395  115.373  427.806  273.257  431.036   68.590  369.853  139.219 61.18250 155.1980 
1 1 1    9   18   13 o  251.516   67.651   97.791   53.484   87.192   55.334  248.444  208.613  199.928   63.282  303.104  119.591 -103.1765 135.3026 
1 1 1    9   18   14 o  598.386   81.902  839.393  191.252  839.393  191.252   0.0000   0.0000  598.386   81.902  ?   ?       ?      ? 
1 1 1    9   18   15 f  182.031   57.207   33.990   50.315   36.557   52.280   1.7533  185.274  152.186   59.925  211.876   97.466 -59.68991 114.4144 
1 1 1    9   18   16 o  364.053   77.454  381.006  109.951  367.614  124.644  427.977  233.434  381.783   85.756  346.324  129.004 35.45871 154.9072 
1 1 1    9   18   17 o  240.496   66.819  131.262   77.947  117.891   86.596  188.349  178.930  221.396   79.167  259.596  107.665 -38.20026 133.6380 
1 1 1    9   18   18 o  195.174   60.314   47.998   70.400   37.991   77.861   92.835  164.816  167.714   70.400  222.635   97.954 -54.92099 120.6281 
1 1 1    9   18   19 o  300.805   76.758  269.366  106.776  237.139  124.748  357.667  206.494  287.815   95.333  313.795  120.328 -25.98016 153.5157 
1 1 1    9   18   20 o  188.347   59.780   37.035   82.970   37.475   96.206   35.758  163.910  175.334   76.024  201.360   92.276 -26.02589 119.5592 
1 1 1    9   18   21 o  227.956   66.564  139.171  104.855  210.024  131.115   13.455  174.650  260.701   96.767  195.212   91.428 65.48920 133.1277 
1 1 1    9   18   22 o  238.366   67.627  178.127  113.258  287.313  140.630 -23.4115  191.061  289.838  101.134  186.893   89.809 102.9453 135.2544 
1 1 1    9   18   23 f  184.967   58.103   57.078   90.721  124.960  112.144 -71.4697  154.325  207.954   85.648  161.980   78.539 45.97401 116.2063 
1 1 1    9   18   24 o  179.077   56.656   61.993   81.141   79.436  100.904   30.073  136.497  183.093   78.613  175.061   81.607 8.031815 113.3129 
1 1 1    9   18   25 o  162.702   51.981   2.8785   79.206  102.807  101.306 -154.2676  127.041  192.670   80.551  132.735   65.723 59.93510 103.9616 
1 1 1    9   18   26 o  199.408   60.725  105.029   94.469  207.204  126.855 -22.1856  141.548  236.666   93.296  162.150   77.755 74.51588 121.4493 
1 1 1    9   18   27 o  154.121   51.568  -7.7552   80.965 -16.5469  105.793   4.6743  125.790  147.461   69.711  160.781   76.010 -13.32043 103.1363 
1 1 1    9   19    0 o  696.658   91.457  1084.37  248.639  1084.37  248.639   0.0000   0.0000  696.658   91.457  ?   ?       ?      ? 
1 1 1    9   19    1 o  112.188   34.890  -8.2580   29.595   17.419   32.502 -132.8178   71.586  119.550   47.194  104.825   51.400 14.72523 69.77987 
1 1 1    9   19    2 o  746.049   91.535  1246.61  266.493  1246.61  266.493   0.0000   0.0000  746.049   91.535  ?   ?       ?      ? 
1 1 1    9   19    4 o  520.058   71.506  601.673  130.161  553.480  153.886  722.834  243.997  504.806   78.116  535.310  119.793 -30.50363 143.0121 
1 1 1    9   19    5 o  374.425   82.132  356.949  132.210  378.451  194.773  338.577  180.040  383.080  118.348  365.771  113.914 17.30939 164.2642 
1 1 1    9   19    6 o  305.651   64.257  182.582   67.483  158.228   74.402  295.557  160.248  266.840   70.423  344.463  107.502 -77.62326 128.5145 
1 1 1    9   19    7 o  454.142   75.073  538.940  124.409  579.694  146.084  431.356  237.350  517.069   72.397  391.216  131.539 125.8522 150.1460 
1 1 1    9   19    8 o  158.808   51.245   16.910   35.415   22.590   36.183 -112.4992  172.714  128.032   50.020  189.584   89.454 -61.55217 102.4895 
1 1 1    9   19    9 o  491.422   72.930  531.747  139.860  531.747  139.860   0.0000   0.0000  491.422   72.930  ?   ?       ?      ? 
1 1 1    9   19   10 o  236.335   67.019   99.458   56.098  101.607   57.415   54.217  263.442  214.352   63.858  258.319  117.849 -43.96745 134.0382 
1 1 1    9   19   11 o  381.275   78.915  367.781  120.489  280.651  147.348  543.614  209.320  325.214  103.302  437.336  119.329 -112.1215 157.8307 
1 1 1    9   19   12 o  164.075   56.334   7.1087   36.486   10.311   36.895 -134.9770  245.773  116.939   48.727  211.210  101.587 -94.27074 112.6686 
1 1 1    9   19   13 o  325.506   79.494  185.585   76.216  150.835   79.450  586.571  269.887  250.869   75.206  400.144  140.076 -149.2749 158.9884 
1 1 1    9   19   14 o  194.855   94.184 -99.3264   17.201 -99.0938   17.255 -136.3271  217.625  ?   ?   194.855   94.184      ?      ? 
1 1 1    9   19   15 o  221.216   63.682  108.254   73.056  121.396   77.050  -8.7513  229.902  224.399   74.948  218.033  102.978 6.366302 127.3645 
1 1 1    9   19   16 o  399.873  101.207  655.804  196.663  561.156  252.549  801.619  313.468  377.102  135.160  422.644  150.676 -45.54236 202.4142 
1 1 1    9   19   17 o  296.640   74.030  273.729  105.012  281.879  118.836  244.686  224.336  321.424   90.758  271.856  116.983 49.56812 148.0609 
1 1 1    9   19   18 o  231.156   67.688  132.793   91.921  136.338  103.632  119.713  199.061  229.649   85.873  232.663  104.654 -3.014511 135.3759 
1 1 1    9   19   19 o  262.316   74.584  185.595  101.618  137.159  115.779  348.056  212.042  227.083   89.253  297.549  119.519 -70.46606 149.1672 
1 1 1    9   19   20 o  170.889   57.376 -21.7365   85.533 -29.0130   96.501   4.9270  184.725  147.701   68.774  194.078   91.860 -46.37631 114.7525 
1 1 1    9   19   21 o  207.456   62.948  110.282  100.094  173.666  119.317 -40.2761  183.893  234.917   91.094  179.996   86.900 54.92087 125.8952 
1 1 1    9   19   22 f  165.127   53.721   19.461   77.838   42.567   92.378 -37.1036  144.537  166.308   73.248  163.946   78.604 2.361588 107.4426 
1 1 1    9   19   23 o  192.116   65.316   32.722  121.700  223.995  239.007 -34.2292  141.404  222.911  105.195  161.321   77.452 61.59038 130.6326 
1 1 1    9   19   24 o  164.550   57.151 -65.5177  118.404 -165.0237  238.234 -32.8748  136.450  170.080   85.128  159.021   76.277 11.05908 114.3025 
1 1 1    9   19   25 o  178.939   86.033   19.996  175.874   19.996  175.874   0.0000   0.0000  178.939   86.033  ?   ?       ?      ? 
1 1 1    9   19   26 o  131.574   64.487 -101.3648  112.272 -101.3648  112.272   0.0000   0.0000  131.574   64.487  ?   ?       ?      ? 
1 1 1    9   20    0 o  305.165   62.221  228.382   83.152  293.947  108.380  134.564  129.645  358.229   79.595  252.101   95.659 106.1282 124.4425 
1 1 1    9   20    1 o  282.269   57.678  192.852   72.690  255.453   93.080   94.993  116.377  337.237   72.856  227.300   89.437 109.9370 115.3562 
1 1 1    9   20    2 o  392.139   65.406  390.890  101.697  470.047  128.833  260.023  165.652  464.892   71.014  319.386  109.857 145.5061 130.8114 
1 1 1    9   20    3 o  379.092   71.028  360.621  101.708  366.626  120.625  345.850  189.174  399.984   80.073  358.200  117.337 41.78345 142.0550 
1 1 1    9   20    4 o  756.703   97.871  1372.56  289.010  1372.56  289.010   0.0000   0.0000  756.703   97.871  ?   ?       ?      ? 
1 1 1    9   20    5 o  128.033   45.063 -35.4813   19.400 -37.4451   19.658   37.787  120.073   55.356   27.100  200.710   85.955 -145.3537 90.12584 
1 1 1    9   20    6 o  144.431   47.735   2.9789   30.842   5.8893   31.599 -55.5899  141.752  106.798   44.840  182.065   84.285 -75.26681 95.47023 
1 1 1    9   20    7 o  273.543   67.668  139.455   65.773  118.840   70.453  279.367  183.541  229.084   71.245  318.003  115.065 -88.91920 135.3362 
1 1 1    9   20    8 o  220.921   63.266   79.536   53.950   76.777   56.074  113.911  197.902  189.661   63.934  252.182  109.191 -62.52115 126.5314 
1 1 1    9   20    9 o  208.373   64.141   53.870   46.311   52.051   47.222   99.645  236.895  162.809   58.435  253.938  114.200 -91.12888 128.2822 
1 1 1    9   20   10 o  259.807   74.121   89.794   57.246   74.816   58.665  388.211  261.852  187.127   65.318  332.488  133.076 -145.3606 148.2422 
1 1 1    9   20   11 o  505.045  135.117  843.604  271.514   0.0000   0.0000  843.604  271.514  ?   ?   505.045  135.117      ?      ? 
1 1 1    9   20   12 o  216.579   66.144   77.799   60.602   77.885   62.218   76.206  267.673  188.989   67.155  244.170  113.976 -55.18120 132.2888 
1 1 1    9   20   13 o  217.628   67.519   75.817   65.407   73.304   67.374  116.990  272.680  186.045   69.305  249.212  115.896 -63.16684 135.0370 
1 1 1    9   20   14 o  186.636   61.639   23.760   64.349   27.138   66.515 -25.5850  254.227  154.303   64.935  218.969  104.790 -64.66614 123.2783 
1 1 1    9   20   15 o  302.523   73.317  297.246  107.745  318.426  117.442  184.641  270.795  347.725   86.814  257.321  118.172 90.40421 146.6337 
1 1 1    9   20   16 o  177.731   60.394 -21.1496   64.324 -31.6387   67.259   91.234  220.158  125.890   58.201  229.571  105.841 -103.6812 120.7879 
1 1 1    9   20   17 o  394.850  103.153  467.477  160.691  467.477  160.691   0.0000   0.0000  394.850  103.153  ?   ?       ?      ? 
1 1 1    9   20   18 o  322.401  106.089  346.318  154.579  346.318  154.579   0.0000   0.0000  322.401  106.089  ?   ?       ?      ? 
1 1 1    9   20   19 o  210.776  100.574   68.041  230.593   68.041  230.593   0.0000   0.0000  210.776  100.574  ?   ?       ?      ? 
1 1 1    9   20   20 o  213.100  101.234  122.606  228.421  122.606  228.421   0.0000   0.0000  213.100  101.234  ?   ?       ?      ? 
1 1 1    9   20   21 o  200.801   95.663   90.344  206.909   90.344  206.909   0.0000   0.0000  200.801   95.663  ?   ?       ?      ? 
1 1 1    9   20   22 o  165.881   73.912   42.722   96.791   42.722   96.791   0.0000   0.0000  165.881   73.912  ?   ?       ?      ? 
1 1 1    9   20   23 f  249.667   98.008  243.978  139.444  243.978  139.444   0.0000   0.0000  249.667   98.008  ?   ?       ?      ? 
1 1 1    9   20   24 o  150.918   49.590 -42.8446   80.644   79.729  100.698 -262.0558  134.664  180.089   77.932  121.747   61.347 58.34230 99.18050 
1 1 1    9   20   25 o  171.546   55.412   36.352   89.512  126.863  117.074 -91.0125  138.878  197.529   84.741  145.563   71.420 51.96611 110.8236 
1 1 1    9   21    0 o  298.004   77.876  200.800  108.794  367.855  211.591  140.763  126.845  348.376  123.837  247.632   94.462 100.7438 155.7519 
1 1 1    9   21    1 o  329.866   77.337  237.176  111.525  507.957  210.488  131.488  131.501  416.167  121.826  243.566   95.302 172.6011 154.6736 
1 1 1    9   21    2 o  183.222   59.766 -60.9111   91.226   58.703  163.234 -115.2384  110.009  223.673   97.968  142.771   68.485 80.90182 119.5317 
1 1 1    9   21    3 o  240.461   71.288  110.848  113.174   85.386  161.870  135.198  158.294  231.516   99.491  249.405  102.125 -17.88889 142.5762 
1 1 1    9   21    4 o  466.682  101.369  745.985  202.437  744.756  290.534  747.144  282.226  462.912  144.796  470.453  141.905 -7.541016 202.7382 
1 1 1    9   21    5 o  310.179   69.866  238.247   83.998  223.627   94.220  294.876  185.432  304.461   78.720  315.896  115.449 -11.43420 139.7325 
1 1 1    9   21    6 o  242.682   65.452  109.106   60.830   96.349   64.456  213.031  183.969  206.753   68.528  278.612  111.533 -71.85828 130.9033 
1 1 1    9   21    7 o  304.023   73.926  196.520   78.347  167.343   83.733  401.645  222.018  262.501   76.836  345.546  126.319 -83.04431 147.8525 
1 1 1    9   21    8 o  311.658   76.318  232.603   85.404  211.210   90.729  398.947  252.994  293.249   77.946  330.067  131.232 -36.81812 152.6353 
1 1 1    9   21    9 o  205.826   68.471   6.8732   89.268  -6.0889   94.548  113.287  270.903  160.301   72.113  251.351  116.416 -91.05013 136.9411 
1 1 1    9   21   10 o  287.726   83.627  216.984  119.890  176.394  130.485  436.928  303.743  255.749   96.216  319.703  136.807 -63.95367 167.2534 
1 1 1    9   21   11 o  209.915   65.826   3.2752   85.361 -53.4258   95.013  240.574  194.373  143.538   67.293  276.291  113.154 -132.7537 131.6515 
1 1 1    9   21   12 o  299.374   83.796  255.136  129.927  170.475  150.687  500.464  256.512  249.459  100.559  349.290  134.070 -99.83098 167.5916 
1 1 1    9   21   13 o  244.718   72.636  160.239  114.791  165.339  140.095  149.821  200.247  245.927   97.695  243.509  107.516 2.418427 145.2718 
1 1 1    9   21   14 o  172.363   58.283 -75.7857  106.378 -87.2590  134.145 -56.3454  174.615  159.396   76.238  185.329   88.179 -25.93208 116.5665 
1 1 1    9   21   15 o  241.582   74.762  165.987  133.127  184.614  160.172  124.370  239.415  248.192  102.305  234.973  109.046 13.21906 149.5235 
1 1 1    9   21   16 o  151.105   52.531 -73.4154   77.850 -44.9599   82.768 -291.7583  229.271  133.344   62.608  168.866   84.369 -35.52257 105.0612 
1 1 1    9   21   17 o  327.593   79.335  463.298  145.066  531.441  171.002  288.370  273.982  402.267  107.050  252.919  117.118 149.3489 158.6705 
1 1 1    9   21   18 o  260.709   73.388  259.179  110.979  255.809  129.950  268.260  213.321  273.708   97.075  247.709  110.089 25.99899 146.7758 
1 1 1    9   21   19 o  171.961   54.351   36.320   80.696   94.841   93.504 -134.4818  159.744  191.092   78.397  152.830   75.301 38.26289 108.7027 
1 1 1    9   21   20 o  133.016   45.974 -73.3159   68.949 -46.8929   77.467 -174.0336  151.244  123.818   58.859  142.215   70.640 -18.39765 91.94843 
1 1 1    9   21   21 o  230.929   67.161  206.237  104.648  248.306  127.755  120.446  182.438  259.733   95.689  202.124   94.264 57.60963 134.3212 
1 1 1    9   21   22 o  152.181   51.001 -16.2339   78.602   9.4099   93.220 -79.3118  146.203  151.155   69.386  153.206   74.767 -2.050797 102.0026 
1 1 1    9   21   23 o  158.980   50.863   6.4692   77.006   95.929   94.168 -174.1138  133.791  186.187   77.736  131.774   65.616 54.41336 101.7263 
1 1 1    9   21   24 o  224.745   69.896  223.725  133.527   16.590  200.240  389.580  179.180  177.011   86.622  272.480  109.720 -95.46942 139.7917 
1 1 1    9   22    0 o  313.160  109.325  293.411  164.343   0.0000   0.0000  293.411  164.343  ?   ?   313.160  109.325      ?      ? 
1 1 1    9   22    1 f  293.828   70.541  243.411  108.393  350.129  143.910  103.487  164.784  356.315   99.618  231.340   99.902 124.9742 141.0819 
1 1 1    9   22    2 o  270.503   71.143  205.274  102.873  235.623  125.014  141.621  181.050  294.164   95.333  246.841  105.625 47.32274 142.2850 
1 1 1    9   22    3 o  268.152   66.715  198.786   87.952  222.305  102.257  131.923  172.418  294.625   84.532  241.678  103.237 52.94725 133.4295 
1 1 1    9   22    4 o  270.951   67.546  200.633   85.776  209.973   97.749  169.359  178.868  287.173   82.721  254.729  106.803 32.44391 135.0918 
1 1 1    9   22    5 o  175.777   56.425   16.685   52.156   12.838   54.812   53.530  169.616  136.708   58.298  214.845   96.625 -78.13664 112.8492 
1 1 1    9   22    6 o  247.065   74.088  152.844  120.467  152.414  147.336  153.712  209.237  243.990   99.055  250.139  110.201 -6.148956 148.1758 
1 1 1    9   22    7 o  194.529   58.864   65.996   66.551   86.379   69.562 -154.3012  228.688  196.113   70.856  192.945   94.016 3.167465 117.7272 
1 1 1    9   22    8 o  175.576   58.163   19.437   54.332   24.928   55.770 -82.9221  240.778  144.686   60.066  206.467   99.618 -61.78142 116.3259 
1 1 1    9   22    9 o  173.087   65.412   60.714   60.465   60.714   60.465   0.0000   0.0000  173.087   65.412  ?   ?       ?      ? 
1 1 1    9   22   10 o  267.819   68.071  194.005   80.068  191.363   87.189  208.225  202.279  274.445   77.826  261.193  111.703 13.25229 136.1411 
1 1 1    9   22   11 o  289.274   69.074  239.250   86.374  233.853   97.836  258.319  183.909  299.739   81.496  278.809  111.549 20.93033 138.1476 
1 1 1    9   22   12 o  257.466   64.131  194.543   84.407  225.928   99.818  115.783  158.126  290.799   83.542  224.133   97.324 66.66562 128.2623 
1 1 1    9   22   13 o  254.637   63.065  194.693   86.907  248.070  104.107   71.982  157.850  301.659   84.867  207.615   93.308 94.04419 126.1303 
1 1 1    9   22   14 o  248.592   70.884  181.569   97.631  153.272  114.479  257.043  186.960  232.298   89.464  264.887  109.973 -32.58864 141.7671 
1 1 1    9   22   15 o  258.989   71.752  246.592  114.231  280.852  130.707  135.814  235.034  294.185   97.590  223.794  105.212 70.39113 143.5040 
1 1 1    9   22   16 o  280.616   85.144  407.310  165.903  357.653  220.325  472.333  252.121  271.005  116.257  290.227  124.429 -19.22186 170.2882 
1 1 1    9   22   17 o  183.740   56.737   72.766   78.068  101.468   91.374  -4.8240  150.232  194.806   78.384  172.675   82.051 22.13048 113.4741 
1 1 1    9   22   18 o  251.538   66.380  237.589   93.795  265.510  112.260  173.029  170.704  285.390   90.115  217.686   97.490 67.70393 132.7595 
1 1 1    9   22   19 o  179.458   57.803   10.413   77.161 -56.4238   89.409  205.476  152.742  129.531   62.030  229.385   97.556 -99.85373 115.6063 
1 1 1    9   22   20 o  163.388   55.059 -15.2537   79.594 -50.2964   91.145   97.316  163.359  132.018   63.060  194.757   90.273 -62.73833 110.1172 
1 1 1    9   22   21 o  164.400   54.147   24.956   75.697   23.036   86.779   31.068  154.812  152.506   68.801  176.294   83.631 -23.78807 108.2947 
1 1 1    9   22   22 o  177.214   55.622   74.210   78.443  102.111   93.903   9.7743  142.702  188.006   77.987  166.423   79.330 21.58299 111.2435 
1 1 1    9   23    0 o  192.116   56.082   51.699   77.525  125.609   94.202 -103.4079  136.466  225.421   82.301  158.811   76.205 66.60988 112.1635 
1 1 1    9   23    1 o  120.551   42.589 -97.7828   52.777 -77.5978   56.581 -232.9434  146.413   98.741   47.799  142.361   70.501 -43.61979 85.17724 
1 1 1    9   23    2 o  209.107   62.869   83.861   83.781   93.471   96.308   53.964  169.875  206.019   81.266  212.195   95.946 -6.176590 125.7376 
1 1 1    9   23    3 o  290.890   71.268  257.125   99.905  275.252  116.881  207.965  192.482  318.918   89.994  262.862  110.533 56.05637 142.5361 
1 1 1    9   23    4 o  275.270   67.446  231.966   99.087  283.310  114.015   73.499  200.302  326.193   87.680  224.347  102.509 101.8466 134.8925 
1 1 1    9   23    5 o  211.454   59.492  103.858   74.390  135.781   80.405 -85.8707  196.018  233.148   76.503  189.760   91.128 43.38828 118.9837 
1 1 1    9   23    6 o  354.075  141.801  593.041  297.507   0.0000   0.0000  593.041  297.507  ?   ?   354.075  141.801      ?      ? 
1 1 1    9   23    7 o  301.060   80.674  300.439  123.512  284.850  141.951  349.026  250.602  306.753  101.698  295.367  125.262 11.38559 161.3480 
1 1 1    9   23    8 o  145.943   50.324 -60.0611   50.006 -71.0001   52.998   28.680  150.951   95.999   46.420  195.886   89.305 -99.88702 100.6488 
1 1 1    9   23    9 o   98.431   47.325 -63.7299   53.217 -63.7299   53.217   0.0000   0.0000   98.431   47.325  ?   ?       ?      ? 
1 1 1    9   23   10 o  164.948   52.778   6.2073   60.601  -7.4410   68.614   54.617  129.221  136.120   61.315  193.776   85.922 -57.65598 105.5559 
1 1 1    9   23   11 o  282.541   68.599  251.173  112.272  410.722  149.194   42.852  170.479  364.836  101.229  200.245   92.606 164.5905 137.1978 
1 1 1    9   23   12 o  203.963   60.650   99.104   85.341  137.711  105.323   25.298  145.624  222.138   85.739  185.788   85.804 36.34967 121.2992 
1 1 1    9   23   13 o  252.962   68.008  209.352  109.089  342.343  144.891   35.301  165.756  315.260  102.661  190.665   89.226 124.5954 136.0166 
1 1 1    9   23   14 o  176.647   83.560   2.4313  152.434   0.0000   0.0000   2.4313  152.434  ?   ?   176.647   83.560      ?      ? 
1 1 1    9   23   15 o  254.154   74.225  275.445  128.146  365.590  171.554  161.658  192.742  292.152  110.236  216.156   99.426 75.99625 148.4502 
1 1 1    9   23   16 f  211.913   65.063  147.969  103.502  191.984  134.569   84.216  161.955  230.378   94.227  193.447   89.744 36.93048 130.1257 
1 1 1    9   23   17 o  137.460   47.023 -63.8265   73.339 -40.8851   87.523 -117.9089  134.381  132.554   62.881  142.366   69.932 -9.812241 94.04581 
1 1 1    9   23   18 o  194.809   61.230  104.069   95.585  138.781  123.417   52.038  151.100  207.495   87.946  182.124   85.217 25.37007 122.4596 
1 1 1    9   23   19 o  176.273   57.399   52.460   86.293   48.449  103.208   61.777  157.306  168.498   75.609  184.049   86.382 -15.55127 114.7975 
1 1 1    9   23   20 o  166.309   53.053   30.252   81.966  105.335   96.389 -165.8335  155.769  190.303   78.982  142.315   70.854 47.98834 106.1057 
1 1 1    9   23   21 f  210.213   62.461  167.863   98.651  233.250  119.396   27.192  175.126  245.982   92.136  174.444   84.360 71.53766 124.9223 
1 1 1    9   24    0 o  194.661   61.285   52.110   83.303   55.725   94.135   39.059  178.863  182.808   77.107  206.514   95.277 -23.70589 122.5693 
1 1 1    9   24    1 o  238.328   66.368  160.185   96.113  199.503  109.848   31.795  198.503  266.761   89.487  209.895   98.035 56.86517 132.7361 
1 1 1    9   24    2 o  172.682   54.708   23.440   71.428   52.247   79.428 -98.3429  163.312  174.264   71.959  171.101   82.425 3.163452 109.4164 
1 1 1    9   24    3 o  177.856   55.360   38.562   70.795   69.360   77.540 -115.7261  173.553  183.434   72.740  172.278   83.474 11.15524 110.7204 
1 1 1    9   24    4 f  371.661   84.298  480.353  132.671  449.271  154.245  568.740  260.105  389.499  100.728  353.824  135.197 35.67529 168.5951 
1 1 1    9   24    5 f  193.422   60.395   61.278   71.932   66.452   77.234   27.422  197.555  180.702   72.291  206.141   96.768 -25.43938 120.7892 
1 1 1    9   24    6 o  225.221   73.917  102.690  155.469   52.523  213.600  159.208  226.718  213.203  100.255  237.240  108.647 -24.03699 147.8347 
1 1 1    9   24    7 o  136.275   48.924 -79.3552   51.072 -79.6316   53.177 -76.0698  183.355   92.913   45.287  179.636   86.737 -86.72323 97.84849 
1 1 1    9   24    8 o  179.952   56.299   45.758   66.151   42.299   73.839   59.826  148.895  162.887   68.475  197.018   89.384 -34.13042 112.5983 
1 1 1    9   24    9 o  137.182   61.081   4.2799   65.977   4.2799   65.977   0.0000   0.0000  137.182   61.081  ?   ?       ?      ? 
1 1 1    9   24   10 f  180.511   57.049   49.392   67.705   42.442   74.836   80.735  158.925  161.139   68.401  199.883   91.323 -38.74399 114.0990 
1 1 1    9   24   11 o  136.715   61.385   3.2370   68.144   3.2370   68.144   0.0000   0.0000  136.715   61.385  ?   ?       ?      ? 
1 1 1    9   24   12 o  166.553   55.449 -28.6498   63.080 -65.5014   68.622  172.265  160.228  111.493   53.639  221.613   97.064 -110.1203 110.8987 
1 1 1    9   24   13 o  203.765   61.311  123.032   83.818  134.903   95.979   84.891  172.043  211.970   81.838  195.560   91.316 16.41029 122.6214 
1 1 1    9   24   14 o  178.235   58.829   20.165   79.943 -19.6071   89.809  171.940  175.442  140.591   65.756  215.879   97.569 -75.28809 117.6584 
1 1 1    9   24   15 o  209.396   63.816  146.096   97.459  171.221  113.667   76.352  189.376  225.314   88.475  193.479   91.990 31.83556 127.6320 
1 1 1    9   24   16 o  226.043   67.537  196.691  103.604  207.049  122.621  170.848  193.686  239.565   92.499  212.521   98.433 27.04396 135.0744 
1 1 1    9   24   17 o  152.813   51.912 -21.3673   78.998 -10.7380   89.183 -60.0927  170.226  141.841   66.069  163.785   80.089 -21.94411 103.8238 
1 1 1    9   24   18 o  179.942   58.367   70.194   86.915   75.450   99.208   52.843  180.260  176.685   76.905  183.198   87.821 -6.512589 116.7345 
1 1 1    9   24   19 o  257.995   75.646  297.365  111.683  227.085  128.180  518.891  227.571  237.649   93.750  278.342  118.744 -40.69342 151.2921 
1 1 1    9   25    0 o  285.663   98.213  268.011  132.389  268.011  132.389   0.0000   0.0000  285.663   98.213  ?   ?       ?      ? 
1 1 1    9   25    1 o  208.104   82.902  114.314  101.144  114.314  101.144   0.0000   0.0000  208.104   82.902  ?   ?       ?      ? 
1 1 1    9   25    2 o  255.754   89.864  200.011  111.126  200.011  111.126   0.0000   0.0000  255.754   89.864  ?   ?       ?      ? 
1 1 1    9   25    3 o  383.360  101.152  468.390  153.523  468.390  153.523   0.0000   0.0000  383.360  101.152  ?   ?       ?      ? 
1 1 1    9   25    4 o  247.017   91.323  192.606  116.547  192.606  116.547   0.0000   0.0000  247.017   91.323  ?   ?       ?      ? 
1 1 1    9   25    5 o  175.455   73.993   61.326   86.663   61.326   86.663   0.0000   0.0000  175.455   73.993  ?   ?       ?      ? 
1 1 1    9   25    7 o  232.518   86.128  167.302  103.763  167.302  103.763   0.0000   0.0000  232.518   86.128  ?   ?       ?      ? 
1 1 1    9   25    8 o  225.051   82.849  153.029   95.744  153.029   95.744   0.0000   0.0000  225.051   82.849  ?   ?       ?      ? 
1 1 1    9   25    9 o  141.091   62.859   12.637   69.987   12.637   69.987   0.0000   0.0000  141.091   62.859  ?   ?       ?      ? 
1 1 1    9   25   10 o  125.519   58.388 -22.7245   69.286 -22.7245   69.286   0.0000   0.0000  125.519   58.388  ?   ?       ?      ? 
1 1 1    9   25   11 o  176.924   74.440   73.154   87.383   73.154   87.383   0.0000   0.0000  176.924   74.440  ?   ?       ?      ? 
1 1 1    9   25   12 o  172.846   56.878   40.308   76.992   46.201   83.131   4.7675  204.154  162.225   70.505  183.467   89.273 -21.24194 113.7562 
1 1 1    9   25   13 o  136.521   47.486 -66.1504   70.463 -35.3425   75.609 -269.6688  194.332  125.524   59.215  147.519   74.251 -21.99408 94.97215 
1 1 1    9   25   14 o  180.511   61.007  -8.0078   85.443 -64.9382   94.111  259.056  203.833  129.917   62.581  231.105  104.743 -101.1873 122.0145 
1 1 1    9   25   15 o  157.655   54.887 -64.9293   95.344 -94.6451  108.939   32.338  197.094  131.846   64.386  183.463   88.908 -51.61722 109.7735 
1 1 1    9   25   16 o  213.706   69.164  200.320  132.675  226.559  163.720  150.124  226.444  225.895   98.548  201.516   97.072 24.37979 138.3282 
1 1 1    9   25   17 o  246.185   78.203  341.489  144.917  229.346  173.822  597.112  262.434  219.662   98.376  272.707  121.593 -53.04494 156.4057 
1 1 1    9   26    0 o  163.933   52.995   24.427   74.440   54.170   85.353 -70.0826  152.149  168.252   72.273  159.614   77.527 8.638657 105.9901 
1 1 1    9   26    1 o  168.575   54.161   27.494   81.223   77.347   98.795 -76.4736  142.674  182.504   78.058  154.645   75.105 27.85876 108.3226 
1 1 1    9   26    2 o  234.975   64.892  192.958   87.336  203.679  103.431  166.328  163.019  252.412   86.808  217.537   96.480 34.87488 129.7845 
1 1 1    9   26    3 o  194.693   58.182  102.599   74.748  110.430   89.808   84.942  134.848  198.516   78.422  190.870   85.969 7.645844 116.3644 
1 1 1    9   26    4 o  182.986   54.309   74.186   73.346  133.411   89.581 -46.2727  127.756  212.286   79.750  153.685   73.742 58.60175 108.6178 
1 1 1    9   26    5 o  184.668   56.995   80.205   78.662  105.008   95.334   27.300  139.232  194.620   79.423  174.716   81.767 19.90367 113.9901 
1 1 1    9   26    6 o  188.305   62.508   55.381  114.133  130.951  177.830   2.4474  148.831  205.339   94.828  171.271   81.466 34.06758 125.0165 
1 1 1    9   26    7 o  177.518   55.896   64.708   74.198   83.186   82.164 -16.9697  172.742  181.375   73.843  173.661   83.933 7.713455 111.7924 
1 1 1    9   26    8 o  180.833   58.718   54.605   75.420   42.472   82.504  116.295  186.040  160.253   69.933  201.413   94.342 -41.15961 117.4356 
1 1 1    9   26    9 o  125.853   62.216 -143.7787  112.198 -143.7787  112.198   0.0000   0.0000  125.853   62.216  ?   ?       ?      ? 
1 1 1    9   26   10 o  189.985   77.380   99.249   90.272   99.249   90.272   0.0000   0.0000  189.985   77.380  ?   ?       ?      ? 
1 1 1    9   26   11 o  183.230   77.189   86.996   94.146   86.996   94.146   0.0000   0.0000  183.230   77.189  ?   ?       ?      ? 
1 1 1    9   26   12 o  181.198   58.080   71.288   91.644  115.243   97.350 -271.0426  271.678  196.533   80.237  165.863   83.994 30.66939 116.1592 
1 1 1    9   26   13 o  157.448   54.805 -20.0035   80.511 -14.2032   84.711 -74.1798  258.894  137.076   64.030  177.820   88.964 -40.74393 109.6107 
1 1 1    9   26   14 o  209.973   65.912  180.183  111.260  198.202  123.159  100.215  259.454  226.913   91.108  193.033   95.272 33.88034 131.8236 
1 1 1    9   27    0 o  259.647   71.261  283.138  107.413  293.242  127.382  258.273  199.823  285.600   96.362  233.694  105.010 51.90559 142.5228 
1 1 1    9   27    1 o  184.098   57.945   55.977   96.094  157.634  117.912 -145.0636  165.818  216.923   88.404  151.273   74.935 65.65056 115.8899 
1 1 1    9   27    2 f  231.917   66.876  198.982   93.813  195.054  110.972  208.818  175.621  239.171   88.975  224.664   99.866 14.50710 133.7525 
1 1 1    9   27    3 o  224.421   61.943  172.796   92.913  255.085  114.569   14.699  158.803  273.420   91.391  175.422   83.638 97.99789 123.8855 
1 1 1    9   27    4 o  171.848   56.139   35.148   81.398   17.114   97.256   77.321  148.727  155.869   71.300  187.827   86.734 -31.95818 112.2790 
1 1 1    9   27    5 o  311.124   77.723  474.365  136.160  540.386  167.930  347.670  232.631  377.009  108.373  245.239  111.440 131.7704 155.4461 
1 1 1    9   27    6 o  175.022   59.181 -14.1942  120.046  118.711  160.627 -182.3483  180.676  198.892   91.219  151.153   75.422 47.73911 118.3613 
1 1 1    9   27    7 o  174.311   57.388   47.710   81.433   55.617   88.323   2.8824  210.301  166.898   72.605  181.723   88.894 -14.82451 114.7763 
1 1 1    9   27    8 o  200.005   64.603  109.040   90.009   89.289   97.158  228.620  239.064  183.459   77.910  216.551  103.074 -33.09201 129.2060 
1 1 1    9   27    9 o  199.573   81.721  124.385  101.364  124.385  101.364   0.0000   0.0000  199.573   81.721  ?   ?       ?      ? 
1 1 1    9   27   10 o  244.559   93.512  231.903  124.493  231.903  124.493   0.0000   0.0000  244.559   93.512  ?   ?       ?      ? 
1 1 1    9   27   11 o  258.534   99.018  286.561  139.728  286.561  139.728   0.0000   0.0000  258.534   99.018  ?   ?       ?      ? 
1 1 1    9   28    0 o  205.572   64.414   80.776  111.313  340.360  170.007 -114.0145  147.270  265.222  106.847  145.922   71.976 119.2995 128.8286 
1 1 1    9   28    1 o  178.362   59.338   52.979  106.511   77.702  146.450   25.218  155.189  183.682   85.258  173.043   82.552 10.63875 118.6752 
1 1 1    9   28    2 o  250.527   70.759  290.361  113.235  321.328  136.738  222.776  202.003  284.296   99.695  216.759  100.441 67.53722 141.5185 
1 1 1    9   28    3 o  200.671   60.000  111.553  101.256  240.805  123.046 -159.5791  178.213  250.818   93.615  150.524   75.076 100.2941 120.0006 
1 1 1    9   28    4 o  169.132   55.868   3.8054  104.285  125.768  123.770 -294.6803  193.627  196.490   85.704  141.773   71.693 54.71637 111.7365 
1 1 1    9   28    5 o  187.523   62.654   84.698  107.400   58.561  123.272  167.041  218.801  173.106   79.584  201.939   96.792 -28.83315 125.3082 
1 1 1    9   28    6 f  170.812   59.558 -23.1189  124.266 -74.4459  146.943  105.750  232.836  150.176   73.639  191.449   93.627 -41.27310 119.1166 
1 1 1   10    0    0 o  531.909   18.510  558.459   54.036  558.459   54.036  558.459   54.036  531.909   26.177  531.909   26.177 0.000000 0.000000 
1 1 1   10    0    1 o  711.636   29.885  1009.83  116.423  1009.83  116.423  1009.83  116.423  711.636   42.264  711.636   42.264 0.000000 0.000000 
1 1 1   10    0    2 o  603.418   27.713  726.606   91.397  726.606   91.397  726.606   91.397  603.418   39.193  603.418   39.193 0.000000 0.000000 
1 1 1   10    0    3 o  121.754   19.717   33.208   11.539   33.208   11.539   33.208   11.539  121.754   27.884  121.754   27.884 -0.000000 0.000000 
1 1 1   10    0    4 o  862.634   23.192  1470.11  110.049  1470.11  110.049  1470.11  110.049  862.634   32.799  862.634   32.799 0.000000 0.000000 
1 1 1   10    0    5 o  229.850   24.481  110.747   28.974  110.747   28.974  110.747   28.974  229.850   34.622  229.850   34.622 -0.000000 0.000000 
1 1 1   10    0    6 o  369.334   16.284  270.470   32.896  270.470   32.896  270.470   32.896  369.334   23.029  369.334   23.029 -0.000000 0.000000 
1 1 1   10    0    7 o  555.929   24.237  616.250   73.712  616.250   73.712  616.250   73.712  555.929   34.276  555.929   34.276 0.000000 0.000000 
1 1 1   10    0    8 o  481.928   23.876  464.405   62.787  464.405   62.787  464.405   62.787  481.928   33.766  481.928   33.766 0.000000 0.000000 
1 1 1   10    0   13 o  248.511   16.366  123.957   21.999  123.957   21.999  123.957   21.999  248.511   23.145  248.511   23.145 0.000000 0.000000 
1 1 1   10    0   14 o  1111.59   39.091  2466.98  238.459  2466.98  238.459  2466.98  238.459  1111.59   55.284  1111.59   55.284 0.000000 0.000000 
1 1 1   10    0   15 o  690.441   29.274  948.042  110.627  948.042  110.627  948.042  110.627  690.441   41.399  690.441   41.399 -0.000000 0.000000 
1 1 1   10    0   17 f  693.422   29.360  956.475  111.433  956.475  111.433  956.475  111.433  693.422   41.521  693.422   41.521 -0.000000 0.000000 
1 1 1   10    0   18 o  1267.95   43.223  3222.56  300.857  3222.56  300.857  3222.56  300.857  1267.95   61.127  1267.95   61.127 -0.000000 0.000000 
1 1 1   10    0   19 o  435.435   25.014  379.853   59.197  379.853   59.197  379.853   59.197  435.435   35.375  435.435   35.375 -0.000000 0.000000 
1 1 1   10    0   20 o  484.223   25.744  468.852   67.902  468.852   67.902  468.852   67.902  484.223   36.407  484.223   36.407 -0.000000 0.000000 
1 1 1   10    0   21 o  120.336   50.554   33.175   58.562   33.175   58.562   33.175   58.562  120.336   71.494  120.336   71.494 0.000000 0.000000 
1 1 1   10    0   23 f  491.323   22.404  480.595   60.169  480.595   60.169  480.595   60.169  491.323   31.684  491.323   31.684 -0.000000 0.000000 
1 1 1   10    0   24 o  328.665   22.959  218.936   40.711  218.936   40.711  218.936   40.711  328.665   32.469  328.665   32.469 -0.000000 0.000000 
1 1 1   10    0   25 o  369.199   22.022  274.551   44.137  274.551   44.137  274.551   44.137  369.199   31.144  369.199   31.144 -0.000000 0.000000 
1 1 1   10    0   27 o   79.528   27.592   18.606   14.395   18.606   14.395   18.606   14.395   79.528   39.021   79.528   39.021 0.000000 0.000000 
1 1 1   10    0   28 o  256.722   25.836  139.155   34.461  139.155   34.461  139.155   34.461  256.722   36.538  256.722   36.538 0.000000 0.000000 
1 1 1   10    0   29 o  128.296   32.002   43.321   20.583   43.321   20.583   43.321   20.583  128.296   45.258  128.296   45.258 -0.000000 0.000000 
1 1 1   10    0   30 o  226.336   25.729  109.979   29.648  109.979   29.648  109.979   29.648  226.336   36.387  226.336   36.387 0.000000 0.000000 
1 1 1   10    0   31 o  243.038   88.898  249.142  153.574  249.142  153.574  249.142  153.574  243.038  125.720  243.038  125.720 -0.000000 0.000000 
1 1 1   10    0   32 o  229.416   26.580  114.498   30.938  114.498   30.938  114.498   30.938  229.416   37.590  229.416   37.590 0.000000 0.000000 
1 1 1   10    0   33 f   81.653   28.813   20.224   15.806   20.224   15.806   20.224   15.806   81.653   40.747   81.653   40.747 0.000000 0.000000 
1 1 1   10    0   35 o  150.872   30.963   56.720   22.375   56.720   22.375   56.720   22.375  150.872   43.788  150.872   43.788 0.000000 0.000000 
1 1 1   10    1    0 o  947.740   24.565  1780.12   90.850  1774.34  128.077  1785.99  128.890  946.213   34.686  949.268   34.794 -3.055054 49.12925 
1 1 1   10    1    1 o  414.171   24.332  339.947   39.325  342.189   55.503  337.687   55.725  415.577   34.224  412.766   34.595 2.811127 48.66354 
1 1 1   10    1    2 o  450.899   24.855  403.402   43.731  411.068   62.100  395.862   61.593  455.188   34.960  446.609   35.340 8.578857 49.71040 
1 1 1   10    1    3 o  445.526   17.352  390.682   30.169  388.936   42.543  392.447   42.788  444.527   24.524  446.524   24.555 -1.997040 34.70448 
1 1 1   10    1    4 f  753.071   21.420  1115.13   62.717  1207.79   93.743  1040.05   84.383  781.046   30.756  725.096   29.821 55.94995 42.83986 
1 1 1   10    1    5 o  184.452   33.497   69.607   23.223   0.0000   0.0000   69.607   23.223  ?   ?   184.452   33.497      ?      ? 
1 1 1   10    1    6 f  512.343   20.964  532.323   40.637  582.872   53.080  460.739   63.166  543.551   25.024  481.134   33.642 62.41656 41.92861 
1 1 1   10    1    7 o  489.244   20.714  480.776   38.174  501.187   48.681  448.185   61.516  503.994   24.752  474.494   33.222 29.49979 41.42882 
1 1 1   10    1    8 o  160.773   26.890   65.752   11.554   70.002   12.143   25.092   37.562  188.947   16.469  132.600   51.196 56.34738 53.77994 
1 1 1   10    1    9 o  349.879   32.848  243.183   44.849   0.0000   0.0000  243.183   44.849  ?   ?   349.879   32.848      ?      ? 
1 1 1   10    1   10 o  443.245   99.462  452.495  167.813  452.495  167.813   0.0000   0.0000  443.245   99.462  ?   ?       ?      ? 
1 1 1   10    1   13 o  127.089   33.206   33.071   16.650   33.071   16.650   0.0000   0.0000  127.089   33.206  ?   ?       ?      ? 
1 1 1   10    1   14 o  1087.96   51.589  2373.77  219.029  2373.77  219.029   0.0000   0.0000  1087.96   51.589  ?   ?       ?      ? 
1 1 1   10    1   15 o  530.816  106.939  628.531  213.861   0.0000   0.0000  628.531  213.861  ?   ?   530.816  106.939      ?      ? 
1 1 1   10    1   16 o  1106.89   38.990  2463.03  168.403  2440.87  236.259  2485.93  240.103  1101.94   54.941  1111.83   55.338 -9.887695 77.98009 
1 1 1   10    1   17 o  615.760   27.538  749.806   66.099  712.391   91.041  791.516   96.123  599.558   38.911  631.961   38.977 -32.40350 55.07513 
1 1 1   10    1   18 o  670.606   24.929  882.569   61.673  868.439   75.502  910.902  106.914  664.040   29.136  677.172   40.458 -13.13141 49.85728 
1 1 1   10    1   19 o  186.760   20.740   68.796   15.047   69.326   20.375   68.161   22.315  187.644   27.825  185.876   30.764 1.767807 41.48090 
1 1 1   10    1   20 o  536.994   23.156  570.868   46.917  573.188   59.319  566.993   76.671  539.362   28.183  534.626   36.749 4.735901 46.31191 
1 1 1   10    1   21 o  672.329   30.549  905.914   79.902  847.272  114.829  960.960  111.252  650.408   45.241  694.250   41.064 -43.84186 61.09833 
1 1 1   10    1   22 o  518.892   29.504  531.804   59.743  531.804   59.743   0.0000   0.0000  518.892   29.504  ?   ?       ?      ? 
1 1 1   10    1   23 o  635.007   25.002  815.839   60.580  881.596   79.934  727.100   92.858  667.113   30.704  602.901   39.467 64.21216 50.00448 
1 1 1   10    1   24 o  507.823   31.629  513.010   62.679   0.0000   0.0000  513.010   62.679  ?   ?   507.823   31.629      ?      ? 
1 1 1   10    1   26 o  493.059   51.683  511.104   99.445  511.104   99.445   0.0000   0.0000  493.059   51.683  ?   ?       ?      ? 
1 1 1   10    1   27 o  256.674   34.186  133.748   34.242  133.748   34.242   0.0000   0.0000  256.674   34.186  ?   ?       ?      ? 
1 1 1   10    1   28 o  139.677   24.909   40.768   13.456   46.249   20.785   36.814   17.655  147.404   36.359  131.951   34.056 15.45276 49.81785 
1 1 1   10    1   29 o  129.954   25.037   35.873   12.989   34.849   19.678   36.663   17.290  128.356   37.157  131.553   33.569 -3.197433 50.07479 
1 1 1   10    1   30 o  431.706   58.398  482.122   94.772  470.406  134.874  493.549  133.198  423.889   84.500  439.523   80.629 -15.63443 116.7958 
1 1 1   10    1   31 o  224.968   40.279  160.641   35.034 -71.4104  128.228  179.360   36.420  154.604   74.102  295.331   31.600 -140.7275 80.55845 
1 1 1   10    1   32 o  200.083   25.188   85.457   19.203   85.149   28.109   85.727   26.295  197.553   37.839  202.614   33.256 -5.061829 50.37579 
1 1 1   10    1   33 o  254.089   40.749  201.202   37.458  228.531   41.267   73.316   89.269  330.798   31.967  177.380   74.967 153.4179 81.49854 
1 1 1   10    1   34 o  173.871   54.465   54.142   74.085  103.235  108.180   10.782  101.667  192.191   81.928  155.551   71.788 36.64011 108.9298 
1 1 1   10    1   35 o  358.015   61.872  415.732   85.360  433.776  107.339  384.687  140.790  399.579   71.460  316.451  101.025 83.12811 123.7445 
1 1 1   10    2    0 o  1007.09   25.616  2010.06  100.505  2095.39  147.416  1935.93  137.386  1026.73   36.792  987.446   35.653 39.28735 51.23271 
1 1 1   10    2    1 o  431.439   24.374  366.206   41.038   0.0000   0.0000  366.206   41.038  ?   ?   431.439   24.374      ?      ? 
1 1 1   10    2    2 o  410.918   24.422  335.047   39.147  348.200   55.875  322.366   54.862  418.908   34.180  402.927   34.891 15.98044 48.84327 
1 1 1   10    2    3 o  734.531   24.990  1077.94   68.906  1092.67   86.756  1052.79  113.410  743.298   29.909  725.764   40.043 17.53448 49.97980 
1 1 1   10    2    4 o  486.430   19.348  466.208   35.036  463.750   43.426  470.790   59.299  485.464   22.923  487.397   31.177 -1.932770 38.69662 
1 1 1   10    2    5 o  619.088   22.951  775.225   53.970  834.877   70.521  690.898   83.848  649.822   27.810  588.353   36.519 61.46936 45.90235 
1 1 1   10    2    6 o  321.330   19.121  210.818   22.901  231.884   29.348  178.018   36.621  343.250   21.910  299.409   31.342 43.84146 38.24123 
1 1 1   10    2    7 o  366.597   21.454  264.670   30.515  308.224   45.156  228.064   41.398  394.345   29.343  338.848   31.307 55.49738 42.90884 
1 1 1   10    2    8 o  337.185   45.601  239.128   38.870  238.218   41.487  245.663  111.199  346.514   30.680  327.856   85.886 18.65744 91.20121 
1 1 1   10    2    9 o  248.644   37.972  152.639   26.755  163.615   28.952   88.428   70.026  288.013   25.759  209.275   71.442 78.73782 75.94427 
1 1 1   10    2   10 f  520.329   70.248  598.412  138.483  798.938  210.826  446.230  183.662  605.854   89.171  434.803  108.571 171.0508 140.4960 
1 1 1   10    2   11 o  552.714  112.657  710.349  234.748  710.349  234.748   0.0000   0.0000  552.714  112.657  ?   ?       ?      ? 
1 1 1   10    2   13 o  674.088  127.925  1064.58  324.205  1064.58  324.205   0.0000   0.0000  674.088  127.925  ?   ?       ?      ? 
1 1 1   10    2   14 f  593.656   36.055  696.903   83.529  696.903   83.529   0.0000   0.0000  593.656   36.055  ?   ?       ?      ? 
1 1 1   10    2   15 o  720.185   39.315  1027.66  110.494  1027.66  110.494   0.0000   0.0000  720.185   39.315  ?   ?       ?      ? 
1 1 1   10    2   16 o  291.660   78.821  182.344   91.845   0.0000   0.0000  182.344   91.845  ?   ?   291.660   78.821      ?      ? 
1 1 1   10    2   17 o  552.912   52.798  588.412   54.997  580.773   56.873  698.447  215.855  543.538   26.813  562.286  102.134 -18.74847 105.5953 
1 1 1   10    2   18 o  833.537   69.885  1431.03  104.683  1422.12  107.866  1575.28  434.068  848.732   32.567  818.342  135.922 30.38959 139.7694 
1 1 1   10    2   19 o  243.194   73.905  124.545   76.343   0.0000   0.0000  124.545   76.343  ?   ?   243.194   73.905      ?      ? 
1 1 1   10    2   20 o  1112.19   56.118  2507.88  243.566  2507.88  243.566   0.0000   0.0000  1112.19   56.118  ?   ?       ?      ? 
1 1 1   10    2   21 o  1174.28   35.084  2810.59  154.846  2915.32  196.764  2640.22  250.966  1208.71   41.715  1139.84   56.421 68.87439 70.16713 
1 1 1   10    2   22 o  638.769   29.115  805.762   72.576  805.762   72.576   0.0000   0.0000  638.769   29.115  ?   ?       ?      ? 
1 1 1   10    2   23 o  719.188   26.041  1042.62   70.290  1074.43   88.912  989.594  114.783  736.281   30.944  702.095   41.894 34.18640 52.08296 
1 1 1   10    2   24 o  330.120   21.669  207.095   27.292  168.784   34.575  270.427   44.454  291.444   30.400  368.797   30.888 -77.35257 43.33892 
1 1 1   10    2   25 o  494.007   27.782  485.085   53.558  485.085   53.558   0.0000   0.0000  494.007   27.782  ?   ?       ?      ? 
1 1 1   10    2   26 o  470.167   27.956  441.275   51.293  441.275   51.293   0.0000   0.0000  470.167   27.956  ?   ?       ?      ? 
1 1 1   10    2   29 o  225.840   46.495   95.880   27.453   91.680   28.479  150.993  103.174  211.548   34.498  240.133   86.355 -28.58574 92.99080 
1 1 1   10    2   30 o   96.065   23.700   15.312   9.8381   23.592   19.450   12.465   11.405  109.730   37.649   82.400   28.798 27.33009 47.39998 
1 1 1   10    2   31 o  287.346   22.595  170.408   25.269  165.234   36.708  175.069   34.837  282.541   33.293  292.151   30.557 -9.609619 45.18965 
1 1 1   10    2   32 f  265.830   23.553  148.751   24.215  133.404   35.228  162.496   33.340  251.296   35.923  280.364   30.472 -29.06795 47.10641 
1 1 1   10    2   33 o  162.662   51.844   32.523   69.272   25.002   94.313   41.334  102.077  158.157   71.504  167.166   75.089 -9.008530 103.6878 
1 1 1   10    2   34 o  124.542   26.319   34.120   13.548   31.933   22.459   35.371   16.987  121.802   40.455  127.281   33.678 -5.479218 52.63853 
1 1 1   10    2   35 o  281.584   44.198  290.675   46.217  318.109   48.703   42.344  146.530  388.661   32.111  174.506   82.357 214.1549 88.39524 
1 1 1   10    3    0 o  611.491   22.858  755.326   53.028  815.367   69.200  669.912   82.537  642.782   27.587  580.200   36.453 62.58246 45.71568 
1 1 1   10    3    1 o  250.927   38.193  140.759   22.013  143.387   23.055  113.659   74.044  270.106   21.873  231.747   73.187 38.35947 76.38605 
1 1 1   10    3    2 o  476.704   31.471  450.265   58.544   0.0000   0.0000  450.265   58.544  ?   ?   476.704   31.471      ?      ? 
1 1 1   10    3    3 o  460.672   22.247  440.926   37.880  508.551   49.029  340.784   59.663  508.003   24.732  413.342   36.988 94.66122 44.49466 
1 1 1   10    3    4 o  464.126   24.561  430.219   44.347  457.416   61.814  401.375   63.658  479.736   33.018  448.515   36.370 31.22070 49.12225 
1 1 1   10    3    5 o  543.685   24.580  586.624   52.035  639.046   76.440  541.354   71.034  566.278   34.591  521.092   34.932 45.18628 49.16022 
1 1 1   10    3    6 o  332.006   22.220  218.859   28.764  231.607   41.143  206.672   40.229  341.561   30.867  322.450   31.970 19.11090 44.43935 
1 1 1   10    3    7 o  545.542   54.650  595.477   69.797  580.695   73.809  720.485  214.642  539.536   35.055  551.547  103.526 -12.01093 109.3004 
1 1 1   10    3    8 o  281.223   37.171  180.240   28.483  187.706   31.077  141.045   71.205  308.393   25.823  254.053   69.713 54.34016 74.34247 
1 1 1   10    3    9 o  260.817   40.144  148.207   27.504  150.740   29.318  129.617   79.433  276.357   27.185  245.277   75.546 31.08078 80.28813 
1 1 1   10    3   10 o  326.190   45.841  247.864   38.792  257.166   41.680  187.646  106.046  360.855   29.598  291.526   86.772 69.32938 91.68118 
1 1 1   10    3   11 o  324.697   32.561  208.460   41.258  208.460   41.258   0.0000   0.0000  324.697   32.561  ?   ?       ?      ? 
1 1 1   10    3   12 f  235.950   70.734  116.893   70.282  116.893   70.282   0.0000   0.0000  235.950   70.734  ?   ?       ?      ? 
1 1 1   10    3   13 o  248.580   72.714  130.368   75.012  130.368   75.012   0.0000   0.0000  248.580   72.714  ?   ?       ?      ? 
1 1 1   10    3   14 o  761.853   95.800  1350.80  278.453  1238.57  384.058  1475.18  404.307  719.594  141.809  804.112  128.844 -84.51764 191.5994 
1 1 1   10    3   15 o  512.648   52.027  582.687   51.371  589.468   53.542  504.104  182.270  547.929   25.040  477.367  100.995 70.56152 104.0532 
1 1 1   10    3   16 o  244.205   35.562  153.244   21.021  162.440   22.255   77.139   64.023  287.963   19.804  200.446   68.312 87.51727 71.12494 
1 1 1   10    3   17 o  387.849   90.694  330.029  134.817   0.0000   0.0000  330.029  134.817  ?   ?   387.849   90.694      ?      ? 
1 1 1   10    3   19 o  470.793   49.856  436.837   45.487  432.285   47.174  497.121  171.666  468.833   25.784  472.754   96.320 -3.920807 99.71124 
1 1 1   10    3   20 o  244.067   40.524  136.073   33.301  147.632   37.393   91.759   73.214  272.971   35.103  215.164   73.053 57.80699 81.04867 
1 1 1   10    3   21 o  560.336   58.101  690.141   62.387  693.502   64.930  649.736  225.121  593.100   28.053  527.571  112.765 65.52832 116.2021 
1 1 1   10    3   22 o  333.840   26.378  219.664   34.364  219.664   34.364   0.0000   0.0000  333.840   26.378  ?   ?       ?      ? 
1 1 1   10    3   23 o  699.660   56.725  799.240   69.556  771.070   71.138  1411.43  331.628  624.133   29.207  775.187  109.626 -151.0539 113.4500 
1 1 1   10    3   24 o  257.409   46.671  107.074   26.421  101.572   27.244  194.031  108.305  225.947   30.898  288.872   88.080 -62.92520 93.34242 
1 1 1   10    3   25 o  267.323   50.001   80.125   24.205   72.287   24.636  298.143  129.933  186.823   35.079  347.823   93.646 -161.0000 100.0011 
1 1 1   10    3   26 o  437.333   27.033  381.483   46.136  381.483   46.136   0.0000   0.0000  437.333   27.033  ?   ?       ?      ? 
1 1 1   10    3   27 o  643.918   41.037  857.807  103.119   0.0000   0.0000  857.807  103.119  ?   ?   643.918   41.037      ?      ? 
1 1 1   10    3   29 o  243.851   32.120  121.101   30.566  121.101   30.566   0.0000   0.0000  243.851   32.120  ?   ?       ?      ? 
1 1 1   10    3   30 o  281.694   70.414  197.108   77.193  197.108   77.193   0.0000   0.0000  281.694   70.414  ?   ?       ?      ? 
1 1 1   10    3   31 o  143.549   27.394   45.915   15.488   39.602   25.890   49.434   19.327  135.292   43.336  151.806   33.521 -16.51392 54.78709 
1 1 1   10    3   32 o  227.561   40.814   82.017   22.765  204.659   80.675   71.406   23.730  273.236   73.885  181.886   34.698 91.35020 81.62709 
1 1 1   10    3   33 o  122.138   38.799   9.1878   9.9727   66.501   84.067   8.3697   10.044  172.624   72.843   71.652   26.745 100.9716 77.59731 
1 1 1   10    3   34 o  174.581   26.682   64.777   17.176   79.969   28.576   56.183   21.492  189.142   39.967  160.020   35.359 29.12262 53.36324 
1 1 1   10    3   35 o  324.185   35.038  224.640   44.326  224.640   44.326   0.0000   0.0000  324.185   35.038  ?   ?       ?      ? 
1 1 1   10    4    0 o  504.475   21.408  514.299   40.715  550.361   52.444  459.585   64.598  528.292   25.438  480.659   34.439 47.63300 42.81550 
1 1 1   10    4    1 o  266.396   38.742  178.482   23.771  186.274   25.011  105.675   76.448  307.873   20.817  224.918   74.635 82.95522 77.48409 
1 1 1   10    4    2 o  245.391   39.333  121.869   27.823  129.727   73.608  120.559   30.053  244.240   72.198  246.541   31.237 -2.300781 78.66549 
1 1 1   10    4    3 o  335.261   44.434  254.600   39.207  213.842  103.058  261.497   42.394  307.256   83.686  363.265   29.906 -56.00885 88.86889 
1 1 1   10    4    4 o  230.088   35.768  113.782   23.988  101.734   60.957  115.989   26.094  218.018   65.991  242.158   27.613 -24.13951 71.53530 
1 1 1   10    4    5 o  465.518   33.482  431.521   60.825  431.521   60.825   0.0000   0.0000  465.518   33.482  ?   ?       ?      ? 
1 1 1   10    4    6 o  261.489   26.296  135.100   26.833  135.100   26.833   0.0000   0.0000  261.489   26.296  ?   ?       ?      ? 
1 1 1   10    4    7 o  381.093   42.373  235.972   40.615  215.715   42.875  413.038  126.762  329.296   33.365  432.891   77.902 -103.5951 84.74648 
1 1 1   10    4    8 o  805.710   64.858  1007.69  102.851  947.499  105.709  2075.72  445.288  688.241   39.359  923.180  123.601 -234.9386 129.7165 
1 1 1   10    4    9 o  341.164   42.617  212.774   35.315  204.221   37.308  286.472  109.515  321.460   29.740  360.868   79.878 -39.40823 85.23497 
1 1 1   10    4   10 o  462.388   54.519  472.823   56.899  477.618   60.190  432.539  174.470  491.564   31.377  433.211  104.425 58.35312 109.0376 
1 1 1   10    4   11 o  543.030   65.341  684.255  125.432  809.973  160.610  487.682  200.833  628.225   65.513  457.835  113.076 170.3901 130.6826 
1 1 1   10    4   12 o  694.754   80.569  1010.39  218.440  1010.39  218.440   0.0000   0.0000  694.754   80.569  ?   ?       ?      ? 
1 1 1   10    4   13 o  779.570   87.915  1282.27  267.456  1282.27  267.456   0.0000   0.0000  779.570   87.915  ?   ?       ?      ? 
1 1 1   10    4   14 f  580.201   60.292  746.300   81.564  757.257   86.936  665.771  235.683  618.943   35.993  541.459  115.086 77.48462 120.5834 
1 1 1   10    4   15 o  743.143   39.839  1094.65  115.535  1094.65  115.535   0.0000   0.0000  743.143   39.839  ?   ?       ?      ? 
1 1 1   10    4   16 o  438.186   49.945  451.830   43.938  462.996   46.043  338.004  147.006  485.659   24.294  390.713   96.891 94.94617 99.88998 
1 1 1   10    4   17 o  345.247   43.932  298.059   43.741  332.183   49.145  168.000   95.945  410.526   30.677  279.968   82.334 130.5570 87.86339 
1 1 1   10    4   18 o  647.400   65.079  1021.16   81.226  1046.56   85.082  759.928  272.874  728.635   29.923  566.164  126.673 162.4708 130.1588 
1 1 1   10    4   19 o  324.833   43.916  260.105   32.357  270.988   34.196  166.994  100.027  371.419   23.593  278.247   84.605 93.17291 87.83245 
1 1 1   10    4   20 o  625.372   52.895  699.304   62.684  683.210   64.537  967.525  263.466  588.801   28.087  661.943  101.993 -73.14154 105.7903 
1 1 1   10    4   21 o  226.001   27.582  100.684   24.326  100.684   24.326   0.0000   0.0000  226.001   27.582  ?   ?       ?      ? 
1 1 1   10    4   22 o  411.057   26.173  333.089   41.985  333.089   41.985   0.0000   0.0000  411.057   26.173  ?   ?       ?      ? 
1 1 1   10    4   23 o  350.742   48.892  258.084   36.512  256.906   38.068  271.610  129.042  360.522   27.058  340.963   93.966 19.55856 97.78439 
1 1 1   10    4   24 f  786.365   61.830  870.766   73.820  831.382   74.912  2191.61  433.827  646.659   29.686  926.071  120.044 -279.4117 123.6602 
1 1 1   10    4   25 o  269.776   48.337  149.596   29.449  148.184   30.427  170.527  117.144  272.684   28.593  266.869   92.349 5.814880 96.67447 
1 1 1   10    4   26 o  404.537   55.819  277.352   55.835  246.729   58.694  568.969  181.122  345.397   43.545  463.677  102.795 -118.2793 111.6380 
1 1 1   10    4   27 o  249.017   54.043  137.326   41.461  135.615   43.412  155.090  139.880  250.912   46.033  247.123   97.793 3.789291 108.0858 
1 1 1   10    4   28 o  270.420   53.145  120.099   28.442  113.659   29.035  272.858  141.413  236.683   31.436  304.156  101.536 -67.47328 106.2905 
1 1 1   10    4   29 o  149.979   42.239   48.714   25.774   48.714   25.774   0.0000   0.0000  149.979   42.239  ?   ?       ?      ? 
1 1 1   10    4   30 o  319.113  119.348  397.119  200.190   0.0000   0.0000  397.119  200.190  ?   ?   319.113  119.348      ?      ? 
1 1 1   10    4   31 o  327.352  123.981  498.749  217.523   0.0000   0.0000  498.749  217.523  ?   ?   327.352  123.981      ?      ? 
1 1 1   10    4   32 o  352.732   54.202  422.061   79.490  523.328   94.964  185.033  145.286  478.627   50.843  226.836   95.741 251.7914 108.4039 
1 1 1   10    4   33 o  199.047   43.869  106.793   32.820  112.116   34.436   54.024  108.424  224.655   40.781  173.439   77.684 51.21680 87.73712 
1 1 1   10    4   34 f  235.962   39.300  120.800   36.188  120.800   36.188   0.0000   0.0000  235.962   39.300  ?   ?       ?      ? 
1 1 1   10    4   35 o  330.112   35.017  233.250   45.110  233.250   45.110   0.0000   0.0000  330.112   35.017  ?   ?       ?      ? 
1 1 1   10    5    0 o  211.025   20.997   88.945   17.149   80.101   25.016   96.786   23.555  200.796   31.925  221.254   27.281 -20.45834 41.99343 
1 1 1   10    5    1 o  473.268   32.064  445.093   59.218  445.093   59.218   0.0000   0.0000  473.268   32.064  ?   ?       ?      ? 
1 1 1   10    5    2 o  327.239   18.427  211.513   23.531  211.549   33.445  211.478   33.112  327.247   26.189  327.232   25.930 0.1531982E-01 36.85441 
1 1 1   10    5    3 o  194.191   19.490   75.244   14.149   95.905   20.838   57.570   19.273  220.524   24.214  167.858   30.547 52.66521 38.97955 
1 1 1   10    5    4 o  249.069   73.932  136.469   77.062   0.0000   0.0000  136.469   77.062  ?   ?   249.069   73.932      ?      ? 
1 1 1   10    5    5 o  613.445   62.052  792.213   86.402  779.641   91.263  900.888  268.326  624.216   37.465  602.673  118.314 21.54364 124.1044 
1 1 1   10    5    6 o  696.222   39.032  970.973  106.048  970.973  106.048   0.0000   0.0000  696.222   39.032  ?   ?       ?      ? 
1 1 1   10    5    7 o  411.007   40.477  257.718   42.867  232.962   45.107  488.490  137.721  342.370   33.761  479.644   73.579 -137.2739 80.95447 
1 1 1   10    5    8 o  618.209   59.668  763.406   79.768  748.582   83.585  914.686  267.016  613.914   34.889  622.503  114.122 -8.588867 119.3365 
1 1 1   10    5    9 o  129.218   44.042   31.069   26.611   31.069   26.611   0.0000   0.0000  129.218   44.042  ?   ?       ?      ? 
1 1 1   10    5   10 o  510.405   65.147  535.006  129.759  535.006  129.759   0.0000   0.0000  510.405   65.147  ?   ?       ?      ? 
1 1 1   10    5   11 o  252.551   49.069  131.956   46.617  131.956   46.617   0.0000   0.0000  252.551   49.069  ?   ?       ?      ? 
1 1 1   10    5   12 o  131.389   39.857   34.488   22.219   34.488   22.219   0.0000   0.0000  131.389   39.857  ?   ?       ?      ? 
1 1 1   10    5   13 o  424.109   55.170  409.819   83.835  499.467  107.419  270.135  134.087  498.236   55.248  349.981   95.512 148.2552 110.3395 
1 1 1   10    5   14 o  904.850   97.882  1946.41  312.501  2048.59  388.984  1760.42  524.797  975.034  102.231  834.667  166.950 140.3670 195.7638 
1 1 1   10    5   15 o  495.284   52.081  532.552   63.170  540.276   67.772  481.413  174.394  523.318   33.186  467.251   98.734 56.06622 104.1618 
1 1 1   10    5   16 f  201.917   32.149  100.325   19.878  110.205   21.700   48.798   49.554  236.977   23.465  166.856   59.863 70.12115 64.29790 
1 1 1   10    5   17 o  1136.27  105.234  3205.67  204.898  3230.39  212.427  2875.44  776.518  1273.86   42.732  998.672  206.085 275.1858 210.4689 
1 1 1   10    5   18 o  552.025   56.376  705.578   60.450  717.937   63.183  571.916  207.784  604.044   26.804  500.005  109.520 104.0392 112.7522 
1 1 1   10    5   19 o  549.348   57.934  683.966   61.964  692.085   64.675  593.186  216.264  592.716   27.961  505.981  112.444 86.73544 115.8686 
1 1 1   10    5   20 o  514.117   27.699  520.833   55.572  520.833   55.572   0.0000   0.0000  514.117   27.699  ?   ?       ?      ? 
1 1 1   10    5   21 o  843.766   32.949  1410.14  108.490  1410.14  108.490   0.0000   0.0000  843.766   32.949  ?   ?       ?      ? 
1 1 1   10    5   22 o  642.914   29.019  817.226   72.806  817.226   72.806   0.0000   0.0000  642.914   29.019  ?   ?       ?      ? 
1 1 1   10    5   23 o  258.426   44.548  157.867   29.008  162.692   30.295  104.671  100.588  286.787   27.070  230.064   84.883 56.72220 89.09518 
1 1 1   10    5   24 o  589.028   64.849  777.755   69.271  773.810   71.723  832.503  267.180  623.602   29.473  554.453  126.304 69.14819 129.6973 
1 1 1   10    5   25 o  318.690   51.423  222.863   34.744  221.846   35.957  237.188  134.912  333.693   27.612  303.688   99.071 30.00464 102.8469 
1 1 1   10    5   26 o  119.398   40.493 -29.4783   32.328 -27.7542   34.270 -43.4060   97.404   87.803   40.917  150.992   69.888 -63.18887 80.98540 
1 1 1   10    5   28 o  177.481   43.631   69.313   25.733   74.013   26.252 -46.2410  130.174  186.638   37.347  168.325   78.867 18.31241 87.26270 
1 1 1   10    5   29 o  424.387  146.106  803.770  293.034   0.0000   0.0000  803.770  293.034  ?   ?   424.387  146.106      ?      ? 
1 1 1   10    5   30 o  329.732  124.361  460.627  218.277   0.0000   0.0000  460.627  218.277  ?   ?   329.732  124.361      ?      ? 
1 1 1   10    5   31 o  260.259   53.398  181.981   47.874  181.845   50.690  183.098  145.666  288.173   45.075  232.345   96.817 55.82736 106.7959 
1 1 1   10    5   32 o  185.652   43.590   87.796   31.897   92.450   33.663   46.893   99.796  201.941   43.963  169.362   75.282 32.57944 87.17915 
1 1 1   10    5   33 o  187.717   41.371   98.678   32.678  109.341   34.404   0.3314  104.484  221.387   41.343  154.046   71.673 67.34091 82.74203 
1 1 1   10    5   34 o  275.720   38.201  164.255   41.103  164.255   41.103   0.0000   0.0000  275.720   38.201  ?   ?       ?      ? 
1 1 1   10    6    0 o  146.380   22.882   44.188   12.725   41.913   17.781   46.575   18.218  142.418   32.685  150.342   32.033 -7.923279 45.76497 
1 1 1   10    6    1 o  156.087   26.779   50.454   16.052   52.551   24.275   48.825   21.397  158.811   39.367  153.362   36.314 5.449432 53.55770 
1 1 1   10    6    2 o  258.773   40.327  148.387   32.306  153.567   35.746  125.291   75.475  277.797   32.974  239.749   73.606 38.04803 80.65429 
1 1 1   10    6    3 o  254.710   40.470  136.536   29.849  137.070   32.319  133.440   77.838  262.695   31.527  246.725   74.547 15.97008 80.93912 
1 1 1   10    6    4 o  257.412   51.910  145.085   55.175  120.023   76.876  171.710   79.236  235.889   74.582  278.934   72.224 -43.04576 103.8209 
1 1 1   10    6    5 o  394.404   66.091  358.754  100.279  329.124  139.947  390.021  143.760  376.171   95.240  412.637   91.661 -36.46524 132.1830 
1 1 1   10    6    6 o  389.127   93.010  346.775  139.318  346.775  139.318   0.0000   0.0000  389.127   93.010  ?   ?       ?      ? 
1 1 1   10    6    7 o  493.802   72.658  558.439  135.461  468.889  184.870  662.262  199.058  446.783  107.366  540.820   97.923 -94.03757 145.3150 
1 1 1   10    6    8 o  642.407   64.046  850.948  150.082  776.908  179.720  1021.57  272.820  608.050   75.740  676.765  103.301 -68.71442 128.0927 
1 1 1   10    6    9 o  489.261   55.812  495.632   97.730  469.747  118.615  550.349  172.454  478.768   63.487  499.753   91.811 -20.98441 111.6233 
1 1 1   10    6   10 o  273.862   45.897  168.723   48.868  202.068   60.517  106.230   82.848  317.428   48.854  230.296   77.713 87.13135 91.79310 
1 1 1   10    6   11 o  258.685   45.384  150.812   46.665  182.240   56.921   86.395   81.493  301.782   48.334  215.589   76.830 86.19315 90.76846 
1 1 1   10    6   12 o  741.905   82.245  1149.35  238.117  1149.35  238.117   0.0000   0.0000  741.905   82.245  ?   ?       ?      ? 
1 1 1   10    6   13 o  464.619   59.260  484.547   97.921  550.441  123.024  370.631  161.755  521.645   60.434  407.593  101.954 114.0522 118.5192 
1 1 1   10    6   14 o  217.043   43.465  101.461   38.191  115.247   46.618   73.327   66.596  235.468   52.112  198.618   69.579 36.84996 86.93008 
1 1 1   10    6   15 o  269.152   47.983  153.191   48.484  154.504   59.380  150.564   83.977  271.999   57.728  266.305   76.662 5.693634 95.96645 
1 1 1   10    6   16 o  268.584   48.496  150.347   49.225  143.805   60.849  162.735   83.737  261.375   60.803  275.792   75.567 -14.41693 96.99152 
1 1 1   10    6   17 o  715.120   68.866  1377.04  132.818  1594.98  152.433  689.943  270.660  894.427   43.672  535.813  130.626 358.6142 137.7327 
1 1 1   10    6   18 o  857.321   32.715  1452.60  109.451  1452.60  109.451   0.0000   0.0000  857.321   32.715  ?   ?       ?      ? 
1 1 1   10    6   19 o  666.305   29.999  876.053   78.003  876.053   78.003   0.0000   0.0000  666.305   29.999  ?   ?       ?      ? 
1 1 1   10    6   20 o  294.819   39.458  253.597   31.085  285.174   33.797   80.196   79.199  380.998   22.731  208.641   75.571 172.3569 78.91602 
1 1 1   10    6   21 o  794.892   32.312  1251.62  100.230  1251.62  100.230   0.0000   0.0000  794.892   32.312  ?   ?       ?      ? 
1 1 1   10    6   22 o  280.086   42.413  225.138   33.280  247.424   35.542   66.589   94.800  354.134   25.718  206.038   80.833 148.0951 84.82578 
1 1 1   10    6   23 o  426.038   54.317  433.702   47.311  440.794   49.482  358.151  161.499  471.859   26.872  380.217  105.258 91.64230 108.6343 
1 1 1   10    6   24 o  660.709   70.816  979.921   80.461  970.528   82.997  1126.59  327.965  697.388   30.497  624.030  138.310 73.35791 141.6324 
1 1 1   10    6   25 o  318.616   52.149  266.550   55.764  290.629   62.143  167.004  126.353  376.120   42.338  261.111   95.319 115.0092 104.2987 
1 1 1   10    6   27 o  369.414   61.355  350.740   65.962  350.398   70.918  352.931  179.601  408.245   44.515  330.584  114.351 77.66165 122.7094 
1 1 1   10    6   28 o  411.383   65.931  360.203   67.958  332.557   71.543  615.466  217.391  395.529   46.351  427.237  123.447 -31.70789 131.8623 
1 1 1   10    6   29 o  276.460  112.145  266.554  188.683   0.0000   0.0000  266.554  188.683  ?   ?   276.460  112.145      ?      ? 
1 1 1   10    6   30 o  302.267   59.133  214.347   38.752  209.583   39.571  325.856  191.455  319.297   31.758  285.236  113.923 34.06165 118.2663 
1 1 1   10    6   31 o  245.559   56.071  171.756   52.849  172.571   55.686  164.367  167.721  270.265   54.677  220.852   97.910 49.41296 112.1422 
1 1 1   10    6   32 o  260.782   49.082  201.905   39.622  206.643   41.103  139.691  148.940  313.556   33.591  208.008   92.238 105.5476 98.16441 
1 1 1   10    6   33 o  163.886   41.256   69.466   32.841   82.533   34.093 -98.6916  122.302  188.439   46.618  139.333   68.080 49.10602 82.51173 
1 1 1   10    6   34 o  365.728   34.181  283.881   48.784  283.881   48.784   0.0000   0.0000  365.728   34.181  ?   ?       ?      ? 
1 1 1   10    7    0 o  172.997   33.916   62.615   20.377   64.488   22.557   54.308   47.504  177.240   33.847  168.754   58.785 8.486145 67.83273 
1 1 1   10    7    1 o   63.868   18.880   1.5758   7.8268   2.1499   10.413   0.8305   11.866   62.909   26.022   64.827   27.362 -1.918476 37.76014 
1 1 1   10    7    2 o  661.094   66.560  924.852   97.284  910.596  102.451  1055.60  310.263  674.560   38.919  647.628  127.303 26.93182 133.1192 
1 1 1   10    7    3 o  367.834   47.789  286.929   48.034  286.466   52.168  289.509  123.120  379.312   35.243  356.356   88.844 22.95538 95.57856 
1 1 1   10    7    4 o  294.020   43.496  168.983   37.644  162.467   41.088  203.044   93.938  285.509   36.877  302.531   78.788 -17.02188 86.99157 
1 1 1   10    7    5 o  719.093  144.870  1338.25  392.481   0.0000   0.0000  1338.25  392.481  ?   ?   719.093  144.870      ?      ? 
1 1 1   10    7    7 o  406.684   45.837  311.323   68.417  260.196   81.581  432.523  125.607  357.228   58.521  456.139   70.564 -98.91162 91.67336 
1 1 1   10    7    8 f  558.626   63.554  665.752  126.667  645.629  154.307  707.327  221.794  558.276   70.828  558.977  105.546 -0.7002563 127.1088 
1 1 1   10    7    9 o  516.830   60.233  566.607  111.113  556.830  135.742  586.460  193.436  520.908   66.776  512.753  100.264 8.155334 120.4656 
1 1 1   10    7   10 o  523.157   64.440  615.801  119.488  677.544  149.273  505.678  199.353  575.530   66.463  470.783  110.420 104.7474 128.8793 
1 1 1   10    7   11 o  525.058   63.076  611.696  117.291  662.530  146.048  519.346  196.850  570.051   65.652  480.065  107.723 89.98608 126.1529 
1 1 1   10    7   12 o  373.777   88.944  304.758  127.857  304.758  127.857   0.0000   0.0000  373.777   88.944  ?   ?       ?      ? 
1 1 1   10    7   13 o  361.623   87.693  284.632  122.476  284.632  122.476   0.0000   0.0000  361.623   87.693  ?   ?       ?      ? 
1 1 1   10    7   14 o  781.998   87.792  1286.42  267.911  1286.42  267.911   0.0000   0.0000  781.998   87.792  ?   ?       ?      ? 
1 1 1   10    7   15 o  186.907   63.094   67.238   54.610   67.238   54.610   0.0000   0.0000  186.907   63.094  ?   ?       ?      ? 
1 1 1   10    7   16 o  477.416  102.759  511.462  185.777  511.462  185.777   0.0000   0.0000  477.416  102.759  ?   ?       ?      ? 
1 1 1   10    7   17 o  195.025   46.249   70.645   40.918   95.552   65.699   54.861   52.299  216.213   69.010  173.837   61.591 42.37628 92.49818 
1 1 1   10    7   18 o  339.681   38.894  335.096   39.892  437.895   47.284   81.254   74.303  471.817   25.681  207.546   73.426 264.2719 77.78763 
1 1 1   10    7   19 o  672.994   66.247  1032.78   83.524  1041.52   86.924  927.553  301.584  726.223   30.672  619.765  128.896 106.4584 132.4947 
1 1 1   10    7   20 o  356.687   46.326  333.221   39.848  355.843   42.742  182.930  110.167  425.102   25.765  288.272   88.998 136.8294 92.65279 
1 1 1   10    7   21 o  479.048   29.164  453.693   54.521  453.693   54.521   0.0000   0.0000  479.048   29.164  ?   ?       ?      ? 
1 1 1   10    7   22 o  1036.14   38.569  2151.83  155.952  2151.83  155.952   0.0000   0.0000  1036.14   38.569  ?   ?       ?      ? 
1 1 1   10    7   23 o  255.528   43.645  162.049   30.430  169.727   32.065   92.473   96.525  292.406   28.100  218.649   82.643 73.75691 87.28967 
1 1 1   10    7   24 o  155.294   44.396   31.619   40.897   36.488   51.494   23.300   67.305  153.312   59.733  157.276   65.697 -3.964523 88.79278 
1 1 1   10    7   25 o  149.053   43.270 -27.6338   42.245 -81.2420   50.740   93.492   76.270   91.281   44.436  206.825   74.261 -115.5438 86.54018 
1 1 1   10    7   27 o  261.173  100.138  193.464  143.004   0.0000   0.0000  193.464  143.004  ?   ?   261.173  100.138      ?      ? 
1 1 1   10    7   28 o  229.104   96.522  127.326  147.232   0.0000   0.0000  127.326  147.232  ?   ?   229.104   96.522      ?      ? 
1 1 1   10    7   30 o  200.853   49.681   90.720   29.961   92.027   30.441   50.283  169.346  205.640   39.367  196.065   91.231 9.574738 99.36230 
1 1 1   10    7   31 f  233.530   60.292  151.955   58.430  145.653   61.717  206.437  181.464  237.832   64.755  229.228  101.722 8.603989 120.5840 
1 1 1   10    7   32 o  183.547   47.567   84.798   34.708   90.046   35.377 -50.1005  179.357  197.203   46.692  169.891   82.888 27.31216 95.13431 
1 1 1   10    7   33 o  152.901   50.952   54.545   35.615   54.545   35.615   0.0000   0.0000  152.901   50.952  ?   ?       ?      ? 
1 1 1   10    7   34 o  179.970   45.804   91.676   50.388  128.528   55.094 -96.8003  124.594  221.512   61.534  138.428   67.864 83.08408 91.60764 
1 1 1   10    8    0 o  435.426   50.235  425.964   55.478  435.343   59.929  369.764  146.699  468.600   32.772  402.252   94.975 66.34796 100.4698 
1 1 1   10    8    1 o  359.290   44.322  247.445   41.590  238.898   44.541  305.613  116.192  347.129   32.880  371.452   82.321 -24.32318 88.64468 
1 1 1   10    8    2 f  331.980   42.446  262.339   39.125  279.839   43.184  182.152   92.437  376.341   29.404  287.618   79.636 88.72330 84.89130 
1 1 1   10    8    3 o  678.685  135.038  1147.76  345.066   0.0000   0.0000  1147.76  345.066  ?   ?   678.685  135.038      ?      ? 
1 1 1   10    8    4 o  336.542   58.523  248.957   76.847  204.067  106.064  298.563  111.497  303.535   85.755  369.549   79.660 -66.01443 117.0457 
1 1 1   10    8    5 o  421.645   66.920  398.829  107.534  356.211  149.234  444.857  155.087  396.278   97.232  447.012   91.973 -50.73318 133.8399 
1 1 1   10    8    6 o  375.796   89.993  313.868  130.232  313.868  130.232   0.0000   0.0000  375.796   89.993  ?   ?       ?      ? 
1 1 1   10    8    7 o  978.596   92.285  2026.46  318.469  1748.75  369.395  2830.52  628.545  888.596  106.526  1068.60  150.727 -180.0008 184.5706 
1 1 1   10    8    8 o  116.498   31.430   18.210   19.055   14.977   23.520   24.387   32.505  105.532   40.576  127.463   48.009 -21.93034 62.85921 
1 1 1   10    8    9 o  409.077   54.321  342.748   79.824  323.556   96.742  383.687  141.295  398.965   62.137  419.189   89.118 -20.22397 108.6418 
1 1 1   10    8   10 f  494.453   59.096  502.361  104.145  473.774  125.741  564.817  185.857  481.718   66.889  507.187   97.444 -25.46841 118.1920 
1 1 1   10    8   11 o  194.552   40.715   64.353   28.892   51.528   32.719  109.749   61.557  159.905   48.336  229.198   65.532 -69.29236 81.43015 
1 1 1   10    8   12 o  816.782   91.011  1409.39  290.090  1409.39  290.090   0.0000   0.0000  816.782   91.011  ?   ?       ?      ? 
1 1 1   10    8   13 o  1070.36  115.761  2847.36  436.470  2895.82  538.631  2754.68  744.870  1136.51  121.447  1004.21  197.112 132.3008 231.5219 
1 1 1   10    8   14 o  433.635   58.874  414.818   91.385  446.955  112.836  353.556  155.791  469.372   61.603  397.898  100.348 71.47443 117.7480 
1 1 1   10    8   15 o  282.189   45.376  167.305   46.565  166.437   56.745  169.096   81.480  283.405   53.264  280.973   73.477 2.432037 90.75233 
1 1 1   10    8   16 o  525.610   63.070  603.950  118.173  622.294  145.968  569.058  201.314  550.138   67.991  501.082  106.248 49.05539 126.1405 
1 1 1   10    8   17 o  357.693   51.082  249.369   65.464  200.578   78.804  358.018  117.595  306.783   67.644  408.603   76.562 -101.8207 102.1639 
1 1 1   10    8   18 o  394.789   55.845  354.271   81.386  420.934  104.549  251.746  129.657  454.579   58.936  334.999   94.874 119.5803 111.6890 
1 1 1   10    8   19 o  263.267   54.984  148.505   60.547  129.433   83.119  170.066   88.377  247.063   77.475  279.472   78.042 -32.40849 109.9677 
1 1 1   10    8   20 o  486.046   28.868  466.605   54.756  466.605   54.756   0.0000   0.0000  486.046   28.868  ?   ?       ?      ? 
1 1 1   10    8   21 o  271.580   42.761  164.227   31.113  167.841   33.201  138.177   89.132  291.195   29.217  251.964   80.376 39.23082 85.52189 
1 1 1   10    8   22 o  597.024   53.897  736.357  125.570  736.357  125.570   0.0000   0.0000  597.024   53.897  ?   ?       ?      ? 
1 1 1   10    8   23 o  194.769   43.715   52.412   42.678  156.005   69.662  -9.8327   53.998  263.770   67.421  125.768   55.666 138.0020 87.43096 
1 1 1   10    8   24 o  275.125   46.503  179.246   31.837  182.463   33.304  145.101  108.500  302.322   28.229  247.929   88.620 54.39352 93.00694 
1 1 1   10    8   25 o  177.037   39.684   70.870   23.507   75.502   24.410   11.654   87.274  190.389   34.106  163.684   71.665 26.70515 79.36720 
1 1 1   10    8   26 o  137.885   63.134 -25.9381   76.509   0.0000   0.0000 -25.9381   76.509  ?   ?   137.885   63.134      ?      ? 
1 1 1   10    8   27 o  319.520   51.131  317.486   67.748  391.808   77.409   74.253  140.038  429.663   46.167  209.376   91.248 220.2866 102.2622 
1 1 1   10    8   30 o  268.585   53.480  195.010   37.165  195.228   37.952  189.924  183.475  307.162   31.662  230.008  102.166 77.15369 106.9594 
1 1 1   10    8   31 o  279.703   55.186  270.857   73.548  304.818   81.195  115.615  173.596  356.556   58.354  202.850   93.683 153.7063 110.3710 
1 1 1   10    8   32 o  362.531   58.251  317.116   82.410  317.116   82.410   0.0000   0.0000  362.531   58.251  ?   ?       ?      ? 
1 1 1   10    8   33 o  203.570   45.975   96.018   35.660   96.018   35.660   0.0000   0.0000  203.570   45.975  ?   ?       ?      ? 
1 1 1   10    8   34 o  332.440   50.780  413.445   54.180  435.591   56.904  198.577  177.248  454.121   32.110  210.758   96.351 243.3622 101.5605 
1 1 1   10    9    0 o  197.792   32.261   85.575   21.667   91.454   24.627   65.428   45.588  215.293   29.312  180.292   57.479 35.00148 64.52166 
1 1 1   10    9    1 o  335.540   44.508  213.227   40.295  204.690   43.303  268.344  110.032  321.415   34.524  349.666   82.049 -28.25076 89.01678 
1 1 1   10    9    2 o  369.410   62.540  302.451   89.127  271.620  124.196  335.188  127.977  348.896   90.462  389.924   86.379 -41.02783 125.0790 
1 1 1   10    9    3 o  193.491   63.205   74.876   54.904   0.0000   0.0000   74.876   54.904  ?   ?   193.491   63.205      ?      ? 
1 1 1   10    9    4 o  915.242  129.325  2307.69  445.505  2153.71  615.896  2476.67  645.204  878.302  185.509  952.183  180.238 -73.88123 258.6494 
1 1 1   10    9    5 o  511.270   70.899  574.545  138.518  483.443  189.028  680.200  203.567  459.938  107.284  562.601   92.720 -102.6623 141.7986 
1 1 1   10    9    6 o  232.703   70.280  113.200   69.194  113.200   69.194   0.0000   0.0000  232.703   70.280  ?   ?       ?      ? 
1 1 1   10    9    7 o  514.944   70.001  574.751  137.264  464.825  185.485  707.832  204.087  452.975  106.690  576.913   90.651 -123.9373 140.0013 
1 1 1   10    9    8 o  402.335   65.452  355.968  100.630  349.251  141.373  362.865  143.271  398.368   92.684  406.303   92.442 -7.935059 130.9038 
1 1 1   10    9    9 o  809.166   80.709  1421.63  238.093  1374.94  288.671  1520.95  421.077  805.501   91.834  812.830  132.749 -7.329224 161.4179 
1 1 1   10    9   10 o  857.107   91.558  1695.28  277.353  1731.38  341.711  1625.58  474.812  900.272   97.264  813.942  155.148 86.32922 183.1157 
1 1 1   10    9   11 o  448.341   55.404  400.214   87.831  365.294  104.599  483.696  161.731  424.311   63.170  472.372   91.037 -48.06076 110.8073 
1 1 1   10    9   12 o  645.481   52.604  858.015  132.450  892.825  189.596  824.833  185.108  658.544   73.776  632.418   75.005 26.12646 105.2074 
1 1 1   10    9   13 o  392.164   53.328  345.185   75.054  396.691   93.938  254.268  124.807  444.114   54.202  340.214   91.857 103.8996 106.6566 
1 1 1   10    9   14 o  344.209   48.068  253.251   59.482  265.659   72.974  228.686  102.677  363.730   51.411  324.689   81.235 39.04074 96.13695 
1 1 1   10    9   15 o  768.160   82.470  1348.09  224.598  1371.50  276.897  1303.06  384.011  802.918   88.372  733.402  139.268 69.51605 164.9396 
1 1 1   10    9   16 o  316.793   58.991  209.814   70.245  209.814   70.245   0.0000   0.0000  316.793   58.991  ?   ?       ?      ? 
1 1 1   10    9   17 o  359.324   63.566  286.418   89.957  225.271  125.054  351.990  129.499  318.145   94.122  400.503   85.461 -82.35748 127.1318 
1 1 1   10    9   18 o  663.669   93.212  1072.61  232.890  1080.16  331.031  1065.22  327.707  665.784  132.073  661.554  131.568 4.229553 186.4231 
1 1 1   10    9   19 o  549.318   72.884  654.356  150.387  936.098  239.655  471.347  193.150  652.727   94.085  445.910  111.338 206.8174 145.7676 
1 1 1   10    9   20 o  224.853   59.163   77.570   55.309  140.342  134.586   64.815   60.668  263.819   98.017  185.888   66.285 77.93153 118.3260 
1 1 1   10    9   21 o  201.197   50.513   40.178   41.087  164.457  100.277   15.104   45.042  270.112   85.157  132.282   54.357 137.8304 101.0269 
1 1 1   10    9   22 o  761.964   44.096  1182.49  131.118  1182.49  131.118   0.0000   0.0000  761.964   44.096  ?   ?       ?      ? 
1 1 1   10    9   23 o  135.336   33.845   35.192   16.374   38.350   17.012  -4.5887   60.374  135.647   32.553  135.025   59.349 0.6216736 67.69057 
1 1 1   10    9   24 o  398.000   55.077  415.386   49.474  426.802   52.169  313.367  155.952  461.543   28.964  334.457  106.279 127.0857 110.1549 
1 1 1   10    9   25 o  227.206   45.121  112.565   27.277  113.038   28.266  106.154  104.056  236.655   30.606  217.757   84.894 18.89818 90.24240 
1 1 1   10    9   26 o  333.511   50.748  316.302   76.305  474.175   97.095   61.322  123.395  467.092   53.268  199.930   86.393 267.1624 101.4953 
1 1 1   10    9   28 o  255.920   69.743  162.865   71.554  162.865   71.554   0.0000   0.0000  255.920   69.743  ?   ?       ?      ? 
1 1 1   10    9   29 o  244.684   53.412  132.213   32.483  129.701   33.147  193.083  163.159  249.965   33.981  239.402  101.275 10.56291 106.8236 
1 1 1   10    9   30 o  200.043   44.972  103.759   29.884  108.231   30.390 -27.0252  164.344  227.142   34.285  172.945   83.154 54.19731 89.94498 
1 1 1   10    9   31 o  384.431   30.586  306.922   45.885  306.922   45.885   0.0000   0.0000  384.431   30.586  ?   ?       ?      ? 
1 1 1   10    9   32 o  255.375   37.002  139.580   36.875  139.580   36.875   0.0000   0.0000  255.375   37.002  ?   ?       ?      ? 
1 1 1   10    9   33 o  265.500   45.870  238.827   43.792  254.990   45.960   79.473  144.312  346.710   33.969  184.289   85.219 162.4209 91.73931 
1 1 1   10   10    0 o  518.172   53.832  571.721   69.539  574.211   74.678  555.478  190.752  538.543   35.534  497.801  101.631 40.74179 107.6642 
1 1 1   10   10    1 o  344.211   59.895  258.763   80.156  226.654  111.528  293.069  115.281  321.379   86.859  367.043   82.492 -45.66391 119.7895 
1 1 1   10   10    2 o  444.271   69.044  440.084  116.439  447.810  165.191  432.454  164.152  448.473   97.194  440.070   98.091 8.402557 138.0886 
1 1 1   10   10    3 o  650.697  124.784  988.692  305.333   0.0000   0.0000  988.692  305.333  ?   ?   650.697  124.784      ?      ? 
1 1 1   10   10    4 o  415.322   63.594  374.900  100.368  297.949  136.649  465.045  147.901  366.230   94.856  464.413   84.731 -98.18240 127.1888 
1 1 1   10   10    5 o  404.116   65.539  359.743  101.161  365.180  143.365  354.352  142.764  407.372   92.317  400.860   93.053 6.512329 131.0774 
1 1 1   10   10    6 o  333.238   61.859  231.758   77.481  231.758   77.481   0.0000   0.0000  333.238   61.859  ?   ?       ?      ? 
1 1 1   10   10    7 o  510.956   63.321  576.164  115.270  617.395  143.441  500.991  193.681  550.090   66.820  471.821  107.579 78.26907 126.6416 
1 1 1   10   10    8 o  867.006   82.611  1586.36  259.123  1453.88  308.583  1903.15  477.189  825.895   95.745  908.117  134.653 -82.22217 165.2226 
1 1 1   10   10    9 o  665.198   66.124  889.408  160.062  807.697  190.968  1082.37  293.462  624.528   78.357  705.868  106.536 -81.33917 132.2487 
1 1 1   10   10   10 o  234.471   46.773  112.674   42.168  110.186   50.410  118.473   76.953  229.558   56.624  239.384   74.461 -9.825485 93.54539 
1 1 1   10   10   11 o  796.859  104.603  1535.44  313.258  1588.55  445.840  1483.65  440.239  812.815  145.921  780.903  149.915 31.91174 209.2062 
1 1 1   10   10   12 f  220.767   48.246   95.842   46.040  130.990   70.838   70.135   60.581  248.989   69.990  192.545   66.423 56.44362 96.49213 
1 1 1   10   10   13 o  499.036  104.107  558.839  196.183  558.839  196.183   0.0000   0.0000  499.036  104.107  ?   ?       ?      ? 
1 1 1   10   10   14 o  791.825  106.997  1565.94  318.565  1583.15  450.663  1548.76  450.376  797.392  150.340  786.257  152.285 11.13519 213.9932 
1 1 1   10   10   15 o  473.856   70.099  496.386  128.046  614.890  186.291  390.263  176.290  536.299   89.013  411.413  108.317 124.8869 140.1990 
1 1 1   10   10   16 f  278.302   59.014  168.503   69.667  188.764   94.598  144.491  102.983  294.292   80.187  262.312   86.605 31.97919 118.0274 
1 1 1   10   10   17 o  558.134   69.494  721.576  137.579  796.124  172.261  590.261  228.624  618.544   71.365  497.723  119.268 120.8212 138.9881 
1 1 1   10   10   18 o  241.575   50.397  120.721   49.483  107.105   62.309  143.974   81.426  224.974   66.404  258.177   75.827 -33.20212 100.7931 
1 1 1   10   10   19 o  153.706   42.560   31.641   36.999   38.332   55.049   26.129   49.968  160.755   62.003  146.657   58.318 14.09773 85.11977 
1 1 1   10   10   20 o  369.911   56.715  311.294   81.828  404.352  113.404  210.221  118.188  438.126   66.328  301.696   92.016 136.4298 113.4299 
1 1 1   10   10   21 o  337.956   58.350  245.441   77.785  392.334  125.141  152.953   99.298  416.202   79.954  259.711   85.008 156.4909 116.7004 
1 1 1   10   10   22 o   92.603   27.823   9.1631   9.0331   10.192   9.2355 -13.5486   43.388   75.135   25.934  110.070   49.233 -34.93534 55.64556 
1 1 1   10   10   23 f  233.377   41.437  137.955   29.930  147.091   31.885   70.252   86.800  270.866   30.165  195.887   77.189 74.97873 82.87344 
1 1 1   10   10   24 o  374.175   54.506  349.410   47.027  353.616   49.474  310.012  151.414  419.042   30.254  329.308  104.729 89.73386 109.0118 
1 1 1   10   10   25 o  246.890   45.050  162.167   33.051  170.307   34.606   77.644  111.511  290.204   30.557  203.575   84.759 86.62872 90.09935 
1 1 1   10   10   26 o  178.279   39.740   70.438   21.829   73.692   22.431   12.286   94.825  190.792   30.127  165.766   73.548 25.02629 79.47910 
1 1 1   10   10   27 o  364.677   56.334  420.407   51.141  437.280   53.336  227.923  180.143  464.476   29.425  264.876  108.758 199.5999 112.6686 
1 1 1   10   10   28 o  272.628   47.691  236.287   38.834  248.191   39.972   36.144  163.900  349.065   29.344  196.191   90.756 152.8736 95.38211 
1 1 1   10   10   29 o  467.753   29.687  449.519   54.190  449.519   54.190   0.0000   0.0000  467.753   29.687  ?   ?       ?      ? 
1 1 1   10   10   30 o  109.483   51.103 -27.8515   53.801 -27.8515   53.801   0.0000   0.0000  109.483   51.103  ?   ?       ?      ? 
1 1 1   10   10   31 o  207.321   37.877  140.929   32.735  158.010   33.676 -152.0013  139.458  275.311   31.345  139.331   68.966 135.9795 75.75491 
1 1 1   10   10   32 o  235.009   48.472  151.949   35.830  153.275   36.953  131.124  146.475  268.411   35.279  201.608   90.297 66.80276 96.94414 
1 1 1   10   10   33 o  213.220   48.370  116.945   34.058  115.155   35.339  140.292  127.626  225.666   41.664  200.775   87.309 24.89183 96.74019 
1 1 1   10   11    0 f  167.294   40.443   52.006   31.977   41.612   45.015   62.592   45.431  156.667   56.939  177.921   57.450 -21.25348 80.88618 
1 1 1   10   11    1 o  478.237  101.202  508.650  182.980  508.650  182.980   0.0000   0.0000  478.237  101.202  ?   ?       ?      ? 
1 1 1   10   11    2 o  482.745  101.665  518.204  185.473  518.204  185.473   0.0000   0.0000  482.745  101.665  ?   ?       ?      ? 
1 1 1   10   11    3 o  370.904   88.864  300.703  126.936  300.703  126.936   0.0000   0.0000  370.904   88.864  ?   ?       ?      ? 
1 1 1   10   11    4 o  540.316   76.576  653.578  155.830  633.108  218.849  674.629  221.937  530.919  109.272  549.713  107.309 -18.79382 153.1523 
1 1 1   10   11    5 o  696.698   75.840  1067.97  187.988  1073.78  231.035  1056.59  323.384  717.497   82.513  675.899  127.274 41.59766 151.6809 
1 1 1   10   11    6 o  621.581   69.642  831.359  154.287  823.813  188.879  846.491  267.469  631.440   76.651  611.723  116.294 19.71643 139.2831 
1 1 1   10   11    7 o  601.317   68.302  782.834  146.308  791.099  179.965  766.723  251.263  619.841   74.400  582.792  114.564 37.04987 136.6031 
1 1 1   10   11    8 o  911.796   84.532  1708.46  275.467  1505.44  322.972  2250.35  527.660  838.474   98.706  985.118  137.257 -146.6433 169.0631 
1 1 1   10   11    9 o  317.120   47.697  199.028   54.031  174.869   64.924  253.455   97.450  289.345   59.486  344.895   74.576 -55.54922 95.39449 
1 1 1   10   11   10 o  472.066   60.593  477.634  101.745  483.545  124.193  465.568  177.431  487.142   65.329  456.991  102.070 30.15070 121.1863 
1 1 1   10   11   11 o  565.293   54.519  605.223  110.279  526.633  128.997  818.628  212.567  508.052   65.064  622.534   87.499 -114.4822 109.0379 
1 1 1   10   11   12 o  510.226   46.989  534.140   93.362  560.995  130.457  505.946  133.669  524.356   63.754  496.095   69.045 28.26111 93.97806 
1 1 1   10   11   13 o  283.652   58.125  168.236   66.918  144.106   85.510  206.363  107.486  260.164   78.028  307.141   86.172 -46.97647 116.2500 
1 1 1   10   11   14 o  548.978   70.508  623.545  151.053  623.545  151.053   0.0000   0.0000  548.978   70.508  ?   ?       ?      ? 
1 1 1   10   11   15 o  438.047   61.833  432.435   96.230  461.373  116.989  371.893  169.214  474.525   63.176  401.570  106.310 72.95483 123.6654 
1 1 1   10   11   16 o  348.349   57.679  272.743   74.563  293.821   89.792  225.924  133.825  379.043   60.704  317.655   98.094 61.38779 115.3574 
1 1 1   10   11   17 o  296.667   54.627  191.558   60.273  192.586   71.782  189.099  110.978  300.921   63.141  292.413   89.161 8.508331 109.2537 
1 1 1   10   11   18 o  325.066   64.969  240.915   86.250  223.943  123.258  257.199  120.733  313.692   93.590  336.440   90.139 -22.74808 129.9390 
1 1 1   10   11   19 o  314.555   58.102  229.518   72.265  257.084   92.563  186.490  115.645  342.611   71.541  286.499   91.571 56.11230 116.2035 
1 1 1   10   11   20 o  388.583   62.575  357.296   92.453  389.085  122.670  315.494  140.667  416.115   78.419  361.052   97.534 55.06296 125.1499 
1 1 1   10   11   21 o  354.327   60.259  295.012   84.422  402.789  124.061  202.064  115.210  419.454   78.682  289.200   91.289 130.2539 120.5176 
1 1 1   10   11   22 o  191.380   54.373   45.456   52.594  114.054  113.597   26.739   59.337  230.746   89.048  152.013   62.418 78.73236 108.7456 
1 1 1   10   11   23 o  124.662   33.703   23.776   12.931   24.402   13.254   11.383   58.978  108.532   30.192  140.793   60.267 -32.26159 67.40642 
1 1 1   10   11   24 f  332.991   50.653  265.361   41.240  266.539   43.540  255.090  128.589  363.159   30.722  302.824   96.535 60.33542 101.3062 
1 1 1   10   11   25 o  344.484   51.103  360.522   47.573  385.737   50.705  175.110  137.498  436.842   29.744  252.127   97.782 184.7146 102.2058 
1 1 1   10   11   26 f  153.877   41.854   32.930   16.142   32.073   16.400   59.570   91.438  123.172   33.315  184.582   76.793 -61.41026 83.70844 
1 1 1   10   11   27 o  239.025   31.149  116.696   29.055  116.696   29.055   0.0000   0.0000  239.025   31.149  ?   ?       ?      ? 
1 1 1   10   11   28 o  372.207   29.574  283.664   42.956  283.664   42.956   0.0000   0.0000  372.207   29.574  ?   ?       ?      ? 
1 1 1   10   11   29 o  223.901   37.592  170.176   31.916  189.005   33.083 -82.7985  121.263  303.701   27.914  144.102   69.810 159.5997 75.18392 
1 1 1   10   11   30 o  111.492   37.683 -50.8946   45.589 -35.9412   57.849 -75.4033   74.060  110.129   51.905  112.855   54.644 -2.726837 75.36649 
1 1 1   10   11   31 o  127.947   60.623 -39.5497   80.874   0.0000   0.0000 -39.5497   80.874  ?   ?   127.947   60.623      ?      ? 
1 1 1   10   11   32 o  182.116   45.841   73.860   26.930   73.151   27.620   87.526  121.247  180.059   40.311  184.172   82.344 -4.113083 91.68190 
1 1 1   10   12    0 o  313.515   57.576  211.635   71.226  191.390   99.724  232.717  101.765  298.239   82.765  328.791   80.061 -30.55194 115.1515 
1 1 1   10   12    1 o  297.464   56.363  189.897   66.793  200.088   95.104  179.977   93.829  305.158   79.180  289.770   80.235 15.38791 112.7258 
1 1 1   10   12    2 o  499.195   72.988  552.650  137.492  535.395  193.259  570.334  195.649  490.586  104.166  507.804  102.267 -17.21762 145.9764 
1 1 1   10   12    3 o  570.232   79.121  730.191  169.767  707.085  238.358  753.980  241.853  560.166  112.938  580.298  110.841 -20.13177 158.2428 
1 1 1   10   12    4 o  122.148   32.479   21.828   20.884   18.473   27.712   26.239   31.771  115.442   44.125  128.854   47.673 -13.41215 64.95898 
1 1 1   10   12    5 o  714.569   77.768  1137.83  197.639  1168.43  244.511  1080.17  335.684  748.058   83.759  681.079  131.057 66.97949 155.5361 
1 1 1   10   12    6 o  550.641   63.615  638.719  125.261  622.049  152.931  672.698  218.341  550.783   71.151  550.498  105.476 0.2842407 127.2308 
1 1 1   10   12    7 o  148.641   50.573   41.191   35.090   41.191   35.090   0.0000   0.0000  148.641   50.573  ?   ?       ?      ? 
1 1 1   10   12    8 o   85.864   35.216   4.9641   18.861   4.9641   18.861   0.0000   0.0000   85.864   35.216  ?   ?       ?      ? 
1 1 1   10   12    9 o  137.320   48.893   32.829   32.997   32.829   32.997   0.0000   0.0000  137.320   48.893  ?   ?       ?      ? 
1 1 1   10   12   10 o  153.783   51.523   45.048   36.415   45.048   36.415   0.0000   0.0000  153.783   51.523  ?   ?       ?      ? 
1 1 1   10   12   11 o  167.003   51.985   56.011   37.500   56.011   37.500   0.0000   0.0000  167.003   51.985  ?   ?       ?      ? 
1 1 1   10   12   12 o  430.017   50.523  395.793   80.759  451.151  108.988  328.389  120.263  471.107   59.283  388.928   81.829 82.17850 101.0467 
1 1 1   10   12   13 o  262.619   55.039  109.757   55.635   66.803   63.755  246.893  113.917  190.766   67.959  334.473   86.596 -143.7074 110.0786 
1 1 1   10   12   14 o  961.687  107.872  2326.12  363.955  2333.96  445.928  2310.47  629.890  1015.37  112.541  908.007  184.065 107.3589 215.7440 
1 1 1   10   12   15 o  435.579   62.163  408.352   94.917  399.963  112.655  428.877  176.222  440.457   65.541  430.702  105.646 9.754700 124.3256 
1 1 1   10   12   16 o  232.928   52.745  111.813   49.678  114.007   56.976  104.855  101.449  231.470   61.882  234.385   85.433 -2.914566 105.4908 
1 1 1   10   12   17 o  1053.93  143.811  3559.00  540.048  3689.45  670.297  3317.67  911.714  1197.44  143.444  910.423  249.301 287.0149 287.6230 
1 1 1   10   12   18 o  227.238   52.311  112.953   55.072  140.767   67.205   56.091   96.089  254.109   66.866  200.366   80.466 53.74297 104.6220 
1 1 1   10   12   19 o  218.769   54.677   97.949   57.636   94.170   75.261  103.309   89.629  213.280   74.009  224.259   80.504 -10.97925 109.3538 
1 1 1   10   12   20 o  286.122   56.857  195.369   70.578  262.545   94.909  112.261  105.565  340.330   73.604  231.914   86.680 108.4159 113.7146 
1 1 1   10   12   21 o  151.351   45.974   13.581   46.291   3.7214   82.913   18.047   55.797  159.346   69.807  143.356   59.844 15.99020 91.94714 
1 1 1   10   12   22 o  164.550   49.969   5.0906   47.037   84.086  105.374 -14.5664   52.565  209.182   84.173  119.918   53.874 89.26392 99.93723 
1 1 1   10   12   23 o  272.960   67.329  188.627   84.112  260.988  146.390  152.966  102.769  300.249  103.273  245.672   86.413 54.57652 134.6573 
1 1 1   10   12   24 o  182.818   54.689  -6.6723   55.530  170.670  128.325 -47.5312   61.595  251.031   95.190  114.605   53.874 136.4251 109.3781 
1 1 1   10   12   25 o   73.013   26.164   9.2233   9.4633   9.2233   9.4633   0.0000   0.0000   73.013   26.164  ?   ?       ?      ? 
1 1 1   10   12   26 o  152.161   35.420   49.535   20.638   49.535   20.638   0.0000   0.0000  152.161   35.420  ?   ?       ?      ? 
1 1 1   10   12   27 o  179.609   33.814   68.580   22.831   68.580   22.831   0.0000   0.0000  179.609   33.814  ?   ?       ?      ? 
1 1 1   10   12   28 o  220.693   42.886  140.505   31.716  148.475   32.805   26.458  124.101  267.801   31.391  173.585   79.821 94.21608 85.77168 
1 1 1   10   12   29 o  140.964   35.068   47.392   19.993   54.145   20.332 -150.0020  109.928  157.939   33.995  123.989   61.347 33.95023 70.13637 
1 1 1   10   12   30 o  281.399   44.809  285.735   48.950  317.296   51.798   22.181  149.684  387.697   34.237  175.102   82.821 212.5946 89.61880 
1 1 1   10   12   31 o  206.117   46.847  106.722   31.618  107.643   32.448   89.406  140.740  223.857   37.143  188.378   86.017 35.47966 93.69392 
1 1 1   10   12   32 o  211.996   46.549  120.109   30.029  121.353   30.541   83.893  164.776  239.433   32.686  184.559   87.172 54.87373 93.09876 
1 1 1   10   13    0 o  397.573   63.884  344.054   97.090  296.685  134.426  395.713  140.381  367.280   93.536  427.866   87.038 -60.58566 127.7677 
1 1 1   10   13    1 o  438.574   68.039  422.983  113.274  397.291  158.599  449.734  161.838  423.919   97.854  453.229   94.561 -29.30966 136.0779 
1 1 1   10   13    2 o  101.816   28.498   11.373   16.800   10.300   23.555   12.484   23.968  100.256   39.986  103.377   40.617 -3.120880 56.99614 
1 1 1   10   13    3 o  271.725   54.033  157.060   59.775  168.549   84.987  145.813   84.089  280.925   75.780  262.526   77.044 18.39941 108.0661 
1 1 1   10   13    4 o  538.870   62.967  613.197  122.007  599.035  149.838  641.061  210.175  540.261   71.070  537.478  103.965 2.783508 125.9348 
1 1 1   10   13    5 o   89.703   26.148   5.4426   13.581   5.3533   16.022   5.6705   25.597   80.678   32.696   98.729   40.816 -18.05083 52.29650 
1 1 1   10   13    6 o  318.395   52.214  214.908   61.347  211.751   75.863  220.872  104.281  317.666   63.418  319.125   82.966 -1.458435 104.4276 
1 1 1   10   13    7 o  597.545   73.887  738.037  172.294  738.037  172.294   0.0000   0.0000  597.545   73.887  ?   ?       ?      ? 
1 1 1   10   13    8 o  637.729   64.680  816.430  150.059  732.412  178.694  1017.40  276.368  593.251   77.186  682.207  103.810 -88.95605 129.3608 
1 1 1   10   13    9 o  493.151   60.646  506.860  106.100  481.694  127.775  562.746  190.410  484.308   67.607  501.994  100.701 -17.68597 121.2910 
1 1 1   10   13   10 o  197.566   47.118   77.900   40.777   87.309   46.898   48.747   82.550  204.501   56.760  190.631   75.225 13.86961 94.23621 
1 1 1   10   13   11 o  328.582   45.755  109.959   41.744   71.759   43.968  459.098  132.925  186.868   55.931  470.296   72.428 -283.4280 91.50955 
1 1 1   10   13   12 o  305.698   52.382  198.733   58.066  195.356   69.317  206.677  106.319  304.782   60.414  306.614   85.590 -1.832062 104.7640 
1 1 1   10   13   13 o  502.125   60.532  504.527  100.725  464.284  115.372  633.519  206.555  476.147   62.091  528.104  103.928 -51.95694 121.0634 
1 1 1   10   13   14 o  246.734   55.055  106.855   46.375   95.752   50.346  169.026  119.135  213.182   58.669  280.285   93.179 -67.10286 110.1109 
1 1 1   10   13   15 o  433.500   65.181  425.006   99.193  435.444  117.417  398.990  185.374  458.407   65.637  408.593  112.632 49.81378 130.3621 
1 1 1   10   13   16 o  696.783   83.519  1051.99  227.099  1051.99  227.099   0.0000   0.0000  696.783   83.519  ?   ?       ?      ? 
1 1 1   10   13   17 o  463.552   78.002  512.051  139.596  392.800  183.832  674.475  214.543  397.003  113.156  530.102  107.391 -133.0985 156.0033 
1 1 1   10   13   18 o  473.815   68.488  480.802  126.635  480.802  126.635   0.0000   0.0000  473.815   68.488  ?   ?       ?      ? 
1 1 1   10   13   19 o  217.282   52.092  100.601   57.638  147.872   73.801   26.681   92.287  255.576   71.298  178.987   75.967 76.58968 104.1843 
1 1 1   10   13   20 o  199.023   58.074   58.894   73.231   47.218  107.295   69.077  100.198  195.435   82.371  202.611   81.885 -7.175583 116.1473 
1 1 1   10   13   21 o  244.446   96.899  139.357  137.550  139.357  137.550   0.0000   0.0000  244.446   96.899  ?   ?       ?      ? 
1 1 1   10   13   22 o  198.381   89.147   25.227  144.032   25.227  144.032   0.0000   0.0000  198.381   89.147  ?   ?       ?      ? 
1 1 1   10   13   23 o  204.608   88.324   67.844  128.701   67.844  128.701   0.0000   0.0000  204.608   88.324  ?   ?       ?      ? 
1 1 1   10   13   24 o  180.048   52.165   56.366   58.716   68.854   81.364   42.797   84.817  186.504   74.337  173.593   73.204 12.91095 104.3308 
1 1 1   10   13   25 o  137.505   43.319  -1.5065   46.868   12.223   60.058 -22.8904   74.953  139.218   60.215  135.793   62.291 3.425171 86.63774 
1 1 1   10   13   26 o  244.575   44.475  168.525   32.857  176.797   34.285   75.403  115.034  294.369   29.846  194.781   83.793 99.58778 88.94954 
1 1 1   10   13   27 o   86.229   30.325   13.894   12.656   13.894   12.656   0.0000   0.0000   86.229   30.325  ?   ?       ?      ? 
1 1 1   10   13   28 o  172.832   37.340   78.660   24.265   85.807   24.981 -40.5843  102.046  203.115   31.517  142.549   67.703 60.56543 74.67932 
1 1 1   10   13   29 f  155.259   39.182   55.216   21.327   58.969   21.694 -52.8151  116.391  164.441   34.887  146.077   70.169 18.36453 78.36353 
1 1 1   10   13   30 o  184.127   41.245   88.277   25.753   92.808   26.198 -41.7907  140.364  210.561   31.883  157.693   76.079 52.86775 82.48959 
1 1 1   10   13   31 o  177.645   85.686   29.772  177.830   0.0000   0.0000   29.772  177.830  ?   ?   177.645   85.686      ?      ? 
1 1 1   10   14    0 o  414.404   94.077  378.932  148.661   0.0000   0.0000  378.932  148.661  ?   ?   414.404   94.077      ?      ? 
1 1 1   10   14    1 o  ?   ?  -21.7384   4.6565   0.0000   0.0000 -21.7384   4.6565  ?   ?   ?   ?       ?      ? 
1 1 1   10   14    2 o  1078.04  233.265  3614.69  952.834   0.0000   0.0000  3614.69  952.834  ?   ?   1078.04  233.265      ?      ? 
1 1 1   10   14    3 o  661.400   86.558  993.278  218.203  1130.54  326.424  882.396  293.384  709.207  117.944  613.593  126.721 95.61383 173.1156 
1 1 1   10   14    4 o  459.870   71.497  465.483  124.107  544.502  189.826  406.490  164.018  493.788  101.891  425.952  100.327 67.83603 142.9936 
1 1 1   10   14    5 o  668.661   67.624  912.466  165.109  826.765  197.612  1110.64  300.495  628.409   80.582  708.912  108.621 -80.50360 135.2478 
1 1 1   10   14    6 f  530.119   63.995  601.376  121.320  590.517  148.375  623.279  210.732  534.878   71.085  525.359  106.435 9.518127 127.9902 
1 1 1   10   14    7 o  463.457   65.126  439.866  117.787  439.866  117.787   0.0000   0.0000  463.457   65.126  ?   ?       ?      ? 
1 1 1   10   14    8 o  695.597   72.300  1029.27  183.215  971.376  220.652  1157.79  328.773  677.994   83.397  713.201  118.128 -35.20758 144.6003 
1 1 1   10   14    9 o  477.526   66.301  468.805  123.552  468.805  123.552   0.0000   0.0000  477.526   66.301  ?   ?       ?      ? 
1 1 1   10   14   10 o  417.984   63.442  358.015  103.483  358.015  103.483   0.0000   0.0000  417.984   63.442  ?   ?       ?      ? 
1 1 1   10   14   11 o  207.401   54.974   59.142   39.473   54.263   41.448  106.691  129.400  166.575   54.941  248.226   95.237 -81.65125 109.9479 
1 1 1   10   14   12 o  377.727   66.002  310.910   81.452  309.987   89.979  315.100  191.695  389.672   59.171  365.783  118.000 23.88864 132.0042 
1 1 1   10   14   13 o  535.291   63.156  590.142  131.928  590.142  131.928   0.0000   0.0000  535.291   63.156  ?   ?       ?      ? 
1 1 1   10   14   14 o  349.517   93.336  278.904  129.704  278.904  129.704   0.0000   0.0000  349.517   93.336  ?   ?       ?      ? 
1 1 1   10   14   16 o  246.056   86.711  128.480  103.524  128.480  103.524   0.0000   0.0000  246.056   86.711  ?   ?       ?      ? 
1 1 1   10   14   17 o  416.806  110.794  443.165  183.307  443.165  183.307   0.0000   0.0000  416.806  110.794  ?   ?       ?      ? 
1 1 1   10   14   18 o  229.278   85.911  109.534  103.828  109.534  103.828   0.0000   0.0000  229.278   85.911  ?   ?       ?      ? 
1 1 1   10   14   19 o  185.226   52.995   48.764   55.093   37.267   65.673   76.080  101.225  163.974   66.285  206.478   82.705 -42.50481 105.9900 
1 1 1   10   14   20 o  355.218   78.976  371.349  125.271  297.710  181.410  438.470  173.196  315.979  114.386  394.458  108.925 -78.47894 157.9514 
1 1 1   10   14   21 o  191.875   55.430   55.729   68.927  110.175   96.101  -1.9511   98.914  218.710   82.510  165.040   74.041 53.66945 110.8602 
1 1 1   10   14   22 o  278.459   67.573  210.576   91.666  294.858  135.192  138.856  124.711  321.747   98.467  235.171   92.568 86.57605 135.1468 
1 1 1   10   14   23 o  335.263   82.407  399.276  141.239  292.459  227.130  466.623  180.349  285.943  120.146  384.583  112.820 -98.64020 164.8131 
1 1 1   10   14   24 o  238.191   61.869  130.426   79.514  250.745  124.510   47.564  103.327  293.218   95.152  183.164   79.103 110.0545 123.7381 
1 1 1   10   14   25 o  136.495   42.970  -7.3100   48.605   31.568   62.777 -65.4920   76.797  151.184   63.325  121.807   58.099 29.37680 85.93956 
1 1 1   10   14   26 o  125.403   41.207 -28.2340   48.800 -12.9778   65.469 -47.3082   73.204  128.380   58.639  122.427   57.910 5.953392 82.41442 
1 1 1   10   14   27 o  170.974   34.516   63.239   22.236   63.239   22.236   0.0000   0.0000  170.974   34.516  ?   ?       ?      ? 
1 1 1   10   14   28 o  168.680   36.828   74.182   22.628   80.309   23.187 -48.4595  103.731  196.783   30.194  140.578   67.183 56.20496 73.65600 
1 1 1   10   14   29 o  138.503   65.376 -29.5093   92.406   0.0000   0.0000 -29.5093   92.406  ?   ?   138.503   65.376      ?      ? 
1 1 1   10   14   30 f  162.591   77.508  -3.5861  136.264   0.0000   0.0000  -3.5861  136.264  ?   ?   162.591   77.508      ?      ? 
1 1 1   10   15    0 o  338.706   60.818  251.765   80.591  238.429  113.441  265.354  114.513  329.378   86.971  348.034   85.038 -18.65594 121.6368 
1 1 1   10   15    1 o  685.804   92.892  1119.80  239.548  1139.87  340.519  1100.14  337.051  692.577  130.785  679.030  131.950 13.54688 185.7840 
1 1 1   10   15    2 o  762.979  102.419  1430.70  293.669  1515.88  422.615  1351.17  408.372  787.683  142.743  738.274  146.912 49.40930 204.8385 
1 1 1   10   15    3 o  295.469   52.386  191.407   59.968  209.456   77.381  164.268   94.885  314.679   65.159  276.258   82.045 38.42157 104.7711 
1 1 1   10   15    4 o  659.044  128.184  1030.75  317.803   0.0000   0.0000  1030.75  317.803  ?   ?   659.044  128.184      ?      ? 
1 1 1   10   15    5 o  620.897   73.187  881.009  161.538  942.701  201.946  771.404  269.176  671.470   77.069  570.324  124.442 101.1459 146.3741 
1 1 1   10   15    6 o  365.930   57.744  289.381   76.829  285.564   94.049  297.038  133.206  367.298   68.123  364.562   93.256 2.735779 115.4877 
1 1 1   10   15    7 o  830.850   94.416  1495.94  306.127  1495.94  306.127   0.0000   0.0000  830.850   94.416  ?   ?       ?      ? 
1 1 1   10   15    8 o  665.239   68.785  912.988  165.848  826.794  197.287  1120.66  306.228  625.708   80.797  704.770  111.344 -79.06232 137.5703 
1 1 1   10   15    9 o  441.179   65.612  400.815  112.962  400.815  112.962   0.0000   0.0000  441.179   65.612  ?   ?       ?      ? 
1 1 1   10   15   10 o  481.150   66.765  515.556  111.985  521.024  133.518  502.586  205.644  501.496   68.225  460.804  114.786 40.69260 133.5305 
1 1 1   10   15   11 o  297.628   62.488  195.847   66.747  202.307   72.985  162.830  165.006  308.793   62.708  286.463  108.106 22.32938 124.9767 
1 1 1   10   15   12 o  813.922  102.688  1493.17  326.163   0.0000   0.0000  1493.17  326.163  ?   ?   813.922  102.688      ?      ? 
1 1 1   10   15   13 o  415.336   71.849  303.369  102.615  204.731  115.586  670.342  222.946  300.734   90.837  529.937  111.345 -229.2036 143.6975 
1 1 1   10   15   14 o  282.714   68.752  121.952   78.049   74.083   86.981  319.791  176.828  205.799   78.290  359.629  113.039 -153.8302 137.5037 
1 1 1   10   15   15 o  147.235   47.819   11.063   32.070   17.856   32.775 -141.8309  155.491  119.974   47.381  174.496   83.076 -54.52219 95.63776 
1 1 1   10   15   16 o  482.815   74.395  564.296  124.817  549.498  145.783  604.933  241.579  500.025   74.711  465.606  128.673 34.41904 148.7901 
1 1 1   10   15   17 o  177.498   53.119   32.322   48.635   30.071   52.799   44.929  124.948  149.637   59.804  205.359   87.807 -55.72212 106.2386 
1 1 1   10   15   18 o  398.088   85.270  466.163  143.689  451.456  197.238  482.797  209.752  393.762  118.598  402.415  122.549 -8.652863 170.5394 
1 1 1   10   15   19 o  168.059   51.752   23.415   56.334   31.415   63.771  -5.0086  120.202  157.117   64.634  179.001   80.844 -21.88361 103.5047 
1 1 1   10   15   20 o  252.059   64.076  161.433   77.907  153.621   96.190  176.331  132.830  246.908   83.734  257.211   97.012 -10.30252 128.1515 
1 1 1   10   15   21 o  252.212   68.383  165.576  105.966   23.330  166.324  262.764  137.481  203.660   93.191  300.765  100.102 -97.10445 136.7658 
1 1 1   10   15   22 o  305.721   74.047  287.129  106.171  288.693  138.386  284.891  165.531  313.134  100.180  298.307  109.069 14.82687 148.0946 
1 1 1   10   15   23 o  171.428   54.777 -10.0276   80.353   68.073  116.800 -80.2037  110.716  196.935   84.568  145.920   69.645 51.01477 109.5546 
1 1 1   10   15   24 o  206.032   58.438   47.404   79.324  226.247  126.148 -69.5593  102.017  271.322   95.707  140.741   67.084 130.5807 116.8763 
1 1 1   10   15   25 o  258.576   69.938  228.898   99.656  275.803  142.995  184.603  138.960  280.094  101.530  237.057   96.213 43.03703 139.8764 
1 1 1   10   15   26 o  271.375   68.936  185.104  102.338  541.175  179.839   14.583  124.453  373.932  113.386  168.817   78.438 205.1149 137.8724 
1 1 1   10   15   27 o  151.746   51.968 -60.3467   79.676   40.932  153.057 -97.9942   93.317  180.990   85.030  122.502   59.772 58.48792 103.9359 
1 1 1   10   15   28 o  142.810   35.116   49.087   18.774   54.577   19.014 -164.1932  118.512  159.376   31.688  126.244   62.677 33.13251 70.23200 
1 1 1   10   15   29 o  155.314   51.643 -12.6129   67.296 -47.8818   77.767   92.540  134.281  122.462   58.427  188.165   85.172 -65.70248 103.2858 
1 1 1   10   15   30 o  320.697   96.564   95.521   25.065   89.480   25.086  3761.41  617.953  206.276   31.163  435.118  190.596 -228.8418 193.1273 
1 1 1   10   16    0 o  535.175   73.721  636.496  150.557  768.407  223.066  526.125  204.042  594.372   96.171  475.977  111.760 118.3947 147.4418 
1 1 1   10   16    1 o  166.084   41.640   49.544   34.107   59.859   47.020   38.091   49.546  175.353   58.549  156.815   59.224 18.53807 83.27952 
1 1 1   10   16    2 o  603.159  120.197  854.138  272.982   0.0000   0.0000  854.138  272.982  ?   ?   603.159  120.197      ?      ? 
1 1 1   10   16    3 o  500.570   64.621  572.110  117.195  652.559  150.308  447.367  187.166  562.006   68.534  439.133  109.574 122.8735 129.2416 
1 1 1   10   16    4 o  582.978  118.633  797.330  260.711   0.0000   0.0000  797.330  260.711  ?   ?   582.978  118.633      ?      ? 
1 1 1   10   16    5 o  709.610   98.109  1240.79  261.934  1230.05  368.217  1251.80  372.684  706.726  138.465  712.495  139.029 -5.768799 196.2180 
1 1 1   10   16    6 f  179.225   45.571   47.764   36.629   34.018   42.428   88.001   72.587  146.756   54.933  211.693   72.726 -64.93727 91.14124 
1 1 1   10   16    7 o  329.437   85.319  240.401  110.558  240.401  110.558   0.0000   0.0000  329.437   85.319  ?   ?       ?      ? 
1 1 1   10   16    8 o  450.310   63.752  447.544  102.258  450.667  123.582  440.763  182.103  466.166   67.933  434.454  107.899 31.71246 127.5032 
1 1 1   10   16    9 o  538.576   72.145  607.739  151.630  607.739  151.630   0.0000   0.0000  538.576   72.145  ?   ?       ?      ? 
1 1 1   10   16   10 o  519.945   70.471  566.638  142.988  566.638  142.988   0.0000   0.0000  519.945   70.471  ?   ?       ?      ? 
1 1 1   10   16   11 o  272.536   65.145  145.868   61.173  144.648   64.695  156.164  187.951  258.976   64.309  286.096  113.313 -27.11954 130.2901 
1 1 1   10   16   12 o  381.243   60.165  258.595   87.829  137.299  103.621  568.062  165.513  252.958   86.894  509.527   83.240 -256.5691 120.3310 
1 1 1   10   16   13 o  403.162   81.958  342.797  118.745  268.826  134.582  602.788  252.309  335.414   97.192  470.909  131.992 -135.4950 163.9153 
1 1 1   10   16   14 o  416.679   84.820  421.032  135.030  350.491  159.786  597.255  252.551  373.687  105.144  459.672  133.125 -85.98499 169.6397 
1 1 1   10   16   15 o  328.577   69.368  247.311   78.447  237.854   85.218  299.829  200.814  325.932   69.142  331.222  120.280 -5.289459 138.7363 
1 1 1   10   16   16 o  169.274   53.781   17.488   40.216   17.654   41.584   15.094  158.080  128.814   52.498  209.734   93.880 -80.92035 107.5619 
1 1 1   10   16   17 o  197.072   57.223   65.332   57.244   71.245   61.703   28.802  153.372  185.717   66.782  208.426   92.942 -22.70891 114.4466 
1 1 1   10   16   18 o  293.909   75.351  240.366  119.937  357.845  168.315  119.181  170.949  348.167  110.387  239.651  102.594 108.5159 150.7014 
1 1 1   10   16   19 o  256.370   63.402  180.246   82.921  216.342   97.030   82.488  159.681  291.804   81.875  220.936   96.829 70.86870 126.8046 
1 1 1   10   16   20 o  187.221   57.187   42.068   78.774   83.615   96.854 -39.1225  135.395  201.045   80.769  173.397   80.981 27.64781 114.3742 
1 1 1   10   16   21 o  335.028   76.488  343.675  128.680  560.344  189.038  156.589  175.659  426.608  112.091  243.447  104.103 183.1604 152.9765 
1 1 1   10   16   22 o  394.357  139.834  680.742  269.629   0.0000   0.0000  680.742  269.629  ?   ?   394.357  139.834      ?      ? 
1 1 1   10   16   23 o  301.766   77.232  277.212  137.494  598.025  209.625   34.986  182.149  402.022  122.530  201.509   94.048 200.5136 154.4630 
1 1 1   10   16   24 o  174.010   57.738  -4.1448   97.421   24.600  151.946 -24.2095  126.948  184.735   86.112  163.285   76.937 21.44995 115.4755 
1 1 1   10   16   25 o  145.658   47.716 -28.1663   68.078   40.627   90.837 -116.3186  102.828  164.946   72.642  126.370   61.889 38.57629 95.43149 
1 1 1   10   16   26 o  219.894   77.430  141.987   82.534  141.987   82.534   0.0000   0.0000  219.894   77.430  ?   ?       ?      ? 
1 1 1   10   16   27 f  197.115   54.412  111.704   68.016  156.622   81.576   9.2643  123.193  230.293   77.117  163.938   76.783 66.35429 108.8241 
1 1 1   10   16   28 o  211.159   59.999  149.646   80.364  181.561   97.839   83.457  140.900  235.696   84.163  186.621   85.533 49.07491 119.9973 
1 1 1   10   16   29 o  174.444   48.673   50.104   20.584   48.062   20.794  149.619  145.181  146.761   36.467  202.127   90.258 -55.36591 97.34686 
1 1 1   10   17    0 o  239.315   52.303  120.196   54.313   97.865   76.230  143.221   77.404  220.630   74.544  257.999   73.387 -37.36919 104.6062 
1 1 1   10   17    1 o  440.948   58.735  441.674   96.135  582.654  131.192  278.182  141.278  532.503   63.132  349.393   99.064 183.1091 117.4705 
1 1 1   10   17    2 f  223.378   51.293  102.618   51.142   98.098   70.672  107.587   74.102  218.998   71.717  227.758   73.354 -8.759720 102.5870 
1 1 1   10   17    3 o  167.188   42.347   45.919   38.907   80.266   48.412 -16.7234   65.381  196.617   58.653  137.758   61.098 58.85912 84.69461 
1 1 1   10   17    4 o  228.123   57.511   75.243   57.879  170.523  118.203   45.193   66.381  280.767   92.789  175.479   67.973 105.2887 115.0221 
1 1 1   10   17    5 o  462.989   61.995  461.944  103.195  446.541  125.769  493.680  180.529  462.884   69.626  463.095  102.596 -0.2109070 123.9909 
1 1 1   10   17    6 o  188.583   47.008   43.222   33.976   28.321   37.031  122.512   85.423  135.797   51.222  241.370   78.837 -105.5727 94.01585 
1 1 1   10   17    7 o  298.118   67.882  191.840   77.203  191.840   77.203   0.0000   0.0000  298.118   67.882  ?   ?       ?      ? 
1 1 1   10   17    8 o  368.552   64.237  306.828   84.454  306.010   98.543  309.092  163.901  377.142   69.517  359.961  108.043 17.18130 128.4749 
1 1 1   10   17    9 o  368.915   65.315  294.826   82.297  279.116   93.365  349.548  174.257  359.243   69.107  378.586  110.852 -19.34317 130.6291 
1 1 1   10   17   10 f  196.039   56.538   53.296   42.199   55.334   43.710   25.320  161.924  167.540   56.447  224.537   97.980 -56.99718 113.0768 
1 1 1   10   17   11 o  514.548   80.570  613.416  131.309  582.091  146.117  744.889  299.351  520.206   71.977  508.890  144.171 11.31619 161.1395 
1 1 1   10   17   12 o  168.243   53.616   14.052   28.866   12.868   29.365   47.988  157.224  110.487   44.443  225.999   97.589 -115.5117 107.2328 
1 1 1   10   17   13 o  256.756   70.327  126.268   74.180  122.692   78.552  155.736  225.501  234.219   75.534  279.292  118.652 -45.07256 140.6547 
1 1 1   10   17   14 o  219.805   65.924   43.566   51.409   33.038   53.059  204.906  207.714  151.856   60.187  287.755  117.309 -135.8983 131.8481 
1 1 1   10   17   15 o  322.569   76.499  212.949   90.815  162.088   99.525  465.967  221.982  258.616   85.127  386.523  127.129 -127.9077 152.9977 
1 1 1   10   17   16 o  294.131   71.111  215.354   82.124  207.381   88.850  262.112  215.164  293.203   76.754  295.058  119.733 -1.855255 142.2224 
1 1 1   10   17   17 o  248.288   68.480  119.628   69.967  100.453   74.798  253.833  197.883  209.312   73.711  287.264  115.434 -77.95203 136.9609 
1 1 1   10   17   18 o  325.876   72.506  328.670  105.434  352.656  121.369  254.895  212.855  370.815   85.606  280.937  117.048 89.87817 145.0125 
1 1 1   10   17   19 o  247.493   73.210  154.564  118.368   93.817  156.799  235.049  180.484  220.887   96.401  274.100  110.208 -53.21388 146.4202 
1 1 1   10   17   20 o  211.737   62.619   93.506   79.573   92.861   91.698   95.471  160.120  203.346   79.578  220.127   96.706 -16.78131 125.2387 
1 1 1   10   17   21 o  155.298   52.546 -79.7121   70.466 -116.2596   80.146   44.760  147.907  112.573   55.028  198.023   89.534 -85.44995 105.0923 
1 1 1   10   17   22 o  165.790   54.760 -19.0639   86.136   6.3370  106.039 -68.3352  147.686  165.251   75.149  166.330   79.670 -1.079407 109.5200 
1 1 1   10   17   23 o  332.243   81.989  482.155  145.780  590.145  191.668  333.944  224.542  398.410  116.144  266.075  115.757 132.3352 163.9788 
1 1 1   10   17   24 o  139.098   46.984 -46.8967   68.294 -36.2009   83.319 -68.7956  119.220  132.334   62.347  145.863   70.306 -13.52826 93.96849 
1 1 1   10   17   25 o  165.356   52.043   23.413   75.710   99.488   93.212 -124.0844  129.790  191.373   78.365  139.339   68.503 52.03333 104.0851 
1 1 1   10   17   26 o  201.300   85.209  122.680  115.614  122.680  115.614   0.0000   0.0000  201.300   85.209  ?   ?       ?      ? 
1 1 1   10   17   27 o  194.395   59.366  110.874   80.998  117.799   97.173   95.110  146.612  198.169   80.447  190.622   87.324 7.547546 118.7316 
1 1 1   10   17   28 o  147.828   49.501 -13.5765   75.530  -7.9525   99.340 -21.2819  116.280  145.875   68.523  149.782   71.456 -3.907059 99.00177 
1 1 1   10   18    0 o  289.797   76.011  184.689   87.028  184.689   87.028   0.0000   0.0000  289.797   76.011  ?   ?       ?      ? 
1 1 1   10   18    1 o  364.813   77.246  291.938  106.546  291.938  106.546   0.0000   0.0000  364.813   77.246  ?   ?       ?      ? 
1 1 1   10   18    2 o  124.609   51.151   12.426   39.834   12.426   39.834   0.0000   0.0000  124.609   51.151  ?   ?       ?      ? 
1 1 1   10   18    3 o  278.971   57.067  175.517   65.577  193.642   82.718  144.853  107.591  297.622   72.003  260.320   88.557 37.30191 114.1343 
1 1 1   10   18    4 o  752.042  170.070  1640.42  487.421  1640.42  487.421   0.0000   0.0000  752.042  170.070  ?   ?       ?      ? 
1 1 1   10   18    5 o  807.441   95.877  1467.95  302.104  1467.95  302.104   0.0000   0.0000  807.441   95.877  ?   ?       ?      ? 
1 1 1   10   18    6 o  653.104   81.242  928.466  207.060  928.466  207.060   0.0000   0.0000  653.104   81.242  ?   ?       ?      ? 
1 1 1   10   18    7 o  151.795   57.602   36.559   47.011   36.559   47.011   0.0000   0.0000  151.795   57.602  ?   ?       ?      ? 
1 1 1   10   18    8 o  233.697   59.520   87.061   49.813   75.914   53.104  168.736  143.743  191.318   62.144  276.075  101.532 -84.75731 119.0403 
1 1 1   10   18    9 f  583.194   78.939  750.745  179.654  750.745  179.654   0.0000   0.0000  583.194   78.939  ?   ?       ?      ? 
1 1 1   10   18   10 o  246.843   66.530   78.164   48.389   67.473   49.881  248.872  199.319  181.051   60.298  312.635  118.615 -131.5847 133.0610 
1 1 1   10   18   11 o  350.145   77.358  248.077   80.386  226.497   84.417  457.969  263.271  317.072   70.089  383.217  137.930 -66.14532 154.7164 
1 1 1   10   18   12 o  331.294   68.464  213.225   71.644  181.280   77.233  410.274  191.818  281.394   70.483  381.194  117.395 -99.80011 136.9283 
1 1 1   10   18   13 o  229.058   66.527   82.683   54.104   78.926   55.643  147.809  231.683  191.171   63.686  266.946  116.823 -75.77538 133.0548 
1 1 1   10   18   14 o  328.503   73.368  307.228   97.153  316.213  104.860  252.766  258.174  365.326   76.027  291.681  125.505 73.64539 146.7361 
1 1 1   10   18   15 o  300.279   76.552  203.307   84.103  177.225   89.407  403.762  247.859  267.256   79.703  333.302  130.722 -66.04568 153.1040 
1 1 1   10   18   16 o  244.512   68.195  139.437   76.021  138.871   80.467  144.142  231.911  237.858   76.422  251.167  112.970 -13.30920 136.3909 
1 1 1   10   18   17 o  136.438   48.375 -28.5894   39.368 -21.0463   40.127 -222.3675  203.382   99.568   45.639  173.307   85.308 -73.73883 96.74922 
1 1 1   10   18   18 o  196.600   58.880   70.275   74.700  100.971   80.544 -118.5163  199.746  207.380   76.042  185.821   89.918 21.55916 117.7608 
1 1 1   10   18   19 o  203.927   62.380   76.711   82.598   86.106   92.684   40.458  182.071  198.937   79.325  208.917   96.295 -9.980240 124.7610 
1 1 1   10   18   20 o  167.264   54.259  -0.6048   77.904   41.625   87.056 -170.3574  174.542  171.464   73.303  163.063   80.018 8.401169 108.5186 
1 1 1   10   18   21 o  346.642   85.265  495.115  144.458  493.238  174.965  499.135  256.038  379.250  111.086  314.034  129.385 65.21570 170.5300 
1 1 1   10   18   22 o  223.760   64.945  156.241  102.067  226.789  124.237   9.7517  179.022  260.726   94.617  186.795   88.989 73.93089 129.8904 
1 1 1   10   18   23 o  178.012   56.357   40.971   74.850  -0.4032   90.504  130.525  133.152  148.431   68.222  207.592   89.724 -59.16121 112.7148 
1 1 1   10   18   24 o  212.712   64.004  137.989   88.670   97.793  109.116  216.139  152.146  191.287   81.930  234.137   98.353 -42.84976 128.0074 
1 1 1   10   18   25 f  171.593   54.017   25.479   84.209  128.063  104.606 -163.4024  141.942  204.553   83.304  138.633   68.788 65.91982 108.0337 
1 1 1   10   18   26 o  145.218   49.218 -55.9689   83.229   13.281  105.149 -172.1407  136.190  156.826   72.598  133.610   66.476 23.21590 98.43523 
1 1 1   10   18   27 o  196.267   59.826   58.868   98.412  282.330  140.315 -157.4842  138.065  257.737   99.104  134.796   67.044 122.9413 119.6519 
1 1 1   10   19    0 o  106.052   33.186 -24.5451   29.655   13.982   40.320 -69.9432   43.768  125.854   51.539   86.251   41.822 39.60235 66.37224 
1 1 1   10   19    1 o  774.061  100.753  1397.78  304.344  1397.78  304.344   0.0000   0.0000  774.061  100.753  ?   ?       ?      ? 
1 1 1   10   19    2 o  139.721   42.359   5.1915   40.960   30.912   46.801 -78.9864   84.667  146.542   56.988  132.900   62.685 13.64189 84.71745 
1 1 1   10   19    3 o  430.596   68.008  449.709  110.957  493.276  140.351  377.095  181.193  476.452   75.486  384.740  113.146 91.71219 136.0153 
1 1 1   10   19    4 o  429.204   87.070  488.283  152.552  522.623  231.034  461.736  203.132  438.402  127.432  420.006  118.682 18.39621 174.1392 
1 1 1   10   19    5 o  213.139   57.493   81.138   55.349   81.616   60.762   78.809  134.145  198.241   66.555  228.037   93.767 -29.79581 114.9862 
1 1 1   10   19    6 o  328.964   64.831  239.548   76.955  219.609   87.991  304.417  158.710  311.914   73.495  346.014  106.821 -34.09973 129.6621 
1 1 1   10   19    7 o  445.937   73.638  437.437  128.147  437.437  128.147   0.0000   0.0000  445.937   73.638  ?   ?       ?      ? 
1 1 1   10   19    8 o  341.196   69.358  251.212   79.715  225.715   87.607  373.890  192.170  314.848   72.763  367.543  118.102 -52.69485 138.7170 
1 1 1   10   19    9 o  380.074   75.636  370.018  102.549  361.904  113.854  404.900  236.054  396.819   76.294  363.328  130.624 33.49142 151.2722 
1 1 1   10   19   10 f  361.083   88.002  369.847  138.947  333.056  161.695  473.705  271.673  349.323  107.817  372.842  139.113 -23.51910 176.0031 
1 1 1   10   19   11 o  153.588   59.017 -26.8822   17.415 -27.4034   17.458   80.641  250.738   55.106   26.645  252.070  114.988 -196.9640 118.0347 
1 1 1   10   19   12 o  262.654   68.244  141.028   67.456  125.594   71.835  256.186  196.218  231.314   71.941  293.994  115.988 -62.67960 136.4872 
1 1 1   10   19   13 o  210.558   67.628   33.007   44.771   26.232   45.471  247.861  256.057  137.905   55.363  283.212  123.407 -145.3072 135.2569 
1 1 1   10   19   14 o  340.196   91.168  338.909  141.078  250.071  158.505  677.592  309.486  289.369  106.588  391.023  147.936 -101.6538 182.3352 
1 1 1   10   19   15 o  210.095   67.762   41.011   63.323   30.257   65.336  207.467  257.050  155.432   64.811  264.758  119.023 -109.3256 135.5244 
1 1 1   10   19   16 o  318.673   88.798  360.500  152.456  306.475  180.860  493.130  283.377  303.805  113.476  333.541  136.616 -29.73575 177.5969 
1 1 1   10   19   17 o  203.065   64.288   58.275   73.211   55.449   77.227   83.351  230.029  176.223   71.650  229.908  106.761 -53.68492 128.5756 
1 1 1   10   19   18 o  184.495   59.889   29.705   75.656   37.987   80.895 -28.0945  213.707  167.220   71.054  201.770   96.428 -34.54999 119.7787 
1 1 1   10   19   19 o  264.027   73.598  234.197  110.099  240.679  125.457  212.477  229.647  280.035   95.625  248.020  111.904 32.01550 147.1963 
1 1 1   10   19   20 o  221.060   67.142  141.408  100.301  150.704  114.351  110.397  208.852  226.151   88.761  215.969  100.767 10.18170 134.2849 
1 1 1   10   19   21 o  203.871   62.412  113.819   91.394  135.200  105.991   51.835  180.465  213.997   84.987  193.744   91.424 20.25275 124.8242 
1 1 1   10   19   22 o  269.815   81.726  401.075  166.784  235.169  252.271  529.901  222.298  225.690  106.974  313.940  123.584 -88.25066 163.4519 
1 1 1   10   19   23 o  152.453   50.724  -6.6092   71.067  -2.8668   83.258 -16.6565  136.417  142.134   65.367  162.771   77.582 -20.63730 101.4483 
1 1 1   10   19   24 o  175.481   60.230  -4.4372  114.908   39.161  226.829 -19.4884  133.275  190.686   93.073  160.276   76.473 30.41019 120.4603 
1 1 1   10   19   25 o  161.040   78.542 -54.4419  160.641 -54.4419  160.641   0.0000   0.0000  161.040   78.542  ?   ?       ?      ? 
1 1 1   10   19   26 o  304.800   87.607  493.616  173.115  1188.01  299.451  145.052  212.161  411.583  147.212  198.016   95.017 213.5669 175.2132 
1 1 1   10   20    0 o  171.751   48.627   41.143   50.122   58.971   67.677   19.484   74.592  181.701   69.074  161.801   68.464 19.89926 97.25443 
1 1 1   10   20    1 o  158.025   46.335   11.576   52.075   63.184   64.187 -87.8084   89.074  182.932   67.744  133.119   63.233 49.81277 92.66961 
1 1 1   10   20    2 o  181.607   51.191   51.816   52.912   61.329   63.956   31.184   94.192  181.264   67.524  181.950   76.959 -0.6858673 102.3823 
1 1 1   10   20    3 o  384.589   65.553  395.938  105.412  507.971  133.274  208.748  172.272  480.105   71.134  289.072  110.129 191.0332 131.1051 
1 1 1   10   20    4 f  174.987   56.984 -58.0796   90.210   7.0125  134.277 -111.6246  121.786  196.014   87.218  153.960   73.361 42.05348 113.9682 
1 1 1   10   20    5 o  759.272  103.187  1451.35  305.741  1451.35  305.741   0.0000   0.0000  759.272  103.187  ?   ?       ?      ? 
1 1 1   10   20    6 o  149.033   47.850   8.9746   38.491   16.113   40.129 -73.1581  136.113  125.806   51.456  172.261   80.690 -46.45489 95.70050 
1 1 1   10   20    7 o  409.404   77.001  415.874  106.332  383.825  118.172  552.196  243.717  404.728   77.645  414.081  132.996 -9.352234 154.0019 
1 1 1   10   20    8 o  238.233   66.439  102.914   64.210   92.829   67.949  187.058  196.270  204.833   70.365  271.633  112.718 -66.80008 132.8778 
1 1 1   10   20    9 o  150.688   50.714   3.2818   39.958   12.405   40.719 -233.7770  207.566  122.758   51.174  178.617   87.572 -55.85939 101.4279 
1 1 1   10   20   10 o  264.847   72.108  150.854   71.609  142.793   74.447  250.590  261.875  244.364   72.696  285.331  124.553 -40.96631 144.2156 
1 1 1   10   20   11 o  161.469   61.666 -35.0930   21.510 -36.4053   21.579  171.742  270.904   59.710   29.047  263.228  119.863 -203.5179 123.3319 
1 1 1   10   20   12 o  206.085   63.713   71.092   59.275   76.261   60.584 -44.6785  286.702  186.499   66.268  225.671  108.839 -39.17203 127.4253 
1 1 1   10   20   13 o  293.013   84.243  215.148  122.043  143.523  135.175  530.985  283.853  237.655   95.439  348.371  138.850 -110.7151 168.4867 
1 1 1   10   20   14 o  285.833   80.958  265.837  132.555  249.986  159.965  300.572  236.806  283.904  106.586  287.763  121.886 -3.859619 161.9163 
1 1 1   10   20   15 f  251.330   69.805  165.110   87.895  154.520   97.774  209.717  200.663  242.537   84.344  260.124  111.251 -17.58664 139.6091 
1 1 1   10   20   16 o  266.495   79.386  242.495  142.080  263.176  176.362  204.254  239.823  279.038  110.003  253.952  114.489 25.08630 158.7717 
1 1 1   10   20   17 o  226.273   72.356   67.393   88.552   29.463   94.051  363.569  262.814  168.957   74.174  283.590  124.258 -114.6330 144.7126 
1 1 1   10   20   18 o  149.749   52.932 -79.9276   71.953 -72.9172   75.919 -141.8153  225.569  118.131   56.725  181.366   89.385 -63.23596 105.8650 
1 1 1   10   20   19 o  174.721   59.988 -68.4410  126.282 -128.3118  168.352   8.5862  190.956  159.851   78.471  189.591   90.754 -29.73943 119.9751 
1 1 1   10   20   20 o  218.237  103.718  172.194  240.257  172.194  240.257   0.0000   0.0000  218.237  103.718  ?   ?       ?      ? 
1 1 1   10   20   21 o  219.407  103.922  203.374  237.251  203.374  237.251   0.0000   0.0000  219.407  103.922  ?   ?       ?      ? 
1 1 1   10   20   22 f  156.849   72.007   14.606  100.427   14.606  100.427   0.0000   0.0000  156.849   72.007  ?   ?       ?      ? 
1 1 1   10   20   23 o  295.980  103.707  350.556  147.952  350.556  147.952   0.0000   0.0000  295.980  103.707  ?   ?       ?      ? 
1 1 1   10   20   24 o  158.796   71.282   36.069   91.826   36.069   91.826   0.0000   0.0000  158.796   71.282  ?   ?       ?      ? 
1 1 1   10   20   25 o  192.105   82.485  117.890  111.093  117.890  111.093   0.0000   0.0000  192.105   82.485  ?   ?       ?      ? 
1 1 1   10   21    0 o  367.693   88.652  370.959  140.799  625.317  266.684  272.656  165.789  425.478  139.313  309.908  109.675 115.5704 177.3046 
1 1 1   10   21    1 o  262.388   97.390  173.832  132.807   0.0000   0.0000  173.832  132.807  ?   ?   262.388   97.390      ?      ? 
1 1 1   10   21    2 o  273.974   76.661  195.214  117.432  202.729  208.101  191.704  142.243  276.807  115.564  271.140  100.760 5.667786 153.3226 
1 1 1   10   21    3 o  233.873   69.698   79.068  109.721  207.280  173.101  -7.0401  141.859  276.844  109.031  190.902   86.855 85.94147 139.3968 
1 1 1   10   21    4 o  226.895   69.190   83.734  112.024  122.297  160.756   47.329  156.194  240.530  101.072  213.259   94.517 27.27126 138.3799 
1 1 1   10   21    5 o  400.252   94.921  560.083  174.870  553.395  251.356  566.356  243.439  394.807  135.351  405.696  133.117 -10.88885 189.8421 
1 1 1   10   21    6 o  235.677   70.748  110.659  112.158   73.697  147.468  161.376  172.744  217.042   94.116  254.313  105.657 -37.27092 141.4958 
1 1 1   10   21    7 o  166.916   56.425 -75.9168   92.330 -60.6186  107.180 -119.9327  181.803  151.868   71.286  181.963   87.483 -30.09508 112.8491 
1 1 1   10   21    8 o  323.731   88.500  344.512  152.537  260.583  188.348  504.481  260.031  288.648  113.715  358.813  135.637 -70.16501 176.9990 
1 1 1   10   21    9 o  276.994   80.181  114.838  112.043   20.066  123.766  545.216  263.746  185.874   83.144  368.114  137.124 -182.2395 160.3618 
1 1 1   10   21   10 o  288.997   84.062  219.471  124.821  157.617  138.562  485.743  287.492  244.544   97.155  333.450  137.210 -88.90614 168.1236 
1 1 1   10   21   11 o  307.084   86.023  274.347  131.381  198.656  148.656  544.414  280.798  262.220  101.679  351.948  138.785 -89.72815 172.0459 
1 1 1   10   21   12 o  209.987   88.793   88.070  125.332   88.070  125.332   0.0000   0.0000  209.987   88.793  ?   ?       ?      ? 
1 1 1   10   21   13 o  181.110   58.188   11.019   89.165   26.235  115.580 -11.3482  140.133  181.184   80.746  181.036   83.806 0.1471252 116.3765 
1 1 1   10   21   14 o  160.524   53.041 -38.6763   82.692 -66.1478  118.029 -12.1929  115.887  153.734   72.956  167.314   77.011 -13.58009 106.0812 
1 1 1   10   21   15 o  193.792   62.462   35.309  105.426  -9.1853  153.223   75.312  145.283  183.276   85.774  204.309   90.824 -21.03304 124.9246 
1 1 1   10   21   16 o  225.765   71.418  144.355  129.282  161.016  165.509  118.280  207.056  230.538   99.837  220.991  102.150 9.547073 142.8362 
1 1 1   10   21   17 o  260.510   71.157  262.761  115.567  305.530  131.863  121.098  239.986  303.862   97.851  217.158  103.338 86.70433 142.3148 
1 1 1   10   21   18 o  160.261   53.688 -25.8716   63.986 -54.7275   70.355  112.215  153.906  116.494   55.578  204.028   91.874 -87.53307 107.3762 
1 1 1   10   21   19 o  169.781   53.508   48.015   69.474   65.659   80.255  -4.7427  138.779  172.162   71.812  167.400   79.345 4.762024 107.0166 
1 1 1   10   21   20 o  184.836   59.321   61.545   85.245   26.779  102.020  141.965  155.165  161.846   73.643  207.827   93.020 -45.98102 118.6422 
1 1 1   10   21   21 o  189.518   60.241   89.445   90.477   97.906  107.105   68.362  169.065  190.268   81.324  188.768   88.897 1.499680 120.4830 
1 1 1   10   21   22 o  214.408   64.079  163.430   92.123  170.656  110.229  146.693  167.763  223.480   87.306  205.337   93.820 18.14233 128.1582 
1 1 1   10   21   23 o  174.058   53.543   62.046   76.194  126.013   92.255 -75.2156  135.141  201.094   79.470  147.022   71.778 54.07207 107.0867 
1 1 1   10   22    0 o  309.954   73.754  276.845  116.314  422.537  165.694  135.301  163.318  379.970  107.126  239.939  101.403 140.0302 147.5079 
1 1 1   10   22    1 o  118.796   40.637 -107.5820   58.547 -59.1866   73.975 -188.7189   95.784  123.845   58.469  113.747   56.451 10.09846 81.27330 
1 1 1   10   22    2 f  240.811   67.281  132.874   88.775   96.491  108.250  207.600  155.138  212.365   85.363  269.257  104.021 -56.89241 134.5629 
1 1 1   10   22    3 o  199.773   60.534   63.226   70.190   63.304   77.229   62.854  168.286  183.034   72.591  216.511   96.892 -33.47626 121.0681 
1 1 1   10   22    4 o  180.547   56.114   35.724   64.146   41.258   70.814   10.425  151.422  165.947   68.169  195.147   89.152 -29.20052 112.2282 
1 1 1   10   22    5 o  272.899   66.831  219.482   93.269  258.556  107.519  100.685  187.476  314.947   85.352  230.850  102.863 84.09694 133.6627 
1 1 1   10   22    6 o  209.188   60.588   92.560   68.364  105.219   73.190   5.9625  191.428  210.801   72.993  207.575   96.724 3.225128 121.1753 
1 1 1   10   22    7 o  200.466   62.355   55.025   57.546   50.903   59.783  107.050  212.380  165.461   64.391  235.471  106.800 -70.01039 124.7095 
1 1 1   10   22    8 o  334.116   92.187  453.493  175.680  464.720  222.680  434.988  285.900  352.787  126.866  315.446  133.786 37.34146 184.3739 
1 1 1   10   22    9 o  216.383   64.582   82.050   65.650   71.094   69.578  170.956  198.204  183.658   69.984  249.109  108.560 -65.45105 129.1632 
1 1 1   10   22   10 f  233.510   60.917  146.736   74.931  170.990   85.182   63.763  157.555  258.099   77.984  208.921   93.606 49.17879 121.8340 
1 1 1   10   22   11 o  159.295   50.705   15.482   55.476   27.429   60.634 -45.9105  137.451  148.694   62.255  169.895   80.053 -21.20087 101.4110 
1 1 1   10   22   12 f  223.948   79.255  129.867   86.574  129.867   86.574   0.0000   0.0000  223.948   79.255  ?   ?       ?      ? 
1 1 1   10   22   13 o  184.134   56.735   43.594   63.098   25.490   70.722  114.238  139.702  152.845   65.725  215.423   92.498 -62.57863 113.4708 
1 1 1   10   22   14 o  223.171   61.434  144.740   80.345  172.822   94.726   72.744  151.676  246.420   83.097  199.922   90.505 46.49796 122.8671 
1 1 1   10   22   15 o  248.064   68.466  214.799   97.857  230.419  117.487  179.413  176.833  267.542   92.490  228.586  100.975 38.95572 136.9320 
1 1 1   10   22   16 o  128.197   45.080 -111.9360   67.369 -107.9753   75.871 -126.6957  146.463  107.473   52.743  148.921   73.123 -41.44741 90.15965 
1 1 1   10   22   17 o  131.430   45.527 -68.0154   63.407 -53.2160   70.370 -131.8891  146.193  116.313   55.517  146.547   72.173 -30.23337 91.05498 
1 1 1   10   22   18 o  198.305   60.731  105.716   78.198   94.440   89.149  143.338  162.843  188.316   76.821  208.296   94.083 -19.98013 121.4627 
1 1 1   10   22   19 o  167.320   54.727   23.001   71.854   2.7680   82.231   88.332  147.765  143.375   65.577  191.266   87.636 -47.89021 109.4550 
1 1 1   10   22   20 o  143.438   48.846 -35.9136   71.120 -21.0763   80.432 -89.0943  152.274  133.250   62.293  153.626   75.254 -20.37672 97.69131 
1 1 1   10   22   21 o  181.005   57.001   80.128   80.054   98.015   92.151   25.097  161.635  186.931   77.375  175.078   83.724 11.85298 114.0026 
1 1 1   10   22   22 o  166.337   53.586   49.416   75.738   72.678   87.299 -21.3797  152.296  171.458   73.356  161.215   78.133 10.24355 107.1721 
1 1 1   10   23    0 o  178.101   56.299   16.412   77.746   1.2602   98.656   41.244  126.294  163.741   73.661  192.460   85.160 -28.71878 112.5975 
1 1 1   10   23    1 o  183.277   57.539   22.906   84.766   70.590  105.843 -62.3819  141.551  196.437   82.248  170.117   80.487 26.32043 115.0780 
1 1 1   10   23    2 o  152.725   51.279 -34.4792   65.964 -17.0422   72.047 -124.8647  164.031  136.576   62.045  168.874   81.661 -32.29808 102.5575 
1 1 1   10   23    3 o  317.819   76.986  295.499  104.414  262.351  119.721  400.832  213.416  306.908   92.390  328.731  123.172 -21.82260 153.9715 
1 1 1   10   23    4 o  332.673   75.837  249.151   96.869  158.936  108.443  605.385  215.492  243.920   88.417  421.426  123.237 -177.5066 151.6736 
1 1 1   10   23    5 o  233.162   64.927  144.876   90.696  181.085  102.519   14.489  194.540  259.047   86.452  207.278   96.893 51.76901 129.8549 
1 1 1   10   23    6 o  216.406   63.430  107.633   91.584  151.074  102.227 -69.0168  206.144  238.601   85.941  194.210   93.315 44.39088 126.8608 
1 1 1   10   23    7 o  161.441   54.823  -8.1713   56.738  -1.8260   58.826 -92.8209  214.859  130.636   57.946  192.246   93.083 -61.61044 109.6457 
1 1 1   10   23    8 o  192.934   60.884   55.997   75.459   65.622   80.715 -10.7648  212.575  182.040   73.522  203.827   97.067 -21.78783 121.7676 
1 1 1   10   23    9 o  278.480   72.329  259.518  115.658  348.948  148.436  121.324  184.519  331.628  103.459  225.331  101.105 106.2968 144.6577 
1 1 1   10   23   10 o  283.521   73.136  277.252  114.026  358.055  150.917  169.763  174.064  330.750  104.491  236.292  102.357 94.45811 146.2711 
1 1 1   10   23   11 o  189.086   58.836   41.801   73.480   4.1239   85.013  153.095  146.111  151.104   68.140  227.068   95.936 -75.96405 117.6719 
1 1 1   10   23   12 f  226.708   89.028  155.019  115.102  155.019  115.102   0.0000   0.0000  226.708   89.028  ?   ?       ?      ? 
1 1 1   10   23   13 o  144.020   50.063 -103.2265   58.965 -139.6781   64.329   88.419  147.502   90.093   44.962  197.948   89.464 -107.8552 100.1269 
1 1 1   10   23   14 o  286.565   76.257  358.307  138.363  534.248  185.128  135.654  208.258  362.070  115.873  211.060   99.166 151.0100 152.5134 
1 1 1   10   23   15 o  179.979   58.176   54.355   91.322   80.711  110.438  -2.6343  162.395  185.236   80.871  174.721   83.651 10.51581 116.3513 
1 1 1   10   23   16 o  203.742   64.013  122.947  109.317  191.839  137.309   3.6885  180.658  228.343   94.477  179.142   86.397 49.20149 128.0253 
1 1 1   10   23   17 o  217.130  100.166  189.126  197.625   0.0000   0.0000  189.126  197.625  ?   ?   217.130  100.166      ?      ? 
1 1 1   10   23   18 o  173.251   57.733   25.674   86.565   5.2531   98.863   92.775  179.211  152.336   70.475  194.166   91.465 -41.83008 115.4670 
1 1 1   10   23   19 o  172.303   56.433   45.108   88.017   73.126   99.854 -52.4946  186.371  176.459   76.973  168.146   82.548 8.312485 112.8668 
1 1 1   10   23   20 o  167.584   56.313   23.473   85.096   9.0556   96.233   75.169  182.225  149.767   69.373  185.401   88.724 -35.63406 112.6254 
1 1 1   10   24    0 o  176.033   57.225  -1.4082   91.239   48.673  108.592 -121.6333  168.251  184.156   80.302  167.911   81.550 16.24467 114.4498 
1 1 1   10   24    1 o  289.021   74.506  289.642  114.486  315.777  134.131  219.502  219.733  323.964   97.852  254.077  112.381 69.88628 149.0122 
1 1 1   10   24    2 o  209.001   64.542   79.314   81.018   63.511   89.440  151.567  191.250  183.254   76.071  234.748  104.288 -51.49464 129.0845 
1 1 1   10   24    3 o  225.154   64.020  138.336   88.179  167.076   99.953   37.454  187.270  245.534   85.285  204.774   95.502 40.76004 128.0396 
1 1 1   10   24    4 o  197.217   61.702   66.013   78.984   63.727   87.203   76.456  186.365  181.764   75.255  212.669   97.802 -30.90501 123.4042 
1 1 1   10   24    5 o  304.267   89.767  435.662  178.722  346.038  245.555  536.618  260.617  278.671  121.144  329.863  132.501 -51.19183 179.5339 
1 1 1   10   24    6 o  213.561   65.280  111.466   89.748  119.593   98.131   69.907  221.911  213.164   82.625  213.957  101.090 -0.7927094 130.5602 
1 1 1   10   24    7 o  160.657   55.886 -25.6198   60.325 -27.7599   62.591   2.3474  226.261  120.492   55.860  200.822   96.812 -80.32944 111.7715 
1 1 1   10   24    8 o  247.701   67.037  212.344   97.749  240.628  108.051   84.883  229.374  283.362   88.248  212.040  100.937 71.32233 134.0746 
1 1 1   10   24    9 o  160.396   52.483   9.7109   66.565   14.658   74.540  -9.7681  147.905  146.939   65.201  173.852   82.260 -26.91318 104.9662 
1 1 1   10   24   10 o  162.465   52.159   25.208   67.530   49.380   75.065 -77.3771  154.639  163.633   68.929  161.296   78.302 2.336807 104.3184 
1 1 1   10   24   11 f  173.717   56.051   43.215   71.361   46.836   78.269   25.373  173.736  162.579   69.505  184.854   87.954 -22.27539 112.1019 
1 1 1   10   24   12 o  243.476   88.559  195.543  108.924  195.543  108.924   0.0000   0.0000  243.476   88.559  ?   ?       ?      ? 
1 1 1   10   24   13 o  100.964   49.213 -81.1010   62.809 -81.1010   62.809   0.0000   0.0000  100.964   49.213  ?   ?       ?      ? 
1 1 1   10   24   14 o  219.243   63.929  171.300   94.577  199.794  106.526   65.234  205.528  245.193   87.792  193.294   92.952 51.89932 127.8571 
1 1 1   10   24   15 o  186.669   61.499   37.332   85.245  -9.6188   95.158  228.102  191.815  146.239   68.160  227.098  102.386 -80.85918 122.9990 
1 1 1   10   24   16 o  172.739   58.331   15.434   87.692  -5.2541   97.519  102.844  200.449  148.208   69.052  197.270   94.030 -49.06241 116.6613 
1 1 1   10   24   17 o  160.648   55.470 -24.9972   88.388 -33.9081   97.381   16.676  210.592  138.971   66.043  182.325   89.139 -43.35347 110.9390 
1 1 1   10   24   18 o  148.232   50.729 -38.8120   85.479   14.865   92.164 -369.0864  228.615  149.984   68.902  146.481   74.475 3.502655 101.4590 
1 1 1   10   25    0 o  270.091   80.190  310.971  139.063  247.078  176.030  417.046  226.814  251.300  105.689  288.882  120.631 -37.58174 160.3808 
1 1 1   10   25    1 o  224.937   67.152  162.208  101.321  179.492  116.342  107.937  206.153  238.298   90.571  211.576   99.169 26.72234 134.3041 
1 1 1   10   25    2 o  208.819   83.440  121.595  102.759  121.595  102.759   0.0000   0.0000  208.819   83.440  ?   ?       ?      ? 
1 1 1   10   25    3 o  251.464  111.179  284.928  214.839  284.928  214.839   0.0000   0.0000  251.464  111.179  ?   ?       ?      ? 
1 1 1   10   25    4 o  130.716   60.847 -25.9882   75.447 -25.9882   75.447   0.0000   0.0000  130.716   60.847  ?   ?       ?      ? 
1 1 1   10   25    5 o  146.048   72.226 -163.9482  151.683 -163.9482  151.683   0.0000   0.0000  146.048   72.226  ?   ?       ?      ? 
1 1 1   10   25    6 o  230.326   87.008  167.548  106.953  167.548  106.953   0.0000   0.0000  230.326   87.008  ?   ?       ?      ? 
1 1 1   10   25    7 f  174.791   73.156   67.503   83.688   67.503   83.688   0.0000   0.0000  174.791   73.156  ?   ?       ?      ? 
1 1 1   10   25    8 o  153.653   66.499   35.043   73.335   35.043   73.335   0.0000   0.0000  153.653   66.499  ?   ?       ?      ? 
1 1 1   10   25    9 o  206.544   80.805  126.396   94.526  126.396   94.526   0.0000   0.0000  206.544   80.805  ?   ?       ?      ? 
1 1 1   10   25   10 o  126.215   59.152 -28.8731   73.313 -28.8731   73.313   0.0000   0.0000  126.215   59.152  ?   ?       ?      ? 
1 1 1   10   25   11 o  170.913   73.271   61.675   87.416   61.675   87.416   0.0000   0.0000  170.913   73.271  ?   ?       ?      ? 
1 1 1   10   25   12 o  173.923   74.462   67.238   90.063   67.238   90.063   0.0000   0.0000  173.923   74.462  ?   ?       ?      ? 
1 1 1   10   25   13 o  100.988   49.698 -103.3885   68.885 -103.3885   68.885   0.0000   0.0000  100.988   49.698  ?   ?       ?      ? 
1 1 1   10   25   14 o  221.664   67.425  198.775  110.000  218.033  122.552  118.944  249.518  242.714   92.787  200.613   97.852 42.10030 134.8497 
1 1 1   10   25   15 o  216.068   69.524  197.986  124.068  185.578  143.449  234.822  247.166  217.630   93.596  214.506  102.831 3.123856 139.0478 
1 1 1   10   25   16 o  194.375   65.440  119.148  127.701  102.501  147.955  167.774  252.867  188.084   86.732  200.667   98.016 -12.58321 130.8804 
1 1 1   10   26    0 o  275.642   79.818  377.808  138.115  380.624  178.875  373.650  217.347  288.396  111.617  262.888  114.128 25.50800 159.6356 
1 1 1   10   26    1 o  157.852   51.457   16.352   69.322   37.942   78.521 -59.9409  147.604  157.006   68.378  158.698   76.915 -1.691971 102.9149 
1 1 1   10   26    2 o  229.625   60.894  179.389   91.806  265.052  109.956 -17.7751  166.815  286.729   88.978  172.521   83.158 114.2075 121.7879 
1 1 1   10   26    3 o  176.086   54.211   62.202   74.040  103.859   86.450 -52.4581  143.426  193.868   76.829  158.304   76.504 35.56352 108.4227 
1 1 1   10   26    4 o  287.158   70.751  335.961  107.735  389.142  134.906  242.334  179.002  338.540   97.082  235.776  102.947 102.7641 141.5024 
1 1 1   10   26    5 o  239.185   72.990  212.701  121.183  416.080  201.989   98.329  151.472  283.346  115.616  195.024   89.123 88.32199 145.9795 
1 1 1   10   26    6 o  225.532   65.904  183.485   93.700  186.636  111.409  175.869  173.207  234.742   88.771  216.323   97.432 18.41878 131.8084 
1 1 1   10   26    7 o  157.385   53.284 -11.7958   68.028 -25.3113   74.381   57.328  168.214  128.058   59.878  186.713   88.155 -58.65509 106.5677 
1 1 1   10   26    8 o  217.541   81.753  146.912   94.156  146.912   94.156   0.0000   0.0000  217.541   81.753  ?   ?       ?      ? 
1 1 1   10   26    9 o  184.535   60.010   66.612   79.771   57.975   86.496  115.761  206.344  168.247   72.518  200.823   95.635 -32.57571 120.0207 
1 1 1   10   26   10 o  171.808   58.041   24.451   81.477   19.882   87.211   55.803  228.471  151.767   68.673  191.850   93.590 -40.08302 116.0823 
1 1 1   10   26   11 f  107.209   52.529 -95.9042   74.322 -95.9042   74.322   0.0000   0.0000  107.209   52.529  ?   ?       ?      ? 
1 1 1   10   26   12 o  187.086   79.227   99.035  100.020   99.035  100.020   0.0000   0.0000  187.086   79.227  ?   ?       ?      ? 
1 1 1   10   26   13 f   92.132   46.433 -188.7664   77.358 -188.7664   77.358   0.0000   0.0000   92.132   46.433  ?   ?       ?      ? 
1 1 1   10   27    0 o  188.182   89.145   65.116  174.698   0.0000   0.0000   65.116  174.698  ?   ?   188.182   89.145      ?      ? 
1 1 1   10   27    1 o  142.261   49.510 -123.9465   96.414 -168.4738  134.126 -76.3382  138.688  133.787   66.466  150.735   73.397 -16.94753 99.01945 
1 1 1   10   27    2 o  140.071   47.378 -48.9469   73.832   3.5206   85.654 -200.6329  145.638  145.134   66.581  135.008   67.421 10.12642 94.75603 
1 1 1   10   27    3 o  239.136   65.918  224.415  100.049  279.836  121.819  109.562  175.368  280.827   94.237  197.445   92.195 83.38187 131.8353 
1 1 1   10   27    4 o  190.633   60.552   95.373   91.517   88.969  113.781  107.107  154.018  186.042   81.631  195.224   89.458 -9.181992 121.1047 
1 1 1   10   27    5 o  149.847   52.241 -116.4656  109.102 -96.6208  157.024 -134.9877  151.701  153.715   75.525  145.979   72.198 7.735764 104.4827 
1 1 1   10   27    6 o  150.946   52.250 -56.5077   86.856 -59.9664   98.979 -44.9250  181.130  133.538   64.288  168.355   82.386 -34.81773 104.5007 
1 1 1   10   27    7 o  208.618   66.744  139.652   98.633  110.261  109.009  272.370  231.643  192.847   82.225  224.390  105.158 -31.54285 133.4883 
1 1 1   10   27    8 o  136.736   64.271 -20.3644   87.637 -20.3644   87.637   0.0000   0.0000  136.736   64.271  ?   ?       ?      ? 
1 1 1   10   27    9 o  160.588   54.420   6.5538   87.353   40.471   92.517 -272.0974  265.180  159.511   71.580  161.665   81.989 -2.154114 108.8391 
1 1 1   10   27   10 o  237.547   67.702  283.249  131.891  376.083  144.060 -197.6775  327.889  301.154  102.472  173.941   88.509 127.2123 135.4046 
1 1 1   10   28    0 o  198.383   91.026  139.476  160.191   0.0000   0.0000  139.476  160.191  ?   ?   198.383   91.026      ?      ? 
1 1 1   10   28    1 o  215.716   68.815  209.851  122.859  216.470  171.045  202.797  176.586  218.159   97.653  213.273   96.983 4.886063 137.6291 
1 1 1   10   28    2 o  230.256   65.848  225.339  103.678  286.657  127.380  104.983  178.460  270.431   96.089  190.081   90.061 80.35075 131.6967 
1 1 1   10   28    3 o  177.824   83.739   62.471  149.981   62.471  149.981   0.0000   0.0000  177.824   83.739  ?   ?       ?      ? 
1 1 1   11    0    0 o  620.651   19.631  760.898   66.935  760.898   66.935  760.898   66.935  620.651   27.762  620.651   27.762 0.000000 0.000000 
1 1 1   11    0    1 o  545.863   18.688  588.839   55.997  588.839   55.997  588.839   55.997  545.863   26.429  545.863   26.429 -0.000000 0.000000 
1 1 1   11    0    2 o  653.399   28.773  854.296  102.834  854.296  102.834  854.296  102.834  653.399   40.691  653.399   40.691 -0.000000 0.000000 
1 1 1   11    0    3 o  684.365   20.487  925.455   77.061  925.455   77.061  925.455   77.061  684.365   28.973  684.365   28.973 -0.000000 0.000000 
1 1 1   11    0    4 o  323.928   24.013  213.440   41.849  213.440   41.849  213.440   41.849  323.928   33.960  323.928   33.960 0.000000 0.000000 
1 1 1   11    0    5 o   53.420   18.191   8.2264   6.2146   8.2264   6.2146   8.2264   6.2146   53.420   25.726   53.420   25.726 -0.000000 0.000000 
1 1 1   11    0    6 o  177.684   14.876   64.381   14.050   64.381   14.050   64.381   14.050  177.684   21.038  177.684   21.038 0.000000 0.000000 
1 1 1   11    0    7 o  1097.74   37.335  2424.08  224.990  2424.08  224.990  2424.08  224.990  1097.74   52.799  1097.74   52.799 -0.000000 0.000000 
1 1 1   11    0    8 o  314.454   19.232  198.340   32.800  198.340   32.800  198.340   32.800  314.454   27.197  314.454   27.197 -0.000000 0.000000 
1 1 1   11    0    9 o  821.730   30.099  1345.08  135.663  1345.08  135.663  1345.08  135.663  821.730   42.567  821.730   42.567 -0.000000 0.000000 
1 1 1   11    0   16 o  796.634   31.518  1262.30  137.577  1262.30  137.577  1262.30  137.577  796.634   44.573  796.634   44.573 -0.000000 0.000000 
1 1 1   11    0   17 o  113.222   26.426   32.153   14.669   32.153   14.669   32.153   14.669  113.222   37.371  113.222   37.371 0.000000 0.000000 
1 1 1   11    0   18 o  175.988   26.123   68.203   22.344   68.203   22.344   68.203   22.344  175.988   36.943  175.988   36.943 0.000000 0.000000 
1 1 1   11    0   19 o  831.898   32.373  1379.52  147.598  1379.52  147.598  1379.52  147.598  831.898   45.782  831.898   45.782 -0.000000 0.000000 
1 1 1   11    0   20 o  701.578   29.594  981.119  113.652  981.119  113.652  981.119  113.652  701.578   41.853  701.578   41.853 0.000000 0.000000 
1 1 1   11    0   21 o  1293.94   44.127  3374.86  313.441  3374.86  313.441  3374.86  313.441  1293.94   62.405  1293.94   62.405 -0.000000 0.000000 
1 1 1   11    0   22 o  1124.03   39.686  2541.75  244.783  2541.75  244.783  2541.75  244.783  1124.03   56.124  1124.03   56.124 0.000000 0.000000 
1 1 1   11    0   24 o  221.596   24.729  103.787   27.989  103.787   27.989  103.787   27.989  221.596   34.972  221.596   34.972 -0.000000 0.000000 
1 1 1   11    0   25 o   77.062   27.345   17.367   14.274   17.367   14.274   17.367   14.274   77.062   38.672   77.062   38.672 0.000000 0.000000 
1 1 1   11    0   26 f  503.380   47.007  551.171  124.249  551.171  124.249  551.171  124.249  503.380   66.478  503.380   66.478 -0.000000 0.000000 
1 1 1   11    0   27 o  184.634   29.362   77.377   26.111   77.377   26.111   77.377   26.111  184.634   41.524  184.634   41.524 -0.000000 0.000000 
1 1 1   11    0   29 o  151.220   31.107   55.976   22.536   55.976   22.536   55.976   22.536  151.220   43.992  151.220   43.992 -0.000000 0.000000 
1 1 1   11    0   30 f  353.751   23.806  257.239   45.509  257.239   45.509  257.239   45.509  353.751   33.667  353.751   33.667 0.000000 0.000000 
1 1 1   11    0   31 o   64.141   24.998   11.669   12.848   11.669   12.848   11.669   12.848   64.141   35.353   64.141   35.353 0.000000 0.000000 
1 1 1   11    0   32 o  156.874   30.381   59.809   22.742   59.809   22.742   59.809   22.742  156.874   42.965  156.874   42.965 -0.000000 0.000000 
1 1 1   11    0   33 o  186.555   28.874   79.916   26.030   79.916   26.030   79.916   26.030  186.555   40.834  186.555   40.834 -0.000000 0.000000 
1 1 1   11    0   34 o   93.532   29.941   26.043   16.653   26.043   16.653   26.043   16.653   93.532   42.343   93.532   42.343 -0.000000 0.000000 
1 1 1   11    0   35 o  161.684   30.892   63.839   23.825   63.839   23.825   63.839   23.825  161.684   43.688  161.684   43.688 0.000000 0.000000 
1 1 1   11    1    0 o  792.618   22.106  1245.93   68.374  1255.52   97.121  1236.50   96.275  795.636   31.280  789.600   31.244 6.036011 44.21146 
1 1 1   11    1    1 o  416.727   21.139  346.565   32.432  335.978   55.551  352.039   39.947  410.793   34.653  422.662   24.219 -11.86920 42.27732 
1 1 1   11    1    2 o  557.616   23.019  616.987   47.172  620.252   81.832  615.362   57.729  557.027   37.646  558.204   26.501 -1.177246 46.03828 
1 1 1   11    1    3 o  766.407   26.797  1170.73   75.176  1162.19   91.578  1188.37  131.640  765.424   30.659  767.390   43.958 -1.966614 53.59381 
1 1 1   11    1    4 o  502.397   22.159  498.472   40.784  493.179   49.660  509.440   71.485  499.818   25.460  504.975   36.275 -5.157654 44.31855 
1 1 1   11    1    5 o  288.379   15.113  169.589   16.241  189.048   20.906  139.973   25.791  310.421   17.258  266.337   24.815 44.08392 30.22606 
1 1 1   11    1    6 o  425.531   20.240  361.678   32.402  370.952   41.042  346.333   52.792  433.715   24.249  417.347   32.415 16.36829 40.48098 
1 1 1   11    1    7 o  265.319   18.897  146.218   18.434  167.989   23.679  112.718   29.372  292.333   20.756  238.304   31.585 54.02905 37.79440 
1 1 1   11    1    8 o  491.688   21.004  478.866   38.851  480.428   48.907  476.194   63.961  493.691   25.385  489.685   33.471 4.005646 42.00857 
1 1 1   11    1    9 f  538.310   50.992  689.052   74.166  734.991   82.509  495.731  169.259  608.523   34.745  468.097   95.883 140.4265 101.9844 
1 1 1   11    1   10 f  100.850   21.215   23.013   8.7992   27.838   9.6243  -1.5640   21.721  117.225   21.842   84.474   36.375 32.75063 42.42936 
1 1 1   11    1   11 o  915.644  182.842  2302.11  630.459  2302.11  630.459   0.0000   0.0000  915.644  182.842  ?   ?       ?      ? 
1 1 1   11    1   13 o  352.084   33.257  244.669   45.695  244.669   45.695   0.0000   0.0000  352.084   33.257  ?   ?       ?      ? 
1 1 1   11    1   14 f  692.771   41.196  952.441  111.372  952.441  111.372   0.0000   0.0000  692.771   41.196  ?   ?       ?      ? 
1 1 1   11    1   15 o  1657.68   70.515  5628.16  456.158  5628.16  456.158   0.0000   0.0000  1657.68   70.515  ?   ?       ?      ? 
1 1 1   11    1   16 o  428.051   28.515  360.500   47.632  360.500   47.632   0.0000   0.0000  428.051   28.515  ?   ?       ?      ? 
1 1 1   11    1   17 o  198.750   46.219   77.186   42.434   53.163   61.092   99.581   58.985  178.670   66.106  218.830   64.614 -40.16000 92.43841 
1 1 1   11    1   18 o  334.770   33.150  221.449   43.307  221.449   43.307   0.0000   0.0000  334.770   33.150  ?   ?       ?      ? 
1 1 1   11    1   19 f  754.329   30.508  1132.43   89.665  1188.03  131.412  1083.99  122.650  771.411   43.653  737.247   42.631 34.16473 61.01643 
1 1 1   11    1   20 o  578.886   26.938  662.777   60.703  713.751   89.737  619.773   82.424  599.233   38.375  558.540   37.815 40.69330 53.87580 
1 1 1   11    1   21 o  493.925   23.113  471.015   43.245  436.564   54.136  531.766   71.888  470.240   29.501  517.610   35.589 -47.37036 46.22665 
1 1 1   11    1   22 o  466.635   31.411  445.396   53.835  412.968   91.311  462.673   66.651  450.901   51.893  482.370   35.407 -31.46909 62.82164 
1 1 1   11    1   23 o  412.225   31.016  337.315   49.894  337.315   49.894   0.0000   0.0000  412.225   31.016  ?   ?       ?      ? 
1 1 1   11    1   24 o  212.234   33.163   89.997   27.467   89.997   27.467   0.0000   0.0000  212.234   33.163  ?   ?       ?      ? 
1 1 1   11    1   25 o  371.017   69.282  309.070   96.622  309.070   96.622   0.0000   0.0000  371.017   69.282  ?   ?       ?      ? 
1 1 1   11    1   26 o  365.080   74.618  312.892  102.717  312.892  102.717   0.0000   0.0000  365.080   74.618  ?   ?       ?      ? 
1 1 1   11    1   27 o  409.241   76.323  402.891  117.406  402.891  117.406   0.0000   0.0000  409.241   76.323  ?   ?       ?      ? 
1 1 1   11    1   28 o  122.899   38.688   31.253   20.704   31.253   20.704   0.0000   0.0000  122.899   38.688  ?   ?       ?      ? 
1 1 1   11    1   29 o  179.602   24.660   67.217   16.567   78.082   25.210   58.958   21.980  192.499   34.843  166.705   34.905 25.79373 49.31924 
1 1 1   11    1   30 o  342.454   50.411  186.247   71.079  658.555  145.191   37.369   81.516  519.104   71.673  165.805   70.909 353.2990 100.8223 
1 1 1   11    1   31 o  243.374   23.904  123.411   22.669  120.842   32.713  125.785   31.443  240.450   34.863  246.297   32.714 -5.847656 47.80847 
1 1 1   11    1   34 o  285.500   35.141  173.329   39.152  173.329   39.152   0.0000   0.0000  285.500   35.141  ?   ?       ?      ? 
1 1 1   11    1   35 o  297.151   34.359  188.471   39.843   0.0000   0.0000  188.471   39.843  ?   ?   297.151   34.359      ?      ? 
1 1 1   11    2    0 o  854.472   28.361  1485.35   90.651  1545.55  114.560  1384.54  148.260  881.566   33.300  827.378   45.918 54.18793 56.72208 
1 1 1   11    2    1 o  407.790   20.733  325.522   31.123  340.860   54.370  318.047   37.956  413.895   33.662  401.686   24.214 12.20828 41.46617 
1 1 1   11    2    2 o  951.573   30.863  1792.24  105.580  1915.70  193.329  1739.77  126.035  968.702   51.142  934.444   34.562 34.25781 61.72538 
1 1 1   11    2    3 o  324.398   19.832  204.225   23.535  197.024   28.451  219.831   41.886  316.253   23.054  332.543   32.277 -16.28955 39.66441 
1 1 1   11    2    4 o  746.203   26.354  1127.98   73.059  1162.91   91.307  1065.81  121.808  765.492   30.565  726.914   42.940 38.57849 52.70733 
1 1 1   11    2    5 o  354.723   18.881  244.740   25.050  235.266   30.991  262.598   42.547  345.571   22.981  363.875   29.963 -18.30356 37.76135 
1 1 1   11    2    6 o  542.050   21.818  593.016   44.729  764.733   63.631  425.282   62.888  622.236   26.205  461.863   34.892 160.3730 43.63645 
1 1 1   11    2    7 o  504.371   21.448  519.186   40.912  606.494   54.954  410.628   61.278  554.528   25.395  454.213   34.571 100.3156 42.89584 
1 1 1   11    2    8 o  356.486   22.183  251.416   30.770  278.850   44.348  225.951   42.727  375.398   30.272  337.573   32.434 37.82559 44.36660 
1 1 1   11    2    9 o  282.833   40.955  197.046   31.492  210.247   34.074  119.718   82.467  326.644   26.731  239.021   77.425 87.62328 81.91003 
1 1 1   11    2   10 o  211.121   29.666  128.560   19.307  151.121   21.382   28.917   44.935  277.613   19.736  144.628   55.952 132.9850 59.33121 
1 1 1   11    2   11 f  535.353  108.984  652.383  219.944  652.383  219.944   0.0000   0.0000  535.353  108.984  ?   ?       ?      ? 
1 1 1   11    2   12 o  209.201   65.979   89.100   60.193   89.100   60.193   0.0000   0.0000  209.201   65.979  ?   ?       ?      ? 
1 1 1   11    2   13 o  698.037  130.459  1136.89  342.306  1136.89  342.306   0.0000   0.0000  698.037  130.459  ?   ?       ?      ? 
1 1 1   11    2   14 o  869.330  160.818  1876.06  525.476  1876.06  525.476   0.0000   0.0000  869.330  160.818  ?   ?       ?      ? 
1 1 1   11    2   15 o  450.995   33.733  401.390   59.369  401.390   59.369   0.0000   0.0000  450.995   33.733  ?   ?       ?      ? 
1 1 1   11    2   16 o  172.892   33.902   61.006   22.056   61.006   22.056   0.0000   0.0000  172.892   33.902  ?   ?       ?      ? 
1 1 1   11    2   17 o  359.963   28.679  255.106   40.285  255.106   40.285   0.0000   0.0000  359.963   28.679  ?   ?       ?      ? 
1 1 1   11    2   18 f  911.845   82.285  1968.48  179.146  2007.62  192.714  1719.51  486.044  1000.27   49.370  823.419  156.990 176.8537 164.5699 
1 1 1   11    2   19 o  408.456   49.353  391.107   42.549  400.769   44.745  299.887  137.487  451.428   25.400  365.484   95.383 85.94421 98.70688 
1 1 1   11    2   20 o  848.441   72.675  1382.38  142.256  1332.55  149.148  1884.50  473.454  815.026   46.893  881.855  137.578 -66.82855 145.3503 
1 1 1   11    2   21 o  702.213   70.252  1093.77  121.876  1094.01  130.935  1092.21  333.458  738.389   45.440  666.037  132.952 72.35229 140.5030 
1 1 1   11    2   22 o  513.430   28.841  520.978   57.787  520.978   57.787   0.0000   0.0000  513.430   28.841  ?   ?       ?      ? 
1 1 1   11    2   23 f  704.196   31.022  984.687   85.251  984.687   85.251   0.0000   0.0000  704.196   31.022  ?   ?       ?      ? 
1 1 1   11    2   24 o  283.747   30.813  160.415   34.119  160.415   34.119   0.0000   0.0000  283.747   30.813  ?   ?       ?      ? 
1 1 1   11    2   25 o  694.811   26.254  974.275   68.284  967.228   85.272  986.872  114.006  694.844   31.448  694.778   42.048 0.6585693E-01 52.50728 
1 1 1   11    2   26 o  230.927   23.622  108.115   21.208  103.516   30.916  112.203   29.148  225.862   35.075  235.991   31.650 -10.12949 47.24428 
1 1 1   11    2   27 o  689.407   32.081  963.130   86.309  963.130   86.309   0.0000   0.0000  689.407   32.081  ?   ?       ?      ? 
1 1 1   11    2   29 o  505.717   37.370  529.498   73.751   0.0000   0.0000  529.498   73.751  ?   ?   505.717   37.370      ?      ? 
1 1 1   11    2   30 o  298.978   31.607  183.087   36.877  183.087   36.877   0.0000   0.0000  298.978   31.607  ?   ?       ?      ? 
1 1 1   11    2   31 f  204.876   26.133   91.168   20.107   73.792   29.144  106.954   27.778  182.136   41.878  227.615   31.273 -45.47964 52.26630 
1 1 1   11    2   32 o  469.705   69.146  567.996  126.744  567.996  126.744   0.0000   0.0000  469.705   69.146  ?   ?       ?      ? 
1 1 1   11    2   33 o  373.178   85.644  415.710  122.080  415.710  122.080   0.0000   0.0000  373.178   85.644  ?   ?       ?      ? 
1 1 1   11    2   34 o  330.339   77.025  310.505   97.466  310.505   97.466   0.0000   0.0000  330.339   77.025  ?   ?       ?      ? 
1 1 1   11    2   35 o  163.111   32.517   76.226   25.363 -58.8928   75.729   93.297   26.918  116.459   56.109  209.764   32.884 -93.30466 65.03477 
1 1 1   11    3    0 o  859.613   28.498  1502.96   91.472  1555.31  115.152  1413.43  150.583  883.995   33.380  835.231   46.200 48.76373 56.99683 
1 1 1   11    3    1 o  697.446   28.583  966.081   77.080  1057.08  119.077  900.455  101.124  724.539   42.115  670.352   38.656 54.18781 57.16608 
1 1 1   11    3    2 o  752.885   25.365  1151.41   73.039  1270.31   97.685  1000.67  109.991  799.786   31.299  705.984   39.924 93.80200 50.72955 
1 1 1   11    3    3 o  439.723   23.957  376.452   40.634  451.466   63.425  324.224   52.922  475.963   34.147  403.483   33.611 72.48032 47.91356 
1 1 1   11    3    4 o  567.436   23.318  642.849   48.626  647.127   59.656  634.380   83.939  572.164   26.718  562.708   38.225 9.455872 46.63696 
1 1 1   11    3    5 o  484.870   25.542  465.032   48.082  532.865   71.907  410.176   64.664  516.685   35.663  453.054   36.575 63.63086 51.08369 
1 1 1   11    3    6 o  362.483   22.249  260.260   31.404  285.184   45.423  237.437   43.467  379.223   30.694  345.742   32.216 33.48093 44.49699 
1 1 1   11    3    7 o  686.882   27.417  891.465   71.001  1152.60  121.130  754.784   87.634  758.389   40.929  615.375   36.492 143.0143 54.83472 
1 1 1   11    3    8 o  177.851   41.504   62.113   33.713   74.772   48.283   50.069   47.095  190.507   58.936  165.195   58.455 25.31180 83.00864 
1 1 1   11    3    9 o  356.681   26.298  250.527   36.605  250.527   36.605   0.0000   0.0000  356.681   26.298  ?   ?       ?      ? 
1 1 1   11    3   10 o  288.215   41.451  206.665   32.635  221.887   35.383  119.941   84.459  335.719   27.008  240.710   78.380 95.00867 82.90279 
1 1 1   11    3   11 o  1060.91  105.978  3175.97  273.020  3431.49  300.942  1987.56  649.024  1300.21   59.311  821.602  203.488 478.6094 211.9559 
1 1 1   11    3   12 o  256.804   73.953  139.787   78.135  139.787   78.135   0.0000   0.0000  256.804   73.953  ?   ?       ?      ? 
1 1 1   11    3   13 o  712.189  132.430  1185.82  354.510  1185.82  354.510   0.0000   0.0000  712.189  132.430  ?   ?       ?      ? 
1 1 1   11    3   14 o  344.948   85.427  258.139  114.393  258.139  114.393   0.0000   0.0000  344.948   85.427  ?   ?       ?      ? 
1 1 1   11    3   15 o  422.687   94.405  392.194  151.788  392.194  151.788   0.0000   0.0000  422.687   94.405  ?   ?       ?      ? 
1 1 1   11    3   16 o  596.163   37.199  703.527   86.541  703.527   86.541   0.0000   0.0000  596.163   37.199  ?   ?       ?      ? 
1 1 1   11    3   17 o  310.855   36.515  288.861   28.769  333.327   31.769   86.250   67.815  412.424   19.739  209.286   70.311 203.1382 73.02911 
1 1 1   11    3   18 o  218.595   31.972  124.675   22.581  145.864   25.496   47.591   48.628  272.496   23.976  164.694   59.279 107.8011 63.94416 
1 1 1   11    3   19 f  452.417   49.657  382.293   57.826  365.912   61.746  499.153  164.919  429.464   36.842  475.371   92.229 -45.90625 99.31496 
1 1 1   11    3   20 o  240.324   37.986   89.775   23.659   81.283   24.946  165.817   74.645  202.805   31.520  277.844   69.126 -75.03929 75.97289 
1 1 1   11    3   21 o  738.711   62.862  1063.30   84.370  1047.86   86.835  1323.66  356.618  728.084   30.562  749.338  121.953 -21.25391 125.7245 
1 1 1   11    3   22 o  349.246   45.280  230.515   35.386  224.391   37.043  294.435  119.671  337.002   28.167  361.490   86.069 -24.48801 90.56094 
1 1 1   11    3   23 o  199.887   37.038   82.351   27.827   82.351   27.827   0.0000   0.0000  199.887   37.038  ?   ?       ?      ? 
1 1 1   11    3   24 o  310.685   28.046  191.746   34.004  191.746   34.004   0.0000   0.0000  310.685   28.046  ?   ?       ?      ? 
1 1 1   11    3   25 o  165.005   44.204   33.409   21.637   30.065   22.325   85.184   87.837  123.094   40.308  206.916   78.684 -83.82251 88.40786 
1 1 1   11    3   26 o  437.730   56.142  355.794   45.629  341.664   46.969  592.908  192.406  412.647   29.168  462.813  108.430 -50.16592 112.2849 
1 1 1   11    3   27 o  359.017   57.504  311.451   42.466  310.255   43.852  329.479  170.241  392.684   28.616  325.350  111.392 67.33368 115.0085 
1 1 1   11    3   28 o  243.111   62.249  138.192   59.311  138.192   59.311   0.0000   0.0000  243.111   62.249  ?   ?       ?      ? 
1 1 1   11    3   29 o  210.565   94.402   69.817  160.519   0.0000   0.0000   69.817  160.519  ?   ?   210.565   94.402      ?      ? 
1 1 1   11    3   30 o  547.331   30.893  612.880   65.984  612.880   65.984   0.0000   0.0000  547.331   30.893  ?   ?       ?      ? 
1 1 1   11    3   31 o  284.787   32.355  168.270   35.958  168.270   35.958   0.0000   0.0000  284.787   32.355  ?   ?       ?      ? 
1 1 1   11    3   32 o  191.965   25.823   78.459   18.340   90.918   29.284   70.419   23.525  203.556   38.270  180.374   34.680 23.18132 51.64635 
1 1 1   11    3   33 o  245.547   81.747  186.086   91.683  186.086   91.683   0.0000   0.0000  245.547   81.747  ?   ?       ?      ? 
1 1 1   11    3   34 o  147.467   65.081   27.158   73.287   27.158   73.287   0.0000   0.0000  147.467   65.081  ?   ?       ?      ? 
1 1 1   11    4    0 o   91.313   25.690   7.8579   12.480   5.1943   14.645   14.922   23.849   77.285   31.280  105.342   40.760 -28.05711 51.37942 
1 1 1   11    4    1 o  379.151   23.536  284.484   34.686  305.289   51.945  267.743   46.596  391.420   34.007  366.882   32.546 24.53775 47.07145 
1 1 1   11    4    2 o  202.937   17.070   74.587   12.883   60.355   15.593  105.197   22.868  175.041   22.828  230.833   25.386 -55.79219 34.14034 
1 1 1   11    4    3 f  199.176   37.806   64.182   22.704  120.229   61.414   55.310   24.435  235.388   64.805  162.964   38.953 72.42368 75.61127 
1 1 1   11    4    4 o  300.221   42.439  205.202   34.505  167.359   90.228  211.685   37.343  273.567   79.670  326.876   29.275 -53.30893 84.87881 
1 1 1   11    4    5 o  136.547   21.253   37.856   11.344   49.265   16.218   26.926   15.874  157.953   26.311  115.141   33.385 42.81293 42.50613 
1 1 1   11    4    6 o  719.482   39.683  1035.97  111.418  1035.97  111.418   0.0000   0.0000  719.482   39.683  ?   ?       ?      ? 
1 1 1   11    4    7 o  948.354   47.109  1812.98  174.343  1812.98  174.343   0.0000   0.0000  948.354   47.109  ?   ?       ?      ? 
1 1 1   11    4    8 o  208.706   31.094   86.117   25.324   86.117   25.324   0.0000   0.0000  208.706   31.094  ?   ?       ?      ? 
1 1 1   11    4    9 o  289.995   37.433  165.743   29.475  162.732   31.844  183.757   77.884  287.325   28.400  292.665   69.270 -5.339569 74.86597 
1 1 1   11    4   10 o  280.658   40.403  160.059   28.992  159.407   30.871  164.935   84.392  284.529   27.803  276.786   75.871 7.742493 80.80518 
1 1 1   11    4   11 o  417.889   46.330  302.610   46.941  286.259   49.498  448.665  147.937  380.693   33.318  455.086   86.463 -74.39288 92.66034 
1 1 1   11    4   12 o  105.932   27.985   22.864   11.742   22.864   11.742   0.0000   0.0000  105.932   27.985  ?   ?       ?      ? 
1 1 1   11    4   13 f  458.230   60.177  424.669  107.608  424.669  107.608   0.0000   0.0000  458.230   60.177  ?   ?       ?      ? 
1 1 1   11    4   14 o  703.069   38.678  978.899  106.118  978.899  106.118   0.0000   0.0000  703.069   38.678  ?   ?       ?      ? 
1 1 1   11    4   15 o  512.010   33.552  517.378   67.040  517.378   67.040   0.0000   0.0000  512.010   33.552  ?   ?       ?      ? 
1 1 1   11    4   16 o  575.599   61.005  747.586   81.649  761.411   87.080  646.989  234.894  620.404   35.967  530.793  116.589 89.61188 122.0107 
1 1 1   11    4   17 o  1042.45   36.251  2152.01  147.474  2152.01  147.474   0.0000   0.0000  1042.45   36.251  ?   ?       ?      ? 
1 1 1   11    4   18 o  122.716   33.323   18.552   22.377   9.2957   29.192   31.742   34.847  107.805   43.966  137.627   50.086 -29.82175 66.64535 
1 1 1   11    4   19 o  374.925   45.405  285.424   35.744  283.881   37.331  302.422  123.910  379.929   25.179  369.920   87.250 10.00882 90.81047 
1 1 1   11    4   20 o  619.717   57.957  760.947   66.659  751.746   68.916  894.583  262.642  617.392   28.604  622.042  112.330 -4.650696 115.9149 
1 1 1   11    4   21 o  463.361   53.292  488.827   49.546  495.192   51.804  420.542  169.676  501.250   26.484  425.471  103.242 75.77927 106.5844 
1 1 1   11    4   22 o  356.852   48.160  291.168   37.189  295.680   38.989  245.658  123.828  387.150   25.807  326.554   92.798 60.59555 96.31990 
1 1 1   11    4   23 o  137.835   38.191   39.311   21.251   39.311   21.251   0.0000   0.0000  137.835   38.191  ?   ?       ?      ? 
1 1 1   11    4   24 o  220.761   39.616  130.449   26.799  141.137   28.095   22.511   89.280  266.623   27.002  174.899   74.489 91.72440 79.23198 
1 1 1   11    4   25 o  298.764   49.621  204.656   33.552  205.614   34.839  192.400  124.598  321.035   27.809  276.494   95.267 44.54086 99.24267 
1 1 1   11    4   26 o  293.834   51.648  140.751   30.502  132.432   31.292  299.275  136.596  256.233   31.294  331.434   98.442 -75.20081 103.2965 
1 1 1   11    4   27 o  393.514  127.497  540.542  223.612   0.0000   0.0000  540.542  223.612  ?   ?   393.514  127.497      ?      ? 
1 1 1   11    4   28 o  101.422   42.813   5.7269   29.057   5.7269   29.057   0.0000   0.0000  101.422   42.813  ?   ?       ?      ? 
1 1 1   11    4   29 o  221.939   94.552  116.690  143.930   0.0000   0.0000  116.690  143.930  ?   ?   221.939   94.552      ?      ? 
1 1 1   11    4   30 o  290.479   55.322  204.993   37.878  202.242   38.922  254.197  164.612  313.737   31.791  267.221  105.979 46.51572 110.6445 
1 1 1   11    4   31 o  275.213   52.329  184.945   38.177  180.607   39.697  238.357  139.288  293.501   34.659  256.925   98.753 36.57648 104.6581 
1 1 1   11    4   32 o  305.130  111.975  410.057  174.699   0.0000   0.0000  410.057  174.699  ?   ?   305.130  111.975      ?      ? 
1 1 1   11    4   33 f  155.755   47.529   34.584   54.925   73.102   74.624 -10.9492   81.136  173.888   70.530  137.621   63.730 36.26694 95.05805 
1 1 1   11    4   34 o  146.443   39.748   48.516   28.336   56.942   29.672 -38.8455   95.539  156.379   45.729  136.508   65.026 19.87106 79.49535 
1 1 1   11    5    0 o  347.819   20.135  247.274   26.025  270.072   33.146  210.631   42.023  370.284   22.939  325.354   33.098 44.92969 40.26965 
1 1 1   11    5    1 o  447.140   24.369  397.418   42.365  410.031   63.055  387.041   57.197  453.263   35.648  441.017   33.234 12.24527 48.73743 
1 1 1   11    5    2 o  245.508   18.585  118.208   17.594  145.908   26.025   94.895   23.876  272.003   24.518  219.013   27.936 52.99007 37.16918 
1 1 1   11    5    3 o  489.987   34.214  478.038   65.421   0.0000   0.0000  478.038   65.421  ?   ?   489.987   34.214      ?      ? 
1 1 1   11    5    4 o  354.121   21.968  247.455   30.235  281.047   44.314  218.197   41.357  376.664   30.148  331.578   31.962 45.08606 43.93692 
1 1 1   11    5    5 o  466.888   72.413  508.712  128.383  461.764  178.310  559.248  184.998  441.993  104.944  491.783   99.807 -49.79001 144.8264 
1 1 1   11    5    6 o  289.849   40.351  131.174   31.862  115.326   33.938  248.948   92.519  240.800   36.116  338.897   72.169 -98.09712 80.70113 
1 1 1   11    5    7 o  726.475   61.436  952.470   99.164  914.681  103.338  1392.12  352.474  677.589   39.080  775.361  116.491 -97.77185 122.8711 
1 1 1   11    5    8 o  176.512   34.737   60.636   20.454   59.490   22.462   66.204   49.497  170.270   34.975  182.754   60.027 -12.48463 69.47330 
1 1 1   11    5    9 f  924.810   68.034  1217.82  112.906  1149.91  115.325  2785.41  554.084  760.820   38.843  1088.80  130.405 -327.9789 136.0674 
1 1 1   11    5   10 o  643.966   63.148  866.761   87.469  861.858   91.866  914.345  286.173  659.887   35.674  628.045  121.153 31.84235 126.2963 
1 1 1   11    5   11 o  424.922   56.697  364.383   94.016  364.383   94.016   0.0000   0.0000  424.922   56.697  ?   ?       ?      ? 
1 1 1   11    5   12 o  326.657   53.094  214.181   67.682  214.181   67.682   0.0000   0.0000  326.657   53.094  ?   ?       ?      ? 
1 1 1   11    5   13 o  104.564   37.346   18.526   19.265   18.526   19.265   0.0000   0.0000  104.564   37.346  ?   ?       ?      ? 
1 1 1   11    5   14 f  1136.49  119.319  2880.77  529.184  2880.77  529.184   0.0000   0.0000  1136.49  119.319  ?   ?       ?      ? 
1 1 1   11    5   15 o  734.407   91.974  1236.57  256.466  1452.20  380.035  1056.25  347.534  803.650  121.178  665.165  138.392 138.4847 183.9473 
1 1 1   11    5   16 o  188.969   44.961   69.123   39.204   66.854   54.621   71.533   56.302  186.411   63.099  191.526   64.067 -5.114563 89.92245 
1 1 1   11    5   17 o  882.716   44.514  1555.32  153.337  1555.32  153.337   0.0000   0.0000  882.716   44.514  ?   ?       ?      ? 
1 1 1   11    5   18 o  440.085   50.676  444.342   45.750  452.587   47.974  361.550  152.021  479.699   25.627  400.471   98.059 79.22818 101.3528 
1 1 1   11    5   19 o  914.827   88.640  2172.80  147.128  2222.20  153.682  1630.38  509.233  1057.92   37.225  771.732  173.327 286.1887 177.2796 
1 1 1   11    5   20 o  734.400   72.636  1280.63   95.086  1294.73   98.707  1098.91  354.302  809.267   31.255  659.533  141.870 149.7341 145.2718 
1 1 1   11    5   21 o  158.737   31.945   54.266   17.461   58.450   18.729   26.459   48.282  172.078   27.890  145.397   57.481 26.68100 63.88990 
1 1 1   11    5   22 o  384.074   26.790  291.447   40.154  291.447   40.154   0.0000   0.0000  384.074   26.790  ?   ?       ?      ? 
1 1 1   11    5   23 o  1066.96  132.864  3251.19  207.528  3213.73  212.492  4025.02  965.824  1258.81   43.257  875.125  262.184 383.6811 265.7279 
1 1 1   11    5   24 o  329.991   48.925  234.141   35.013  232.746   36.481  250.426  124.660  342.141   27.323  317.840   93.957 24.30051 97.84914 
1 1 1   11    5   25 o  388.066   52.303  293.092   39.806  284.429   41.151  419.125  156.960  377.313   27.948  398.819  100.802 -21.50623 104.6051 
1 1 1   11    5   26 o  339.189  111.544  347.906  170.894   0.0000   0.0000  347.906  170.894  ?   ?   339.189  111.544      ?      ? 
1 1 1   11    5   27 o  421.198  135.673  662.456  253.490   0.0000   0.0000  662.456  253.490  ?   ?   421.198  135.673      ?      ? 
1 1 1   11    5   28 o  200.634   55.904   71.710   43.226   66.791   45.270  122.500  145.468  173.586   57.426  227.682   95.934 -54.09529 111.8080 
1 1 1   11    5   29 o  196.566   56.774   49.727   34.136   42.785   34.978  188.612  156.452  143.864   50.424  249.269  101.737 -105.4053 113.5471 
1 1 1   11    5   30 o  155.014   50.244   17.689   34.428   15.436   35.415   56.417  146.832  116.116   48.007  193.913   88.278 -77.79700 100.4874 
1 1 1   11    5   31 o  241.436   52.588  174.051   53.382  184.419   58.030  116.993  136.127  278.655   55.316  204.218   89.455 74.43680 105.1765 
1 1 1   11    5   32 o  170.381   49.314   65.392   48.670   66.685   56.294   61.567   96.849  167.066   63.121  173.695   75.785 -6.629059 98.62894 
1 1 1   11    5   33 o  161.460   47.207   34.582   30.387   25.377   31.893  125.230  100.082  119.753   46.913  203.167   81.933 -83.41334 94.41331 
1 1 1   11    5   34 o  219.665   38.539  162.312   37.583  187.238   39.589 -65.1777  119.599  296.871   34.172  142.459   69.089 154.4122 77.07791 
1 1 1   11    6    0 o  120.775   27.360   29.432   13.785   32.922   15.803   18.318   28.196  126.406   32.004  115.145   44.385 11.26163 54.71988 
1 1 1   11    6    1 o  500.241   24.398  497.901   47.628  498.035   67.331  497.767   67.382  500.313   34.486  500.168   34.522 0.1442566 48.79607 
1 1 1   11    6    2 o  297.184   22.378  173.626   25.818  190.290   39.013  160.640   34.439  309.664   32.284  284.704   30.997 24.95993 44.75551 
1 1 1   11    6    3 o  227.566   25.714  126.321   21.076  219.951   28.931   20.447   30.765  334.449   22.167  120.683   46.405 213.7660 51.42776 
1 1 1   11    6    4 o  301.296   42.437  163.359   34.651  153.305   37.092  232.269   97.107  277.864   34.207  324.727   77.675 -46.86304 84.87352 
1 1 1   11    6    5 o  227.326   27.262  101.908   24.184  101.908   24.184   0.0000   0.0000  227.326   27.262  ?   ?       ?      ? 
1 1 1   11    6    6 o  276.518   53.194  165.062   59.452  135.092   82.616  197.253   85.621  251.446   76.978  301.590   73.436 -50.14386 106.3883 
1 1 1   11    6    7 o  588.989   74.234  752.705  163.594  545.589  212.888  1051.38  255.650  482.068  114.809  695.910   94.137 -213.8421 148.4683 
1 1 1   11    6    8 o  854.658   68.234  1261.21  122.456  1205.40  126.794  2035.35  472.231  777.893   41.768  931.424  129.920 -153.5314 136.4686 
1 1 1   11    6    9 o  432.588   55.887  391.550   86.862  381.112  106.070  412.804  151.349  432.377   62.863  432.799   92.421 -0.4219055 111.7740 
1 1 1   11    6   10 o  334.870   50.092  239.177   61.340  249.026   75.425  219.940  105.411  351.585   54.973  318.155   83.754 33.42978 100.1842 
1 1 1   11    6   11 o  395.232   54.621  344.546   77.668  379.272   96.349  280.107  131.250  433.726   56.924  356.738   93.240 76.98740 109.2430 
1 1 1   11    6   12 f  240.014   46.270  124.802   42.548  134.947   50.213   98.973   80.123  255.158   52.188  224.870   76.421 30.28802 92.54086 
1 1 1   11    6   13 o  285.229   57.057  169.237   61.291  169.237   61.291   0.0000   0.0000  285.229   57.057  ?   ?       ?      ? 
1 1 1   11    6   14 f  485.469   57.998  475.661  109.878  475.661  109.878   0.0000   0.0000  485.469   57.998  ?   ?       ?      ? 
1 1 1   11    6   15 o  332.222   48.519  222.385   56.749  205.051   67.608  263.725  104.407  314.288   57.232  350.156   78.363 -35.86813 97.03773 
1 1 1   11    6   16 o  437.973   58.823  430.371   92.361  478.400  115.213  343.996  154.505  485.091   60.862  390.855  100.680 94.23557 117.6462 
1 1 1   11    6   17 o  731.017   39.604  1062.16  112.979  1062.16  112.979   0.0000   0.0000  731.017   39.604  ?   ?       ?      ? 
1 1 1   11    6   18 o  928.898   80.961  1748.91  157.367  1710.25  163.824  2210.53  566.103  924.440   45.412  933.356  155.423 -8.916443 161.9217 
1 1 1   11    6   19 o  600.591   62.466  1046.84   81.029  1142.50   87.456  466.846  215.342  760.928   29.452  440.254  121.410 320.6732 124.9314 
1 1 1   11    6   20 o  220.323   68.281  101.662   64.777  101.662   64.777   0.0000   0.0000  220.323   68.281  ?   ?       ?      ? 
1 1 1   11    6   21 o  598.246   29.238  707.813   68.258  707.813   68.258   0.0000   0.0000  598.246   29.238  ?   ?       ?      ? 
1 1 1   11    6   22 o  189.511   36.801   76.575   21.728   79.385   23.098   54.961   64.052  200.066   29.585  178.956   67.395 21.10947 73.60273 
1 1 1   11    6   23 o  160.621   35.957   56.069   20.035   60.832   20.987   7.1331   67.272  171.879   32.480  149.364   64.162 22.51477 71.91446 
1 1 1   11    6   24 f  157.075   36.083   53.225   19.546   57.655   20.339  -0.2586   70.675  166.879   32.400  147.272   64.485 19.60704 72.16692 
1 1 1   11    6   25 o  336.428   51.130  295.442   38.420  302.742   40.098  213.672  134.199  389.522   26.379  283.333   98.798 106.1888 102.2591 
1 1 1   11    6   26 o  252.243   47.465  136.523   27.701  135.518   28.542  152.820  114.957  259.728   28.160  244.759   90.656 14.96878 94.92922 
1 1 1   11    6   27 o  145.873   46.447   5.1308   39.512   3.9082   42.455   13.043  108.004  117.533   50.732  174.214   77.817 -56.68093 92.89384 
1 1 1   11    6   28 o  223.255   50.104  137.837   52.251  162.882   55.943 -33.3250  146.249  268.167   55.294  178.344   83.572 89.82274 100.2083 
1 1 1   11    6   29 o  292.395  118.701  343.461  211.563   0.0000   0.0000  343.461  211.563  ?   ?   292.395  118.701      ?      ? 
1 1 1   11    6   30 o  228.507  100.724  172.537  175.031   0.0000   0.0000  172.537  175.031  ?   ?   228.507  100.724      ?      ? 
1 1 1   11    6   31 o  273.973   57.384  226.127   58.419  226.368   61.425  223.848  189.063  315.801   49.843  232.145  103.379 83.65544 114.7673 
1 1 1   11    6   32 o  233.676   52.472  140.001   36.984  138.921   37.741  166.115  185.559  254.368   38.020  212.984   97.815 41.38490 104.9442 
1 1 1   11    6   33 o  279.177  117.280  448.379  216.358   0.0000   0.0000  448.379  216.358  ?   ?   279.177  117.280      ?      ? 
1 1 1   11    6   34 o  321.082   59.595  320.022   62.934  311.010   67.253  383.503  178.496  369.111   46.690  273.054  109.665 96.05719 119.1908 
1 1 1   11    7    0 o  364.723   22.748  262.727   32.295  290.390   46.950  237.883   44.494  383.021   31.411  346.426   32.912 36.59497 45.49608 
1 1 1   11    7    1 o  303.442   42.448  211.456   35.834  220.705   39.090  162.776   89.677  334.142   29.978  272.741   79.426 61.40042 84.89519 
1 1 1   11    7    2 o  420.851   48.712  400.079   52.700  411.127   57.123  336.911  136.585  455.658   32.125  386.043   91.974 69.61505 97.42315 
1 1 1   11    7    3 o  541.805   56.210  634.797   73.656  637.172   78.759  618.232  208.027  566.474   35.628  517.137  106.625 49.33685 112.4194 
1 1 1   11    7    4 o  516.557   52.192  594.536   68.669  607.558   74.415  519.844  178.218  553.619   34.444  479.495   98.538 74.12347 104.3845 
1 1 1   11    7    5 o  250.430   36.281  124.450   35.457  124.450   35.457   0.0000   0.0000  250.430   36.281  ?   ?       ?      ? 
1 1 1   11    7    6 o  357.083   44.180  215.889   44.188  195.187   47.546  347.124  119.710  313.378   38.879  400.789   79.346 -87.41144 88.35961 
1 1 1   11    7    7 o  851.747  164.581  1882.98  527.246   0.0000   0.0000  1882.98  527.246  ?   ?   851.747  164.581      ?      ? 
1 1 1   11    7    8 o  457.665   65.707  451.259  115.280  345.559  156.375  577.088  170.616  391.588  101.495  523.742   83.478 -132.1541 131.4149 
1 1 1   11    7    9 o  739.404   73.010  1163.01  197.441  1115.29  239.372  1264.58  349.214  728.905   84.153  749.903  119.331 -20.99762 146.0197 
1 1 1   11    7   10 o  295.859   49.423  189.927   54.189  201.206   66.552  167.740   93.346  311.573   56.829  280.144   80.877 31.42899 98.84682 
1 1 1   11    7   11 o  384.983   52.452  307.229   72.340  301.505   87.799  319.329  127.651  386.567   58.202  383.398   87.277 3.169037 104.9034 
1 1 1   11    7   12 o  581.767   66.137  689.238  150.150  689.238  150.150   0.0000   0.0000  581.767   66.137  ?   ?       ?      ? 
1 1 1   11    7   13 o  658.475   73.331  892.153  188.434  892.153  188.434   0.0000   0.0000  658.475   73.331  ?   ?       ?      ? 
1 1 1   11    7   14 o  391.500   52.420  307.726   80.087  307.726   80.087   0.0000   0.0000  391.500   52.420  ?   ?       ?      ? 
1 1 1   11    7   15 o  162.910   57.633   47.674   45.777   47.674   45.777   0.0000   0.0000  162.910   57.633  ?   ?       ?      ? 
1 1 1   11    7   16 o  816.337  156.588  1690.55  480.693  1690.55  480.693   0.0000   0.0000  816.337  156.588  ?   ?       ?      ? 
1 1 1   11    7   17 o  280.297   82.267  170.114   95.873  170.114   95.873   0.0000   0.0000  280.297   82.267  ?   ?       ?      ? 
1 1 1   11    7   18 o  532.951  115.509  664.495  233.300  664.495  233.300   0.0000   0.0000  532.951  115.509  ?   ?       ?      ? 
1 1 1   11    7   19 o  390.308   47.666  407.085   52.402  465.492   59.109  192.627  113.264  485.255   31.214  295.361   90.078 189.8936 95.33247 
1 1 1   11    7   20 o  633.308   65.486  923.154   77.911  930.591   81.095  833.987  280.806  685.940   30.295  580.676  127.419 105.2636 130.9711 
1 1 1   11    7   21 o  432.749   53.025  472.710   51.978  493.115   55.334  319.629  151.561  499.270   28.400  366.229  102.176 133.0408 106.0496 
1 1 1   11    7   22 o  355.171   48.923  318.547   41.472  332.115   44.088  214.296  122.212  409.376   27.597  300.966   93.873 108.4104 97.84546 
1 1 1   11    7   23 o  783.127   32.745  1228.13  100.070  1228.13  100.070   0.0000   0.0000  783.127   32.745  ?   ?       ?      ? 
1 1 1   11    7   24 o  394.242   54.006  408.091   46.601  420.209   48.999  293.313  150.801  459.043   27.353  329.442  104.490 129.6014 108.0112 
1 1 1   11    7   25 o  572.213   29.246  657.789   65.307  657.789   65.307   0.0000   0.0000  572.213   29.246  ?   ?       ?      ? 
1 1 1   11    7   26 o  261.230   95.063  186.022  125.534   0.0000   0.0000  186.022  125.534  ?   ?   261.230   95.063      ?      ? 
1 1 1   11    7   27 o  302.533   29.771  185.126   35.148  185.126   35.148   0.0000   0.0000  302.533   29.771  ?   ?       ?      ? 
1 1 1   11    7   28 o  270.805   53.429  177.570   39.810  177.343   41.263  180.626  151.369  293.029   36.084  248.580  100.582 44.44940 106.8588 
1 1 1   11    7   29 o  250.002   49.501  178.925   41.819  187.710   43.270   54.499  162.844  299.789   36.986  200.215   91.833 99.57396 99.00187 
1 1 1   11    7   30 o  188.887   44.448   93.880   32.112  101.361   32.810 -76.4415  156.552  214.740   40.641  163.035   79.062 51.70586 88.89629 
1 1 1   11    7   31 o  260.768   56.369  219.847   63.239  230.433   68.711  161.208  161.715  306.492   59.594  215.045   95.698 91.44659 112.7371 
1 1 1   11    7   32 o  270.143   55.432  238.560   63.598  249.093   68.334  170.383  173.849  325.943   53.723  214.342   96.976 111.6017 110.8631 
1 1 1   11    7   33 o  213.202   47.863  126.313   37.956  129.461   39.592   90.570  133.415  238.666   44.135  187.739   84.946 50.92708 95.72695 
1 1 1   11    7   34 o  235.994   45.705  129.382   40.571  129.382   40.571   0.0000   0.0000  235.994   45.705  ?   ?       ?      ? 
1 1 1   11    8    0 o  194.220   32.087   87.954   21.563   98.738   24.426   49.870   45.903  223.815   27.966  164.625   57.761 59.18967 64.17474 
1 1 1   11    8    1 o  196.365   32.496   87.421   21.769   95.829   24.602   57.087   46.728  220.450   28.597  172.279   58.362 48.17108 64.99198 
1 1 1   11    8    2 o  327.955   84.256  237.044  108.406   0.0000   0.0000  237.044  108.406  ?   ?   327.955   84.256      ?      ? 
1 1 1   11    8    3 o  397.199   46.035  292.531   46.764  280.196   49.853  382.911  134.947  376.246   33.954  418.152   85.581 -41.90613 92.07034 
1 1 1   11    8    4 o  227.898   34.809  113.030   25.433  118.514   28.597   92.286   55.620  245.125   29.895  210.671   62.873 34.45494 69.61848 
1 1 1   11    8    5 o  326.868   33.186  211.176   42.332  211.176   42.332   0.0000   0.0000  326.868   33.186  ?   ?       ?      ? 
1 1 1   11    8    6 o  519.740   69.663  584.026  137.367  453.263  183.943  748.904  206.548  446.155  107.023  593.325   89.206 -147.1700 139.3261 
1 1 1   11    8    7 o  508.524   72.810  575.016  139.453  498.030  191.471  661.990  203.512  469.100  106.967  547.948   98.809 -78.84787 145.6201 
1 1 1   11    8    8 o  140.093   34.614   35.291   22.865   36.821   28.848   32.707   37.498  138.815   45.838  141.370   51.878 -2.555588 69.22726 
1 1 1   11    8    9 o  393.582   53.738  319.238   76.368  306.962   93.102  344.482  133.510  389.248   61.292  397.916   88.287 -8.668091 107.4767 
1 1 1   11    8   10 o  225.553   45.257  107.767   40.612  115.331   49.532   92.253   70.938  235.069   54.976  216.038   71.905 19.03070 90.51382 
1 1 1   11    8   11 o  400.641   54.036  328.052   77.457  312.061   93.519  362.990  138.229  392.679   61.028  408.603   89.193 -15.92383 108.0730 
1 1 1   11    8   12 f  116.483   33.256   17.067   18.628   22.177   19.904 -18.9898   52.872  110.745   38.081  122.221   54.530 -11.47501 66.51113 
1 1 1   11    8   13 o  160.481   48.191   52.066   32.602   52.066   32.602   0.0000   0.0000  160.481   48.191  ?   ?       ?      ? 
1 1 1   11    8   14 o  743.983   80.675  1271.49  212.538  1346.84  265.131  1135.99  355.523  799.613   84.967  688.354  137.166 111.2593 161.3503 
1 1 1   11    8   15 o  366.715   54.823  286.698   72.026  289.004   86.585  281.519  129.779  377.385   58.793  356.045   92.550 21.33981 109.6454 
1 1 1   11    8   16 o  410.239   61.118  343.214   97.845  343.214   97.845   0.0000   0.0000  410.239   61.118  ?   ?       ?      ? 
1 1 1   11    8   17 o  378.416   53.034  298.090   71.947  287.251   86.938  321.645  128.163  375.477   59.333  381.354   87.920 -5.877655 106.0672 
1 1 1   11    8   18 o  153.314   40.666   36.649   31.480   35.056   38.488   39.868   54.715  144.185   52.612  162.443   62.023 -18.25792 81.33140 
1 1 1   11    8   19 o  404.504   58.539  345.456   85.838  309.904  105.587  414.746  147.406  378.676   74.105  430.331   90.640 -51.65466 117.0771 
1 1 1   11    8   20 o  200.696   36.662   97.392   23.813  105.979   25.450   36.995   67.497  231.582   28.161  169.811   67.699 61.77151 73.32306 
1 1 1   11    8   21 o  264.304   41.131  190.202   31.967  209.194   34.450   72.525   85.753  325.173   27.148  203.435   77.653 121.7385 82.26180 
1 1 1   11    8   22 o  428.287   29.166  364.783   48.746  364.783   48.746   0.0000   0.0000  428.287   29.166  ?   ?       ?      ? 
1 1 1   11    8   23 f  641.703   30.351  823.424   76.004  823.424   76.004   0.0000   0.0000  641.703   30.351  ?   ?       ?      ? 
1 1 1   11    8   24 o  285.062   45.113  177.881   58.155  338.794   85.186   37.425   79.587  397.957   54.853  172.167   71.638 225.7891 90.22674 
1 1 1   11    8   25 o  450.507   62.619  569.573   93.726  635.992  109.925  392.709  179.378  544.775   51.707  356.239  114.065 188.5363 125.2372 
1 1 1   11    8   26 o  223.089   44.306  126.332   31.198  132.769   32.477   49.415  112.268  255.469   32.577  190.709   82.408 64.75992 88.61300 
1 1 1   11    8   27 o  196.304   37.171   81.799   27.432   81.799   27.432   0.0000   0.0000  196.304   37.171  ?   ?       ?      ? 
1 1 1   11    8   28 o  244.488   46.337  166.092   32.404  172.554   33.355   57.636  136.651  291.515   29.320  197.460   87.914 94.05460 92.67480 
1 1 1   11    8   29 o  258.990   48.835  196.636   36.476  202.779   37.429   80.552  162.705  314.373   30.509  203.606   92.782 110.7672 97.66969 
1 1 1   11    8   30 o  212.244   58.103  118.583   56.338  114.901   59.964  146.299  164.509  210.417   65.776  214.072   95.800 -3.654190 116.2068 
1 1 1   11    8   31 o  244.559   48.831  181.173   39.924  186.736   40.920   71.019  182.077  296.878   35.320  192.240   91.051 104.6373 97.66150 
1 1 1   11    8   32 o  265.699   54.885  251.357   71.267  285.036   78.481   93.019  170.168  337.404   61.886  193.995   90.663 143.4092 109.7705 
1 1 1   11    8   33 o  199.090   52.225   86.656   35.111   80.528   36.322  174.039  137.160  183.334   49.576  214.846   91.934 -31.51154 104.4497 
1 1 1   11    9    0 o  223.127   36.153  112.014   26.501  120.419   29.688   79.049   58.794  247.060   30.793  199.195   65.422 47.86481 72.30630 
1 1 1   11    9    1 o  903.009   83.277  1801.70  164.291  1792.11  173.295  1886.83  516.409  946.305   46.927  859.714  159.807 86.59100 166.5546 
1 1 1   11    9    2 o  566.713  113.105  735.377  241.373   0.0000   0.0000  735.377  241.373  ?   ?   566.713  113.105      ?      ? 
1 1 1   11    9    3 o  576.355   58.344  674.488   79.089  665.710   83.832  745.531  238.495  579.603   37.064  573.107  110.645 6.496094 116.6876 
1 1 1   11    9    4 o  173.521   40.823   57.485   32.700   44.048   45.804   71.452   46.699  159.445   57.514  187.598   57.949 -28.15242 81.64515 
1 1 1   11    9    5 o  742.940  139.240  1323.09  388.858  1323.09  388.858   0.0000   0.0000  742.940  139.240  ?   ?       ?      ? 
1 1 1   11    9    6 o  816.466  102.759  1592.71  319.521  1417.54  436.159  1795.62  469.413  757.185  152.875  875.746  137.355 -118.5601 205.5173 
1 1 1   11    9    7 o  981.627  124.697  2451.92  464.206  2068.68  619.145  2943.93  701.519  878.572  186.361  1084.68  165.732 -206.1101 249.3937 
1 1 1   11    9    8 o  814.578  102.026  1571.76  316.993  1436.22  436.113  1723.58  461.560  767.684  150.954  861.473  137.295 -93.78845 204.0518 
1 1 1   11    9    9 o  847.013   74.467  1360.76  221.102  1139.24  254.258  2047.88  447.792  735.856   88.542  958.171  119.757 -222.3148 148.9345 
1 1 1   11    9   10 o  773.334   72.515  1195.78  201.951  1057.47  238.061  1550.81  381.410  710.449   85.866  836.219  116.880 -125.7701 145.0308 
1 1 1   11    9   11 f  635.756   68.437  858.545  154.679  833.977  187.863  910.260  272.556  635.485   75.754  636.026  113.999 -0.5410767 136.8738 
1 1 1   11    9   12 o  360.552   49.970  274.309   63.058  278.528   75.303  264.408  115.362  372.600   51.789  348.504   85.475 24.09515 99.94059 
1 1 1   11    9   13 o  144.725   52.865   34.839   38.875   34.839   38.875   0.0000   0.0000  144.725   52.865  ?   ?       ?      ? 
1 1 1   11    9   14 o  878.946   86.593  1748.89  277.397  1716.60  338.216  1815.24  484.870  890.574   97.318  867.318  143.257 23.25555 173.1855 
1 1 1   11    9   15 o  433.853   59.849  426.054   91.883  465.412  112.237  346.076  159.995  478.095   60.157  389.610  103.483 88.48471 119.6984 
1 1 1   11    9   16 o  396.078   58.377  354.898   82.904  386.302  100.683  288.771  146.103  435.512   59.241  356.644  100.609 78.86783 116.7549 
1 1 1   11    9   17 o  466.309   59.769  468.010   98.660  464.880  119.520  474.707  174.792  475.468   64.415  457.150  100.699 18.31805 119.5388 
1 1 1   11    9   18 o  789.139   78.219  1369.42  224.168  1278.82  269.116  1574.75  405.145  767.630   89.837  810.648  128.070 -43.01794 156.4372 
1 1 1   11    9   19 o  656.923   76.559  1016.36  179.245  1061.92  223.745  934.740  299.482  702.461   81.621  611.384  129.549 91.07703 153.1176 
1 1 1   11    9   20 o  166.189   46.368   37.723   44.254   45.473   65.373   31.167   60.125  173.298   67.364  159.080   63.733 14.21797 92.73540 
1 1 1   11    9   21 f  319.355   65.642  218.851   83.312  337.762  147.253  162.868  101.037  371.798   99.521  266.913   85.622 104.8857 131.2839 
1 1 1   11    9   22 o  144.478   45.355   2.2100   36.704   9.5033   98.027   1.0208   39.584  174.743   76.244  114.213   49.143 60.53036 90.70924 
1 1 1   11    9   23 o  260.210   70.964  140.196   80.193  219.252  210.143  126.721   86.758  286.669  117.558  233.752   79.522 52.91765 141.9285 
1 1 1   11    9   24 o  264.490   43.267  197.209   36.004  216.062   38.728   77.135   97.738  327.576   30.296  201.405   81.058 126.1710 86.53419 
1 1 1   11    9   25 o  101.803   32.445   8.9941   10.470   10.036   10.594 -34.4854   68.441   76.649   27.658  126.957   58.700 -50.30833 64.88992 
1 1 1   11    9   26 o  189.126   39.208   90.794   26.068   98.865   27.048 -14.5320   97.711  220.654   31.412  157.598   71.849 63.05592 78.41572 
1 1 1   11    9   28 o  291.831   54.918  266.900   73.323  316.237   83.123   93.894  155.655  372.956   57.112  210.705   93.819 162.2511 109.8351 
1 1 1   11    9   29 o  148.625   42.752   35.566   21.270   35.778   21.727   30.693  104.300  128.535   39.497  168.714   75.834 -40.17876 85.50307 
1 1 1   11    9   30 o  291.862   49.249  273.712   62.418  334.174   73.148  111.772  119.712  384.491   48.751  199.232   85.587 185.2587 98.49807 
1 1 1   11    9   31 o  355.596   54.135  468.340   79.081  544.402   89.011  183.358  172.293  492.758   46.289  218.434   97.876 274.3233 108.2696 
1 1 1   11    9   32 o  577.928   32.361  701.135   72.984  701.135   72.984   0.0000   0.0000  577.928   32.361  ?   ?       ?      ? 
1 1 1   11    9   33 o  239.175   45.301  132.020   40.734  132.020   40.734   0.0000   0.0000  239.175   45.301  ?   ?       ?      ? 
1 1 1   11   10    0 o  606.912   36.737  729.113   87.009  729.113   87.009   0.0000   0.0000  606.912   36.737  ?   ?       ?      ? 
1 1 1   11   10    1 o  712.581   65.888  1197.06  119.793  1248.99  130.901  929.417  297.152  792.517   42.326  632.646  124.795 159.8705 131.7768 
1 1 1   11   10    2 o  447.984   97.665  444.467  165.924   0.0000   0.0000  444.467  165.924  ?   ?   447.984   97.665      ?      ? 
1 1 1   11   10    3 o  467.353   69.602  481.762  122.966  425.133  169.966  543.955  178.121  436.171  101.724  498.534   95.025 -62.36334 139.2034 
1 1 1   11   10    4 o  492.698   72.397  539.171  134.654  508.119  188.260  571.697  192.675  476.856  104.089  508.539  100.651 -31.68277 144.7934 
1 1 1   11   10    5 o  462.243   99.062  472.203  173.321  472.203  173.321   0.0000   0.0000  462.243   99.062  ?   ?       ?      ? 
1 1 1   11   10    6 o  204.120   46.224   83.611   41.688   88.097   58.892   79.106   59.020  208.253   65.199  199.988   65.541 8.265671 92.44741 
1 1 1   11   10    7 o  458.052   57.912  433.228   95.690  412.756  116.931  474.737  166.499  450.079   66.575  466.025   94.780 -15.94577 115.8247 
1 1 1   11   10    8 o  655.925   67.667  892.940  162.570  849.317  196.811  986.629  288.426  640.216   78.776  671.635  110.045 -31.41962 135.3345 
1 1 1   11   10    9 o  602.764   60.775  706.923  133.065  620.674  157.751  919.650  247.745  549.220   73.603  656.307   96.731 -107.0867 121.5495 
1 1 1   11   10   10 o  275.039   48.870  155.835   49.659  147.857   59.948  173.280   88.647  265.599   59.335  284.479   77.669 -18.87973 97.74023 
1 1 1   11   10   11 o  138.538   38.010   26.144   28.028   29.263   33.752   19.216   50.302  134.104   49.218  142.971   57.936 -8.867920 76.01939 
1 1 1   11   10   12 o  322.921   62.893  229.891   81.676  242.751  108.563  213.120  123.980  333.786   83.543  312.057   94.037 21.72870 125.7867 
1 1 1   11   10   13 o  615.413  120.020  879.304  277.885  879.304  277.885   0.0000   0.0000  615.413  120.020  ?   ?       ?      ? 
1 1 1   11   10   14 o  450.400   71.236  456.796  126.508  598.709  179.610  317.076  178.216  530.394   86.776  370.405  112.997 159.9893 142.4727 
1 1 1   11   10   15 o  619.983   83.008  872.143  194.439  1194.51  294.152  621.980  259.123  735.740  102.451  504.226  130.633 231.5143 166.0157 
1 1 1   11   10   16 o  403.501   69.683  369.086  108.382  364.289  146.022  374.969  161.730  402.531   94.564  404.471  102.373 -1.940674 139.3650 
1 1 1   11   10   17 o  145.481   42.025   20.089   37.430   39.956   43.282 -38.8447   74.544  152.939   55.794  138.023   62.860 14.91566 84.04963 
1 1 1   11   10   18 o  167.364   45.772   23.499   39.610   0.4828   46.340   85.924   76.316  124.266   53.313  210.462   74.419 -86.19687 91.54436 
1 1 1   11   10   19 o  518.385   67.838  623.736  126.177  648.151  156.449  578.303  213.416  551.759   72.659  485.010  114.580 66.74890 135.6757 
1 1 1   11   10   20 o  417.691   70.246  400.335  114.370  597.521  180.745  268.662  147.699  504.245   95.346  331.137  103.185 173.1082 140.4918 
1 1 1   11   10   21 o  278.944   55.251  178.438   66.483  254.967   94.308  102.831   93.738  335.073   74.091  222.815   81.984 112.2580 110.5029 
1 1 1   11   10   22 o  224.181   61.410   82.889   62.890  167.922  144.558   63.038   69.847  264.171  100.825  184.191   70.136 79.97972 122.8202 
1 1 1   11   10   23 o   88.999   28.407   5.7892   8.3686   6.6476   8.4882 -24.0141   50.013   65.923   24.591  112.076   51.215 -46.15345 56.81305 
1 1 1   11   10   24 o  194.279   38.463   92.350   24.221   98.321   25.394   32.201   80.595  220.917   29.456  167.640   71.062 53.27675 76.92551 
1 1 1   11   10   25 o  308.183   46.666  289.882   40.917  314.171   43.656  114.345  117.362  394.913   28.328  221.452   88.930 173.4604 93.33263 
1 1 1   11   10   26 o  397.141   57.081  467.603   53.100  485.496   55.935  304.399  168.928  489.909   29.258  304.373  110.350 185.5362 114.1630 
1 1 1   11   10   27 o  231.386   44.559  138.290   29.278  142.633   30.297   76.961  113.847  265.018   29.294  197.754   84.166 67.26463 89.11875 
1 1 1   11   10   28 o  144.415   39.714   37.682   18.789   39.503   19.134 -11.3291   99.277  135.134   35.737  153.696   70.935 -18.56209 79.42825 
1 1 1   11   10   29 o  176.316   51.121   70.954   55.011   80.761   65.284   46.937  102.162  180.672   68.040  171.959   76.316 8.712372 102.2427 
1 1 1   11   10   30 o  186.291   39.239   93.631   27.297  100.843   28.334   0.4957  101.822  219.234   33.119  153.349   71.147 65.88486 78.47797 
1 1 1   11   10   31 o  425.498   31.320  377.694   52.005  377.694   52.005   0.0000   0.0000  425.498   31.320  ?   ?       ?      ? 
1 1 1   11   10   32 f  390.801   32.688  321.833   49.852  321.833   49.852   0.0000   0.0000  390.801   32.688  ?   ?       ?      ? 
1 1 1   11   11    0 o  385.684   47.739  310.723   50.748  311.754   55.335  305.265  127.297  397.169   35.702  374.199   88.552 22.96985 95.47836 
1 1 1   11   11    1 o  131.755   33.808   27.617   22.722   38.879   33.025   17.493   31.312  144.456   49.064  119.054   46.526 25.40141 67.61584 
1 1 1   11   11    3 o  783.254  144.300  1467.08  424.811  1467.08  424.811   0.0000   0.0000  783.254  144.300  ?   ?       ?      ? 
1 1 1   11   11    4 o  171.049   58.593   54.805   47.103   54.805   47.103   0.0000   0.0000  171.049   58.593  ?   ?       ?      ? 
1 1 1   11   11    5 o  956.409  181.237  2387.62  651.671  2387.62  651.671   0.0000   0.0000  956.409  181.237  ?   ?       ?      ? 
1 1 1   11   11    6 o  1203.90  122.096  3456.31  523.695  3142.68  618.855  4247.44  982.889  1165.83  136.026  1241.97  202.797 -76.13757 244.1919 
1 1 1   11   11    7 o  653.267   77.923  883.658  198.649  883.658  198.649   0.0000   0.0000  653.267   77.923  ?   ?       ?      ? 
1 1 1   11   11    8 o  523.891   60.721  559.738  113.917  516.901  137.557  653.243  203.233  502.173   70.194  545.609   99.101 -43.43558 121.4423 
1 1 1   11   11    9 o  502.464   56.168  495.815  103.439  444.077  123.917  614.710  187.850  465.808   68.170  539.119   89.288 -73.31113 112.3368 
1 1 1   11   11   10 f  270.023   49.119  149.304   49.026  139.827   58.765  171.003   88.920  257.884   59.590  282.161   78.100 -24.27698 98.23725 
1 1 1   11   11   11 f  257.647   50.193  149.340   51.735  172.128   61.912   96.604   94.184  287.099   57.268  228.196   82.448 58.90216 100.3861 
1 1 1   11   11   12 o  155.895   43.837   24.408   24.842   21.624   25.994   53.741   84.369  116.787   43.138  195.002   76.326 -78.21424 87.67303 
1 1 1   11   11   13 o  912.593   97.226  1811.63  346.252  1811.63  346.252   0.0000   0.0000  912.593   97.226  ?   ?       ?      ? 
1 1 1   11   11   14 o  230.554   53.917  110.136   49.222  119.223   53.665   61.978  123.544  237.638   58.306  223.469   90.712 14.16866 107.8345 
1 1 1   11   11   15 o  197.960   50.686   74.189   44.424   85.873   48.313   10.265  113.007  202.725   58.086  193.196   83.080 9.529175 101.3718 
1 1 1   11   11   16 o  1020.64  116.131  2410.09  462.543  2410.09  462.543   0.0000   0.0000  1020.64  116.131  ?   ?       ?      ? 
1 1 1   11   11   17 o  254.666   53.907  147.476   56.537  167.062   65.506   90.287  111.935  279.814   61.654  229.518   88.445 50.29630 107.8131 
1 1 1   11   11   18 o  476.353   67.127  525.958  113.888  543.081  138.404  490.050  200.425  506.896   69.968  445.810  114.580 61.08575 134.2538 
1 1 1   11   11   19 o  368.071  105.444  334.587  159.220  334.587  159.220   0.0000   0.0000  368.071  105.444  ?   ?       ?      ? 
1 1 1   11   11   20 o  173.938   46.388   25.338   47.389 -33.0527   61.575  110.174   74.220  123.626   56.618  224.250   73.498 -100.6246 92.77662 
1 1 1   11   11   21 o  182.089   51.131   48.578   55.393   17.422   76.594   82.739   80.204  161.308   68.854  202.871   75.608 -41.56290 102.2616 
1 1 1   11   11   22 o  154.506   47.346  -2.1314   48.827   56.105   89.586 -26.7414   58.236  188.203   76.919  120.809   55.229 67.39425 94.69260 
1 1 1   11   11   23 o  203.949   57.281   82.496   65.916   97.169  110.421   74.373   82.162  214.793   86.258  193.105   75.393 21.68784 114.5630 
1 1 1   11   11   24 o  217.285   41.161  119.758   28.577  126.887   30.146   56.573   89.748  250.324   30.860  184.246   76.319 66.07806 82.32208 
1 1 1   11   11   25 o  404.470   59.675  475.436   87.585  560.864  105.520  286.218  157.042  506.816   53.352  302.124  106.762 204.6918 119.3506 
1 1 1   11   11   26 o  147.683   37.717   42.971   18.563   45.500   19.043  -5.3068   83.197  146.188   34.019  149.178   67.327 -2.989960 75.43360 
1 1 1   11   11   27 o  143.132   38.791   33.805   16.846   34.061   17.219   28.087   81.382  126.178   34.141  160.086   69.667 -33.90823 77.58291 
1 1 1   11   11   28 o  305.469   51.189  280.254   41.247  287.285   42.949  196.788  147.977  374.015   29.426  236.922   98.057 137.0933 102.3771 
1 1 1   11   11   29 o  390.067   53.421  353.700   81.317  353.700   81.317   0.0000   0.0000  390.067   53.421  ?   ?       ?      ? 
1 1 1   11   11   30 o  447.302   30.810  416.196   53.780  416.196   53.780   0.0000   0.0000  447.302   30.810  ?   ?       ?      ? 
1 1 1   11   11   31 o  210.609   39.264  143.406   32.007  156.473   32.846 -102.7632  142.565  273.970   30.722  147.249   72.270 126.7206 78.52882 
1 1 1   11   11   32 o  163.729   39.028   72.023   25.969   79.644   26.361 -178.5738  151.163  189.730   36.932  137.727   68.765 52.00362 78.05565 
1 1 1   11   12    0 o  331.568   59.585  238.058   77.326  223.846  108.959  252.479  109.757  321.393   85.414  341.743   83.103 -20.35022 119.1706 
1 1 1   11   12    1 o  783.631   98.336  1437.20  294.147  1332.20  406.973  1552.05  425.625  744.803  145.238  822.460  132.611 -77.65692 196.6720 
1 1 1   11   12    2 o  667.682  125.407  1025.68  314.757   0.0000   0.0000  1025.68  314.757  ?   ?   667.682  125.407      ?      ? 
1 1 1   11   12    3 o  536.730   75.900  642.015  153.375  692.978  220.727  594.435  213.275  559.203  105.003  514.257  109.624 44.94513 151.7997 
1 1 1   11   12    4 o  771.122   97.260  1391.11  286.647  1325.77  399.822  1460.22  411.176  744.684  142.778  797.559  132.109 -52.87476 194.5208 
1 1 1   11   12    5 o  189.996   41.146   72.645   32.882   70.086   42.377   76.517   52.128  185.115   54.797  194.876   61.394 -9.761139 82.29149 
1 1 1   11   12    6 o  745.221   72.446  1131.97  196.312  1017.40  233.833  1405.56  361.332  695.825   86.114  794.616  116.525 -98.79114 144.8918 
1 1 1   11   12    7 o  440.270   58.065  408.557   92.371  402.426  113.547  420.554  158.836  444.138   65.513  436.403   95.886 7.734344 116.1291 
1 1 1   11   12    8 o  265.578   50.894  145.024   51.899  132.891   63.724  168.927   89.442  250.651   64.706  280.506   78.574 -29.85500 101.7878 
1 1 1   11   12    9 o  153.783   41.891   28.012   33.755   15.841   40.936   53.864   59.661  129.474   52.335  178.092   65.424 -48.61804 83.78165 
1 1 1   11   12   10 o  183.389   43.480   67.806   36.927   84.532   43.155   22.078   71.356  201.273   53.877  165.506   68.260 35.76779 86.96060 
1 1 1   11   12   11 o  210.151   48.094   93.581   44.140  110.305   50.616   40.484   90.191  228.997   56.893  191.305   77.558 37.69133 96.18778 
1 1 1   11   12   12 o  491.873   66.686  542.635  112.349  559.030  133.131  502.069  209.409  521.701   65.392  462.044  116.241 59.65631 133.3720 
1 1 1   11   12   13 o  469.051   69.141  500.661  108.808  513.977  125.722  460.920  217.192  500.280   64.397  437.823  122.372 62.45703 138.2824 
1 1 1   11   12   14 o  376.923   67.791  282.298   94.840  209.191  113.046  456.048  174.276  307.201   89.094  446.645  102.200 -139.4437 135.5824 
1 1 1   11   12   15 o  1073.96  116.919  2679.66  490.011  2679.66  490.011   0.0000   0.0000  1073.96  116.919  ?   ?       ?      ? 
1 1 1   11   12   16 o  326.867   60.980  232.779   70.033  228.906   79.502  246.195  147.966  327.475   64.506  326.259  103.506 1.215820 121.9610 
1 1 1   11   12   17 o  189.604   52.191   57.543   44.695   61.856   48.318   31.974  117.648  176.616   59.349  202.592   85.867 -25.97627 104.3811 
1 1 1   11   12   18 o  628.106  142.680  1096.37  341.765  1096.37  341.765   0.0000   0.0000  628.106  142.680  ?   ?       ?      ? 
1 1 1   11   12   19 o  545.977   75.917  658.631  161.751  658.631  161.751   0.0000   0.0000  545.977   75.917  ?   ?       ?      ? 
1 1 1   11   12   20 o  242.490   56.587  138.711   65.106  173.181   81.537   78.071  108.147  273.263   74.441  211.717   85.245 61.54611 113.1731 
1 1 1   11   12   21 o  440.200   72.852  520.513  121.736  543.433  157.096  486.061  192.600  469.728   88.958  410.672  115.397 59.05573 145.7049 
1 1 1   11   12   22 f  464.887   82.760  578.594  151.773  1027.92  263.252  354.886  185.751  593.680  117.786  336.094  116.290 257.5868 165.5204 
1 1 1   11   12   23 o  148.635   47.730  -9.9662   53.307  -0.7522  104.267 -13.2268   62.026  167.740   75.569  129.531   58.326 38.20901 95.45989 
1 1 1   11   12   24 o  281.758   54.898  210.608   70.793  303.819   94.450   91.106  106.943  356.477   70.393  207.039   84.263 149.4379 109.7968 
1 1 1   11   12   25 o  247.208   44.947  157.521   30.808  162.337   32.153  103.508  107.672  283.184   29.095  211.233   85.055 71.95183 89.89336 
1 1 1   11   12   26 o  217.627   33.135   97.448   28.141   97.448   28.141   0.0000   0.0000  217.627   33.135  ?   ?       ?      ? 
1 1 1   11   12   27 o  164.420   35.398   58.398   22.041   58.398   22.041   0.0000   0.0000  164.420   35.398  ?   ?       ?      ? 
1 1 1   11   12   28 f  153.386   35.125   51.291   20.572   51.291   20.572   0.0000   0.0000  153.386   35.125  ?   ?       ?      ? 
1 1 1   11   12   29 o  231.131   41.323  170.444   33.142  182.846   34.409   11.403  123.221  297.219   29.667  165.043   77.138 132.1765 82.64601 
1 1 1   11   12   30 o  161.303   75.501   7.0009  118.793   0.0000   0.0000   7.0009  118.793  ?   ?   161.303   75.501      ?      ? 
1 1 1   11   12   31 f  151.772   40.219   53.090   23.053   58.015   23.292 -183.1507  161.317  161.217   37.696  142.327   71.058 18.89063 80.43775 
1 1 1   11   13    0 o  257.980   52.555  140.498   56.097  121.215   78.776  160.337   79.904  241.734   75.362  274.226   73.271 -32.49162 105.1096 
1 1 1   11   13    1 o  486.357   72.070  525.553  132.413  492.559  185.103  560.132  189.496  469.278  103.827  503.436   99.980 -34.15802 144.1391 
1 1 1   11   13    2 o  262.991   51.165  145.170   55.018  184.456   79.868  109.690   75.900  294.337   70.468  231.644   74.200 62.69305 102.3299 
1 1 1   11   13    3 o  426.136   67.070  400.045  108.732  367.653  151.633  434.331  156.001  407.074   96.858  445.199   92.801 -38.12515 134.1396 
1 1 1   11   13    4 f  258.258   52.945  141.409   56.462  138.724   79.374  144.160   80.333  255.981   74.776  260.536   74.974 -4.555099 105.8892 
1 1 1   11   13    5 o  339.172   65.242  258.569   94.220  143.878  139.876  353.830  127.479  273.878  100.243  404.465   83.531 -130.5870 130.4839 
1 1 1   11   13    6 o  502.013   60.602  544.283  109.336  557.858  135.791  519.259  184.368  521.921   66.671  482.105  101.220 39.81555 121.2042 
1 1 1   11   13    7 o  216.337   46.505   92.893   41.269   81.783   51.133  113.653   69.897  199.488   60.453  233.186   70.684 -33.69781 93.00952 
1 1 1   11   13    8 f  571.147   66.388  693.927  134.976  665.269  163.634  754.939  238.756  566.069   74.075  576.225  110.193 -10.15637 132.7764 
1 1 1   11   13    9 o  521.308   65.438  596.044  121.432  605.357  148.871  577.528  209.910  541.149   70.496  501.467  110.266 39.68158 130.8751 
1 1 1   11   13   10 f  519.125   65.342  583.349  119.534  575.579  144.294  600.347  213.404  527.475   70.100  510.775  110.291 16.69998 130.6832 
1 1 1   11   13   11 o  342.991   58.710  268.780   74.793  293.800   88.358  205.543  140.473  379.659   59.638  306.324  101.148 73.33524 117.4209 
1 1 1   11   13   12 o  312.360   60.137  226.503   70.053  246.927   78.020  141.546  159.121  348.423   57.381  276.297  105.704 72.12646 120.2741 
1 1 1   11   13   13 o  356.014   64.906  294.931   79.481  309.617   87.785  228.145  187.206  389.707   57.723  322.320  116.272 67.38776 129.8124 
1 1 1   11   13   14 o  240.090   60.013   90.501   46.848   83.579   49.200  157.752  153.354  199.981   59.001  280.200  104.524 -80.21843 120.0268 
1 1 1   11   13   15 o  302.110   67.685  159.798   77.109  116.634   86.644  324.169  169.078  236.387   79.475  367.833  109.585 -131.4466 135.3699 
1 1 1   11   13   16 o  758.546   89.087  1279.54  263.711  1279.54  263.711   0.0000   0.0000  758.546   89.087  ?   ?       ?      ? 
1 1 1   11   13   17 o  277.326   63.210  172.380   69.039  175.164   76.798  160.652  157.618  280.796   70.258  273.855  105.100 6.941437 126.4203 
1 1 1   11   13   18 o  443.885   84.233  525.334  148.259  484.306  198.293  577.343  223.260  426.974  115.994  460.796  122.172 -33.82211 168.4656 
1 1 1   11   13   19 o  297.613   62.860  226.117   78.475  249.604   92.856  167.414  146.800  329.224   74.067  266.003  101.585 63.22079 125.7199 
1 1 1   11   13   20 o  223.597   57.733  114.488   66.544  138.744   78.799   54.192  124.240  242.654   75.328  204.540   87.510 38.11469 115.4657 
1 1 1   11   13   21 o  413.372   89.909  559.729  158.721  587.115  235.497  536.933  214.851  417.453  130.327  409.291  123.893 8.162720 179.8183 
1 1 1   11   13   22 f  218.869   65.780   94.561   98.275   62.720  157.037  115.059  125.997  212.956   94.559  224.781   91.470 -11.82480 131.5603 
1 1 1   11   13   23 o  301.353  117.843  315.357  200.974  315.357  200.974   0.0000   0.0000  301.353  117.843  ?   ?       ?      ? 
1 1 1   11   13   24 o  288.972   99.411  250.089  135.648  250.089  135.648   0.0000   0.0000  288.972   99.411  ?   ?       ?      ? 
1 1 1   11   13   25 o  186.081   67.459   79.820   63.127   79.820   63.127   0.0000   0.0000  186.081   67.459  ?   ?       ?      ? 
1 1 1   11   13   26 o  227.881   30.646  106.632   27.253  106.632   27.253   0.0000   0.0000  227.881   30.646  ?   ?       ?      ? 
1 1 1   11   13   27 o  174.710   35.417   87.032   25.424   98.770   26.187 -105.7843  106.132  218.542   30.705  130.879   63.834 87.66286 70.83459 
1 1 1   11   13   28 o  150.084   37.742   50.895   20.523   54.667   21.006 -28.3749   96.285  158.261   34.946  141.907   66.907 16.35439 75.48347 
1 1 1   11   13   29 o  106.596   33.424   14.388   14.169   17.331   14.339 -107.6657   92.328   93.781   32.318  119.410   58.516 -25.62921 66.84713 
1 1 1   11   13   30 o  187.578   38.183  104.916   30.625  118.006   31.580 -101.7465  125.482  235.918   34.302  139.238   68.229 96.67953 76.36684 
1 1 1   11   13   31 o  343.849   62.606  100.200   26.430   87.783   26.611  1005.45  227.210  203.147   33.567  484.551  120.628 -281.4039 125.2116 
1 1 1   11   14    0 o  362.095   59.799  283.773   83.736  217.548  114.597  359.638  122.654  315.066   89.182  409.123   79.689 -94.05698 119.5984 
1 1 1   11   14    1 o  533.677   75.729  640.312  152.128  558.820  209.166  731.829  221.658  494.153  111.159  573.201  102.874 -79.04865 151.4575 
1 1 1   11   14    2 o  200.473   65.460   80.260   58.893   0.0000   0.0000   80.260   58.893  ?   ?   200.473   65.460      ?      ? 
1 1 1   11   14    3 o  211.246   67.566   90.677   62.952   0.0000   0.0000   90.677   62.952  ?   ?   211.246   67.566      ?      ? 
1 1 1   11   14    4 o  296.934   62.775  193.654   78.128  169.856  124.470  209.126  100.362  283.911   95.257  309.957   81.785 -26.04553 125.5493 
1 1 1   11   14    5 o  588.481   84.736  805.576  187.784  832.023  273.220  781.898  258.522  596.538  121.493  580.424  118.152 16.11334 169.4715 
1 1 1   11   14    6 o  695.483   95.849  1168.31  250.742  1185.47  358.912  1151.96  350.446  699.826  136.323  691.140  134.775 8.686462 191.6985 
1 1 1   11   14    7 o  246.111   46.207  124.855   43.239  116.912   52.916  140.817   75.009  235.522   57.966  256.700   71.974 -21.17751 92.41357 
1 1 1   11   14    8 o  498.071   62.022  513.197  110.219  471.379  132.547  606.920  198.433  476.795   71.237  519.348  101.548 -42.55289 124.0433 
1 1 1   11   14    9 o  189.715   46.434   70.374   40.513   82.170   47.105   36.855   79.403  198.721   57.477  180.710   72.944 18.01154 92.86734 
1 1 1   11   14   10 o  186.971   47.974   47.835   35.875   37.345   39.316  100.004   87.677  147.277   53.261  226.666   79.807 -79.38857 95.94737 
1 1 1   11   14   11 o  436.017   64.591  391.560  109.902  391.560  109.902   0.0000   0.0000  436.017   64.591  ?   ?       ?      ? 
1 1 1   11   14   12 o  328.539   64.904  222.663   69.416  214.816   75.488  265.644  176.665  318.235   63.014  338.842  113.486 -20.60684 129.8070 
1 1 1   11   14   13 o  527.963   84.769  629.829  163.785  514.090  199.828  866.732  285.892  464.184  111.674  591.742  127.562 -127.5576 169.5374 
1 1 1   11   14   14 o  312.064   88.979  221.714  113.648  221.714  113.648   0.0000   0.0000  312.064   88.979  ?   ?       ?      ? 
1 1 1   11   14   15 o  429.775  105.605  447.995  175.848  447.995  175.848   0.0000   0.0000  429.775  105.605  ?   ?       ?      ? 
1 1 1   11   14   17 f  164.845   69.751   20.402   77.424   20.402   77.424   0.0000   0.0000  164.845   69.751  ?   ?       ?      ? 
1 1 1   11   14   18 o  178.525   75.105   33.840   88.936   33.840   88.936   0.0000   0.0000  178.525   75.105  ?   ?       ?      ? 
1 1 1   11   14   19 o  329.896  107.138  305.146  157.844  305.146  157.844   0.0000   0.0000  329.896  107.138  ?   ?       ?      ? 
1 1 1   11   14   20 o  291.748   83.547  215.227   99.975  215.227   99.975   0.0000   0.0000  291.748   83.547  ?   ?       ?      ? 
1 1 1   11   14   21 o  284.902   67.676  228.337   88.590  239.140  108.804  207.089  152.593  301.206   87.422  268.597  103.332 32.60941 135.3518 
1 1 1   11   14   22 f  175.180   52.915   24.302   68.887   87.866   91.756 -57.8051  104.284  201.595   79.386  148.765   69.985 52.82964 105.8300 
1 1 1   11   14   23 f  221.407   63.944  117.723   87.329  128.408  112.957  101.847  137.684  225.663   88.319  217.151   92.494 8.511673 127.8882 
1 1 1   11   14   24 o  281.009   69.466  242.361  107.535  372.354  146.598   90.936  158.222  348.687  101.554  213.330   94.811 135.3571 138.9325 
1 1 1   11   14   25 o  227.091   63.956  131.893   89.434  245.117  134.756   42.764  119.561  272.346   98.587  181.836   81.501 90.51038 127.9129 
1 1 1   11   14   26 o  199.353   54.395  109.075   62.560  132.682   73.366   46.172  119.758  220.542   73.112  178.163   80.559 42.37846 108.7893 
1 1 1   11   14   27 o  210.949   38.007  143.861   30.523  158.381   31.507 -77.7442  123.088  277.064   29.141  144.834   70.206 132.2293 76.01336 
1 1 1   11   14   28 o  164.546   47.459   52.396   55.409  100.837   65.305 -72.1054  104.695  193.783   68.807  135.307   65.384 58.47597 94.91765 
1 1 1   11   14   29 o  157.008   39.820   55.255   20.778   57.946   21.118 -26.3082  116.268  162.997   34.287  151.020   71.882 11.97775 79.64077 
1 1 1   11   14   30 o  213.889   40.276  150.874   35.991  166.202   37.067 -101.7462  150.477  279.571   33.975  148.208   73.036 131.3622 80.55162 
1 1 1   11   15    0 o  375.055   63.264  310.271   91.517  353.101  132.622  271.337  126.447  400.909   87.248  349.202   91.637 51.70657 126.5289 
1 1 1   11   15    1 o  264.994   54.508  150.571   59.756  153.747   85.045  147.474   83.980  267.532   77.186  262.457   76.985 5.075806 109.0156 
1 1 1   11   15    2 o  513.450   71.892  582.960  141.193  690.152  207.584  490.674  192.611  565.105   94.131  461.795  108.688 103.3105 143.7837 
1 1 1   11   15    3 o  279.948   53.724  166.588   59.442  152.791   77.201  186.677   93.159  266.817   72.330  293.080   79.457 -26.26260 107.4482 
1 1 1   11   15    4 o  521.506   64.717  627.349  121.506  759.278  158.810  441.088  188.699  607.231   67.018  435.781  110.734 171.4491 129.4348 
1 1 1   11   15    5 o  541.476   65.316  624.477  127.304  592.572  155.510  689.293  221.655  532.843   74.787  550.108  107.104 -17.26575 130.6311 
1 1 1   11   15    6 o  490.129   70.434  498.026  134.719  498.026  134.719   0.0000   0.0000  490.129   70.434  ?   ?       ?      ? 
1 1 1   11   15    7 o  186.947   47.615   58.471   41.024   50.063   48.520   79.553   76.826  166.639   59.294  207.255   74.519 -40.61604 95.23035 
1 1 1   11   15    8 o  807.928   93.482  1419.05  294.736  1419.05  294.736   0.0000   0.0000  807.928   93.482  ?   ?       ?      ? 
1 1 1   11   15    9 o  297.729   56.736  185.967   62.383  175.445   73.377  213.404  118.490  286.075   66.919  309.383   91.639 -23.30753 113.4713 
1 1 1   11   15   10 o  628.021   78.036  835.556  191.251  835.556  191.251   0.0000   0.0000  628.021   78.036  ?   ?       ?      ? 
1 1 1   11   15   11 o  198.106   54.138   43.079   39.381   34.366   41.563  119.571  123.144  145.887   54.417  250.325   93.608 -104.4378 108.2761 
1 1 1   11   15   12 o  717.093   84.158  1117.65  235.508  1117.65  235.508   0.0000   0.0000  717.093   84.158  ?   ?       ?      ? 
1 1 1   11   15   13 o  373.324   74.768  262.571   79.886  238.767   84.498  462.927  245.148  331.689   67.575  414.960  133.397 -83.27103 149.5363 
1 1 1   11   15   14 o  595.960   89.134  787.734  187.706  561.570  220.163  1389.67  359.176  465.370  120.338  726.551  131.523 -261.1806 178.2676 
1 1 1   11   15   15 o  293.659   70.752  160.189   66.322  146.546   69.697  290.900  215.728  256.339   68.403  330.980  123.872 -74.64151 141.5037 
1 1 1   11   15   16 o  175.797   57.169 -15.1965   59.483 -21.6806   63.601   30.065  168.037  130.504   58.886  221.090   98.009 -90.58690 114.3388 
1 1 1   11   15   17 o  354.686   72.747  314.586   94.229  299.342  105.831  372.897  206.984  356.809   78.167  352.564  122.713 4.245239 145.4943 
1 1 1   11   15   18 f  449.246   89.609  587.454  164.271  411.153  206.364  892.397  271.404  361.092  122.646  537.400  130.678 -176.3084 179.2173 
1 1 1   11   15   19 o  218.945   59.950  109.567   71.713  131.380   81.007   30.525  154.203  233.249   76.801  204.641   92.074 28.60780 119.8999 
1 1 1   11   15   20 o  303.359   77.596  270.126  124.830  143.325  167.408  428.917  187.339  241.937  102.479  364.781  116.544 -122.8443 155.1921 
1 1 1   11   15   21 o  172.237   52.965   24.717   68.695   68.140   79.694 -100.8198  135.506  185.878   73.733  158.596   76.058 27.28201 105.9310 
1 1 1   11   15   22 o  263.973   72.027  183.604  128.620 -71.6749  198.640  367.900  168.779  191.721   91.981  336.224  110.865 -144.5022 144.0542 
1 1 1   11   15   23 o  182.179   58.119   23.703   84.307   4.5524  105.811   56.998  139.517  166.330   75.419  198.028   88.450 -31.69748 116.2384 
1 1 1   11   15   24 o  188.794   60.411   36.194   92.404 -11.3627  117.064  114.806  150.508  163.954   76.144  213.634   93.809 -49.67982 120.8218 
1 1 1   11   15   25 o  167.559   54.621   15.892   77.862   8.0337   94.183   32.858  138.387  154.969   70.608  180.148   83.356 -25.17883 109.2413 
1 1 1   11   15   26 o  175.232   51.324   66.759   63.544  110.194   73.888 -56.6140  124.528  200.326   72.927  150.139   72.238 50.18755 102.6479 
1 1 1   11   15   27 o  198.001   62.702  111.506  100.158   93.595  144.708  127.977  138.767  192.728   87.699  203.274   89.639 -10.54625 125.4048 
1 1 1   11   15   28 o  233.818   72.163  219.758  118.278  362.818  202.097  145.229  145.869  260.674  111.571  206.961   91.552 53.71271 144.3254 
1 1 1   11   15   29 o  174.821   52.099   45.206   71.758  159.390   96.193 -98.0582  107.748  219.998   82.642  129.643   63.463 90.35492 104.1979 
1 1 1   11   16    0 o  211.415   48.488   89.481   46.124  110.529   67.106   70.633   63.501  229.280   69.204  193.550   67.935 35.72974 96.97613 
1 1 1   11   16    1 o  261.281   54.171  145.858   59.129  168.673   85.143  124.605   82.176  279.047   76.091  243.516   77.123 35.53047 108.3416 
1 1 1   11   16    2 o  245.478   50.294  125.638   50.946  103.653   67.724  154.298   77.323  223.277   69.920  267.679   72.314 -44.40295 100.5888 
1 1 1   11   16    3 o  881.422  107.216  1796.48  345.801  2791.32  597.744  1296.06  423.944  1061.57  144.290  701.276  158.625 360.2924 214.4328 
1 1 1   11   16    4 o  302.828   54.937  206.333   65.997  242.111   85.642  154.019  103.558  337.207   67.438  268.449   86.743 68.75815 109.8735 
1 1 1   11   16    5 o  630.348  126.729  957.543  300.927   0.0000   0.0000  957.543  300.927  ?   ?   630.348  126.729      ?      ? 
1 1 1   11   16    7 o  200.277   47.636   59.284   39.821   36.050   45.665  133.037   81.360  151.260   56.917  249.293   76.403 -98.03368 95.27286 
1 1 1   11   16    8 o  611.469  129.405  924.389  299.156   0.0000   0.0000  924.389  299.156  ?   ?   611.469  129.405      ?      ? 
1 1 1   11   16    9 o  522.185   71.565  573.860  145.833  573.860  145.833   0.0000   0.0000  522.185   71.565  ?   ?       ?      ? 
1 1 1   11   16   10 o  675.567   82.973  991.055  218.745  991.055  218.745   0.0000   0.0000  675.567   82.973  ?   ?       ?      ? 
1 1 1   11   16   11 o  265.059   62.274  157.798   65.964  170.415   71.162   80.771  175.822  279.714   66.219  250.404  105.486 29.30995 124.5485 
1 1 1   11   16   12 o  245.454   63.967  124.143   62.249  134.796   64.882   0.8030  220.766  247.997   65.913  242.911  109.648 5.085831 127.9343 
1 1 1   11   16   13 o  274.155   68.747  160.748   66.726  165.227   69.234  102.258  250.210  273.561   65.683  274.750  120.791 -1.189301 137.4946 
1 1 1   11   16   14 o  229.286   65.346   80.371   49.566   78.524   50.832  116.065  223.487  191.814   60.647  266.758  115.768 -74.94382 130.6914 
1 1 1   11   16   15 o  365.283   83.955  298.414  118.724  215.346  133.978  602.172  256.200  291.531   98.823  439.036  135.750 -147.5048 167.9109 
1 1 1   11   16   16 o  290.639   77.381  200.449  104.888  164.169  119.618  321.140  218.174  258.316   92.973  322.961  123.721 -64.64539 154.7611 
1 1 1   11   16   17 o  339.328   85.924  337.969  138.442  251.534  169.669  510.151  239.471  294.509  109.927  384.147  132.089 -89.63837 171.8474 
1 1 1   11   16   18 o  308.042   79.959  241.663  121.923  129.251  146.436  495.685  220.128  236.048   97.608  380.037  126.674 -143.9891 159.9177 
1 1 1   11   16   19 o  221.286   63.686   99.763   69.593   92.847   75.615  138.066  177.950  201.967   73.736  240.605  103.859 -38.63823 127.3728 
1 1 1   11   16   20 o  308.227   80.759  296.713  133.787  167.974  175.666  474.522  206.446  248.318  105.068  368.136  122.673 -119.8175 161.5174 
1 1 1   11   16   21 o  186.697   58.696   22.120   72.552  -5.9897   82.722  115.817  151.027  149.157   67.243  224.238   96.225 -75.08081 117.3919 
1 1 1   11   16   22 o  206.346   60.888   70.063   96.053  182.213  119.877 -131.0850  160.543  250.188   92.594  162.504   79.093 87.68364 121.7760 
1 1 1   11   16   23 o  194.363   61.404   58.617   99.047  119.556  129.825 -26.2524  153.208  213.075   90.249  175.652   83.288 37.42349 122.8084 
1 1 1   11   16   24 o  194.717   61.053   84.838   93.998  118.882  122.906   36.866  145.897  206.195   87.598  183.239   85.068 22.95615 122.1062 
1 1 1   11   16   25 o  191.714   82.261   95.652  110.356   95.652  110.356   0.0000   0.0000  191.714   82.261  ?   ?       ?      ? 
1 1 1   11   16   26 f  154.145   48.303 -11.8554   71.547   95.438   83.358 -312.0704  139.436  188.406   75.196  119.885   60.650 68.52116 96.60668 
1 1 1   11   16   27 o  139.172   46.305 -23.9387   64.352   14.212   74.869 -131.8381  125.911  143.234   64.326  135.110   66.625 8.124649 92.61086 
1 1 1   11   16   28 o  160.500   51.651   31.540   72.139   62.279   87.611 -33.1817  127.128  168.432   72.790  152.567   73.299 15.86554 103.3013 
1 1 1   11   17    0 o  256.337   53.299  138.833   57.855  181.265   84.981  102.177   78.985  288.286   74.870  224.387   75.878 63.89915 106.5976 
1 1 1   11   17    1 o  188.506   45.968   67.042   41.610   86.819   59.590   48.224   58.127  205.572   65.735  171.439   64.273 34.13292 91.93552 
1 1 1   11   17    2 o  282.899   50.156  175.225   58.621  252.873   82.011   94.105   83.824  345.745   63.109  220.053   77.974 125.6915 100.3129 
1 1 1   11   17    3 o  248.986   64.733   83.094   61.253  213.288  165.733   62.497   65.921  310.298  109.674  187.674   68.797 122.6231 129.4658 
1 1 1   11   17    4 o  273.495   55.995  168.812   64.672  201.346   82.381  116.561  104.401  304.747   70.649  242.244   86.893 62.50372 111.9895 
1 1 1   11   17    5 o  641.474   80.918  882.546  202.560  882.546  202.560   0.0000   0.0000  641.474   80.918  ?   ?       ?      ? 
1 1 1   11   17    6 o  195.505   64.465   77.459   57.066   77.459   57.066   0.0000   0.0000  195.505   64.465  ?   ?       ?      ? 
1 1 1   11   17    7 o  509.076   71.114  602.145  129.771  613.430  158.612  579.296  225.696  535.878   75.847  482.273  120.317 53.60513 142.2287 
1 1 1   11   17    8 o  246.193   59.923  123.022   63.515  118.331   73.394  137.012  126.753  234.215   72.697  258.172   95.279 -23.95628 119.8456 
1 1 1   11   17    9 o  556.398   68.547  621.601  128.182  523.356  146.294  946.321  265.965  491.796   76.227  621.000  113.948 -129.2036 137.0941 
1 1 1   11   17   10 o  229.498   59.793   98.167   54.329   98.105   58.030   98.608  154.614  213.340   64.345  245.657  100.799 -32.31677 119.5861 
1 1 1   11   17   11 f  309.641   70.027  215.407   76.875  211.370   82.523  241.906  211.420  307.635   70.279  311.648  121.144 -4.012787 140.0531 
1 1 1   11   17   12 o  342.015   80.287  324.541  124.798  353.017  141.846  226.979  262.552  378.626   95.897  305.404  128.793 73.22162 160.5736 
1 1 1   11   17   13 o  257.397  116.913   65.136  255.682   0.0000   0.0000   65.136  255.682  ?   ?   257.397  116.913      ?      ? 
1 1 1   11   17   14 o  322.112   79.730  255.409  102.510  231.109  112.159  378.687  252.630  304.023   88.909  340.201  132.374 -36.17798 159.4609 
1 1 1   11   17   15 f  250.356   69.701  146.059   84.862  153.532   90.734   93.860  239.796  251.125   81.200  249.588  113.311 1.537094 139.4016 
1 1 1   11   17   16 o  252.815  114.055  131.016  238.480   0.0000   0.0000  131.016  238.480  ?   ?   252.815  114.055      ?      ? 
1 1 1   11   17   17 o  303.274   76.922  301.944  126.285  350.534  145.619  154.540  253.629  351.288  100.899  255.260  116.135 96.02759 153.8442 
1 1 1   11   17   18 o  322.655   82.099  336.717  124.809  317.771  143.832  394.468  251.117  329.349  101.693  315.961  128.917 13.38809 164.1981 
1 1 1   11   17   19 o  266.257   73.335  208.698  105.077  209.454  121.342  206.433  210.102  272.311   94.003  260.202  112.585 12.10928 146.6695 
1 1 1   11   17   20 o  241.395   69.188  150.177   90.520  136.056  102.560  199.948  192.542  228.618   85.440  254.171  108.848 -25.55272 138.3757 
1 1 1   11   17   21 o  265.990   68.876  233.839  110.293  313.887  131.413   43.093  202.858  322.945   96.702  209.035   98.104 113.9096 137.7522 
1 1 1   11   17   22 f  250.744   72.116  224.081  114.501  254.532  142.100  167.709  193.339  272.071  100.788  229.417  103.171 42.65359 144.2312 
1 1 1   11   17   23 o  176.057   55.715   45.317   80.762   83.414   97.481 -38.0662  144.216  187.340   78.712  164.773   78.873 22.56648 111.4297 
1 1 1   11   17   24 o  177.935   53.434   45.986   77.112  144.812   96.196 -131.6837  128.982  217.722   82.451  138.148   67.989 79.57361 106.8679 
1 1 1   11   17   25 o  232.150   88.233  181.311  110.411  181.311  110.411   0.0000   0.0000  232.150   88.233  ?   ?       ?      ? 
1 1 1   11   17   26 o  166.472   54.086   32.104   79.835   56.143   96.429 -20.2747  142.342  170.038   74.866  162.906   78.079 7.131927 108.1724 
1 1 1   11   17   27 o  151.279   51.297 -33.4602   87.466  -9.0499  117.459 -63.8428  131.043  154.508   73.165  148.049   71.919 6.458679 102.5940 
1 1 1   11   18    0 o  331.708   91.165  253.255  121.657  253.255  121.657   0.0000   0.0000  331.708   91.165  ?   ?       ?      ? 
1 1 1   11   18    1 o  303.761   77.946  205.598   92.856  205.598   92.856   0.0000   0.0000  303.761   77.946  ?   ?       ?      ? 
1 1 1   11   18    2 o   72.482   34.250 -28.5258   25.486 -28.5258   25.486   0.0000   0.0000   72.482   34.250  ?   ?       ?      ? 
1 1 1   11   18    3 o  497.534  139.508  674.348  281.804  674.348  281.804   0.0000   0.0000  497.534  139.508  ?   ?       ?      ? 
1 1 1   11   18    4 o  301.943   76.660  203.697   90.492  203.697   90.492   0.0000   0.0000  301.943   76.660  ?   ?       ?      ? 
1 1 1   11   18    5 o  335.634   74.924  250.482   95.649  250.482   95.649   0.0000   0.0000  335.634   74.924  ?   ?       ?      ? 
1 1 1   11   18    6 o  229.824   71.151  114.869   70.358  114.869   70.358   0.0000   0.0000  229.824   71.151  ?   ?       ?      ? 
1 1 1   11   18    7 o  375.478   68.547  336.908   95.640  334.534  113.922  342.575  176.027  385.199   78.451  365.756  112.428 19.44284 137.0941 
1 1 1   11   18    8 o  585.129   80.972  764.182  184.891  764.182  184.891   0.0000   0.0000  585.129   80.972  ?   ?       ?      ? 
1 1 1   11   18    9 o  287.570   64.435  166.191   63.930  150.274   69.346  256.312  165.009  259.082   67.802  316.058  109.591 -56.97586 128.8693 
1 1 1   11   18   10 o  159.463   53.578 -11.8846   23.543 -14.3309   23.801   98.986  160.233   77.533   35.391  241.393  101.143 -163.8599 107.1563 
1 1 1   11   18   11 o  276.844   68.143  175.199   69.653  176.425   73.142  163.258  228.228  278.620   67.893  275.067  118.170 3.552887 136.2850 
1 1 1   11   18   12 o  430.691   70.440  415.888  118.390  415.888  118.390   0.0000   0.0000  430.691   70.440  ?   ?       ?      ? 
1 1 1   11   18   13 o  101.463   43.528   1.5587   30.890   1.5587   30.890   0.0000   0.0000  101.463   43.528  ?   ?       ?      ? 
1 1 1   11   18   14 o  240.118   66.953  122.195   64.518  122.573   66.808  116.964  248.533  228.440   69.073  251.796  114.715 -23.35634 133.9051 
1 1 1   11   18   15 o  230.903   67.372  105.328   65.230  103.550   67.489  130.557  254.246  210.584   70.138  251.223  115.052 -40.63905 134.7449 
1 1 1   11   18   16 o  308.667   86.243  307.552  139.192  260.711  160.053  452.922  281.961  291.319  107.138  326.016  135.178 -34.69763 172.4865 
1 1 1   11   18   17 o  187.561   62.874 -32.0346  106.481 -34.0391  121.931 -25.5944  218.558  166.710   77.519  208.411   99.012 -41.70038 125.7481 
1 1 1   11   18   18 o  317.658   80.728  295.226  107.403  258.863  117.693  476.318  262.648  304.535   91.588  330.781  132.965 -26.24631 161.4559 
1 1 1   11   18   19 o  325.841   91.699  450.514  178.088  305.904  237.600  635.909  269.027  278.468  120.108  373.214  138.595 -94.74591 183.3971 
1 1 1   11   18   20 f  180.484   58.693   27.294   81.876   42.159   89.879 -45.2002  198.487  171.413   73.902  189.556   91.202 -18.14345 117.3857 
1 1 1   11   18   21 f  292.109   75.755  336.265  118.296  351.592  140.098  298.190  220.809  325.842  100.324  258.377  113.536 67.46555 151.5098 
1 1 1   11   18   22 f  304.867   75.058  396.499  125.510  471.885  156.558  260.895  209.974  368.576  104.207  241.159  108.054 127.4174 150.1158 
1 1 1   11   18   23 o  189.244   58.869   87.072   80.803   84.083   97.427   93.658  144.625  184.456   78.158  194.032   88.054 -9.575653 117.7376 
1 1 1   11   18   24 o  186.732   58.790   81.627   89.178  118.663  110.220   11.430  151.742  200.042   83.855  173.423   82.422 26.61829 117.5804 
1 1 1   11   18   25 f  232.367   66.071  202.939  104.535  298.081  135.148   61.245  164.929  279.134   98.997  185.601   87.526 93.53273 132.1413 
1 1 1   11   18   26 o  145.312   48.907 -42.8626   79.887   28.195  101.482 -158.6409  129.538  159.173   72.819  131.450   65.307 27.72316 97.81464 
1 1 1   11   19    0 o  223.133   54.191  104.556   57.919  130.933   81.570   77.734   82.255  242.600   76.839  203.667   76.437 38.93274 108.3828 
1 1 1   11   19    1 o  316.901   56.990  233.242   76.958  352.414  108.344  111.885  109.333  398.835   72.273  234.967   88.137 163.8688 113.9800 
1 1 1   11   19    2 o  379.268   61.181  351.271   96.755  512.121  132.167  165.521  142.028  487.301   69.501  271.235  100.706 216.0662 122.3611 
1 1 1   11   19    3 o  271.022   73.197  157.575  100.518  175.801  190.471  150.540  118.339  283.067  113.426  258.978   92.552 24.08948 146.3950 
1 1 1   11   19    4 o  512.815   74.413  661.743  140.050  694.252  175.174  604.153  233.155  556.438   80.672  469.191  125.066 87.24673 148.8267 
1 1 1   11   19    5 o  157.200   48.822   2.8721   34.063  -2.8558   35.705   60.913  113.656  106.220   46.185  208.180   86.031 -101.9597 97.64388 
1 1 1   11   19    6 o  113.364   48.540   2.2053   38.279   2.2053   38.279   0.0000   0.0000  113.364   48.540  ?   ?       ?      ? 
1 1 1   11   19    7 o  453.884   75.419  513.405  121.716  482.868  143.774  590.661  228.681  453.155   84.408  454.613  125.009 -1.457306 150.8372 
1 1 1   11   19    8 o  335.230   70.327  254.530   82.911  228.723   91.895  367.493  192.261  312.915   76.009  357.544  118.347 -44.62903 140.6531 
1 1 1   11   19    9 o  250.366   64.198  143.904   68.452  149.290   73.456  108.372  188.673  253.628   71.265  247.103  106.803 6.525528 128.3961 
1 1 1   11   19   10 o  244.313   66.118  132.275   70.522  135.942   74.712  102.298  213.596  240.637   73.108  247.989  110.189 -7.351624 132.2362 
1 1 1   11   19   11 o  244.736   68.307  115.611   60.915  111.094   62.911  183.448  243.805  219.445   67.172  270.027  118.959 -50.58163 136.6140 
1 1 1   11   19   12 o  205.431   66.367   40.961   45.440   37.507   46.087  161.526  272.287  147.669   56.793  263.194  119.971 -115.5247 132.7349 
1 1 1   11   19   13 o  156.234   60.186   43.810   51.821   43.810   51.821   0.0000   0.0000  156.234   60.186  ?   ?       ?      ? 
1 1 1   11   19   14 o  301.662   85.314  234.119  120.203  169.546  131.762  554.458  293.473  250.648   96.117  352.676  140.979 -102.0279 170.6274 
1 1 1   11   19   15 o  159.203   53.051   8.3439   46.511   15.446   47.778 -120.2432  203.298  131.015   55.080  187.390   90.686 -56.37550 106.1024 
1 1 1   11   19   16 o  163.910   53.715  -0.8824   53.592  -5.1454   57.018   31.420  156.956  127.686   56.823  200.133   91.172 -72.44649 107.4301 
1 1 1   11   19   17 o  203.956   61.206   85.238   78.985  102.792   87.606   8.9788  182.596  207.281   78.639  200.631   93.813 6.650604 122.4130 
1 1 1   11   19   18 o  249.008   71.275  191.555  103.691  202.581  114.190  139.734  247.556  263.298   91.174  234.717  109.579 28.58058 142.5492 
1 1 1   11   19   19 o  163.200   57.050 -46.3009   68.206 -54.5920   71.522   36.943  226.626  119.499   56.734  206.901   98.995 -87.40128 114.0991 
1 1 1   11   19   20 f  240.019   71.341  190.678  103.163  157.998  119.320  287.436  205.313  225.303   89.952  254.735  110.756 -29.43211 142.6824 
1 1 1   11   19   21 o  230.938   67.845  171.808   93.498  127.217  111.638  276.567  171.113  207.013   85.380  254.862  105.460 -47.84894 135.6892 
1 1 1   11   19   22 o  243.680   65.594  224.994  102.819  307.692  125.912   59.479  178.131  297.829   95.587  189.531   89.852 108.2974 131.1876 
1 1 1   11   19   23 o  171.592   55.607   42.726   79.773   52.232   93.152   16.578  154.497  168.142   73.817  175.041   83.184 -6.898636 111.2142 
1 1 1   11   19   24 f  135.993   64.120 -28.2624   88.441 -28.2624   88.441   0.0000   0.0000  135.993   64.120  ?   ?       ?      ? 
1 1 1   11   19   25 o  180.836   59.776   66.794  104.283   47.669  167.685   78.855  133.167  179.586   85.712  182.086   83.344 -2.500336 119.5520 
1 1 1   11   20    0 o  294.906   63.276  207.915   81.480  288.690  121.595  142.085  109.770  342.154   89.898  247.659   89.072 94.49419 126.5518 
1 1 1   11   20    1 o  113.249   37.383 -40.4276   38.944 -37.0060   48.420 -46.6956   65.536  104.795   48.769  121.704   56.671 -16.90898 74.76660 
1 1 1   11   20    2 o  517.598   77.365  753.634  154.582  949.930  203.576  486.325  237.562  641.049   81.378  394.148  131.602 246.9005 154.7301 
1 1 1   11   20    3 f  163.152   55.706 -77.1404   68.462 -24.2740  180.923 -85.9754   73.962  208.628   96.099  117.676   56.369 90.95213 111.4115 
1 1 1   11   20    4 o  346.650   67.694  326.708   97.138  372.335  119.196  236.488  167.611  397.408   79.633  295.892  109.492 101.5163 135.3884 
1 1 1   11   20    5 o  111.966   39.902 -34.8174   29.284 -25.7876   29.956 -229.2198  138.995   81.730   38.144  142.201   70.099 -60.47099 79.80451 
1 1 1   11   20    6 o  283.672   79.941  195.343   92.291  195.343   92.291   0.0000   0.0000  283.672   79.941  ?   ?       ?      ? 
1 1 1   11   20    7 o  378.939   76.548  362.457  106.343  312.542  122.118  519.085  216.322  351.146   89.001  406.733  124.569 -55.58621 153.0970 
1 1 1   11   20    8 o  167.494   55.005   3.2279   39.842  -0.1292   40.985   60.896  169.866  113.948   49.514  221.039   98.237 -107.0906 110.0098 
1 1 1   11   20    9 o  208.266   63.623   58.204   57.053   52.042   59.334  133.778  207.791  167.684   64.453  248.848  109.715 -81.16339 127.2464 
1 1 1   11   20   10 o  223.646   69.135   52.490   58.161   38.324   59.932  281.623  241.035  157.623   63.461  289.669  122.847 -132.0461 138.2703 
1 1 1   11   20   11 o  283.171   73.989  204.392   82.615  196.248   86.457  289.971  280.263  280.932   76.705  285.410  126.546 -4.477448 147.9785 
1 1 1   11   20   12 o  191.736   61.240   48.331   52.247   51.475   53.300 -28.8704  264.119  162.688   61.431  220.784  105.962 -58.09587 122.4810 
1 1 1   11   20   13 o  137.428   57.183   20.866   50.712   20.866   50.712   0.0000   0.0000  137.428   57.183  ?   ?       ?      ? 
1 1 1   11   20   14 o  310.425   81.356  315.801  128.116  250.001  162.609  423.500  208.037  280.912  107.002  339.938  122.580 -59.02560 162.7122 
1 1 1   11   20   15 o  234.883   61.213  152.292   79.338  188.985   92.206   47.659  155.706  267.511   81.205  202.256   91.618 65.25467 122.4261 
1 1 1   11   20   16 o  227.168   67.450  121.919  106.506   22.290  149.806  223.746  151.450  190.628   87.673  263.707  102.526 -73.07898 134.9006 
1 1 1   11   20   17 o  288.134   83.316  344.227  149.445  263.526  202.016  441.775  222.102  261.092  111.644  315.177  123.702 -54.08554 166.6329 
1 1 1   11   20   18 o  281.698   73.717  322.927  121.971  363.467  139.938  194.767  248.813  332.426   99.845  230.970  108.479 101.4564 147.4337 
1 1 1   11   20   19 o  177.480   59.080   15.706  104.797   39.445  131.585 -25.4664  173.290  178.800   82.209  176.160   84.873 2.639526 118.1601 
1 1 1   11   20   20 o  220.488   71.253  170.098  129.222  294.833  223.663  107.599  158.319  241.276  109.497  199.699   91.204 41.57693 142.5054 
1 1 1   11   20   21 o  192.925   63.578   69.727  127.728 -161.4996  234.925  166.763  152.187  169.986   85.000  215.863   94.570 -45.87704 127.1552 
1 1 1   11   20   22 o  174.194   84.993 -31.3191  188.667 -31.3191  188.667   0.0000   0.0000  174.194   84.993  ?   ?       ?      ? 
1 1 1   11   20   23 o  157.361   69.281   39.427   82.568   39.427   82.568   0.0000   0.0000  157.361   69.281  ?   ?       ?      ? 
1 1 1   11   20   24 o   79.225   39.942 -153.2960   57.509 -153.2960   57.509   0.0000   0.0000   79.225   39.942  ?   ?       ?      ? 
1 1 1   11   21    0 f  321.058   71.498  279.319  103.979  390.724  154.262  186.561  140.762  376.706  102.297  265.409   99.917 111.2965 142.9966 
1 1 1   11   21    1 o  171.029   52.459   18.917   66.270   54.725   81.276 -52.1112  114.469  181.777   73.650  160.281   74.722 21.49614 104.9178 
1 1 1   11   21    2 o  307.594   83.199  256.467  128.483  441.362  240.665  182.762  151.949  352.389  131.042  262.799  102.550 89.59055 166.3983 
1 1 1   11   21    3 o  211.714   66.614   33.801  100.929  133.961  186.257  -7.8350  120.088  246.533  106.338  176.894   80.261 69.63878 133.2275 
1 1 1   11   21    4 o  426.236  140.841  677.461  272.335   0.0000   0.0000  677.461  272.335  ?   ?   426.236  140.841      ?      ? 
1 1 1   11   21    5 o  210.732   66.700   46.173  112.842   41.321  161.205   50.836  158.010  209.854   94.306  211.609   94.351 -1.755966 133.4007 
1 1 1   11   21    6 o  223.785   98.964   81.597  170.316   81.597  170.316   0.0000   0.0000  223.785   98.964  ?   ?       ?      ? 
1 1 1   11   21    7 o  253.343   73.958  167.846  123.864  235.723  163.791   77.172  189.307  280.577  107.267  226.109  101.848 54.46815 147.9162 
1 1 1   11   21    8 o  206.680   66.403   38.206  110.521   37.709  133.250   39.302  197.845  195.644   86.976  217.716  100.361 -22.07230 132.8053 
1 1 1   11   21    9 o  295.692   86.519  305.181  157.512  268.997  194.272  374.604  269.093  285.957  114.564  305.427  129.680 -19.47046 173.0371 
1 1 1   11   21   10 o  260.924   78.240  187.696  126.660  158.235  147.694  269.598  246.253  243.751   99.094  278.097  121.104 -34.34544 156.4795 
1 1 1   11   21   11 o  267.555  112.204  228.202  197.477   0.0000   0.0000  228.202  197.477  ?   ?   267.555  112.204      ?      ? 
1 1 1   11   21   12 o  229.138   67.444  101.986  101.204   12.529  129.965  239.796  161.310  183.158   83.255  275.118  106.130 -91.95967 134.8889 
1 1 1   11   21   13 o  171.354   79.093 -12.0481  123.474 -12.0481  123.474   0.0000   0.0000  171.354   79.093  ?   ?       ?      ? 
1 1 1   11   21   14 o  157.237   73.516 -34.1755  112.091 -34.1755  112.091   0.0000   0.0000  157.237   73.516  ?   ?       ?      ? 
1 1 1   11   21   15 o  203.205   91.127   79.293  149.678   79.293  149.678   0.0000   0.0000  203.205   91.127  ?   ?       ?      ? 
1 1 1   11   21   16 o  192.185   87.974   57.347  148.421   57.347  148.421   0.0000   0.0000  192.185   87.974  ?   ?       ?      ? 
1 1 1   11   21   17 f  138.971   63.676  -7.8160   78.011  -7.8160   78.011   0.0000   0.0000  138.971   63.676  ?   ?       ?      ? 
1 1 1   11   21   18 o  112.935   53.895 -52.5205   66.265 -52.5205   66.265   0.0000   0.0000  112.935   53.895  ?   ?       ?      ? 
1 1 1   11   21   19 o  175.774   55.865   57.176   70.527   59.749   78.412   46.274  161.377  167.766   70.547  183.783   86.641 -16.01692 111.7300 
1 1 1   11   21   20 o  140.645   47.464 -30.3652   66.489  -3.0900   74.632 -135.2919  146.380  136.402   62.419  144.888   71.520 -8.485764 94.92729 
1 1 1   11   21   21 o  179.690   57.403   67.312   80.801   69.013   94.409   62.653  156.230  174.905   75.574  184.475   86.423 -9.570267 114.8057 
1 1 1   11   21   22 o  163.116   52.919   35.532   72.816   54.491   82.570 -30.7893  154.437  163.655   70.695  162.577   78.765 1.078552 105.8384 
1 1 1   11   21   23 o  311.123   71.838  172.838   89.008   31.219   96.444  986.327  231.149  156.516   71.366  465.730  124.699 -309.2141 143.6767 
1 1 1   11   22    0 o  308.073   70.854  258.686  114.049  464.294  165.944   74.629  157.007  400.386  104.935  215.759   95.236 184.6269 141.7081 
1 1 1   11   22    1 f  438.770  142.735  761.195  280.112   0.0000   0.0000  761.195  280.112  ?   ?   438.770  142.735      ?      ? 
1 1 1   11   22    2 o  248.269   68.282  162.867   98.574  216.850  133.775   98.734  145.810  275.530   98.410  221.008   94.686 54.52184 136.5649 
1 1 1   11   22    3 o  245.427  102.682  157.365  164.788   0.0000   0.0000  157.365  164.788  ?   ?   245.427  102.682      ?      ? 
1 1 1   11   22    4 o  311.540   72.507  312.229  110.606  355.502  129.095  192.781  214.482  364.259   91.063  258.821  112.857 105.4388 145.0146 
1 1 1   11   22    5 o  301.080   71.912  273.938   99.106  283.166  114.233  245.855  199.286  326.407   87.776  275.752  113.934 50.65497 143.8246 
1 1 1   11   22    6 o  224.572   67.548   82.536   74.965   60.490   80.531  225.698  205.219  181.482   73.388  267.662  113.424 -86.17947 135.0960 
1 1 1   11   22    7 o  317.072   73.983  328.533  110.497  351.627  125.126  246.731  235.493  363.133   88.992  271.012  118.213 92.12051 147.9656 
1 1 1   11   22    8 o  279.990   70.793  235.194   93.424  242.639  101.980  196.325  233.011  303.798   83.456  256.182  114.374 47.61639 141.5852 
1 1 1   11   22    9 o  398.276  154.806  860.390  345.223   0.0000   0.0000  860.390  345.223  ?   ?   398.276  154.806      ?      ? 
1 1 1   11   22   10 o  198.459   60.580   61.060   70.119   45.795   77.955  125.746  160.471  169.872   70.809  227.045   98.315 -57.17249 121.1606 
1 1 1   11   22   11 o  202.460   59.184   88.759   69.802   87.311   80.325   93.227  141.066  194.591   74.941  210.329   91.625 -15.73773 118.3687 
1 1 1   11   22   12 o  260.784   65.355  216.635   89.712  251.040  105.055  123.980  172.402  299.616   85.591  221.953   98.788 77.66362 130.7094 
1 1 1   11   22   13 o  177.474   72.125   66.046   78.210   66.046   78.210   0.0000   0.0000  177.474   72.125  ?   ?       ?      ? 
1 1 1   11   22   14 o  222.521   80.514  140.514   89.864  140.514   89.864   0.0000   0.0000  222.521   80.514  ?   ?       ?      ? 
1 1 1   11   22   15 o  128.584   44.374 -57.1882   57.443 -34.2443   62.262 -188.4196  148.905  116.025   54.420  141.144   70.105 -25.11852 88.74854 
1 1 1   11   22   16 o  190.131   57.246   91.735   78.844  128.521   89.483 -35.9513  166.713  209.865   79.511  170.397   82.380 39.46776 114.4922 
1 1 1   11   22   17 o  224.744   71.084  205.228  127.477  200.749  167.291  211.430  196.856  225.441   98.949  224.047  102.081 1.393845 142.1671 
1 1 1   11   22   18 o  161.819   55.593 -101.5066   69.127 -161.7216   75.397  216.072  173.151   95.719   47.906  227.920  100.337 -132.2013 111.1867 
1 1 1   11   22   19 o  230.814   64.016  203.298  103.415  277.608  119.334 -20.8165  207.240  282.496   93.225  179.131   87.757 103.3646 128.0326 
1 1 1   11   22   20 o  143.075   49.770 -44.8529   66.208 -45.1208   71.278 -43.1674  178.755  118.222   56.274  167.927   82.106 -49.70510 99.53966 
1 1 1   11   22   21 o  164.124   54.264   32.707   76.829   43.526   84.866 -16.4288  180.866  158.297   69.938  169.952   82.987 -11.65508 108.5274 
1 1 1   11   23    0 o  301.569   70.678  293.373  115.034  399.360  143.524  102.976  192.365  375.365   97.208  227.772  102.626 147.5934 141.3561 
1 1 1   11   23    1 o  217.574   63.565  105.479   93.236  158.611  114.760   2.3137  159.913  242.259   90.410  192.889   89.375 49.37004 127.1296 
1 1 1   11   23    2 o  349.473   80.698  417.153  127.769  425.229  154.691  399.815  226.652  380.250  102.096  318.697  125.001 61.55295 161.3967 
1 1 1   11   23    3 o  159.235   53.340 -41.4334   79.234  -9.8833   88.832 -164.2212  175.245  152.026   68.998  166.445   81.363 -14.41814 106.6803 
1 1 1   11   23    4 o  158.444   53.689 -41.5754   64.602 -49.4194   69.987   3.5903  167.939  121.760   57.297  195.128   90.814 -73.36843 107.3780 
1 1 1   11   23    5 o  224.234   67.334   83.637   79.617   48.339   87.382  256.183  193.198  176.023   74.270  272.444  112.337 -96.42050 134.6685 
1 1 1   11   23    6 f  186.879   61.124   19.875   76.479   11.313   82.534   71.891  203.429  155.360   68.788  218.399  101.058 -63.03943 122.2476 
1 1 1   11   23    7 o  187.160   59.912   42.657   78.694   55.620   85.113 -33.6812  206.547  177.532   73.994  196.787   94.248 -19.25508 119.8244 
1 1 1   11   23    8 f  187.523   61.086   38.949   73.745   41.592   77.785   15.472  231.843  165.816   70.024  209.230  100.114 -43.41389 122.1726 
1 1 1   11   23    9 o  255.636   73.895  205.346  105.293  180.966  119.328  291.082  223.773  245.452   92.076  265.820  115.602 -20.36778 147.7895 
1 1 1   11   23   10 o  250.615   71.420  212.213  105.132  202.180  129.436  231.663  180.225  250.594   95.463  250.636  106.256 -0.4234314E-01 142.8410 
1 1 1   11   23   11 o  163.240   53.598   5.1089   72.823   7.0198   83.603  -0.9004  148.261  149.727   67.541  176.753   83.241 -27.02570 107.1953 
1 1 1   11   23   12 o  147.516   51.279 -84.9943   61.831 -114.7728   67.172   80.248  158.234   98.045   48.407  196.986   90.415 -98.94043 102.5582 
1 1 1   11   23   14 o  266.794  103.239  289.215  153.010  289.215  153.010   0.0000   0.0000  266.794  103.239  ?   ?       ?      ? 
1 1 1   11   23   15 o  138.053   49.346 -132.6547   70.267 -160.2637   76.802   9.1756  174.073   97.297   48.645  178.808   85.871 -81.51085 98.69209 
1 1 1   11   23   16 o  177.161   59.595 -28.7836   83.015 -93.9566   92.541  239.772  187.853  122.583   59.747  231.740  103.134 -109.1568 119.1906 
1 1 1   11   23   17 o  159.398   54.250 -14.4358   85.463  -2.6407   94.990 -64.5481  195.794  148.059   68.702  170.737   83.977 -22.67740 108.4996 
1 1 1   11   23   18 o  210.121  100.920  186.471  240.583   0.0000   0.0000  186.471  240.583  ?   ?   210.121  100.920      ?      ? 
1 1 1   11   23   19 o   95.937   48.084 -191.4448   73.256 -164.5856   77.223 -432.9207  231.546   95.937   48.084  ?   ?       ?      ? 
1 1 1   11   24    0 o  394.741   91.410  666.016  167.887  665.662  204.528  666.749  293.946  440.717  116.976  348.764  140.498 91.95297 182.8199 
1 1 1   11   24    1 o  250.133   71.815  209.092  115.799  249.382  137.870  112.594  213.370  277.324   99.815  222.941  103.278 54.38286 143.6293 
1 1 1   11   24    2 o  237.749   69.835  176.199  109.548  205.292  127.539   94.346  213.927  256.899   95.422  218.600  101.991 38.29947 139.6692 
1 1 1   11   24    3 o  206.402   63.801   95.960   94.202  117.559  106.490   18.239  202.005  212.207   84.890  200.596   95.267 11.61127 127.6012 
1 1 1   11   24    4 o  205.334   61.036  101.823   88.199  146.040   99.421 -61.5491  191.105  228.102   84.344  182.567   88.248 45.53491 122.0722 
1 1 1   11   24    5 o  249.443   68.615  214.468  104.572  252.318  119.457   90.348  216.319  284.944   93.237  213.941  100.692 71.00330 137.2294 
1 1 1   11   24    6 o  217.155   67.985   73.600   86.843   20.633   95.455  328.025  209.207  162.266   72.770  272.043  114.859 -109.7769 135.9706 
1 1 1   11   24    7 o  157.260   53.173 -13.6795   69.154  -3.7293   74.188 -79.6244  190.988  138.945   63.059  175.576   85.633 -36.63126 106.3458 
1 1 1   11   24    8 o  209.653   65.238   85.819   79.581   48.971   87.270  267.734  193.904  168.739   72.786  250.567  108.287 -81.82814 130.4754 
1 1 1   11   24    9 o  176.610   56.444   48.113   68.873   46.215   75.632   57.329  166.673  161.736   68.713  191.484   89.566 -29.74741 112.8872 
1 1 1   11   24   10 o  273.473   74.237  278.015  102.530  236.995  118.635  399.079  203.811  264.058   92.847  282.887  115.863 -18.82935 148.4748 
1 1 1   11   24   11 o  248.063   62.231  226.828  100.199  321.974  116.560 -42.5287  196.118  319.646   89.755  176.479   86.227 143.1672 124.4626 
1 1 1   11   24   12 o  149.525   51.968 -34.7416   65.936 -35.1458   69.897 -31.4758  198.699  121.374   57.159  177.677   86.808 -56.30367 103.9362 
1 1 1   11   24   13 o  197.028   78.923  110.871   92.181  110.871   92.181   0.0000   0.0000  197.028   78.923  ?   ?       ?      ? 
1 1 1   11   24   14 o  153.366   68.253   27.871   82.267   27.871   82.267   0.0000   0.0000  153.366   68.253  ?   ?       ?      ? 
1 1 1   11   24   15 o  222.038   69.677  170.945  101.283  141.627  110.374  327.235  254.839  209.420   85.460  234.656  110.074 -25.23589 139.3542 
1 1 1   11   24   16 o  151.843   52.559 -30.1606   78.540 -13.7142   83.470 -157.1695  231.960  137.042   63.862  166.644   83.495 -29.60182 105.1176 
1 1 1   11   24   17 o  161.425   55.408   0.9106   84.294   11.422   89.465 -82.2148  251.590  147.868   67.913  174.981   87.567 -27.11313 110.8159 
1 1 1   11   25    0 o  146.290   48.482 -26.6910   70.464   26.432   78.964 -234.3799  156.132  153.765   67.722  138.816   69.395 14.94936 96.96417 
1 1 1   11   25    1 o  317.977   78.515  432.170  126.101  438.341  149.602  417.025  234.365  358.909  102.002  277.045  119.391 81.86377 157.0308 
1 1 1   11   25    2 o  307.993   77.328  398.067  121.013  399.427  143.016  394.637  227.063  342.867  100.434  273.119  117.608 69.74759 154.6566 
1 1 1   11   25    3 o  221.645   64.984  158.801   89.499  159.035  104.999  158.182  171.154  226.024   86.010  217.266   97.438 8.758728 129.9684 
1 1 1   11   25    4 o  205.182   61.096  123.780   85.729  149.984   99.643   49.114  168.200  221.628   83.919  188.736   88.817 32.89192 122.1918 
1 1 1   11   25    5 o  176.646   56.279   52.086   74.267   49.994   85.428   58.560  150.278  166.457   71.907  186.836   86.595 -20.37885 112.5581 
1 1 1   11   25    6 o  183.993   56.995   75.906   79.508  104.142   94.486   7.4150  147.157  194.945   79.256  173.040   81.928 21.90436 113.9899 
1 1 1   11   25    7 o  170.585   73.884   57.154   90.667   57.154   90.667   0.0000   0.0000  170.585   73.884  ?   ?       ?      ? 
1 1 1   11   25    8 o  123.837   57.639 -23.1591   67.671 -23.1591   67.671   0.0000   0.0000  123.837   57.639  ?   ?       ?      ? 
1 1 1   11   25    9 o  138.490   49.154 -61.4389   53.556 -69.1735   56.256   13.358  174.943   97.411   47.274  179.569   86.196 -82.15836 98.30883 
1 1 1   11   25   10 o  237.813   66.714  220.555   98.772  241.602  111.622  144.612  212.032  267.992   90.205  207.634   98.317 60.35776 133.4286 
1 1 1   11   25   11 o  141.269   50.679 -103.8812   69.417 -115.6669   73.907 -15.6319  202.239  103.013   50.844  179.526   87.683 -76.51241 101.3575 
1 1 1   11   25   12 o  144.482   66.576  -0.1263   86.937  -0.1263   86.937   0.0000   0.0000  144.482   66.576  ?   ?       ?      ? 
1 1 1   11   25   13 o  135.346   64.428 -40.2685   93.451 -40.2685   93.451   0.0000   0.0000  135.346   64.428  ?   ?       ?      ? 
1 1 1   11   25   14 o  137.006   65.686 -47.7340  100.916 -47.7340  100.916   0.0000   0.0000  137.006   65.686  ?   ?       ?      ? 
1 1 1   11   25   15 o  129.236   63.529 -108.0548  111.533 -108.0548  111.533   0.0000   0.0000  129.236   63.529  ?   ?       ?      ? 
1 1 1   11   26    0 o  209.846   60.527  143.314   85.646  180.626   97.480   17.026  179.337  238.540   84.133  181.151   87.040 57.38918 121.0548 
1 1 1   11   26    1 o  207.101   60.197  136.547   86.166  177.839   98.382   0.5620  178.537  236.173   84.390  178.030   85.868 58.14285 120.3949 
1 1 1   11   26    2 o  143.730   48.000 -25.8153   69.720   18.009   78.882 -182.2890  149.052  147.779   66.221  139.681   69.505 8.097473 96.00031 
1 1 1   11   26    3 f  290.843   74.465  369.961  116.298  389.804  140.477  326.733  207.339  330.612  100.203  251.075  110.180 79.53690 148.9306 
1 1 1   11   26    4 o  176.925   55.929   60.013   80.811   93.416   95.619 -23.4841  151.177  187.786   78.362  166.064   79.823 21.72182 111.8582 
1 1 1   11   26    5 o  178.507   55.529   61.592   81.459  118.731   97.918 -66.8391  146.800  200.712   81.008  156.301   75.972 44.41092 111.0588 
1 1 1   11   26    6 o  170.021   54.456   37.424   82.110   88.986   98.297 -81.6163  149.356  185.535   78.554  154.508   75.439 31.02699 108.9117 
1 1 1   11   26    7 o  186.761   60.748   66.104   87.419   40.930   99.441  151.739  183.409  165.276   74.186  208.246   96.217 -42.97025 121.4961 
1 1 1   11   26    8 o  165.445   55.489   14.509   76.975   10.623   84.392   33.749  187.774  147.024   66.930  183.866   88.525 -36.84195 110.9789 
1 1 1   11   26    9 o  160.047   54.129   4.8339   74.912   10.291   80.770 -28.7457  200.354  144.549   65.677  175.544   86.060 -30.99550 108.2580 
1 1 1   11   26   10 o  159.475   55.374 -20.3174   74.231 -31.6636   78.875   67.625  219.591  128.120   60.452  190.830   92.793 -62.71034 110.7476 
1 1 1   11   26   11 o  154.700   54.061 -39.8755   88.091 -23.4951   93.316 -173.9834  267.007  139.049   65.653  170.352   85.906 -31.30299 108.1216 
1 1 1   11   26   12 o  152.550   71.603   2.7337  108.114   2.7337  108.114   0.0000   0.0000  152.550   71.603  ?   ?       ?      ? 
1 1 1   11   27    0 f  198.641   65.049  118.471  120.939  160.084  164.667   69.736  178.202  209.132   94.521  188.151   89.392 20.98015 130.0972 
1 1 1   11   27    1 o  199.834   63.873  100.357  109.225 -14.3369  147.394  240.056  162.669  164.833   79.122  234.834  100.294 -70.00085 127.7460 
1 1 1   11   27    2 o  197.692   62.869  115.656  103.537  170.499  143.849   56.704  149.140  214.527   92.989  180.857   84.636 33.66978 125.7390 
1 1 1   11   27    3 o  136.212   47.354 -124.2579   87.934 -51.0908  124.439 -197.2333  124.275  148.547   71.658  123.876   61.925 24.67061 94.70775 
1 1 1   11   27    4 o  190.674   61.820   82.692  107.725  182.725  152.086 -18.0296  152.608  216.391   94.676  164.957   79.519 51.43457 123.6400 
1 1 1   11   27    5 o  190.202   62.704   91.757  113.011   58.796  151.049  133.667  170.324  180.430   84.671  199.975   92.510 -19.54544 125.4090 
1 1 1   11   27    6 o  192.260   64.541   97.915  128.984   63.825  169.546  144.752  198.734  183.400   87.152  201.120   95.218 -17.71960 129.0815 
1 1 1   11   27    7 o  135.962   68.229 -220.0601  157.897 -220.0601  157.897   0.0000   0.0000  135.962   68.229  ?   ?       ?      ? 
1 1 1   11   27    8 o  307.582  102.608  697.875  222.708  274.965  243.143  2901.24  554.984  217.128  103.514  398.036  177.197 -180.9088 205.2166 
1 1 1   12    0    0 o   64.125   20.751   11.745   8.0086   11.745   8.0086   11.745   8.0086   64.125   29.347   64.125   29.347 -0.000000 0.000000 
1 1 1   12    0    1 o  193.798   16.749   76.855   17.198   76.855   17.198   76.855   17.198  193.798   23.686  193.798   23.686 0.000000 0.000000 
1 1 1   12    0    2 o   90.923   21.598   20.891   9.6787   20.891   9.6787   20.891   9.6787   90.923   30.544   90.923   30.544 -0.000000 0.000000 
1 1 1   12    0    3 o  608.211   27.901  740.833   92.750  740.833   92.750  740.833   92.750  608.211   39.458  608.211   39.458 0.000000 0.000000 
1 1 1   12    0    4 o  838.151   22.791  1389.28  105.069  1389.28  105.069  1389.28  105.069  838.151   32.232  838.151   32.232 0.000000 0.000000 
1 1 1   12    0    5 o  142.442   17.811   43.285   12.695   43.285   12.695   43.285   12.695  142.442   25.189  142.442   25.189 -0.000000 0.000000 
1 1 1   12    0    6 o  477.202   17.807  450.237   46.599  450.237   46.599  450.237   46.599  477.202   25.184  477.202   25.184 0.000000 0.000000 
1 1 1   12    0    7 o  576.183   27.210  663.233   85.637  663.233   85.637  663.233   85.637  576.183   38.480  576.183   38.480 0.000000 0.000000 
1 1 1   12    0    8 o  910.703   31.918  1652.05  159.523  1652.05  159.523  1652.05  159.523  910.703   45.139  910.703   45.139 0.000000 0.000000 
1 1 1   12    0    9 o  713.941   27.722  1012.92  108.477  1012.92  108.477  1012.92  108.477  713.941   39.205  713.941   39.205 0.000000 0.000000 
1 1 1   12    0   10 o  478.791   22.851  456.042   59.750  456.042   59.750  456.042   59.750  478.791   32.316  478.791   32.316 -0.000000 0.000000 
1 1 1   12    0   17 o   66.300   22.447   12.657   9.4485   12.657   9.4485   12.657   9.4485   66.300   31.744   66.300   31.744 -0.000000 0.000000 
1 1 1   12    0   18 o  365.724   24.048  269.434   47.572  269.434   47.572  269.434   47.572  365.724   34.008  365.724   34.008 -0.000000 0.000000 
1 1 1   12    0   19 o  761.265   28.883  1152.20  120.547  1152.20  120.547  1152.20  120.547  761.265   40.847  761.265   40.847 -0.000000 0.000000 
1 1 1   12    0   20 o  211.401   24.745   94.656   26.491   94.656   26.491   94.656   26.491  211.401   34.995  211.401   34.995 -0.000000 0.000000 
1 1 1   12    0   21 o  156.183   27.311   55.871   20.377   55.871   20.377   55.871   20.377  156.183   38.624  156.183   38.624 0.000000 0.000000 
1 1 1   12    0   22 o  287.807   23.982  169.699   36.704  169.699   36.704  169.699   36.704  287.807   33.916  287.807   33.916 -0.000000 0.000000 
1 1 1   12    0   27 o  271.770   24.838  154.350   35.539  154.350   35.539  154.350   35.539  271.770   35.126  271.770   35.126 0.000000 0.000000 
1 1 1   12    0   29 o  111.411   31.332   34.463   18.610   34.463   18.610   34.463   18.610  111.411   44.311  111.411   44.311 0.000000 0.000000 
1 1 1   12    0   31 o  176.577   29.459   72.575   24.933   72.575   24.933   72.575   24.933  176.577   41.661  176.577   41.661 -0.000000 0.000000 
1 1 1   12    0   32 o  105.632   31.287   32.180   18.299   32.180   18.299   32.180   18.299  105.632   44.246  105.632   44.246 0.000000 0.000000 
1 1 1   12    0   33 o  214.397   27.650  102.075   29.495  102.075   29.495  102.075   29.495  214.397   39.102  214.397   39.102 0.000000 0.000000 
1 1 1   12    1    0 o  193.653   15.959   73.879   12.000   64.487   16.722   83.850   17.229  180.869   23.692  206.437   21.387 -25.56870 31.91704 
1 1 1   12    1    1 o  548.686   18.614  594.726   39.852  605.999   56.861  583.843   55.871  553.799   26.311  543.573   26.339 10.22516 37.22898 
1 1 1   12    1    2 o  419.168   17.100  346.485   27.971  348.574   39.573  344.400   39.540  420.442   24.119  417.894   24.246 2.548370 34.19958 
1 1 1   12    1    3 o  284.150   22.662  159.609   24.983  137.094   34.126  185.613   36.674  262.460   33.318  305.841   30.727 -43.38080 45.32433 
1 1 1   12    1    4 o  222.831   19.105   96.058   15.616   92.273   18.908  104.179   27.695  216.514   22.379  229.148   30.971 -12.63399 38.21027 
1 1 1   12    1    5 o  580.476   23.330  658.352   49.258  639.499   59.336  700.149   88.349  569.111   26.717  591.840   38.253 -22.72870 46.65929 
1 1 1   12    1    6 o  256.488   17.875  122.540   17.220  105.298   21.136  156.569   29.694  231.313   23.415  281.663   27.015 -50.34990 35.75037 
1 1 1   12    1    7 o  220.327   18.087   98.457   14.752  105.912   18.598   85.809   24.225  232.277   20.518  208.378   29.791 23.89900 36.17326 
1 1 1   12    1    8 o  208.257   16.365   69.894   12.040   48.190   13.964  132.771   23.768  156.609   22.849  259.905   23.434 -103.2957 32.72932 
1 1 1   12    1    9 o  870.310   32.316  1471.17  107.027  1718.48  176.378  1327.03  134.651  924.910   48.867  815.710   42.300 109.2002 64.63176 
1 1 1   12    1   10 o  624.873   62.535  970.492   98.750  1036.83  108.444  648.370  238.956  722.791   38.447  526.955  119.014 195.8354 125.0696 
1 1 1   12    1   11 f  145.872   24.959   55.340   13.544   66.216   14.905   3.8165   32.442  183.785   20.782  107.958   45.386 75.82754 49.91789 
1 1 1   12    1   12 o  570.652   37.595  644.671   83.720  644.671   83.720   0.0000   0.0000  570.652   37.595  ?   ?       ?      ? 
1 1 1   12    1   14 o  442.251   34.966  386.293   60.347  386.293   60.347   0.0000   0.0000  442.251   34.966  ?   ?       ?      ? 
1 1 1   12    1   15 o  1192.35   58.475  2871.32  272.087  2871.32  272.087   0.0000   0.0000  1192.35   58.475  ?   ?       ?      ? 
1 1 1   12    1   16 o  295.641   32.576  172.500   37.583  172.500   37.583   0.0000   0.0000  295.641   32.576  ?   ?       ?      ? 
1 1 1   12    1   17 o  185.426   24.408   67.545   17.662   67.545   17.662   0.0000   0.0000  185.426   24.408  ?   ?       ?      ? 
1 1 1   12    1   18 o  507.221   32.701  508.465   64.728  508.465   64.728   0.0000   0.0000  507.221   32.701  ?   ?       ?      ? 
1 1 1   12    1   19 o  377.667   33.495  187.230   32.745  161.237   34.330  449.408  109.027  285.763   30.785  469.572   59.498 -183.8086 66.99016 
1 1 1   12    1   20 o  394.754   34.119  308.765   52.560  308.765   52.560   0.0000   0.0000  394.754   34.119  ?   ?       ?      ? 
1 1 1   12    1   21 o  141.612   22.082   39.696   11.800   52.597   18.558   30.941   15.288  160.483   30.753  122.740   31.697 37.74305 44.16333 
1 1 1   12    1   22 o  456.135   35.625  414.694   63.413  414.694   63.413   0.0000   0.0000  456.135   35.625  ?   ?       ?      ? 
1 1 1   12    1   24 o  420.244   38.447  355.168   50.155  394.424  114.138  345.774   55.835  425.550   68.730  414.938   34.482 10.61264 76.89493 
1 1 1   12    1   26 o  127.608   24.596   33.369   12.358   38.861   19.830   29.881   15.803  135.639   36.611  119.577   32.854 16.06239 49.19111 
1 1 1   12    1   27 o  437.081   33.459  389.128   57.071  389.128   57.071   0.0000   0.0000  437.081   33.459  ?   ?       ?      ? 
1 1 1   12    1   28 o  233.177   23.057  110.199   20.871  127.004   30.639   95.649   28.509  250.036   31.401  216.318   33.772 33.71800 46.11435 
1 1 1   12    1   29 o  113.336   23.178   23.166   11.049   42.198   18.489   12.592   13.781  140.706   34.041   85.965   31.465 54.74106 46.35551 
1 1 1   12    1   30 o  320.435   33.689  212.499   42.128   0.0000   0.0000  212.499   42.128  ?   ?   320.435   33.689      ?      ? 
1 1 1   12    1   31 o  245.452   32.996  125.597   31.605   0.0000   0.0000  125.597   31.605  ?   ?   245.452   32.996      ?      ? 
1 1 1   12    1   33 o  299.187   24.198  188.624   28.212  202.493   40.966  176.111   38.910  309.849   33.880  288.524   34.558 21.32538 48.39508 
1 1 1   12    1   34 o  219.210   24.273  101.942   20.750  106.006   30.028   98.227   28.707  223.319   34.457  215.101   34.199 8.217880 48.54699 
1 1 1   12    2    0 o  204.947   18.165   78.389   13.804   97.675   24.523   69.444   16.701  222.126   28.290  187.768   22.792 34.35721 36.32941 
1 1 1   12    2    1 o  771.753   21.784  1182.16   65.605  1187.62   93.065  1176.76   92.496  773.516   30.831  769.991   30.783 3.524170 43.56726 
1 1 1   12    2    2 o  965.054   31.072  1860.09  108.714  1936.31  194.828  1825.63  131.006  973.374   51.291  956.733   35.089 16.64087 62.14488 
1 1 1   12    2    3 o  546.895   26.533  598.161   56.625  603.583   80.122  592.751   80.039  549.425   37.369  544.364   37.677 5.061218 53.06614 
1 1 1   12    2    4 o  517.433   22.345  518.359   41.942  497.217   50.270  566.792   76.088  501.979   25.662  532.887   36.589 -30.90839 44.69086 
1 1 1   12    2    5 o  179.652   20.726   64.762   13.006   64.546   15.611   65.254   23.519  181.160   22.081  178.145   35.080 3.015198 41.45102 
1 1 1   12    2    6 o  217.289   18.157   93.526   14.656   94.651   18.202   91.450   24.717  219.498   21.250  215.081   29.448 4.416580 36.31432 
1 1 1   12    2    7 o  573.325   22.373  660.890   48.637  844.031   69.124  481.318   68.448  654.347   27.070  492.304   35.628 162.0429 44.74539 
1 1 1   12    2    8 o  471.051   20.834  449.346   37.013  494.192   48.180  384.767   57.816  501.280   24.629  440.822   33.609 60.45831 41.66710 
1 1 1   12    2    9 o  113.655   16.341   29.122   6.5224   34.202   7.8621   17.908   11.681  132.209   15.239   95.102   28.911 37.10702 32.68142 
1 1 1   12    2   10 o  961.159   76.743  2023.58  181.971  2020.96  194.217  2042.41  520.690  1003.75   49.583  918.568  145.257 85.18231 153.4859 
1 1 1   12    2   12 o  1107.93  236.860  3780.05  993.056  3780.05  993.056   0.0000   0.0000  1107.93  236.860  ?   ?       ?      ? 
1 1 1   12    2   13 o  1069.98  216.591  3291.50  873.347  3291.50  873.347   0.0000   0.0000  1069.98  216.591  ?   ?       ?      ? 
1 1 1   12    2   14 o  735.427  135.865  1270.23  375.558  1270.23  375.558   0.0000   0.0000  735.427  135.865  ?   ?       ?      ? 
1 1 1   12    2   15 o  566.853   36.320  635.503   80.343  635.503   80.343   0.0000   0.0000  566.853   36.320  ?   ?       ?      ? 
1 1 1   12    2   16 o  386.415   33.404  294.895   50.371  294.895   50.371   0.0000   0.0000  386.415   33.404  ?   ?       ?      ? 
1 1 1   12    2   17 o  156.070   31.721   49.779   18.661   49.779   18.661   0.0000   0.0000  156.070   31.721  ?   ?       ?      ? 
1 1 1   12    2   18 o  209.950   29.783   86.933   24.401   86.933   24.401   0.0000   0.0000  209.950   29.783  ?   ?       ?      ? 
1 1 1   12    2   19 o  784.735   70.501  1419.19  135.999  1446.48  146.762  1253.34  361.805  850.552   44.216  718.919  133.889 131.6336 141.0012 
1 1 1   12    2   20 o  542.380   49.100  521.058   66.402  496.127   70.046  742.148  208.595  499.944   35.903  584.816   91.402 -84.87222 98.20021 
1 1 1   12    2   21 o  864.436   85.047  1786.45  128.032  1793.77  132.637  1686.51  490.146  949.827   35.784  779.045  166.286 170.7819 170.0930 
1 1 1   12    2   22 o  385.296   54.287  325.977   70.643  328.475   82.282  318.973  137.775  400.824   52.604  369.767   94.979 31.05795 108.5731 
1 1 1   12    2   23 o  174.835   41.311   44.853   22.648   39.195   23.923   93.754   70.329  138.234   41.229  211.436   71.600 -73.20146 82.62158 
1 1 1   12    2   24 o  411.351   59.099  336.794   76.245  297.842   84.554  506.295  176.382  375.321   57.729  447.380  103.141 -72.05881 118.1976 
1 1 1   12    2   26 o  293.523   34.141  175.064   39.106  175.064   39.106   0.0000   0.0000  293.523   34.141  ?   ?       ?      ? 
1 1 1   12    2   27 o  179.582   40.633   69.363   27.810   69.363   27.810   0.0000   0.0000  179.582   40.633  ?   ?       ?      ? 
1 1 1   12    2   28 o  515.617   63.798  607.396  128.371  607.396  128.371   0.0000   0.0000  515.617   63.798  ?   ?       ?      ? 
1 1 1   12    2   29 o  337.373   33.450  233.612   44.040  233.612   44.040   0.0000   0.0000  337.373   33.450  ?   ?       ?      ? 
1 1 1   12    2   30 f  310.564   33.305  199.519   40.364   0.0000   0.0000  199.519   40.364  ?   ?   310.564   33.305      ?      ? 
1 1 1   12    2   33 o  180.241   24.496   66.839   16.659   89.943   26.660   52.039   21.338  206.865   33.025  153.618   36.189 53.24687 48.99285 
1 1 1   12    2   34 o  257.654   24.709  141.320   24.759  143.844   36.651  139.202   33.579  258.922   36.273  256.386   33.562 2.535309 49.41804 
1 1 1   12    3    0 o  652.541   24.734  828.464   58.271  903.504  106.517  796.415   69.611  670.654   40.700  634.427   28.117 36.22662 49.46730 
1 1 1   12    3    1 o  674.239   24.048  900.533   60.502  889.289   75.098  921.329  102.129  670.220   28.713  678.258   38.585 -8.038391 48.09644 
1 1 1   12    3    2 o  419.629   23.632  350.873   38.605  323.973   54.675  377.618   54.517  403.237   34.745  436.021   32.040 -32.78296 47.26309 
1 1 1   12    3    3 o  433.668   20.736  349.850   32.338  318.171   38.130  431.009   61.031  401.794   24.318  465.542   33.594 -63.74814 41.47177 
1 1 1   12    3    4 o  900.114   33.519  1579.37  114.279  1889.99  191.383  1407.25  142.466  963.945   50.877  836.282   43.654 127.6627 67.03816 
1 1 1   12    3    5 o  392.781   19.266  309.580   28.367  324.607   35.995  284.952   46.081  406.254   22.705  379.308   31.132 26.94574 38.53153 
1 1 1   12    3    6 o  331.859   19.824  212.885   23.960  205.327   28.843  229.712   43.039  323.174   22.871  340.543   32.386 -17.36963 39.64762 
1 1 1   12    3    7 o  579.729   24.736  663.974   55.832  704.942   82.456  629.289   75.871  596.052   35.449  563.406   34.508 32.64563 49.47184 
1 1 1   12    3    8 f  543.222   24.810  580.649   52.407  647.418   77.799  525.183   70.909  571.663   34.874  514.781   35.297 56.88123 49.61972 
1 1 1   12    3    9 o  387.673   46.975  367.280   47.223  391.887   51.578  239.756  117.417  445.843   29.645  329.503   89.151 116.3398 93.95090 
1 1 1   12    3   10 o  1015.04   93.496  2325.34  202.349  2312.53  213.029  2443.54  647.200  1073.29   50.861  956.789  179.942 116.5024 186.9917 
1 1 1   12    3   11 o  563.877   61.092  759.555   81.740  789.765   87.890  566.071  222.423  631.975   35.637  495.779  116.872 136.1968 122.1843 
1 1 1   12    3   12 o  846.352   42.764  1423.60  141.240  1423.60  141.240   0.0000   0.0000  846.352   42.764  ?   ?       ?      ? 
1 1 1   12    3   13 o  505.066  103.819  566.196  197.786  566.196  197.786   0.0000   0.0000  505.066  103.819  ?   ?       ?      ? 
1 1 1   12    3   14 o  305.931   80.702  201.509   97.737  201.509   97.737   0.0000   0.0000  305.931   80.702  ?   ?       ?      ? 
1 1 1   12    3   15 o  916.067  173.684  2171.24  598.174  2171.24  598.174   0.0000   0.0000  916.067  173.684  ?   ?       ?      ? 
1 1 1   12    3   16 o  558.435   37.476  617.944   81.668  617.944   81.668   0.0000   0.0000  558.435   37.476  ?   ?       ?      ? 
1 1 1   12    3   17 o  523.597   35.926  542.996   73.407  542.996   73.407   0.0000   0.0000  523.597   35.926  ?   ?       ?      ? 
1 1 1   12    3   18 o  589.613   37.707  690.138   86.760  690.138   86.760   0.0000   0.0000  589.613   37.707  ?   ?       ?      ? 
1 1 1   12    3   19 o  261.866   54.469  146.842   59.165  153.227   88.171  141.613   79.798  266.690   79.063  257.042   74.943 9.648132 108.9377 
1 1 1   12    3   20 o   76.792   35.067 -15.0437   23.395 -15.0437   23.395   0.0000   0.0000   76.792   35.067  ?   ?       ?      ? 
1 1 1   12    3   21 o  427.290   47.885  360.198   42.416  355.080   44.227  418.876  149.746  424.294   26.711  430.285   91.969 -5.990967 95.76905 
1 1 1   12    3   22 o  150.084   35.002   46.004   22.465   52.640   25.376   21.952   48.309  158.928   40.729  141.239   56.936 17.68900 70.00427 
1 1 1   12    3   23 o  163.639   40.432   40.863   24.326   34.881   26.329   75.747   63.581  133.160   43.782  194.119   67.987 -60.95938 80.86442 
1 1 1   12    3   24 o  528.526   57.514  560.369   57.104  547.803   59.054  741.256  224.059  524.239   28.866  532.814  111.346 -8.575623 115.0272 
1 1 1   12    3   25 o  339.018   29.616  230.376   39.182  230.376   39.182   0.0000   0.0000  339.018   29.616  ?   ?       ?      ? 
1 1 1   12    3   26 o  165.951   46.714   38.434   26.463   36.418   27.365   67.504  103.900  133.978   44.663  197.923   82.061 -63.94583 93.42838 
1 1 1   12    3   27 o  280.903   31.722  160.149   34.773  160.149   34.773   0.0000   0.0000  280.903   31.722  ?   ?       ?      ? 
1 1 1   12    3   28 o  351.406   57.472  252.431   40.000  243.631   41.148  403.550  170.510  346.615   30.421  356.196  110.846 -9.580902 114.9443 
1 1 1   12    3   29 o  340.872   58.825  238.103   40.716  228.122   41.849  414.869  176.119  333.889   32.118  347.856  113.180 -13.96609 117.6492 
1 1 1   12    3   30 o  236.743   51.276  131.167   36.199  129.556   37.438  154.296  141.861  247.536   38.757  225.950   94.945 21.58673 102.5511 
1 1 1   12    3   31 o  202.731   83.485  116.285  106.533   0.0000   0.0000  116.285  106.533  ?   ?   202.731   83.485      ?      ? 
1 1 1   12    3   32 o  226.914   42.592  148.377   33.226  156.883   35.064   73.552  103.994  273.558   32.846  180.271   78.596 93.28653 85.18351 
1 1 1   12    3   33 o  282.972   49.871  233.976   41.300  237.724   43.398  198.018  134.432  336.198   33.079  229.745   94.098 106.4536 99.74290 
1 1 1   12    3   34 o  235.096   47.377  151.471   35.260  152.226   36.670  142.223  128.370  266.941   35.202  203.251   87.973 63.68939 94.75441 
1 1 1   12    4    0 o  336.614   21.885  220.523   28.476  264.956   43.678  187.676   37.554  365.621   30.613  307.608   31.284 58.01218 43.77049 
1 1 1   12    4    1 o  758.803   30.086  1134.56   87.634  1283.84  139.872  1038.09  112.438  797.793   44.927  719.813   40.028 77.98071 60.17197 
1 1 1   12    4    2 o  417.816   33.201  346.806   54.134   0.0000   0.0000  346.806   54.134  ?   ?   417.816   33.201      ?      ? 
1 1 1   12    4    3 o  756.851   26.553  1164.42   75.165  1227.37   95.340  1061.04  122.186  787.045   31.041  726.658   43.088 60.38702 53.10542 
1 1 1   12    4    4 o  360.314   27.277  256.205   38.354   0.0000   0.0000  256.205   38.354  ?   ?   360.314   27.277      ?      ? 
1 1 1   12    4    5 o  738.999   72.597  1216.60  119.105  1234.60  366.089  1214.47  125.957  698.664  139.161  779.334   41.416 -80.67029 145.1932 
1 1 1   12    4    6 o  266.718   23.423  143.474   23.876  170.251   33.036  114.190   34.547  293.735   28.820  239.702   36.933 54.03258 46.84676 
1 1 1   12    4    7 o  351.865   46.788  281.918   42.561  290.780   45.873  227.107  114.081  383.742   30.633  319.987   88.420 63.75436 93.57561 
1 1 1   12    4    8 o  329.144   29.620  213.623   38.045  213.623   38.045   0.0000   0.0000  329.144   29.620  ?   ?       ?      ? 
1 1 1   12    4    9 o  315.099   29.763  195.685   36.598  195.685   36.598   0.0000   0.0000  315.099   29.763  ?   ?       ?      ? 
1 1 1   12    4   10 o  1110.90   51.706  2477.63  224.155  2477.63  224.155   0.0000   0.0000  1110.90   51.706  ?   ?       ?      ? 
1 1 1   12    4   11 o  512.128   56.939  667.007   73.385  720.645   80.416  399.874  179.461  604.119   34.110  420.137  108.649 183.9813 113.8776 
1 1 1   12    4   12 o  912.617   84.350  2099.69  179.149  2198.29  193.481  1507.15  474.304  1049.74   47.231  775.497  161.953 274.2383 168.6997 
1 1 1   12    4   13 o  717.516   37.022  1018.29  103.663  1018.29  103.663   0.0000   0.0000  717.516   37.022  ?   ?       ?      ? 
1 1 1   12    4   17 o  616.888  120.701  887.815  280.165  887.815  280.165   0.0000   0.0000  616.888  120.701  ?   ?       ?      ? 
1 1 1   12    4   18 o  366.457   47.669  315.636   37.143  323.436   38.975  238.456  122.599  405.616   24.623  327.297   92.103 78.31876 95.33710 
1 1 1   12    4   19 o  356.824   44.691  293.969   36.178  301.862   38.321  229.246  109.733  391.735   25.068  321.913   85.796 69.82214 89.38284 
1 1 1   12    4   20 o  363.613   45.975  326.108   37.277  339.387   39.486  217.329  113.018  415.336   24.362  311.890   88.664 103.4459 91.95002 
1 1 1   12    4   21 f  193.268   33.261   89.276   21.408   98.479   23.502   44.414   51.889  223.379   26.960  163.158   60.813 60.22084 66.52134 
1 1 1   12    4   22 o   93.578   28.037  -3.4769   15.137  -9.7423   17.142   18.715   32.261   66.809   30.317  120.347   47.172 -53.53803 56.07442 
1 1 1   12    4   23 o  278.703   39.580  236.785   32.440  269.244   35.192   53.242   83.683  369.002   24.439  188.404   75.293 180.5982 79.15978 
1 1 1   12    4   24 o  522.159   59.379  604.162   58.853  599.373   61.103  665.631  218.906  548.226   28.561  496.091  115.271 52.13562 118.7571 
1 1 1   12    4   25 o  324.979   42.208  217.927   53.528  217.927   53.528   0.0000   0.0000  324.979   42.208  ?   ?       ?      ? 
1 1 1   12    4   26 o  124.524   39.882   7.4682   22.305   9.0759   23.015 -17.3877   90.494   95.995   39.082  153.053   69.532 -57.05881 79.76305 
1 1 1   12    4   27 f  218.089   46.895  108.913   28.716  111.340   29.439   61.310  130.375  234.011   32.237  202.167   88.077 31.84357 93.79085 
1 1 1   12    4   28 o  346.609   44.293  254.268   59.912  254.268   59.912   0.0000   0.0000  346.609   44.293  ?   ?       ?      ? 
1 1 1   12    4   29 o  170.667   47.446   59.106   34.017   65.296   35.024 -43.8997  142.879  170.396   49.641  170.938   80.872 -0.5419617 94.89226 
1 1 1   12    4   30 o  288.738  113.353  348.682  186.537   0.0000   0.0000  348.682  186.537  ?   ?   288.738  113.353      ?      ? 
1 1 1   12    4   31 o  183.520   48.151   40.771   28.482   27.280   29.753  188.536   98.470  120.776   45.827  246.263   84.700 -125.4875 96.30274 
1 1 1   12    4   32 o  173.107   44.683   64.986   29.058   63.685   30.519   77.605   95.058  165.994   45.678  180.220   76.811 -14.22607 89.36656 
1 1 1   12    4   33 o  193.318   37.917  112.779   32.541  130.023   34.145 -57.9851  107.448  247.259   35.387  139.377   67.070 107.8812 75.83311 
1 1 1   12    4   34 o  125.552   42.659 -60.7142   59.626 -97.8781   78.588 -10.2990   91.533  109.603   53.766  141.501   66.246 -31.89796 85.31890 
1 1 1   12    5    0 f  280.656   78.790  173.891   89.830   0.0000   0.0000  173.891   89.830  ?   ?   280.656   78.790      ?      ? 
1 1 1   12    5    1 o  176.206   18.306   62.427   11.301   63.018   13.643   61.134   20.173  179.189   19.510  173.223   30.980 5.966003 36.61171 
1 1 1   12    5    2 o  339.676   23.839  230.526   31.365  203.673   45.092  255.695   43.655  319.960   36.114  359.392   31.127 -39.43124 47.67704 
1 1 1   12    5    3 o  549.061   23.980  587.745   50.918  682.576   78.611  519.205   66.832  586.438   34.350  511.684   33.469 74.75378 47.95983 
1 1 1   12    5    4 o  443.308   23.086  388.372   39.892  413.771   57.846  365.337   55.088  457.145   32.425  429.471   32.870 27.67401 46.17155 
1 1 1   12    5    5 o  833.649   82.281  1576.80  146.065  1606.13  466.331  1573.60  153.805  780.906  158.442  886.393   44.464 -105.4869 164.5625 
1 1 1   12    5    6 o  317.829   56.703  219.738   70.951  177.056   98.093  266.568  102.749  285.038   83.087  350.620   77.185 -65.58182 113.4066 
1 1 1   12    5    7 o  1002.46   90.119  2216.93  195.148  2190.16  205.406  2465.05  625.321  1043.53   50.440  961.399  173.037 82.12836 180.2388 
1 1 1   12    5    8 o  161.103   28.393   57.791   16.615   64.651   18.942   34.909   34.596  181.280   26.776  140.926   50.076 40.35385 56.78555 
1 1 1   12    5    9 o  198.378   28.223  102.297   19.317  127.905   22.612   33.149   37.158  255.313   22.696  141.443   51.682 113.8700 56.44542 
1 1 1   12    5   10 o  521.042   46.204  418.824   58.246  387.670   60.892  754.099  199.761  442.871   35.233  599.213   85.428 -156.3416 92.40816 
1 1 1   12    5   11 o  395.015   48.771  322.233   45.825  321.644   48.600  326.946  137.583  404.072   30.821  385.957   92.544 18.11542 97.54174 
1 1 1   12    5   12 o  364.756   31.867  262.234   45.360  262.234   45.360   0.0000   0.0000  364.756   31.867  ?   ?       ?      ? 
1 1 1   12    5   13 o   95.864   35.278   14.436   17.358   14.436   17.358   0.0000   0.0000   95.864   35.278  ?   ?       ?      ? 
1 1 1   12    5   14 o  255.647   55.008  136.236   53.251  136.236   53.251   0.0000   0.0000  255.647   55.008  ?   ?       ?      ? 
1 1 1   12    5   15 o  453.027   61.082  416.831  107.986  416.831  107.986   0.0000   0.0000  453.027   61.082  ?   ?       ?      ? 
1 1 1   12    5   16 o  128.902   28.424   33.987   13.914   33.987   13.914   0.0000   0.0000  128.902   28.424  ?   ?       ?      ? 
1 1 1   12    5   17 o  666.469   37.707  881.608   98.070  881.608   98.070   0.0000   0.0000  666.469   37.707  ?   ?       ?      ? 
1 1 1   12    5   18 f  1323.75  165.485  5311.53  413.506  5289.41  431.234  5564.08  1457.18  1599.05   69.107  1048.45  323.675 550.5897 330.9705 
1 1 1   12    5   19 o  186.547   33.306   81.963   19.973   88.944   21.525   38.740   53.561  212.557   25.950  160.537   61.348 52.01996 66.61108 
1 1 1   12    5   20 o  392.969   49.127  396.121   42.680  415.195   45.258  242.861  128.290  459.169   25.258  326.770   94.953 132.3990 98.25450 
1 1 1   12    5   21 o  223.074   44.450  108.034   40.257  118.122   51.708   92.510   64.143  235.339   56.924  210.810   68.284 24.52898 88.89920 
1 1 1   12    5   22 o  574.345   28.039  653.679   62.844  653.679   62.844   0.0000   0.0000  574.345   28.039  ?   ?       ?      ? 
1 1 1   12    5   23 o  198.859   36.635   94.530   22.751  100.867   24.179   45.593   67.194  225.350   27.495  172.369   67.916 52.98033 73.27037 
1 1 1   12    5   24 o  439.207   27.562  384.561   47.240  384.561   47.240   0.0000   0.0000  439.207   27.562  ?   ?       ?      ? 
1 1 1   12    5   25 o  539.933   28.458  584.407   59.963  584.407   59.963   0.0000   0.0000  539.933   28.458  ?   ?       ?      ? 
1 1 1   12    5   26 o  242.284   43.205  167.351   32.200  179.171   33.609   35.144  112.401  298.310   28.871  186.259   81.445 112.0506 86.41075 
1 1 1   12    5   27 o  147.946   44.982   19.800   21.035   18.099   21.475   60.058  104.484  104.370   39.079  191.523   81.034 -87.15350 89.96431 
1 1 1   12    5   28 o  310.362  118.781  354.584  200.977   0.0000   0.0000  354.584  200.977  ?   ?   310.362  118.781      ?      ? 
1 1 1   12    5   29 o  139.048   48.696 -30.6794   33.522 -34.4365   34.376   42.110  151.311   83.403   39.520  194.693   89.013 -111.2902 97.39114 
1 1 1   12    5   30 o  192.422   52.155   85.700   40.857   87.933   42.256   53.664  160.079  192.520   54.036  192.325   89.223 0.1948547 104.3097 
1 1 1   12    5   31 o  169.822   48.781   58.178   31.671   59.762   32.309   19.239  160.193  160.577   47.918  179.067   84.983 -18.49001 97.56138 
1 1 1   12    5   32 o  330.884   56.583  417.511   82.003  458.490   88.988  186.805  211.146  445.815   51.150  215.952  100.947 229.8626 113.1661 
1 1 1   12    5   33 o  169.070   50.554   63.753   59.248   89.750   67.526 -23.2045  123.499  183.505   69.180  154.635   73.735 28.87016 101.1076 
1 1 1   12    5   34 o  247.841   51.624  163.400   39.775  158.785   41.388  219.183  143.900  269.142   39.406  226.540   95.432 42.60194 103.2476 
1 1 1   12    6    0 o  183.885   26.777   68.943   18.916   85.415   27.026   53.124   26.484  207.627   33.355  160.143   41.897 47.48370 53.55320 
1 1 1   12    6    1 o  320.109   44.194  211.863   37.726  210.976   40.590  217.495  102.254  326.540   31.853  313.677   82.450 12.86230 88.38860 
1 1 1   12    6    2 o  227.876   21.930  102.647   19.501  102.271   27.478  103.029   27.682  227.460   30.956  228.292   31.072 -0.8312073 43.86056 
1 1 1   12    6    3 o  313.296   21.457  193.877   26.231  193.344   37.279  194.400   36.916  312.845   30.536  313.747   30.151 -0.9019470 42.91312 
1 1 1   12    6    4 o  541.986   50.221  513.938   69.679  485.354   73.702  754.494  213.810  494.108   38.223  589.863   92.885 -95.75479 100.4421 
1 1 1   12    6    5 o  485.920   44.860  368.580   57.310  334.338   60.521  665.796  178.305  410.321   37.796  561.518   81.371 -151.1967 89.72033 
1 1 1   12    6    6 o  254.030   41.832  120.668   31.166  115.316   33.670  152.694   82.362  241.273   35.760  266.787   75.636 -25.51434 83.66399 
1 1 1   12    6    7 o  558.797   78.842  711.044  165.875  672.165  231.672  751.941  237.605  541.466  113.280  576.128  109.690 -34.66156 157.6836 
1 1 1   12    6    8 o  356.577   87.176  278.312  120.290  278.312  120.290   0.0000   0.0000  356.577   87.176  ?   ?       ?      ? 
1 1 1   12    6    9 o  516.677   35.272  527.682   71.118  527.682   71.118   0.0000   0.0000  516.677   35.272  ?   ?       ?      ? 
1 1 1   12    6   10 o  711.507   66.130  1134.20  107.607  1150.78  114.525  1009.26  314.385  762.255   38.501  660.759  126.531 101.4963 132.2592 
1 1 1   12    6   11 o  144.058   35.610   37.904   25.162   50.213   30.315   10.645   45.113  157.350   46.282  130.766   54.133 26.58446 71.22095 
1 1 1   12    6   12 o  236.634   44.409  127.057   42.519  155.064   51.447   66.699   75.526  274.548   49.855  198.720   73.506 75.82738 88.81768 
1 1 1   12    6   13 o  797.641   82.737  1455.32  235.165  1545.64  295.400  1299.02  388.586  856.395   88.390  738.887  139.888 117.5076 165.4732 
1 1 1   12    6   14 o  308.822   56.929  198.030   66.080  198.030   66.080   0.0000   0.0000  308.822   56.929  ?   ?       ?      ? 
1 1 1   12    6   15 o  617.198   70.523  785.060  169.858  785.060  169.858   0.0000   0.0000  617.198   70.523  ?   ?       ?      ? 
1 1 1   12    6   16 o  337.709   55.387  230.622   72.994  230.622   72.994   0.0000   0.0000  337.709   55.387  ?   ?       ?      ? 
1 1 1   12    6   17 o  407.457   94.277  371.219  146.931  371.219  146.931   0.0000   0.0000  407.457   94.277  ?   ?       ?      ? 
1 1 1   12    6   18 f  370.168   51.077  323.841   46.365  334.896   49.425  242.772  133.845  411.791   30.757  328.545   97.414 83.24573 102.1541 
1 1 1   12    6   19 o  448.954   32.687  399.070   57.268  399.070   57.268   0.0000   0.0000  448.954   32.687  ?   ?       ?      ? 
1 1 1   12    6   20 o  695.796   30.638  958.220   83.191  958.220   83.191   0.0000   0.0000  695.796   30.638  ?   ?       ?      ? 
1 1 1   12    6   21 o  198.834   33.925  103.750   22.196  116.292   23.912   25.670   59.663  242.754   25.242  154.913   62.980 87.84126 67.85059 
1 1 1   12    6   22 o  291.393   28.087  168.455   31.938  168.455   31.938   0.0000   0.0000  291.393   28.087  ?   ?       ?      ? 
1 1 1   12    6   23 o  583.396   28.321  677.677   64.476  677.677   64.476   0.0000   0.0000  583.396   28.321  ?   ?       ?      ? 
1 1 1   12    6   24 o  372.386   50.675  396.767   44.299  420.438   47.050  211.888  131.491  459.397   26.245  285.375   97.893 174.0226 101.3499 
1 1 1   12    6   25 o  221.638   40.055  136.161   28.217  147.346   29.554   20.834   94.899  271.072   27.938  172.204   75.080 98.86806 80.10926 
1 1 1   12    6   26 o  199.014   41.342   94.855   25.418   99.476   26.285   28.255   99.781  221.800   30.368  176.229   76.906 45.57059 82.68494 
1 1 1   12    6   27 o  245.479   46.205  164.491   32.659  171.661   33.732   57.206  130.482  291.302   29.674  199.656   87.516 91.64520 92.40954 
1 1 1   12    6   28 o  250.933   49.278  175.248   40.784  184.273   42.313   57.162  153.060  298.424   36.334  203.443   91.615 94.98135 98.55661 
1 1 1   12    6   29 o  154.423   50.747   3.6010   44.160  -0.9197   46.405   46.958  143.712  116.998   51.702  191.847   87.337 -74.84894 101.4931 
1 1 1   12    6   30 o  119.346   38.128   13.748   24.633   22.781   25.038 -258.2063  137.384  112.093   42.152  126.599   63.546 -14.50568 76.25571 
1 1 1   12    6   31 o  260.612   51.875  211.072   52.665  220.382   55.770  134.381  160.066  314.697   45.413  206.529   93.282 108.1679 103.7493 
1 1 1   12    6   32 o  174.529   47.114   71.678   33.584   75.547   34.470  -0.6545  149.054  179.314   48.215  169.744   80.958 9.570221 94.22797 
1 1 1   12    6   33 o  207.455   49.260  109.688   35.876  108.632   37.265  123.054  132.609  217.083   45.447  197.826   87.412 19.25694 98.52052 
1 1 1   12    7    0 o  446.304   24.043  394.184   41.857  410.291   59.794  378.708   58.613  455.306   33.653  437.303   34.346 18.00363 48.08520 
1 1 1   12    7    1 o  504.453   54.982  525.209   65.991  560.438  195.440  520.676   70.109  496.283  104.230  512.623   35.046 -16.34021 109.9647 
1 1 1   12    7    2 o  565.378   58.372  659.680   76.926  653.118   81.513  713.111  232.604  573.838   36.400  556.918  110.924 16.91919 116.7439 
1 1 1   12    7    3 o  352.563   45.095  295.329   43.137  313.425   47.308  206.077  105.064  398.545   30.418  306.581   84.907 91.96359 90.19083 
1 1 1   12    7    4 o  608.804   61.129  815.091   88.531  822.589   94.584  762.072  251.513  643.888   37.642  573.720  116.320 70.16870 122.2588 
1 1 1   12    7    5 f  292.499   38.716  188.711   32.424  195.866   35.762  155.652   76.866  315.296   29.065  269.702   71.771 45.59430 77.43299 
1 1 1   12    7    6 o  512.417   47.632  462.264   61.349  440.846   64.782  648.409  190.982  472.076   35.165  552.758   88.537 -80.68274 95.26492 
1 1 1   12    7    7 o  459.589   48.962  375.805   59.064  353.318   63.073  536.024  168.358  422.213   38.281  496.965   90.130 -74.75162 97.92303 
1 1 1   12    7    8 o  540.134   54.581  554.079   75.147  534.374   80.228  695.016  214.564  519.102   39.604  561.165  101.725 -42.06274 109.1629 
1 1 1   12    7    9 o  459.532   69.603  465.024  121.333  384.688  167.853  552.934  175.589  414.308  103.981  504.755   92.553 -90.44696 139.2057 
1 1 1   12    7   10 o  551.120   74.294  663.137  156.150  565.095  213.734  775.373  228.683  499.677  112.340  602.563   97.252 -102.8862 148.5876 
1 1 1   12    7   11 o  625.382   62.236  806.831  142.957  776.847  173.894  869.347  251.090  615.044   72.451  635.720  101.212 -20.67609 124.4711 
1 1 1   12    7   12 o  946.901   98.695  1923.26  364.695  1923.26  364.695   0.0000   0.0000  946.901   98.695  ?   ?       ?      ? 
1 1 1   12    7   13 o  497.167   59.813  500.574  116.045  500.574  116.045   0.0000   0.0000  497.167   59.813  ?   ?       ?      ? 
1 1 1   12    7   14 o  608.847   71.267  764.237  169.329  764.237  169.329   0.0000   0.0000  608.847   71.267  ?   ?       ?      ? 
1 1 1   12    7   15 o  565.472  113.406  733.634  241.543  733.634  241.543   0.0000   0.0000  565.472  113.406  ?   ?       ?      ? 
1 1 1   12    7   16 o  297.478   82.054  192.985   98.347  192.985   98.347   0.0000   0.0000  297.478   82.054  ?   ?       ?      ? 
1 1 1   12    7   17 f  243.219   76.735  124.276   81.410  124.276   81.410   0.0000   0.0000  243.219   76.735  ?   ?       ?      ? 
1 1 1   12    7   18 o  778.803  155.532  1580.51  456.147  1580.51  456.147   0.0000   0.0000  778.803  155.532  ?   ?       ?      ? 
1 1 1   12    7   19 o  510.828   36.292  518.876   72.346  518.876   72.346   0.0000   0.0000  510.828   36.292  ?   ?       ?      ? 
1 1 1   12    7   20 o  407.921   31.981  330.145   50.910  330.145   50.910   0.0000   0.0000  407.921   31.981  ?   ?       ?      ? 
1 1 1   12    7   21 o   92.761   30.179   16.545   12.522   16.545   12.522   0.0000   0.0000   92.761   30.179  ?   ?       ?      ? 
1 1 1   12    7   22 o  545.079   28.685  590.771   61.016  590.771   61.016   0.0000   0.0000  545.079   28.685  ?   ?       ?      ? 
1 1 1   12    7   23 f  711.406   30.876  1013.49   85.718  1013.49   85.718   0.0000   0.0000  711.406   30.876  ?   ?       ?      ? 
1 1 1   12    7   24 o  465.956   28.344  434.759   51.540  434.759   51.540   0.0000   0.0000  465.956   28.344  ?   ?       ?      ? 
1 1 1   12    7   25 o  253.308   40.333  202.101   33.243  225.098   35.193   11.593  101.291  335.159   26.907  171.457   76.046 163.7021 80.66624 
1 1 1   12    7   26 o  604.138   29.810  737.732   70.281  737.732   70.281   0.0000   0.0000  604.138   29.810  ?   ?       ?      ? 
1 1 1   12    7   27 o  326.901  112.684  355.516  174.329   0.0000   0.0000  355.516  174.329  ?   ?   326.901  112.684      ?      ? 
1 1 1   12    7   28 o  477.401   67.770  772.777  105.659  857.435  118.908  455.116  230.334  628.375   48.491  326.427  126.569 301.9481 135.5400 
1 1 1   12    7   29 o  171.415   46.023   61.102   28.112   63.854   28.729  -0.9188  136.385  169.040   43.346  173.790   81.202 -4.750961 92.04672 
1 1 1   12    7   30 o  219.335   97.608  167.054  168.235   0.0000   0.0000  167.054  168.235  ?   ?   219.335   97.608      ?      ? 
1 1 1   12    7   31 o  177.956   49.393   69.627   33.185   71.126   33.878   34.119  164.868  174.211   48.203  181.700   86.227 -7.488663 98.78547 
1 1 1   12    7   32 o  192.522   47.779   94.245   34.485   96.904   35.489   49.203  146.071  205.216   45.507  179.828   84.027 25.38820 95.55885 
1 1 1   12    7   33 o  232.238   44.071  170.635   39.480  183.068   41.389   45.112  131.511  291.978   36.325  172.499   80.309 119.4781 88.14240 
1 1 1   12    8    0 o  412.766   49.874  364.997   52.415  368.062   56.369  345.420  142.449  431.516   33.474  394.016   93.964 37.50043 99.74829 
1 1 1   12    8    1 o  137.437   35.469   31.171   24.722   35.021   36.069   27.760   33.951  142.314   51.071  132.560   49.233 9.753799 70.93783 
1 1 1   12    8    2 o  281.258   41.176  163.980   33.381  164.553   36.404  160.951   83.673  288.680   32.314  273.836   75.747 14.84415 82.35218 
1 1 1   12    8    3 o  399.932   48.155  352.898   50.216  361.103   54.412  305.768  130.403  427.640   32.605  372.224   90.624 55.41583 96.31056 
1 1 1   12    8    4 o  303.417   33.854  181.907   40.084  181.907   40.084   0.0000   0.0000  303.417   33.854  ?   ?       ?      ? 
1 1 1   12    8    5 f  418.111   48.489  379.685   52.798  386.423   57.196  340.861  137.297  442.411   33.129  393.810   91.143 48.60043 96.97736 
1 1 1   12    8    6 f  196.745   30.958   90.915   22.253  109.413   26.395   45.442   41.383  235.783   28.686  157.708   54.871 78.07520 61.91687 
1 1 1   12    8    7 o  510.332   51.457  528.135   66.675  523.150   71.551  561.009  183.755  514.469   35.639  506.195   96.546 8.273529 102.9140 
1 1 1   12    8    8 o  377.335   63.196  310.716   91.632  319.353  130.009  302.190  129.171  382.838   88.751  371.833   89.989 11.00497 126.3915 
1 1 1   12    8    9 o  454.789   57.031  425.897   93.373  405.529  113.876  467.689  163.116  446.467   65.360  463.112   93.479 -16.64478 114.0620 
1 1 1   12    8   10 o  317.104   49.938  202.448   57.210  180.957   69.285  248.498  101.421  293.736   62.371  340.473   78.007 -46.73749 99.87550 
1 1 1   12    8   11 o  544.400   57.825  595.193  115.299  554.514  138.890  685.375  206.797  520.827   68.335  567.972   93.301 -47.14514 115.6494 
1 1 1   12    8   12 o  283.036   47.235  174.308   50.046  190.682   60.595  139.174   88.762  308.506   50.332  257.567   79.947 50.93927 94.47087 
1 1 1   12    8   13 o  557.183   70.616  736.561  138.070  871.184  173.748  505.872  227.443  651.551   68.334  462.815  123.599 188.7364 141.2314 
1 1 1   12    8   14 o  555.847   65.950  633.238  143.055  633.238  143.055   0.0000   0.0000  555.847   65.950  ?   ?       ?      ? 
1 1 1   12    8   15 o  550.174   63.938  619.770  137.275  619.770  137.275   0.0000   0.0000  550.174   63.938  ?   ?       ?      ? 
1 1 1   12    8   16 o  258.099   54.983  133.847   50.378  131.481   55.511  144.897  119.953  249.661   58.072  266.537   93.381 -16.87582 109.9652 
1 1 1   12    8   17 o  433.777   56.984  371.054   84.054  333.680   97.120  482.599  167.782  403.646   61.656  463.908   95.850 -60.26154 113.9680 
1 1 1   12    8   18 o  181.446   46.402   59.380   37.216   63.751   41.539   41.600   83.784  176.779   54.661  186.114   74.998 -9.334686 92.80333 
1 1 1   12    8   19 o  237.772   53.272  119.835   53.066  122.815   63.557  112.975   96.424  238.937   65.986  236.607   83.652 2.330353 106.5448 
1 1 1   12    8   20 o  288.780   46.891  195.574   35.271  201.471   37.303  145.828  108.350  318.748   29.989  258.813   88.857 59.93488 93.78159 
1 1 1   12    8   21 o  485.255   33.855  470.717   64.111  470.717   64.111   0.0000   0.0000  485.255   33.855  ?   ?       ?      ? 
1 1 1   12    8   22 o  430.771   28.741  369.685   48.315  369.685   48.315   0.0000   0.0000  430.771   28.741  ?   ?       ?      ? 
1 1 1   12    8   23 o  201.491   38.157   82.929   21.752   82.638   22.931   85.542   68.734  203.245   28.911  199.737   70.625 3.508408 76.31389 
1 1 1   12    8   24 o  193.252   37.825   89.395   23.150   94.575   24.334   40.010   75.135  217.040   28.730  169.464   69.983 47.57629 75.65084 
1 1 1   12    8   25 o  602.295   30.046  732.734   70.619  732.734   70.619   0.0000   0.0000  602.295   30.046  ?   ?       ?      ? 
1 1 1   12    8   26 o  545.209   51.665  644.025  109.923  644.025  109.923   0.0000   0.0000  545.209   51.665  ?   ?       ?      ? 
1 1 1   12    8   27 o  138.108   62.833 -15.8673   74.236   0.0000   0.0000 -15.8673   74.236  ?   ?   138.108   62.833      ?      ? 
1 1 1   12    8   28 o  216.018   43.707  126.734   32.837  135.272   34.070   15.051  123.217  255.803   34.129  176.232   80.476 79.57133 87.41412 
1 1 1   12    8   29 o  122.193   39.116   13.096   19.657   14.422   20.087 -16.9281   95.579   96.511   37.389  147.875   68.718 -51.36422 78.23134 
1 1 1   12    8   30 o  224.396   42.112  146.303   48.692  204.143   57.530   0.2376   91.423  300.125   49.120  148.668   68.418 151.4569 84.22482 
1 1 1   12    8   31 o  269.586   51.353  238.629   63.904  276.951   72.599  106.768  134.668  343.274   54.195  195.899   87.243 147.3752 102.7052 
1 1 1   12    8   32 o  233.532   38.775  192.812   40.348  222.388   42.230 -117.0246  136.683  324.760   33.321  142.304   70.026 182.4559 77.54957 
1 1 1   12    8   33 o  349.647   57.849  154.943   39.976  124.363   40.905  806.023  188.740  230.475   47.071  468.820  105.689 -238.3450 115.6975 
1 1 1   12    9    0 o  481.626   53.321  507.773   64.454  516.016   69.431  456.377  173.366  510.943   34.822  452.309  100.797 58.63406 106.6418 
1 1 1   12    9    1 o  533.352  107.962  639.818  216.997   0.0000   0.0000  639.818  216.997  ?   ?   533.352  107.962      ?      ? 
1 1 1   12    9    2 f  447.493   48.952  427.760   56.910  432.604   61.607  399.579  148.602  468.036   33.730  426.949   91.910 41.08762 97.90417 
1 1 1   12    9    3 o  374.871   44.726  302.250   45.645  307.953   49.855  272.699  113.487  395.107   32.334  354.635   83.403 40.47238 89.45157 
1 1 1   12    9    4 o  441.609   30.544  384.201   52.638  384.201   52.638   0.0000   0.0000  441.609   30.544  ?   ?       ?      ? 
1 1 1   12    9    5 o  453.145   49.487  368.867   56.908  350.239   60.499  511.948  167.673  420.773   36.844  485.516   91.861 -64.74362 98.97466 
1 1 1   12    9    6 o  190.736   44.348   71.416   38.210   74.462   54.068   68.377   54.007  193.641   62.689  187.831   62.747 5.810074 88.69684 
1 1 1   12    9    7 o  832.231  102.549  1628.79  323.890  1395.52  436.677  1914.06  482.904  754.517  153.529  909.945  135.992 -155.4280 205.0979 
1 1 1   12    9    8 o  916.026  110.113  1983.31  378.764  1567.99  494.180  2574.69  589.695  787.309  166.070  1044.74  144.639 -257.4337 220.2267 
1 1 1   12    9    9 o  621.537  118.889  878.764  277.856  878.764  277.856   0.0000   0.0000  621.537  118.889  ?   ?       ?      ? 
1 1 1   12    9   10 f  718.381   80.487  1074.04  225.637  1074.04  225.637   0.0000   0.0000  718.381   80.487  ?   ?       ?      ? 
1 1 1   12    9   11 o  512.440   58.837  541.908  107.460  514.743  129.982  600.569  191.007  501.982   66.354  522.899   97.182 -20.91647 117.6741 
1 1 1   12    9   12 o  284.467   48.710  168.045   49.750  163.064   58.890  180.458   92.973  279.714   55.906  289.221   79.782 -9.507355 97.41980 
1 1 1   12    9   13 o  576.712   67.681  743.637  136.600  780.712  167.343  669.601  236.476  615.476   69.673  537.949  116.054 77.52759 135.3618 
1 1 1   12    9   14 o  608.206   74.359  769.847  176.489  769.847  176.489   0.0000   0.0000  608.206   74.359  ?   ?       ?      ? 
1 1 1   12    9   15 o  1124.86  128.145  2974.50  562.511  2974.50  562.511   0.0000   0.0000  1124.86  128.145  ?   ?       ?      ? 
1 1 1   12    9   16 o  522.498   63.839  576.256  113.545  551.748  133.070  641.875  217.744  517.436   65.901  527.559  109.356 -10.12366 127.6783 
1 1 1   12    9   17 o  208.839   47.798   95.450   50.929  137.375   56.369 -90.8779  118.834  254.808   57.992  162.871   75.998 91.93692 95.59674 
1 1 1   12    9   18 f  767.327   90.601  1440.03  243.559  1456.07  297.513  1407.44  424.099  811.506   93.947  723.148  154.945 88.35809 181.2018 
1 1 1   12    9   19 o  407.631   64.732  402.591   97.725  450.759  118.761  301.578  171.983  463.728   65.626  351.534  111.597 112.1937 129.4633 
1 1 1   12    9   20 o  370.305   64.385  313.861   87.485  298.710  105.415  347.389  156.814  365.050   76.448  375.560  103.620 -10.51031 128.7692 
1 1 1   12    9   21 f  398.372   70.621  385.464  112.229  543.051  170.567  265.154  149.034  473.881   95.533  322.864  104.033 151.0172 141.2426 
1 1 1   12    9   22 o  527.589   31.663  558.493   65.190  558.493   65.190   0.0000   0.0000  527.589   31.663  ?   ?       ?      ? 
1 1 1   12    9   23 o  189.625   52.479   67.042   57.005   46.518   84.728   84.014   77.051  179.738   74.278  199.512   74.156 -19.77478 104.9588 
1 1 1   12    9   24 o  369.707   79.961  353.738  115.326  624.099  225.901  258.437  134.121  436.364  125.770  303.050   98.776 133.3144 159.9211 
1 1 1   12    9   25 o  139.488   60.606   8.3034   61.392   0.0000   0.0000   8.3034   61.392  ?   ?   139.488   60.606      ?      ? 
1 1 1   12    9   26 o  287.281   47.939  216.435   36.111  222.378   37.952  159.626  117.348  331.535   29.334  243.028   91.281 88.50694 95.87861 
1 1 1   12    9   27 o  114.380   35.043   16.023   14.348   17.967   14.583 -42.7998   80.230   96.219   32.604  132.540   62.041 -36.32142 70.08673 
1 1 1   12    9   28 o  236.492   55.713  162.414   63.994  190.126   76.790   99.421  115.776  270.850   71.574  202.134   85.399 68.71556 111.4265 
1 1 1   12    9   29 o  138.791   37.610   39.505   21.488   44.400   22.104 -44.6776   91.669  141.712   38.823  135.871   64.426 5.840546 75.21910 
1 1 1   12    9   30 o  243.977   44.660  176.652   35.052  184.580   36.673   92.884  119.207  297.549   31.583  190.405   83.550 107.1447 89.32021 
1 1 1   12    9   31 o  271.738   44.204  248.096   39.222  266.066   41.246   78.288  126.790  358.448   29.486  185.028   83.347 173.4193 88.40896 
1 1 1   12    9   32 o  243.164   37.119  220.336   39.793  255.136   41.671 -139.7466  134.046  349.605   30.544  136.722   67.664 212.8828 74.23857 
1 1 1   12   10    0 o  823.277   43.380  1347.75  139.368  1347.75  139.368   0.0000   0.0000  823.277   43.380  ?   ?       ?      ? 
1 1 1   12   10    1 o  842.223   46.909  1414.94  154.175  1414.94  154.175   0.0000   0.0000  842.223   46.909  ?   ?       ?      ? 
1 1 1   12   10    2 o  726.675   40.826  1047.69  115.774  1047.69  115.774   0.0000   0.0000  726.675   40.826  ?   ?       ?      ? 
1 1 1   12   10    3 o  594.328   59.502  747.746   86.083  748.697   92.040  741.104  243.226  614.907   38.356  573.748  112.653 41.15857 119.0035 
1 1 1   12   10    4 o  795.884   42.829  1258.61  133.019  1258.61  133.019   0.0000   0.0000  795.884   42.829  ?   ?       ?      ? 
1 1 1   12   10    5 o  424.276   65.044  390.812  104.792  323.790  143.710  466.914  153.136  382.951   96.269  465.601   87.493 -82.64984 130.0880 
1 1 1   12   10    6 o  736.818   92.304  1244.04  259.047  1110.02  354.815  1397.01  379.082  685.146  137.485  788.490  123.199 -103.3436 184.6079 
1 1 1   12   10    7 o  819.241   75.128  1314.20  219.521  1122.85  255.918  1847.05  427.067  729.533   89.893  908.948  120.399 -179.4158 150.2556 
1 1 1   12   10    8 o   99.557   28.421   9.0883   16.484   9.3891   20.520   8.5410   27.679   94.174   37.396  104.940   42.807 -10.76515 56.84111 
1 1 1   12   10    9 o  461.414   57.322  438.956   95.247  416.245  116.154  485.572  166.412  451.729   65.891  471.099   93.816 -19.36981 114.6430 
1 1 1   12   10   10 o  542.939   58.444  590.612  116.300  541.856  139.842  699.972  209.437  513.595   69.773  572.283   93.780 -58.68787 116.8884 
1 1 1   12   10   11 o  387.901   65.497  333.707   98.224  380.089  138.934  287.355  138.887  417.012   88.133  358.790   96.912 58.22122 130.9936 
1 1 1   12   10   12 o  486.876   74.577  537.840  137.593  561.102  192.513  513.549  196.727  499.963  102.123  473.790  108.709 26.17270 149.1532 
1 1 1   12   10   13 o  848.978  118.512  1897.44  378.510  2082.82  545.884  1725.78  525.297  897.731  161.770  800.225  173.236 97.50592 237.0235 
1 1 1   12   10   14 o  711.497  137.441  1237.99  367.799  1237.99  367.799   0.0000   0.0000  711.497  137.441  ?   ?       ?      ? 
1 1 1   12   10   15 f  1031.77  252.704  3846.36  1009.40  3846.36  1009.40   0.0000   0.0000  1031.77  252.704  ?   ?       ?      ? 
1 1 1   12   10   16 o  521.310   84.836  660.535  169.959  758.136  232.982  549.515  248.483  573.563  108.054  469.056  130.816 104.5070 169.6720 
1 1 1   12   10   17 f  724.278  155.702  1410.53  426.992   0.0000   0.0000  1410.53  426.992  ?   ?   724.278  155.702      ?      ? 
1 1 1   12   10   18 o  465.078   80.493  533.968  145.238  578.820  196.603  480.085  215.490  494.651  105.092  435.506  121.951 59.14468 160.9857 
1 1 1   12   10   19 o  268.382   64.302  162.662   79.458  173.644   99.676  143.518  131.603  276.194   84.553  260.569   96.902 15.62445 128.6048 
1 1 1   12   10   20 o  178.872   52.060   28.982   54.658   8.6071   65.507   75.674   99.164  148.426   63.524  209.317   82.496 -60.89044 104.1195 
1 1 1   12   10   21 o  171.802   71.735   31.802   80.198   0.0000   0.0000   31.802   80.198  ?   ?   171.802   71.735      ?      ? 
1 1 1   12   10   22 o  275.054   62.679  191.703   77.249  211.931  103.326  166.068  116.317  291.708   85.344  258.399   91.821 33.30908 125.3581 
1 1 1   12   10   23 o  123.230   36.100   16.102   11.853   15.811   12.034   25.522   68.548   90.167   29.597  156.293   65.854 -66.12570 72.19959 
1 1 1   12   10   24 o  115.813   34.339   12.905   11.433   12.458   11.643   24.958   60.502   82.940   29.090  148.686   62.214 -65.74637 68.67886 
1 1 1   12   10   25 o  154.029   36.362   51.377   19.250   55.000   19.936   1.4522   74.003  161.710   32.715  146.348   64.951 15.36217 72.72472 
1 1 1   12   10   26 o  263.353   43.733  212.160   36.355  230.181   38.366   53.648  113.786  337.044   29.170  189.663   82.458 147.3810 87.46507 
1 1 1   12   10   27 o  180.013   36.782   85.229   24.008   93.461   24.945 -18.1374   88.397  214.009   29.869  146.016   67.227 67.99356 73.56342 
1 1 1   12   10   28 o  149.966   45.635   17.218   50.893   67.481   72.122 -32.6340   71.827  174.182   69.796  125.749   58.811 48.43367 91.27036 
1 1 1   12   10   29 o  177.061   37.163   86.300   26.014   95.696   26.860 -55.8976  104.489  214.195   32.134  139.926   67.021 74.26857 74.32574 
1 1 1   12   10   30 o  238.577   42.843  181.438   35.092  193.311   36.453   31.270  129.643  304.961   30.631  172.193   80.023 132.7682 85.68519 
1 1 1   12   10   31 o  136.153   43.904   17.382   21.873   16.396   22.257   45.224  118.251  100.712   39.263  171.595   78.540 -70.88278 87.80711 
1 1 1   12   10   32 o  164.393   45.012   61.914   28.152   65.352   28.539 -62.1807  171.471  168.084   43.256  160.702   78.951 7.381836 90.02428 
1 1 1   12   11    0 o  297.047   56.794  189.454   67.410  193.485   96.039  185.539   94.641  300.048   80.396  294.046   80.240 6.002228 113.5872 
1 1 1   12   11    1 o  372.473   39.962  329.097   49.678  528.243   68.311  105.555   72.375  517.365   33.835  227.580   72.410 289.7853 79.92487 
1 1 1   12   11    2 o  578.756   58.103  654.671   81.369  639.419   86.375  774.910  242.525  568.164   38.957  589.347  109.482 -21.18292 116.2063 
1 1 1   12   11    3 o  657.403   84.600  971.999  212.395  900.410  294.644  1049.44  306.447  624.801  125.206  690.005  113.808 -65.20422 169.1999 
1 1 1   12   11    4 o  271.371   76.583  156.638   84.638  156.638   84.638   0.0000   0.0000  271.371   76.583  ?   ?       ?      ? 
1 1 1   12   11    5 o  539.185  108.356  650.629  220.083  650.629  220.083   0.0000   0.0000  539.185  108.356  ?   ?       ?      ? 
1 1 1   12   11    6 o  478.276  101.083  507.316  182.759  507.316  182.759   0.0000   0.0000  478.276  101.083  ?   ?       ?      ? 
1 1 1   12   11    7 o  805.561   91.308  1376.87  287.038  1376.87  287.038   0.0000   0.0000  805.561   91.308  ?   ?       ?      ? 
1 1 1   12   11    8 o  686.649   68.337  963.623  171.408  878.178  205.405  1159.59  311.072  648.214   81.201  725.084  109.936 -76.86963 136.6732 
1 1 1   12   11    9 o  512.503   60.286  539.953  110.589  501.508  133.665  623.369  196.890  493.932   69.346  531.073   98.634 -37.14136 120.5715 
1 1 1   12   11   10 o  354.722   54.748  272.099   71.436  283.471   87.689  249.661  123.176  373.470   60.167  335.973   91.483 37.49677 109.4953 
1 1 1   12   11   11 o  168.365   41.847   40.889   28.497   31.421   31.760   79.993   64.543  134.409   47.957  202.320   68.591 -67.91122 83.69331 
1 1 1   12   11   12 o  762.349   78.303  1264.88  215.893  1199.80  258.980  1413.15  390.878  749.049   88.598  775.649  129.135 -26.60046 156.6060 
1 1 1   12   11   13 o  188.958   51.758   55.745   37.276   59.683   38.898   11.445  130.466  171.589   52.868  206.327   88.997 -34.73798 103.5155 
1 1 1   12   11   14 o  309.375   57.711  200.332   67.112  200.332   67.112   0.0000   0.0000  309.375   57.711  ?   ?       ?      ? 
1 1 1   12   11   15 o  223.524   72.960  102.960   73.165  102.960   73.165   0.0000   0.0000  223.524   72.960  ?   ?       ?      ? 
1 1 1   12   11   16 o  267.016   56.454  176.841   67.671  220.303   74.647 -23.6172  160.313  322.431   61.572  211.601   94.641 110.8301 112.9070 
1 1 1   12   11   17 o  848.720   98.835  1634.54  327.347  1634.54  327.347   0.0000   0.0000  848.720   98.835  ?   ?       ?      ? 
1 1 1   12   11   18 o  458.363   67.968  446.349  121.576  446.349  121.576   0.0000   0.0000  458.363   67.968  ?   ?       ?      ? 
1 1 1   12   11   19 o  326.604   73.386  262.132  103.578  237.042  133.718  299.769  163.774  311.292   98.358  341.917  108.939 -30.62469 146.7720 
1 1 1   12   11   20 o  116.875   39.714 -41.8486   36.505 -35.4162   39.520 -79.2449   95.291   92.908   43.507  140.842   66.452 -47.93377 79.42761 
1 1 1   12   11   21 o  394.189   68.063  425.282  107.317  490.956  133.237  303.975  181.081  464.823   73.452  323.555  114.609 141.2687 136.1268 
1 1 1   12   11   22 o  246.344   62.121  151.059   74.726  152.802   96.345  148.428  118.384  248.070   83.804  244.618   91.721 3.452560 124.2410 
1 1 1   12   11   23 o  225.031   57.856  105.084   73.220  205.159  105.417   11.801  101.777  278.944   87.214  171.119   76.046 107.8248 115.7125 
1 1 1   12   11   24 o  148.906   37.029   45.422   18.146   48.621   18.577 -21.0698   84.694  152.002   32.314  145.811   66.637 6.190613 74.05883 
1 1 1   12   11   25 o  427.591   33.910  374.698   56.583  374.698   56.583   0.0000   0.0000  427.591   33.910  ?   ?       ?      ? 
1 1 1   12   11   26 o  206.399   37.468  128.074   28.537  142.975   29.744 -44.5362  101.231  265.409   28.717  147.390   69.214 118.0189 74.93538 
1 1 1   12   11   27 o  140.175   35.665   42.031   18.096   46.059   18.509 -45.2102   86.142  146.509   33.148  133.840   63.159 12.66879 71.32908 
1 1 1   12   11   28 o  158.626   38.625   57.456   21.828   60.788   22.509   4.8151   89.467  167.139   35.600  150.113   68.559 17.02603 77.25068 
1 1 1   12   11   29 o  261.835   44.071  220.499   37.365  235.087   39.295   82.824  120.717  336.901   29.888  186.768   82.919 150.1331 88.14149 
1 1 1   12   11   30 o  223.409   41.239  159.174   34.210  172.088   35.431 -18.6559  131.480  287.007   31.634  159.811   76.169 127.1962 82.47725 
1 1 1   12   11   31 o  385.856   29.949  310.023   45.096  310.023   45.096   0.0000   0.0000  385.856   29.949  ?   ?       ?      ? 
1 1 1   12   12    0 o  452.457   68.519  449.827  117.441  390.826  162.324  514.635  170.124  418.855  100.577  486.059   93.080 -67.20309 137.0381 
1 1 1   12   12    1 o  156.715   55.350   43.838   42.205   0.0000   0.0000   43.838   42.205  ?   ?   156.715   55.350      ?      ? 
1 1 1   12   12    2 o  529.143   75.579  625.664  150.664  582.816  210.092  671.031  216.180  508.677  109.108  549.610  104.614 -40.93314 151.1577 
1 1 1   12   12    3 o  392.543   64.693  338.044   97.268  344.025  138.124  332.160  136.998  396.152   91.230  388.933   91.748 7.218628 129.3852 
1 1 1   12   12    4 o  556.638  110.966  699.232  232.585  699.232  232.585   0.0000   0.0000  556.638  110.966  ?   ?       ?      ? 
1 1 1   12   12    5 o  413.711   65.884  376.318  103.913  339.301  144.469  415.999  149.575  391.199   95.473  436.223   90.818 -45.02371 131.7688 
1 1 1   12   12    6 o  326.116   54.960  222.823   67.088  203.126   84.160  257.156  111.113  308.491   71.332  343.741   83.630 -35.25052 109.9197 
1 1 1   12   12    7 o  870.848   84.156  1613.28  264.728  1453.15  314.116  2005.82  491.807  819.808   98.185  921.887  136.705 -102.0786 168.3113 
1 1 1   12   12    8 o  415.103   57.555  368.931   86.936  372.215  107.564  362.743  147.630  426.647   64.605  403.560   95.271 23.08734 115.1102 
1 1 1   12   12    9 o  358.429   66.098  270.662   89.047  270.662   89.047   0.0000   0.0000  358.429   66.098  ?   ?       ?      ? 
1 1 1   12   12   10 o  124.705   35.131   9.9631   19.324   4.5091   20.938   41.309   50.196   89.190   36.897  160.219   59.794 -71.02924 70.26134 
1 1 1   12   12   11 o  220.637   50.211   90.408   43.091   81.531   48.976  120.831   90.666  198.413   58.949  242.860   81.300 -44.44757 100.4226 
1 1 1   12   12   12 o  147.405   43.781   11.605   24.310   8.5936   25.289   48.254   88.217  100.980   41.023  193.830   77.358 -92.84956 87.56250 
1 1 1   12   12   13 o  338.030   63.231  274.146   79.123  300.974   88.261  164.333  178.566  384.051   58.891  292.009  111.914 92.04117 126.4629 
1 1 1   12   12   14 o  168.329   54.551   56.372   40.933   56.372   40.933   0.0000   0.0000  168.329   54.551  ?   ?       ?      ? 
1 1 1   12   12   15 o  375.807   56.921  289.091   83.478  289.091   83.478   0.0000   0.0000  375.807   56.921  ?   ?       ?      ? 
1 1 1   12   12   16 f  218.213   60.465   56.742   40.901   51.262   42.174  143.442  167.748  162.783   55.444  273.642  107.472 -110.8595 120.9303 
1 1 1   12   12   17 o  338.322   71.301  191.048   92.256  105.699  104.276  498.546  197.928  231.552   86.227  445.092  113.578 -213.5394 142.6010 
1 1 1   12   12   18 o  255.842   62.141  140.738   62.852  142.423   68.227  131.291  161.560  252.936   67.758  258.749  104.187 -5.813156 124.2826 
1 1 1   12   12   19 o  261.157   63.323  145.029   64.914  136.474   71.360  186.066  156.295  245.068   70.704  277.246  105.072 -32.17731 126.6458 
1 1 1   12   12   20 o  165.010   51.311   10.927   50.426   5.7668   55.678   34.474  118.936  135.167   58.221  194.854   84.508 -59.68677 102.6223 
1 1 1   12   12   21 o  287.478   71.114  206.855  109.328   66.387  149.860  366.670  159.848  216.171   94.296  358.785  106.475 -142.6147 142.2274 
1 1 1   12   12   22 o  196.768   55.596   74.711   67.239  109.461   83.897   12.309  112.427  215.753   77.837  177.782   79.404 37.97066 111.1915 
1 1 1   12   12   23 o  313.174   66.655  286.251   96.149  369.569  126.761  173.374  147.544  375.350   88.059  250.998  100.085 124.3521 133.3094 
1 1 1   12   12   24 o  170.060   53.888   10.718   73.608   9.2950   99.567   12.432  109.308  166.737   74.579  173.383   77.805 -6.646759 107.7762 
1 1 1   12   12   25 o   73.918   27.176   9.0158   10.297   9.0158   10.297   0.0000   0.0000   73.918   27.176  ?   ?       ?      ? 
1 1 1   12   12   26 o  295.489   51.717  231.191   42.129  233.053   44.308  213.652  135.996  335.371   33.855  255.608   97.737 79.76279 103.4347 
1 1 1   12   12   27 o  210.008   41.019  126.882   30.908  136.536   32.150   9.0991  112.299  256.413   32.130  163.603   75.485 92.81030 82.03820 
1 1 1   12   12   28 o  115.564   34.665   28.743   16.876   28.743   16.876   0.0000   0.0000  115.564   34.665  ?   ?       ?      ? 
1 1 1   12   12   29 o  230.311   34.910  112.304   31.376  112.304   31.376   0.0000   0.0000  230.311   34.910  ?   ?       ?      ? 
1 1 1   12   12   30 o  316.202   30.411  208.238   37.525  208.238   37.525   0.0000   0.0000  316.202   30.411  ?   ?       ?      ? 
1 1 1   12   12   31 o  197.265   38.837  120.061   28.341  128.905   28.933 -89.1631  140.727  248.461   29.841  146.069   71.714 102.3916 77.67437 
1 1 1   12   13    0 f  162.153   56.786   47.893   44.356   0.0000   0.0000   47.893   44.356  ?   ?   162.153   56.786      ?      ? 
1 1 1   12   13    1 o  432.513   96.440  415.114  158.626   0.0000   0.0000  415.114  158.626  ?   ?   432.513   96.440      ?      ? 
1 1 1   12   13    2 o  501.925   73.001  562.438  138.202  494.796  190.714  637.238  200.552  467.200  106.917  536.651   99.426 -69.45001 146.0021 
1 1 1   12   13    3 o  1039.69  155.981  3267.58  613.194  3394.13  879.080  3147.65  855.765  1062.58  219.272  1016.81  221.900 45.77417 311.9618 
1 1 1   12   13    4 o  197.176   64.620   77.303   57.372   77.303   57.372   0.0000   0.0000  197.176   64.620  ?   ?       ?      ? 
1 1 1   12   13    5 f  192.363   44.901   72.624   39.222   63.732   54.343   82.292   56.667  183.200   62.928  201.527   64.067 -18.32628 89.80233 
1 1 1   12   13    6 o  689.340   81.400  999.074  218.973  999.074  218.973   0.0000   0.0000  689.340   81.400  ?   ?       ?      ? 
1 1 1   12   13    7 o  642.490   78.939  865.281  197.920  865.281  197.920   0.0000   0.0000  642.490   78.939  ?   ?       ?      ? 
1 1 1   12   13    8 o  252.389   78.049  134.802   84.688   0.0000   0.0000  134.802   84.688  ?   ?   252.389   78.049      ?      ? 
1 1 1   12   13    9 o  479.504   68.814  475.000  128.767  475.000  128.767   0.0000   0.0000  479.504   68.814  ?   ?       ?      ? 
1 1 1   12   13   10 o  327.235   57.513  232.268   69.306  230.515   83.347  236.198  124.770  329.220   67.150  325.250   93.390 3.970642 115.0254 
1 1 1   12   13   11 o  319.029   56.671  243.604   73.003  296.755   87.362  120.586  132.907  381.525   58.677  256.533   96.972 124.9918 113.3425 
1 1 1   12   13   12 o  420.841   63.614  391.577   92.855  394.340  108.735  384.137  178.448  437.662   63.665  404.020  110.153 33.64215 127.2280 
1 1 1   12   13   13 o  626.839   73.629  857.600  153.811  817.573  178.473  973.155  303.246  623.540   73.346  630.139  127.692 -6.598694 147.2579 
1 1 1   12   13   14 o  346.857   91.651  275.044  125.920  275.044  125.920   0.0000   0.0000  346.857   91.651  ?   ?       ?      ? 
1 1 1   12   13   15 o  403.921  101.777  388.532  160.360  388.532  160.360   0.0000   0.0000  403.921  101.777  ?   ?       ?      ? 
1 1 1   12   13   16 o  285.916   73.765  157.051   88.930  131.977   98.827  263.760  203.875  246.435   84.849  325.397  120.688 -78.96190 147.5295 
1 1 1   12   13   17 o  232.170   62.931   97.799   56.442   98.322   59.170   92.512  188.068  212.597   65.156  251.742  107.685 -39.14572 125.8628 
1 1 1   12   13   18 o  171.529   53.243   27.926   40.846   30.794   42.332 -10.7871  155.542  140.946   54.369  202.112   91.560 -61.16550 106.4856 
1 1 1   12   13   19 o  460.670   90.762  624.274  167.377  507.922  214.701  804.546  267.246  410.114  123.785  511.226  132.771 -101.1120 181.5238 
1 1 1   12   13   20 o  156.393   50.920 -17.7080   48.928 -26.6984   52.745   37.748  130.998  113.992   52.277  198.794   87.399 -84.80263 101.8410 
1 1 1   12   13   21 o  163.984   51.972   7.0327   59.824   6.5171   68.382   8.7149  123.506  145.354   63.543  182.615   82.260 -37.26088 103.9444 
1 1 1   12   13   22 o  190.145   59.854   22.949   92.624 -52.2810  140.480   80.805  123.195  172.719   81.246  207.572   87.916 -34.85205 119.7087 
1 1 1   12   13   23 o  220.381   66.697  104.660  102.249   74.991  163.370  123.766  131.101  214.779   95.838  225.982   92.783 -11.20319 133.3932 
1 1 1   12   13   24 o  187.915   61.909 -12.9454  113.100 -91.1640  166.910   53.460  153.790  173.582   83.546  202.248   91.384 -28.66588 123.8185 
1 1 1   12   13   25 o  211.828   89.472  112.952  127.028  112.952  127.028   0.0000   0.0000  211.828   89.472  ?   ?       ?      ? 
1 1 1   12   13   26 o   70.806   27.090   7.3937   10.452   7.3937   10.452   0.0000   0.0000   70.806   27.090  ?   ?       ?      ? 
1 1 1   12   13   27 o  352.373   29.088  255.932   40.000  255.932   40.000   0.0000   0.0000  352.373   29.088  ?   ?       ?      ? 
1 1 1   12   13   28 o  147.690   69.142 -13.6292   99.700   0.0000   0.0000 -13.6292   99.700  ?   ?   147.690   69.142      ?      ? 
1 1 1   12   13   29 o  201.650   41.866  113.582   30.327  120.048   31.352   19.524  119.568  238.551   33.678  164.750   76.659 73.80122 83.73108 
1 1 1   12   13   30 o  159.813   37.077   69.204   24.787   77.924   25.279 -148.3824  126.275  188.544   35.664  131.081   65.014 57.46332 74.15312 
1 1 1   12   14    0 o  118.414   32.931   15.768   22.757   3.0689   33.927   26.154   30.684  109.489   46.242  127.339   46.898 -17.84966 65.86153 
1 1 1   12   14    1 o  395.681   64.056  344.668   97.326  277.958  134.076  418.976  141.505  352.634   95.206  438.728   85.724 -86.09366 128.1125 
1 1 1   12   14    2 o  159.772   38.619   43.826   30.127   70.876   44.278   20.507   41.111  186.053   56.227  133.492   52.956 52.56018 77.23841 
1 1 1   12   14    3 o  868.552  120.276  1996.39  393.040  2051.23  561.030  1943.54  550.796  881.824  169.186  855.280  171.002 26.54419 240.5522 
1 1 1   12   14    4 o  467.530  101.737  493.529  180.344   0.0000   0.0000  493.529  180.344  ?   ?   467.530  101.737      ?      ? 
1 1 1   12   14    5 o  483.836   78.280  535.318  143.115  577.650  221.797  505.121  187.329  496.583  116.469  471.089  104.622 25.49454 156.5597 
1 1 1   12   14    6 o  274.254   60.728  139.150   67.298  231.155  126.927  103.171   79.373  322.158   94.687  226.349   76.067 95.80957 121.4568 
1 1 1   12   14    7 o  486.494   74.963  529.804  137.420  644.299  212.219  447.129  180.334  531.977  105.948  441.012  106.079 90.96460 149.9260 
1 1 1   12   14    8 o  336.208   67.838  253.279   92.909  262.836  140.238  245.803  124.035  340.817   99.345  331.599   92.404 9.217896 135.6761 
1 1 1   12   14    9 o  170.327   49.372   23.705   54.037 -26.5099   87.462   54.707   68.723  156.415   69.935  184.238   69.709 -27.82333 98.74387 
1 1 1   12   14   10 o  440.485   61.569  411.929   95.970  393.065  114.621  456.162  175.521  435.604   67.428  445.367  103.037 -9.762726 123.1388 
1 1 1   12   14   11 o  351.332   61.085  266.895   75.929  258.061   88.404  291.739  148.250  347.523   67.620  355.141  101.749 -7.618225 122.1692 
1 1 1   12   14   12 o  236.907   61.952   94.867   66.979   78.923   76.767  145.711  137.083  205.424   74.402  268.390   99.079 -62.96609 123.9045 
1 1 1   12   14   13 f  352.506   77.191  251.568  100.981  206.636  113.872  417.011  218.503  301.393   89.964  403.619  125.459 -102.2257 154.3813 
1 1 1   12   14   14 o  344.226   94.338  278.879  130.488  278.879  130.488   0.0000   0.0000  344.226   94.338  ?   ?       ?      ? 
1 1 1   12   14   16 o  126.901   55.880  -7.3687   53.735  -7.3687   53.735   0.0000   0.0000  126.901   55.880  ?   ?       ?      ? 
1 1 1   12   14   17 o  206.656   81.573   77.600   97.097   77.600   97.097   0.0000   0.0000  206.656   81.573  ?   ?       ?      ? 
1 1 1   12   14   18 o  226.379   86.051  112.564  105.026  112.564  105.026   0.0000   0.0000  226.379   86.051  ?   ?       ?      ? 
1 1 1   12   14   19 o  262.761   97.824  181.327  134.192  181.327  134.192   0.0000   0.0000  262.761   97.824  ?   ?       ?      ? 
1 1 1   12   14   20 o  280.928   83.248  202.434   97.769  202.434   97.769   0.0000   0.0000  280.928   83.248  ?   ?       ?      ? 
1 1 1   12   14   21 o  232.072   82.592  135.422   94.145  135.422   94.145   0.0000   0.0000  232.072   82.592  ?   ?       ?      ? 
1 1 1   12   14   22 o  358.763   97.574  365.837  140.220  365.837  140.220   0.0000   0.0000  358.763   97.574  ?   ?       ?      ? 
1 1 1   12   14   23 o  198.149   80.398   84.828   97.003   84.828   97.003   0.0000   0.0000  198.149   80.398  ?   ?       ?      ? 
1 1 1   12   14   24 o  302.117   70.599  316.545  115.575  437.042  148.165  129.279  184.708  380.276   98.908  223.959  100.767 156.3169 141.1979 
1 1 1   12   14   25 o  197.194   61.032   89.170   86.354   84.995  105.715   97.542  149.704  191.422   81.279  202.966   91.069 -11.54387 122.0646 
1 1 1   12   14   26 o  194.919   56.899   99.466   64.969  100.541   73.444   95.596  139.322  194.093   72.348  195.745   87.840 -1.652786 113.7985 
1 1 1   12   14   27 o  246.768   63.526  204.882   76.578  200.494   86.960  220.034  161.605  260.899   78.786  232.636   99.675 28.26318 127.0529 
1 1 1   12   14   28 o  150.190   37.781   53.543   21.484   58.918   21.821 -116.4102  122.704  164.146   35.126  136.234   66.901 27.91214 75.56169 
1 1 1   12   14   29 o  120.113   58.817 -38.1324   4.1574 -38.0066   4.1616 -100.6524   92.779  ?   ?   120.113   58.817      ?      ? 
1 1 1   12   15    0 o  405.052   67.218  368.102  104.450  355.601  147.719  380.600  147.710  397.437   96.264  412.667   93.844 -15.22983 134.4370 
1 1 1   12   15    1 o  484.953   73.738  535.341  135.437  504.190  189.947  567.556  193.168  468.940  106.256  500.967  102.269 -32.02780 147.4761 
1 1 1   12   15    2 o  489.537   73.560  543.935  136.207  600.466  197.093  492.253  188.448  516.099  101.477  462.974  106.520 53.12454 147.1192 
1 1 1   12   15    3 o  471.668   71.804  502.659  128.318  565.003  186.135  446.196  177.138  502.012   98.531  441.323  104.474 60.68875 143.6076 
1 1 1   12   15    4 o  721.627   82.795  1230.19  213.313  1321.88  269.375  1076.01  349.308  785.368   87.892  657.886  140.338 127.4822 165.5897 
1 1 1   12   15    5 o  624.431   74.660  891.590  167.704  931.797  210.495  821.716  277.491  663.376   81.311  585.485  125.240 77.89117 149.3199 
1 1 1   12   15    6 o  297.385   56.777  180.989   66.007  140.838   82.417  252.808  110.228  256.304   76.544  338.466   83.879 -82.16150 113.5546 
1 1 1   12   15    7 o  166.392   41.850   50.665   33.461   57.087   40.951   37.766   58.039  169.266   54.532  163.517   63.498 5.748764 83.70026 
1 1 1   12   15    8 o  377.913   61.050  313.645   83.929  307.553  102.199  326.264  147.088  378.594   71.801  377.232   98.758 1.362122 122.1002 
1 1 1   12   15    9 o  216.297   50.086   92.837   44.895   90.470   52.313   99.452   87.463  207.492   60.732  225.103   79.661 -17.61162 100.1712 
1 1 1   12   15   10 o  418.907   65.764  365.104  107.507  365.104  107.507   0.0000   0.0000  418.907   65.764  ?   ?       ?      ? 
1 1 1   12   15   11 o  310.148   62.396  234.763   78.098  266.089   89.901  138.400  157.677  351.248   68.045  269.048  104.609 82.20004 124.7927 
1 1 1   12   15   12 o  580.961   80.579  819.345  158.467  819.990  185.749  817.619  303.750  615.831   77.292  546.091  141.414 69.74048 161.1583 
1 1 1   12   15   13 o  298.517   64.454  233.772   79.220  264.236   84.418   9.0330  229.290  349.479   64.267  247.556  111.745 101.9226 128.9077 
1 1 1   12   15   14 o  133.066   50.433   27.935   36.010   27.935   36.010   0.0000   0.0000  133.066   50.433  ?   ?       ?      ? 
1 1 1   12   15   15 o  342.668   67.503  261.569   87.056  261.569   87.056   0.0000   0.0000  342.668   67.503  ?   ?       ?      ? 
1 1 1   12   15   16 o  313.016   70.332  249.221   82.293  252.497   88.088  226.746  230.689  332.803   70.043  293.230  121.984 39.57281 140.6633 
1 1 1   12   15   17 o  308.694   82.058  241.130  120.049  182.422  138.848  414.978  238.930  266.510   99.450  350.878  130.551 -84.36804 164.1153 
1 1 1   12   15   18 o  190.942   58.831   51.220   55.853   56.945   58.132 -17.5314  201.451  171.038   64.245  210.846   98.573 -39.80840 117.6611 
1 1 1   12   15   19 o  345.606   85.838  348.450  139.518  212.613  168.700  642.416  248.173  269.871  107.206  421.341  134.088 -151.4692 171.6763 
1 1 1   12   15   20 o  229.629   61.341  136.965   77.686  168.175   84.750 -27.1860  194.365  258.110   77.741  201.148   94.906 56.96231 122.6820 
1 1 1   12   15   21 o  352.956   80.687  378.365  117.324  327.793  137.630  512.824  224.415  336.552   98.507  369.360  127.820 -32.80753 161.3742 
1 1 1   12   15   22 o  268.026   69.667  226.195  101.417  263.779  122.125  142.689  182.039  301.685   93.798  234.367  103.034 67.31900 139.3341 
1 1 1   12   15   23 o  136.262   46.748 -81.9967   69.055 -60.8468   79.630 -146.1406  138.676  125.422   59.638  147.103   72.007 -21.68108 93.49691 
1 1 1   12   15   24 o  181.080   78.109   63.832  100.505   63.832  100.505   0.0000   0.0000  181.080   78.109  ?   ?       ?      ? 
1 1 1   12   15   25 o  162.547   50.972   34.430   65.370   64.552   77.574 -39.3490  121.408  171.720   71.028  153.374   73.127 18.34589 101.9437 
1 1 1   12   15   26 o  235.308   65.021  193.799   85.029  190.829  101.364  200.850  156.197  243.209   85.791  227.408   97.729 15.80144 130.0429 
1 1 1   12   15   27 o  131.172   44.754 -52.6880   61.865 -44.1059   72.352 -76.0243  119.307  120.118   57.037  142.227   68.983 -22.10859 89.50896 
1 1 1   12   15   28 o  250.211   41.652  224.422   42.889  249.550   44.731 -62.0005  151.020  343.784   33.342  156.638   76.342 187.1462 83.30499 
1 1 1   12   15   29 o  283.188   52.571  248.745   45.907  249.409   47.789  240.801  165.234  340.351   35.981  226.025   98.793 114.3256 105.1412 
1 1 1   12   16    0 o  515.742  108.999  616.377  212.508   0.0000   0.0000  616.377  212.508  ?   ?   515.742  108.999      ?      ? 
1 1 1   12   16    1 o  419.267   68.616  397.965  110.101  428.625  158.433  369.328  153.115  435.933   95.750  402.601   98.309 33.33221 137.2319 
1 1 1   12   16    2 o  516.732   77.076  618.408  150.529  666.984  216.833  573.220  209.136  538.327  106.986  495.138  110.982 43.18909 154.1520 
1 1 1   12   16    3 o  480.510   63.569  528.679  112.913  640.718  150.514  384.471  170.761  555.004   69.494  406.017  106.464 148.9868 127.1380 
1 1 1   12   16    4 o  118.605   32.863   8.1979   24.971   38.301   33.464 -29.6293   37.512  143.464   49.375   93.745   43.384 49.71902 65.72693 
1 1 1   12   16    5 o  653.113   76.585  962.387  179.581  930.044  220.418  1026.24  309.707  656.751   86.003  649.474  126.746 7.276611 153.1699 
1 1 1   12   16    6 o  389.249   67.812  347.081  102.418  364.109  143.557  329.429  146.161  400.387   93.562  378.112   98.184 22.27527 135.6246 
1 1 1   12   16    7 o  193.299   49.601   68.727   47.012   73.523   57.897   59.443   80.549  192.430   64.965  194.169   74.970 -1.739120 99.20126 
1 1 1   12   16    8 o  360.403   68.358  299.608   97.176  288.607  127.255  314.996  150.507  355.080   91.321  365.726  101.744 -10.64621 136.7161 
1 1 1   12   16    9 o  568.086   77.834  694.928  172.549  694.928  172.549   0.0000   0.0000  568.086   77.834  ?   ?       ?      ? 
1 1 1   12   16   10 f  333.381   65.620  256.223   80.474  256.266   91.895  256.081  166.670  341.612   71.240  325.151  110.222 16.46118 131.2405 
1 1 1   12   16   11 o  234.792   60.722   76.915   48.303   63.588   50.911  197.084  152.878  178.511   60.916  291.073  105.062 -112.5623 121.4445 
1 1 1   12   16   12 o  316.685   71.580  185.171   70.404  163.569   74.561  362.832  213.829  270.220   70.107  363.150  124.820 -92.92966 143.1606 
1 1 1   12   16   13 o  261.665   71.050   94.864   51.964   85.036   53.248  291.311  238.063  198.567   61.968  324.763  127.876 -126.1969 142.1000 
1 1 1   12   16   14 o  220.553   66.242  108.874   61.597  108.874   61.597   0.0000   0.0000  220.553   66.242  ?   ?       ?      ? 
1 1 1   12   16   15 o  175.738   60.153   64.496   49.645   64.496   49.645   0.0000   0.0000  175.738   60.153  ?   ?       ?      ? 
1 1 1   12   16   16 o  333.368   85.851  316.777  129.836  266.638  149.115  473.940  264.004  307.874  104.257  358.861  136.425 -50.98682 171.7011 
1 1 1   12   16   17 o  237.604   72.842   93.612  101.718   60.376  113.316  231.490  230.801  198.123   84.138  277.085  118.930 -78.96143 145.6832 
1 1 1   12   16   18 o  218.040   69.138   63.679  102.532   46.723  115.204  128.284  224.878  191.477   83.108  244.603  110.515 -53.12674 138.2766 
1 1 1   12   16   19 o  293.046   83.343  260.416  136.248  179.870  163.394  444.233  246.836  253.068  103.706  333.025  130.497 -79.95709 166.6862 
1 1 1   12   16   20 o  203.414   63.018   58.880   69.459   47.555   74.493  134.273  192.202  170.183   69.914  236.646  104.867 -66.46288 126.0360 
1 1 1   12   16   21 o  192.599   61.117   41.565   77.665   28.339   86.362   97.486  177.579  165.295   71.850  219.903   98.886 -54.60786 122.2331 
1 1 1   12   16   22 o  307.271   74.256  355.357  129.482  472.131  161.290  143.677  217.156  385.400  104.577  229.141  105.450 156.2590 148.5126 
1 1 1   12   16   23 o  200.473   62.145   90.488   85.409   72.774  100.386  136.923  162.534  184.830   78.859  216.117   96.069 -31.28685 124.2901 
1 1 1   12   16   24 o  188.161   78.349   89.152   95.294   89.152   95.294   0.0000   0.0000  188.161   78.349  ?   ?       ?      ? 
1 1 1   12   16   25 o  222.296   65.695  175.827   99.632  224.153  130.800  109.034  153.774  246.102   95.391  198.489   90.353 47.61282 131.3898 
1 1 1   12   16   26 o  238.984   61.793  147.296  103.372  393.829  140.628 -142.4943  152.467  331.701  100.196  146.268   72.348 185.4325 123.5857 
1 1 1   12   16   27 o  236.118   68.834  220.465  112.134  346.061  156.217   86.964  161.058  282.673  105.486  189.562   88.460 93.11133 137.6679 
1 1 1   12   16   28 o  353.788   73.863  582.658  132.010  716.178  170.100  380.457  209.326  457.108   98.279  250.469  110.291 206.6389 147.7260 
1 1 1   12   17    0 o  422.397   69.922  411.265  113.401  464.837  164.693  362.966  156.377  450.573   96.568  394.221  101.149 56.35254 139.8445 
1 1 1   12   17    1 o  378.277   65.932  326.107   96.953  370.306  140.660  286.102  133.820  403.968   91.366  352.587   95.082 51.38077 131.8646 
1 1 1   12   17    2 o  308.189   55.217  212.547   67.371  252.474   92.654  167.753   98.138  340.849   71.919  275.530   83.807 65.31882 110.4350 
1 1 1   12   17    3 o  479.349   64.269  535.954  114.408  669.800  154.222  372.148  170.611  564.363   70.026  394.335  107.788 170.0279 128.5375 
1 1 1   12   17    4 o  780.462   93.707  1597.77  260.368  1926.21  342.216  1146.32  401.212  928.422   94.455  632.503  161.872 295.9186 187.4145 
1 1 1   12   17    5 o  561.513   78.992  679.834  173.092  679.834  173.092   0.0000   0.0000  561.513   78.992  ?   ?       ?      ? 
1 1 1   12   17    6 o  333.733   61.664  254.276   79.322  254.067   99.453  254.640  131.497  337.893   77.123  329.574   96.237 8.319427 123.3271 
1 1 1   12   17    7 o  496.978   70.996  577.200  126.826  574.389  154.380  583.036  222.429  515.055   76.808  478.901  119.425 36.15405 141.9921 
1 1 1   12   17    8 f  677.942   88.866  1036.83  235.105  1036.83  235.105   0.0000   0.0000  677.942   88.866  ?   ?       ?      ? 
1 1 1   12   17    9 o  448.349   80.814  502.748  147.384  322.039  195.390  741.298  224.492  349.761  119.338  546.936  109.006 -197.1750 161.6288 
1 1 1   12   17   10 o  564.860   77.861  757.007  150.281  702.269  175.391  908.182  291.475  560.043   80.252  569.677  133.451 -9.633301 155.7223 
1 1 1   12   17   11 o  199.512   57.555   56.094   43.818   54.710   45.532   73.454  161.227  166.055   57.568  232.968   99.681 -66.91289 115.1105 
1 1 1   12   17   12 o  222.474   65.696   20.048   36.931   10.743   37.526  306.823  208.326  118.569   49.251  326.379  121.811 -207.8100 131.3913 
1 1 1   12   17   13 o  302.587  128.556  268.124  264.744   0.0000   0.0000  268.124  264.744  ?   ?   302.587  128.556      ?      ? 
1 1 1   12   17   14 o  307.129   89.819  242.286  114.465  242.286  114.465   0.0000   0.0000  307.129   89.819  ?   ?       ?      ? 
1 1 1   12   17   15 o  166.340   63.119   52.210   56.446   52.210   56.446   0.0000   0.0000  166.340   63.119  ?   ?       ?      ? 
1 1 1   12   17   16 o  169.540   56.521   18.228   44.800   22.986   45.594 -114.7503  241.021  134.973   54.986  204.106   98.767 -69.13342 113.0416 
1 1 1   12   17   17 o  223.044   64.875  114.244   81.994  132.511   87.653 -13.6917  231.969  230.656   79.880  215.432  102.248 15.22424 129.7509 
1 1 1   12   17   18 o  182.882   58.824   22.326   63.736   17.068   68.012   60.246  182.639  149.344   64.338  216.419   98.497 -67.07486 117.6480 
1 1 1   12   17   19 o  214.887   99.491   49.720  197.603   0.0000   0.0000   49.720  197.603  ?   ?   214.887   99.491      ?      ? 
1 1 1   12   17   20 o  265.977   73.703  241.456  121.521  292.334  142.760  107.598  231.561  303.579  102.015  228.374  106.404 75.20451 147.4067 
1 1 1   12   17   21 o  247.423  110.808  229.440  220.528   0.0000   0.0000  229.440  220.528  ?   ?   247.423  110.808      ?      ? 
1 1 1   12   17   22 o  263.031   74.437  278.643  122.616  330.790  157.527  198.479  195.315  294.619  106.600  231.443  103.921 63.17624 148.8731 
1 1 1   12   17   23 o  153.311   50.338   2.4908   67.925   20.662   78.407 -52.1709  135.989  149.860   66.666  156.762   75.441 -6.902588 100.6758 
1 1 1   12   17   24 o  215.974   87.027  151.429  112.812  151.429  112.812   0.0000   0.0000  215.974   87.027  ?   ?       ?      ? 
1 1 1   12   17   25 o  177.133   54.333   50.230   81.724  137.812   97.788 -152.6129  148.819  210.998   82.286  143.267   70.973 67.73141 108.6656 
1 1 1   12   17   26 o  176.864   55.574   65.524   80.263  106.608   99.348 -11.6880  136.194  192.122   79.998  161.605   77.162 30.51768 111.1470 
1 1 1   12   17   27 o  233.594   66.523  153.427   97.895   4.0043  120.497  443.528  167.897  157.428   74.415  309.761  110.290 -152.3336 133.0470 
1 1 1   12   18    0 o  779.714  187.048  2004.35  561.840  2004.35  561.840   0.0000   0.0000  779.714  187.048  ?   ?       ?      ? 
1 1 1   12   18    1 o  477.787   72.033  530.424  133.115  707.190  201.893  394.483  177.050  557.885   92.735  397.689  110.250 160.1962 144.0656 
1 1 1   12   18    2 o  352.653  135.549  329.556  262.429  329.556  262.429   0.0000   0.0000  352.653  135.549  ?   ?       ?      ? 
1 1 1   12   18    3 o  219.100   75.075  100.397   77.332  100.397   77.332   0.0000   0.0000  219.100   75.075  ?   ?       ?      ? 
1 1 1   12   18    4 o  720.971   91.975  1189.39  258.773  1189.39  258.773   0.0000   0.0000  720.971   91.975  ?   ?       ?      ? 
1 1 1   12   18    5 o  573.001   85.281  739.136  190.695  739.136  190.695   0.0000   0.0000  573.001   85.281  ?   ?       ?      ? 
1 1 1   12   18    6 o   76.748   35.199 -16.0292   23.915 -16.0292   23.915   0.0000   0.0000   76.748   35.199  ?   ?       ?      ? 
1 1 1   12   18    7 o  319.834   75.074  233.023   92.095  233.023   92.095   0.0000   0.0000  319.834   75.074  ?   ?       ?      ? 
1 1 1   12   18    8 o  244.306   70.149  134.719   70.397  134.719   70.397   0.0000   0.0000  244.306   70.149  ?   ?       ?      ? 
1 1 1   12   18    9 o  714.189   93.284  1224.53  259.988  1224.53  259.988   0.0000   0.0000  714.189   93.284  ?   ?       ?      ? 
1 1 1   12   18   10 o  402.957   77.148  377.387  116.896  377.387  116.896   0.0000   0.0000  402.957   77.148  ?   ?       ?      ? 
1 1 1   12   18   11 o  188.554   62.519   76.944   53.646   76.944   53.646   0.0000   0.0000  188.554   62.519  ?   ?       ?      ? 
1 1 1   12   18   12 o  229.486   86.930  120.884  106.948  120.884  106.948   0.0000   0.0000  229.486   86.930  ?   ?       ?      ? 
1 1 1   12   18   13 o  288.125   74.748  200.876   84.764  200.876   84.764   0.0000   0.0000  288.125   74.748  ?   ?       ?      ? 
1 1 1   12   18   14 f   88.617   40.043 -12.3719   29.534 -12.3719   29.534   0.0000   0.0000   88.617   40.043  ?   ?       ?      ? 
1 1 1   12   18   15 o  118.115   49.524   11.072   38.458   11.072   38.458   0.0000   0.0000  118.115   49.524  ?   ?       ?      ? 
1 1 1   12   18   16 o  206.673   60.078   90.556   66.976  105.539   70.802 -36.9580  206.546  210.556   71.837  202.790   96.316 7.765518 120.1555 
1 1 1   12   18   17 o  327.590   83.611  376.318  137.055  331.889  187.221  427.621  201.182  309.436  115.479  345.744  120.945 -36.30780 167.2212 
1 1 1   12   18   18 o  266.944   76.987  207.780  124.549  369.169  205.029  113.395  156.795  311.547  119.797  222.342   96.730 89.20509 153.9740 
1 1 1   12   18   19 o  221.085   66.237  120.371   87.955  115.541   98.362  139.641  196.465  212.637   82.638  229.533  103.539 -16.89680 132.4740 
1 1 1   12   18   20 o  312.270   81.914  395.544  130.402  373.033  148.998  469.221  269.556  332.741  103.630  291.800  126.889 40.94080 163.8287 
1 1 1   12   18   21 o  266.835   72.183  275.221  107.713  287.495  130.411  248.874  191.069  289.616   97.502  244.055  106.466 45.56119 144.3667 
1 1 1   12   18   22 o  177.042   55.593   56.645   71.552   43.917   85.545   86.289  130.553  163.252   71.227  190.833   85.375 -27.58084 111.1856 
1 1 1   12   18   23 o  221.547   63.313  168.268   96.741  243.320  120.028   29.122  163.431  262.862   93.288  180.232   85.623 82.63011 126.6254 
1 1 1   12   18   24 o  227.335   64.484  188.609  102.412  272.532  125.427   20.749  177.387  274.265   95.521  180.406   86.651 93.85898 128.9676 
1 1 1   12   18   25 o  167.145   53.527   43.424   75.934   71.260   92.368 -14.6024  133.363  174.474   75.071  159.815   76.321 14.65881 107.0541 
1 1 1   12   18   26 o  271.197  115.308  458.309  213.286   0.0000   0.0000  458.309  213.286  ?   ?   271.197  115.308      ?      ? 
1 1 1   12   19    0 o  275.231   60.819  173.422   73.516  230.885  110.404  127.647   98.539  310.540   87.407  239.922   84.592 70.61861 121.6382 
1 1 1   12   19    1 o  244.403   58.333  134.235   66.040  119.098   90.544  151.441   96.532  232.732   81.153  256.073   83.815 -23.34161 116.6654 
1 1 1   12   19    2 o  234.952   71.296   57.015   70.533  201.089  242.375   43.685   73.724  294.665  123.977  175.239   70.444 119.4255 142.5926 
1 1 1   12   19    3 o  434.790   69.601  492.655  119.567  610.985  157.332  330.879  183.962  521.877   77.253  347.702  115.797 174.1749 139.2013 
1 1 1   12   19    4 o  198.506   54.198   72.557   60.060   93.770   74.271   32.472  102.096  209.826   73.480  187.187   79.688 22.63878 108.3951 
1 1 1   12   19    5 o  378.634   85.807  343.466  123.855  343.466  123.855   0.0000   0.0000  378.634   85.807  ?   ?       ?      ? 
1 1 1   12   19    6 o  145.396   47.118   1.6499   36.615   5.1850   38.289 -36.1514  125.206  115.130   48.901  175.662   80.554 -60.53180 94.23521 
1 1 1   12   19    7 o  501.553  149.631  868.453  315.071  868.453  315.071   0.0000   0.0000  501.553  149.631  ?   ?       ?      ? 
1 1 1   12   19    8 o  179.954   54.099   42.027   54.401   50.250   59.015  -4.4761  140.342  167.846   64.335  192.062   86.992 -24.21597 108.1974 
1 1 1   12   19    9 f  419.134   93.070  561.271  168.474  451.379  218.138  723.721  265.221  373.153  126.099  465.116  136.921 -91.96338 186.1405 
1 1 1   12   19   10 o  145.147   52.848 -27.9302   24.785 -28.9942   24.997   33.834  190.453   70.483   33.485  219.812  100.251 -149.3293 105.6951 
1 1 1   12   19   11 o  221.292   65.305   82.618   55.640   78.749   57.338  145.090  230.395  188.784   64.646  253.799  113.490 -65.01486 130.6103 
1 1 1   12   19   12 o  228.290   63.054  125.193   68.854  140.685   71.128 -105.5737  274.523  241.660   70.840  214.919  104.332 26.74127 126.1087 
1 1 1   12   19   13 o  167.260   58.949  -1.6747   38.197  -1.5438   38.590  -8.0100  268.474  109.158   47.727  225.362  107.807 -116.2044 117.8987 
1 1 1   12   19   14 o  323.964  111.801  339.233  171.633  339.233  171.633   0.0000   0.0000  323.964  111.801  ?   ?       ?      ? 
1 1 1   12   19   15 o  316.602  110.722  327.197  168.604  327.197  168.604   0.0000   0.0000  316.602  110.722  ?   ?       ?      ? 
1 1 1   12   19   16 o  262.789   74.248  209.232  116.491  287.149  172.091  143.334  158.262  291.564  110.313  234.014   99.409 57.55020 148.4958 
1 1 1   12   19   17 o  156.788   49.914  -3.9893   50.626 -22.6838   56.417   73.299  114.713  117.571   53.973  196.006   83.980 -78.43547 99.82814 
1 1 1   12   19   18 o  221.918   59.615  132.824   85.265  211.296  102.480 -43.6911  153.700  270.879   86.161  172.956   82.412 97.92320 119.2293 
1 1 1   12   19   19 o  236.932   66.565  190.017   96.854  217.527  111.672  106.501  194.577  263.352   90.217  210.513   97.900 52.83853 133.1298 
1 1 1   12   19   20 o  182.530   56.889   69.012   72.090   77.271   80.415   35.202  162.704  180.072   73.153  184.988   87.144 -4.916046 113.7781 
1 1 1   12   19   21 o  135.076   45.613 -27.4117   54.412 -24.0088   60.608 -41.5493  123.535  117.517   54.647  152.635   73.046 -35.11787 91.22514 
1 1 1   12   19   22 o  182.137   57.370   58.441   74.577   23.037   88.261  146.811  139.441  154.445   69.558  209.830   91.253 -55.38484 114.7409 
1 1 1   12   19   23 o  260.133   98.224  263.574  136.267  263.574  136.267   0.0000   0.0000  260.133   98.224  ?   ?       ?      ? 
1 1 1   12   19   24 o  168.414   53.571   51.187   72.869   71.650   85.396  -3.6181  139.755  172.986   73.228  163.842   78.212 9.143677 107.1424 
1 1 1   12   19   25 o  295.253   82.968  495.390  168.768  148.786  226.990  923.841  252.372  197.621   95.682  392.885  135.571 -195.2644 165.9358 
1 1 1   12   20    0 o  265.059   77.917  113.217   87.589  343.842  275.160   87.214   92.396  322.155  133.554  207.964   80.295 114.1909 155.8330 
1 1 1   12   20    1 o  201.521   48.922   59.129   56.533  169.648   81.602 -42.8671   78.393  267.504   75.094  135.539   62.723 131.9645 97.84311 
1 1 1   12   20    2 o  261.555   76.110  113.991   97.319  320.750  238.014   72.486  106.641  318.057  127.025  205.053   83.877 113.0041 152.2193 
1 1 1   12   20    3 o  370.197   72.186  389.543  112.645  458.797  144.042  280.507  180.740  430.260   88.735  310.135  113.882 120.1249 144.3710 
1 1 1   12   20    4 o  243.252   58.383  142.359   75.546  212.987   95.330   23.121  123.865  295.050   80.539  191.454   84.545 103.5959 116.7663 
1 1 1   12   20    5 o  221.253   79.536  112.413   87.514  112.413   87.514   0.0000   0.0000  221.253   79.536  ?   ?       ?      ? 
1 1 1   12   20    6 o  177.512   54.452   37.602   57.631   50.579   62.080 -43.3136  155.022  168.637   65.620  186.388   86.915 -17.75117 108.9039 
1 1 1   12   20    7 o  285.134   70.385  210.930   88.223  193.538  101.913  262.932  176.228  274.885   85.721  295.383  111.661 -20.49829 140.7706 
1 1 1   12   20    8 o  339.178  123.869  395.768  213.412  395.768  213.412   0.0000   0.0000  339.178  123.869  ?   ?       ?      ? 
1 1 1   12   20   10 o  327.208   90.820  396.291  165.005  345.368  207.483  483.916  272.171  314.345  120.597  340.072  135.828 -25.72705 181.6397 
1 1 1   12   20   11 o  332.916   81.215  288.001   98.299  250.650  105.115  548.313  277.501  309.833   84.571  355.998  138.677 -46.16516 162.4304 
1 1 1   12   20   12 o  269.930   66.075  217.230   87.961  243.218   96.555   90.433  213.279  309.254   79.552  230.607  105.524 78.64697 132.1507 
1 1 1   12   20   13 o  156.295   52.239 -23.8748   41.568 -33.1917   43.272   87.459  149.582   97.670   45.669  214.920   93.967 -117.2501 104.4771 
1 1 1   12   20   14 o   60.693   30.198 -66.9697   28.117 -66.9697   28.117   0.0000   0.0000   60.693   30.198  ?   ?       ?      ? 
1 1 1   12   20   15 o  119.591   53.332  -5.6929   50.511  -5.6929   50.511   0.0000   0.0000  119.591   53.332  ?   ?       ?      ? 
1 1 1   12   20   16 f  215.229   60.837  123.347   75.999  138.793   86.661   71.901  158.156  227.083   79.382  203.374   92.211 23.70840 121.6733 
1 1 1   12   20   17 o  252.670   66.521  212.593   89.430  226.335  104.479  174.931  172.967  275.655   86.925  229.684  100.717 45.97081 133.0412 
1 1 1   12   20   18 o  248.765   64.988  221.663   94.044  263.922  109.493  102.797  183.633  292.512   88.423  205.018   95.265 87.49449 129.9767 
1 1 1   12   20   19 o  152.527   51.533 -35.9059   83.757  -6.4131  100.055 -104.9667  153.108  151.179   70.272  153.875   75.394 -2.695953 103.0650 
1 1 1   12   20   20 o  159.374   54.330 -50.4381   99.394 -103.6909  133.094   16.710  149.452  144.334   70.629  174.414   82.574 -30.07997 108.6596 
1 1 1   12   20   21 o  211.073   69.868  162.551  142.320  163.721  240.224  161.918  176.662  210.434  101.010  211.712   96.555 -1.278488 139.7353 
1 1 1   12   20   22 o  180.190   60.667   37.418  116.786   41.059  175.861   34.545  156.202  182.659   87.344  177.721   84.220 4.938217 121.3344 
1 1 1   12   20   23 o  165.319   79.640 -10.2164  152.472 -10.2164  152.472   0.0000   0.0000  165.319   79.640  ?   ?       ?      ? 
1 1 1   12   21    0 o  199.950   54.089   58.635   64.489  160.216   97.858 -19.3474   85.741  251.235   84.461  148.665   67.594 102.5705 108.1786 
1 1 1   12   21    1 o  248.068   63.770  158.093   81.944  193.165  110.239  114.784  122.501  270.635   89.616  225.500   90.750 45.13518 127.5408 
1 1 1   12   21    2 o  424.877  103.232  691.197  199.516  908.279  338.006  575.117  247.168  453.750  156.877  396.003  134.226 57.74701 206.4633 
1 1 1   12   21    3 o  367.530   71.230  409.707  117.595  538.824  154.168  230.064  181.847  458.114   89.446  276.945  110.880 181.1688 142.4598 
1 1 1   12   21    4 o  247.850   73.220  154.681  123.881   46.355  209.223  213.158  153.724  223.751  103.165  271.949  103.930 -48.19772 146.4394 
1 1 1   12   21    5 o  228.245  101.267   94.227  179.762   94.227  179.762   0.0000   0.0000  228.245  101.267  ?   ?       ?      ? 
1 1 1   12   21    6 o  194.815   63.317   1.7019  110.941 -35.9528  161.709   35.183  152.485  187.395   87.834  202.234   91.222 -14.83891 126.6342 
1 1 1   12   21    7 o  245.031   74.369  148.712  128.194  202.189  186.234  100.556  176.727  262.150  109.374  227.913  100.798 34.23758 148.7379 
1 1 1   12   21    8 o  253.756   76.611  168.519  131.518  110.210  168.904  258.317  209.606  228.690   99.923  278.822  116.157 -50.13243 153.2226 
1 1 1   12   21    9 o  411.226  158.609  902.258  360.231   0.0000   0.0000  902.258  360.231  ?   ?   411.226  158.609      ?      ? 
1 1 1   12   21   10 o  322.532   91.406  433.647  179.023  484.013  238.632  368.810  270.754  347.427  130.232  297.638  128.295 49.78952 182.8114 
1 1 1   12   21   11 o  175.173   57.980 -36.5158   96.873 -73.1490  125.975   16.494  151.539  157.563   74.947  192.783   88.485 -35.21928 115.9595 
1 1 1   12   21   12 o  197.068   61.288   60.947   91.238   68.142  126.798   53.222  131.383  199.006   86.775  195.130   86.574 3.875488 122.5766 
1 1 1   12   21   13 o  236.785   69.919  158.318  108.159  108.575  146.328  218.225  160.583  215.633   93.628  257.938  103.868 -42.30446 139.8383 
1 1 1   12   21   14 o  203.903   90.355   86.255  142.682   86.255  142.682   0.0000   0.0000  203.903   90.355  ?   ?       ?      ? 
1 1 1   12   21   15 o  139.520   67.189 -80.6861  108.310 -80.6861  108.310   0.0000   0.0000  139.520   67.189  ?   ?       ?      ? 
1 1 1   12   21   16 o  125.889   58.214 -20.8119   67.343 -20.8119   67.343   0.0000   0.0000  125.889   58.214  ?   ?       ?      ? 
1 1 1   12   21   17 o  104.461   49.926 -51.6455   57.310 -51.6455   57.310   0.0000   0.0000  104.461   49.926  ?   ?       ?      ? 
1 1 1   12   21   18 o  165.481   77.399   10.362  124.436   10.362  124.436   0.0000   0.0000  165.481   77.399  ?   ?       ?      ? 
1 1 1   12   21   19 o  200.625   79.131  117.125   91.307  117.125   91.307   0.0000   0.0000  200.625   79.131  ?   ?       ?      ? 
1 1 1   12   21   20 o  131.422   61.390 -21.8259   77.873 -21.8259   77.873   0.0000   0.0000  131.422   61.390  ?   ?       ?      ? 
1 1 1   12   21   21 o  164.706   71.731   53.281   86.408   53.281   86.408   0.0000   0.0000  164.706   71.731  ?   ?       ?      ? 
1 1 1   12   21   22 f  218.799   59.049  158.666  103.803  301.804  117.281 -358.9191  223.019  292.107   92.095  145.492   73.930 146.6153 118.0981 
1 1 1   12   22    0 f  192.153   56.648   52.961   74.602  118.104  103.609 -17.1743  107.507  221.102   85.123  163.203   74.768 57.89951 113.2966 
1 1 1   12   22    1 o  163.477   52.093 -12.9996   74.219   47.614   90.692 -135.9037  129.142  179.430   75.683  147.525   71.602 31.90482 104.1865 
1 1 1   12   22    2 o  242.028  100.401  153.258  155.649   0.0000   0.0000  153.258  155.649  ?   ?   242.028  100.401      ?      ? 
1 1 1   12   22    3 o  195.104   60.564   48.178   89.337   76.445  114.434   4.0645  142.955  202.214   85.139  187.993   86.159 14.22119 121.1284 
1 1 1   12   22    4 o  166.159   54.910 -22.7271   78.491  -5.3217   89.271 -82.0203  164.768  154.953   69.855  177.364   84.738 -22.41086 109.8192 
1 1 1   12   22    5 o  207.095   78.961   99.446   88.602   99.446   88.602   0.0000   0.0000  207.095   78.961  ?   ?       ?      ? 
1 1 1   12   22    6 o  356.674   79.241  428.912  125.183  443.305  147.949  392.637  234.868  398.901   96.166  314.448  125.970 84.45255 158.4816 
1 1 1   12   22    7 o  177.393   57.351   18.604   70.715   24.075   76.992 -10.9053  178.813  158.603   68.389  196.182   92.083 -37.57927 114.7015 
1 1 1   12   22    8 o  184.504   59.710   24.292   72.632   19.888   78.629   49.906  189.623  157.149   68.433  211.859   97.868 -54.70963 119.4208 
1 1 1   12   22    9 o  162.603   57.551 -56.1742   53.842 -65.3287   55.509   89.340  221.310  100.526   48.332  224.680  104.462 -124.1545 115.1010 
1 1 1   12   22   10 o  158.622   54.746 -23.7542   54.130 -25.9490   56.179   4.6952  202.262  115.743   53.398  201.500   95.589 -85.75646 109.4927 
1 1 1   12   22   11 o  289.518   69.990  282.549   99.073  304.219  117.157  228.152  185.619  325.567   89.457  253.469  107.665 72.09853 139.9800 
1 1 1   12   22   12 o  208.479   60.895  112.259   76.244  115.671   88.014  102.000  152.619  208.868   78.923  208.089   92.758 0.7785492 121.7904 
1 1 1   12   22   13 f  213.836   61.777  132.423   80.219  145.883   90.621   83.678  172.449  225.610   80.953  202.062   93.339 23.54771 123.5533 
1 1 1   12   22   14 o  172.203   71.758   62.612   80.022   62.612   80.022   0.0000   0.0000  172.203   71.758  ?   ?       ?      ? 
1 1 1   12   22   15 o   86.716   42.841 -95.9579   52.899 -95.9579   52.899   0.0000   0.0000   86.716   42.841  ?   ?       ?      ? 
1 1 1   12   22   16 o  144.885   64.646   16.671   74.320   16.671   74.320   0.0000   0.0000  144.885   64.646  ?   ?       ?      ? 
1 1 1   12   22   17 o  188.343   60.773   73.990   80.672   63.590   87.889  129.622  203.280  171.951   73.586  204.735   96.739 -32.78410 121.5457 
1 1 1   12   22   18 o  211.367   69.479  129.299  131.903   14.627  165.258  330.588  218.949  176.625   84.516  246.110  110.301 -69.48494 138.9579 
1 1 1   12   22   19 o  207.326   69.308  125.599  140.446   6.6291  176.641  330.069  231.572  176.002   85.019  238.649  109.480 -62.64684 138.6150 
1 1 1   12   22   20 o  159.059   54.253  -3.1054   84.295   12.512   91.234 -94.2132  220.360  149.278   68.568  168.839   84.094 -19.56088 108.5057 
1 1 1   12   23    0 o  264.216   66.765  213.558  104.452  304.819  126.426   17.302  185.399  325.751   94.146  202.681   94.692 123.0700 133.5296 
1 1 1   12   23    1 o  308.199   73.354  331.445  123.432  424.932  150.314  137.894  216.283  380.236   99.976  236.163  107.369 144.0727 146.7076 
1 1 1   12   23    2 o  173.739   59.536 -121.7704  120.927 -21.0509  188.237 -192.5477  157.795  195.151   92.472  152.328   75.013 42.82310 119.0715 
1 1 1   12   23    3 o  223.465   68.625  116.572  104.367  110.919  122.771  131.305  198.182  215.273   89.224  231.658  104.291 -16.38405 137.2501 
1 1 1   12   23    4 o  224.877   68.330  125.342  100.770  130.149  114.738  109.128  210.732  223.089   88.479  226.665  104.150 -3.575836 136.6592 
1 1 1   12   23    5 o  249.639   89.938  178.771  111.963  178.771  111.963   0.0000   0.0000  249.639   89.938  ?   ?       ?      ? 
1 1 1   12   23    6 o  201.157   62.375   78.679   81.396   84.423   89.251   50.291  198.415  193.570   77.616  208.743   97.665 -15.17281 124.7507 
1 1 1   12   23    7 o  188.818   61.476   37.792   88.445   40.792   97.817   24.351  207.064  174.077   76.052  203.558   96.610 -29.48070 122.9523 
1 1 1   12   23    8 o  285.686  125.463  427.621  269.295   0.0000   0.0000  427.621  269.295  ?   ?   285.686  125.463      ?      ? 
1 1 1   12   23    9 o  239.445   71.139  198.939  113.174  214.603  128.634  145.270  238.106  255.345   95.635  223.544  105.342 31.80019 142.2782 
1 1 1   12   23   10 o  155.676   52.770 -16.7977   64.988 -16.6950   69.859 -17.4579  177.151  130.128   59.857  181.224   86.924 -51.09619 105.5393 
1 1 1   12   23   11 o  239.125   67.542  204.966  105.401  270.792  131.716   87.771  175.750  277.791   97.817  200.459   93.164 77.33226 135.0837 
1 1 1   12   23   12 o  184.542   59.090   65.676   89.221   81.595  105.494   25.684  167.210  186.022   80.133  183.062   86.863 2.959946 118.1800 
1 1 1   12   23   13 o  148.365   52.682 -135.8186   65.513 -179.9098   70.592  137.891  175.885   88.641   44.633  208.090   95.443 -119.4500 105.3638 
1 1 1   12   23   14 o  197.108   79.415  110.538   93.928  110.538   93.928   0.0000   0.0000  197.108   79.415  ?   ?       ?      ? 
1 1 1   12   23   15 f  235.413   87.008  183.492  105.780  183.492  105.780   0.0000   0.0000  235.413   87.008  ?   ?       ?      ? 
1 1 1   12   23   16 o  195.269   79.987  109.638   97.149  109.638   97.149   0.0000   0.0000  195.269   79.987  ?   ?       ?      ? 
1 1 1   12   23   17 o  198.441   60.347  121.467   96.944  176.929  104.607 -216.0338  258.047  229.286   86.170  167.596   84.509 61.68973 120.6942 
1 1 1   12   23   18 o  150.100   52.420 -34.3428   75.790 -23.1072   79.720 -139.9242  244.380  130.941   61.468  169.260   84.931 -38.31813 104.8410 
1 1 1   12   23   19 o  188.715   65.927   72.418  171.723   1.8803  221.408  178.910  272.043  177.181   87.554  200.249   98.588 -23.06848 131.8534 
1 1 1   12   24    0 o  124.350   60.937 -128.1476  100.127 -128.1476  100.127   0.0000   0.0000  124.350   60.937  ?   ?       ?      ? 
1 1 1   12   24    1 o  423.061  116.565  642.862  198.602  642.862  198.602   0.0000   0.0000  423.061  116.565  ?   ?       ?      ? 
1 1 1   12   24    2 f  233.163   75.157  184.183  153.163  258.228  214.322  106.897  218.962  250.661  110.924  215.664  101.442 34.99689 150.3149 
1 1 1   12   24    3 o  197.539   63.982   68.045   98.896   60.689  112.433   93.193  207.885  184.158   80.967  210.919   99.092 -26.76129 127.9646 
1 1 1   12   24    4 o  239.796   71.302  198.041  108.668  192.217  125.595  215.384  216.734  243.047   93.678  236.544  107.518 6.503098 142.6035 
1 1 1   12   24    5 o  281.862   97.852  271.011  131.570  271.011  131.570   0.0000   0.0000  281.862   97.852  ?   ?       ?      ? 
1 1 1   12   24    6 o  220.689   63.576  154.727   90.254  182.893  103.364   64.341  185.162  243.483   86.553  197.896   93.146 45.58621 127.1520 
1 1 1   12   24    7 o  267.462   71.437  281.187  108.420  309.962  131.492  220.079  191.618  300.867   97.791  234.057  104.164 66.81061 142.8747 
1 1 1   12   24    8 o  164.022   53.086   23.428   73.544   44.138   85.521 -35.3687  144.097  164.140   71.424  163.904   78.558 0.2364197 106.1730 
1 1 1   12   24    9 o  213.169   63.981  136.966   85.414  120.532   99.065  184.576  168.613  203.753   81.746  222.585   98.449 -18.83173 127.9628 
1 1 1   12   24   10 o  286.828   73.966  342.586  110.366  340.050  129.065  349.488  212.887  315.762   96.124  257.893  112.445 57.86868 147.9317 
1 1 1   12   24   11 o  125.628   44.788 -75.0315   51.857 -71.8556   54.762 -102.5993  161.342   95.018   46.235  156.239   76.723 -61.22100 89.57671 
1 1 1   12   24   12 o  165.447   56.277  -4.6967   74.427 -20.9977   80.483   91.549  195.564  133.919   62.507  196.975   93.602 -63.05577 112.5548 
1 1 1   12   24   13 o  161.066   70.940   41.425   86.653   41.425   86.653   0.0000   0.0000  161.066   70.940  ?   ?       ?      ? 
1 1 1   12   24   14 o  162.435   72.100   42.109   91.219   42.109   91.219   0.0000   0.0000  162.435   72.100  ?   ?       ?      ? 
1 1 1   12   24   15 o  194.330   80.948  111.859  101.776  111.859  101.776   0.0000   0.0000  194.330   80.948  ?   ?       ?      ? 
1 1 1   12   24   16 o  129.774   60.853 -22.1289   77.761 -22.1289   77.761   0.0000   0.0000  129.774   60.853  ?   ?       ?      ? 
1 1 1   12   25    0 o  142.564   47.172 -22.2503   65.768   24.539   73.931 -199.7098  143.981  149.026   65.585  136.101   67.819 12.92447 94.34418 
1 1 1   12   25    1 o  164.748   52.680   33.716   69.515   57.182   78.408 -52.4820  150.276  167.454   70.488  162.041   78.310 5.412750 105.3607 
1 1 1   12   25    2 o  162.633   52.950   21.237   73.449   45.036   82.901 -65.6353  158.387  162.833   70.587  162.434   78.944 0.3997955 105.8995 
1 1 1   12   25    3 o  269.751   69.104  296.410  107.371  342.961  126.730  177.992  202.129  321.790   94.623  217.713  100.738 104.0778 138.2088 
1 1 1   12   25    4 o  121.709   42.961 -104.7161   60.550 -95.7580   67.108 -143.9508  140.443  101.615   49.814  141.803   70.008 -40.18813 85.92209 
1 1 1   12   25    5 o  201.753   62.913   99.649   82.411   69.243   93.195  208.697  176.488  176.600   75.680  226.906  100.523 -50.30621 125.8264 
1 1 1   12   25    6 o  159.572   52.269   13.786   69.840   8.1773   81.628   29.109  134.915  145.512   66.080  173.631   81.005 -28.11829 104.5389 
1 1 1   12   25    7 o  157.811   51.753   10.335   72.078   10.675   87.095   9.5950  128.402  149.303   67.977  166.318   78.054 -17.01424 103.5056 
1 1 1   12   25    8 f  195.265   59.829  106.781   87.690  141.354  104.782   25.968  160.197  211.923   84.394  178.607   84.828 33.31496 119.6585 
1 1 1   12   25    9 o  179.951   58.753   37.883   76.277   6.4578   85.009  167.705  172.784  146.316   66.826  213.586   96.653 -67.26959 117.5052 
1 1 1   12   25   10 o  138.617   50.133 -116.6078   58.091 -138.5066   61.355   72.955  180.517   86.399   43.238  190.835   90.465 -104.4362 100.2666 
1 1 1   12   25   11 o  231.448   68.689  215.185  104.201  216.499  114.743  209.003  248.862  247.860   90.780  215.035  103.110 32.82451 137.3785 
1 1 1   12   25   12 o  191.010   63.927   82.082  100.944   75.082  107.220  136.673  299.438  178.827   78.830  203.192  100.662 -24.36482 127.8550 
1 1 1   12   25   13 o  250.745  101.601  281.029  154.686  281.029  154.686   0.0000   0.0000  250.745  101.601  ?   ?       ?      ? 
1 1 1   12   25   14 o  170.892   79.655   46.054  129.992   46.054  129.992   0.0000   0.0000  170.892   79.655  ?   ?       ?      ? 
1 1 1   12   26    0 o  206.269   60.484  136.156   86.982  174.983   99.568   11.038  178.735  233.125   84.689  179.413   86.378 53.71196 120.9686 
1 1 1   12   26    1 o  183.355   59.308   51.979   77.494   22.826   86.840  165.976  171.722  153.539   69.087  213.172   96.420 -59.63324 118.6165 
1 1 1   12   26    2 o  183.657   58.889   69.845   81.377   64.047   92.133   90.416  173.547  172.977   74.699  194.338   91.057 -21.36134 117.7771 
1 1 1   12   26    3 o  153.540   51.447 -10.1901   75.637   2.9831   87.207 -50.1884  151.959  146.161   67.100  160.920   78.004 -14.75885 102.8930 
1 1 1   12   26    4 o  159.535   53.805 -24.8841   75.201 -61.9928   85.929   96.520  155.424  125.318   60.223  193.752   89.181 -68.43328 107.6106 
1 1 1   12   26    5 o  152.623   51.317 -14.3962   76.620   0.0448   88.324 -58.3112  154.023  145.458   67.054  159.787   77.702 -14.32899 102.6342 
1 1 1   12   26    6 o  143.004   48.913 -52.0713   75.803 -49.4709   89.651 -58.5923  141.972  130.923   62.538  155.085   75.226 -24.16129 97.82621 
1 1 1   12   26    7 o  156.802   52.755 -12.7295   85.827   12.427  102.122 -73.2368  158.379  155.632   71.869  157.973   77.248 -2.340454 105.5103 
1 1 1   12   26    8 o  238.557   71.457  257.108  117.149  261.196  139.286  247.225  216.572  253.992   98.441  223.121  103.604 30.87051 142.9136 
1 1 1   12   26    9 o  182.620   59.546   74.526   98.560  107.055  110.351 -53.7487  219.135  191.133   82.142  174.108   86.228 17.02502 119.0910 
1 1 1   12   26   10 o  142.688   50.911 -90.8040   78.791 -90.0030   83.939 -96.7393  228.498  115.606   56.469  169.769   84.729 -54.16307 101.8218 
1 1 1   12   26   11 o  311.668   96.895  394.643  130.191  252.868  134.842  2344.18  500.023  245.898   96.425  377.438  168.098 -131.5403 193.7905 
1 1 1   12   27    0 o  169.615   56.819 -27.2209  106.580  145.108  148.618 -209.6907  152.928  203.453   91.051  135.776   67.994 67.67717 113.6377 
1 1 1   12   27    1 o  178.916   59.309   56.012  103.892   45.552  140.409   68.669  154.442  174.932   81.945  182.900   85.762 -7.967789 118.6178 
1 1 1   12   27    2 o  180.494   58.971   64.424   97.225   20.608  132.086  116.236  143.633  166.576   78.485  194.412   88.036 -27.83636 117.9419 
1 1 1   12   27    3 o  192.923   61.584  102.002   98.182   39.507  130.415  183.765  149.170  170.689   79.636  215.158   93.960 -44.46898 123.1680 
1 1 1   12   27    4 o  136.420   47.132 -83.5620   81.263 -66.3052  102.717 -112.4334  132.860  133.186   64.456  139.654   68.783 -6.468582 94.26368 
1 1 1   12   27    5 o  158.113   53.862 -24.4852   99.589   16.100  128.188 -86.2775  158.172  163.141   77.004  153.086   75.331 10.05415 107.7238 
1 1 1   12   27    6 o  167.223   80.545   5.6164  155.820   5.6164  155.820   0.0000   0.0000  167.223   80.545  ?   ?       ?      ? 
1 1 1   13    0    0 o  308.400   16.570  189.583   27.827  189.583   27.827  189.583   27.827  308.400   23.433  308.400   23.433 0.000000 0.000000 
1 1 1   13    0    1 o  460.359   17.688  419.238   44.635  419.238   44.635  419.238   44.635  460.359   25.014  460.359   25.014 0.000000 0.000000 
1 1 1   13    0    2 o  240.963   16.122  116.754   20.998  116.754   20.998  116.754   20.998  240.963   22.799  240.963   22.799 0.000000 0.000000 
1 1 1   13    0    3 o  405.301   17.027  325.305   37.777  325.305   37.777  325.305   37.777  405.301   24.079  405.301   24.079 0.000000 0.000000 
1 1 1   13    0    4 o  395.534   24.634  314.913   52.814  314.913   52.814  314.913   52.814  395.534   34.838  395.534   34.838 -0.000000 0.000000 
1 1 1   13    0    5 o  575.476   27.233  661.336   85.602  661.336   85.602  661.336   85.602  575.476   38.514  575.476   38.514 -0.000000 0.000000 
1 1 1   13    0    6 o  632.557   19.758  789.286   68.667  789.286   68.667  789.286   68.667  632.557   27.942  632.557   27.942 0.000000 0.000000 
1 1 1   13    0    7 o  371.665   16.603  273.652   33.744  273.652   33.744  273.652   33.744  371.665   23.480  371.665   23.480 0.000000 0.000000 
1 1 1   13    0    8 o  481.380   23.949  461.813   62.900  461.813   62.900  461.813   62.900  481.380   33.868  481.380   33.868 0.000000 0.000000 
1 1 1   13    0    9 o  281.943   17.763  159.296   27.134  159.296   27.134  159.296   27.134  281.943   25.120  281.943   25.120 0.000000 0.000000 
1 1 1   13    0   10 o  526.868   24.322  551.873   70.031  551.873   70.031  551.873   70.031  526.868   34.397  526.868   34.397 0.000000 0.000000 
1 1 1   13    0   11 o  999.889   33.815  1986.62  185.628  1986.62  185.628  1986.62  185.628  999.889   47.822  999.889   47.822 -0.000000 0.000000 
1 1 1   13    0   12 o   18.881   9.3678  -4.0326   3.7201  -4.0326   3.7201  -4.0326   3.7201   18.881   13.248   18.881   13.248 0.000000 0.000000 
1 1 1   13    0   20 o  777.769   31.212  1207.84  132.987  1207.84  132.987  1207.84  132.987  777.769   44.141  777.769   44.141 -0.000000 0.000000 
1 1 1   13    0   22 o  212.132   24.772   95.554   26.623   95.554   26.623   95.554   26.623  212.132   35.032  212.132   35.032 0.000000 0.000000 
1 1 1   13    0   23 o  189.916   25.787   78.544   24.146   78.544   24.146   78.544   24.146  189.916   36.468  189.916   36.468 -0.000000 0.000000 
1 1 1   13    0   24 f  128.702   28.441   41.076   17.719   41.076   17.719   41.076   17.719  128.702   40.221  128.702   40.221 0.000000 0.000000 
1 1 1   13    0   25 o  235.529   24.767  117.110   30.099  117.110   30.099  117.110   30.099  235.529   35.026  235.529   35.026 -0.000000 0.000000 
1 1 1   13    0   34 o  393.870   25.620  325.331   54.606  325.331   54.606  325.331   54.606  393.870   36.232  393.870   36.232 0.000000 0.000000 
1 1 1   13    1    0 o  467.193   21.595  425.965   36.943  450.715   65.366  414.349   44.781  475.879   35.199  458.507   25.027 17.37177 43.18928 
1 1 1   13    1    1 o  610.378   23.872  739.746   53.562  741.567   92.802  738.836   65.590  609.093   39.043  611.662   27.479 -2.568848 47.74303 
1 1 1   13    1    2 o  326.292   16.275  209.462   20.722  213.000   29.368  205.954   29.243  329.053   22.870  323.531   23.162 5.521698 32.55045 
1 1 1   13    1    3 o  588.363   19.078  682.878   43.804  684.751   62.007  681.012   61.890  589.171   26.969  587.555   26.992 1.616028 38.15627 
1 1 1   13    1    4 o  519.174   22.367  535.254   42.796  528.250   73.507  538.845   52.636  515.353   36.551  522.995   25.790 -7.642456 44.73343 
1 1 1   13    1    5 o  580.869   23.230  638.285   48.285  597.013   56.965  743.609   91.001  550.491   26.517  611.246   38.150 -60.75476 46.46083 
1 1 1   13    1    6 o  773.729   25.523  1206.78   75.377  1299.43   99.366  1081.21  115.683  810.841   31.403  736.617   40.244 74.22351 51.04604 
1 1 1   13    1    7 o  235.094   17.463  107.029   15.395  103.015   19.110  114.453   25.986  229.127   21.372  241.061   27.624 -11.93327 34.92643 
1 1 1   13    1    8 o  690.641   38.479  946.818  103.708   0.0000   0.0000  946.818  103.708  ?   ?   690.641   38.479      ?      ? 
1 1 1   13    1    9 f  688.278   23.980  952.896   62.950  1036.77   83.167  840.382   96.325  725.463   29.377  651.093   37.911 74.37061 47.96052 
1 1 1   13    1   10 o  642.112   25.982  806.234   64.703  912.812   98.270  724.673   85.966  679.038   37.085  605.185   36.400 73.85223 51.96400 
1 1 1   13    1   11 o  556.894   54.103  728.576   78.203  768.874   85.874  532.786  189.285  623.800   35.277  489.987  102.295 133.8127 108.2069 
1 1 1   13    1   13 o  641.190   39.522  814.752   98.892  814.752   98.892   0.0000   0.0000  641.190   39.522  ?   ?       ?      ? 
1 1 1   13    1   15 o  735.524   42.595  1076.37  122.260  1076.37  122.260   0.0000   0.0000  735.524   42.595  ?   ?       ?      ? 
1 1 1   13    1   16 o  384.149   33.912  291.732   50.838  291.732   50.838   0.0000   0.0000  384.149   33.912  ?   ?       ?      ? 
1 1 1   13    1   17 o  222.366   32.410   97.698   28.124   97.698   28.124   0.0000   0.0000  222.366   32.410  ?   ?       ?      ? 
1 1 1   13    1   18 o  524.070   33.241  543.317   67.983  543.317   67.983   0.0000   0.0000  524.070   33.241  ?   ?       ?      ? 
1 1 1   13    1   20 o  703.566   38.613  986.464  106.015  986.464  106.015   0.0000   0.0000  703.566   38.613  ?   ?       ?      ? 
1 1 1   13    1   21 o  904.426   45.892  1650.87  161.973  1650.87  161.973   0.0000   0.0000  904.426   45.892  ?   ?       ?      ? 
1 1 1   13    1   22 o  285.776   67.122  193.640   89.171  121.385  158.130  227.329  107.976  257.627  103.308  313.924   85.725 -56.29724 134.2431 
1 1 1   13    1   23 o  438.459   35.248  385.958   60.310  385.958   60.310   0.0000   0.0000  438.459   35.248  ?   ?       ?      ? 
1 1 1   13    1   29 o  147.677   24.868   45.395   14.002   56.816   22.029   37.653   18.138  162.769   35.666  132.585   34.665 30.18422 49.73680 
1 1 1   13    1   30 o  165.288   67.252   54.643   68.100   54.643   68.100   0.0000   0.0000  165.288   67.252  ?   ?       ?      ? 
1 1 1   13    1   33 o  166.165   25.203   59.734   15.831   72.838   23.825   49.374   21.184  183.073   34.616  149.257   36.640 33.81676 50.40613 
1 1 1   13    1   34 o  110.718   24.720   26.148   11.848   28.494   18.167   24.412   15.629  114.602   36.259  106.835   33.611 7.766769 49.44055 
1 1 1   13    2    0 o  324.972   20.329  210.982   24.302  201.730   41.550  215.792   29.961  318.774   33.400  331.170   23.183 -12.39639 40.65780 
1 1 1   13    2    1 o  391.880   20.706  302.847   29.888  306.023   51.709  301.254   36.626  392.574   33.753  391.187   23.992 1.386627 41.41109 
1 1 1   13    2    2 o  205.061   20.107   83.002   14.884   82.920   17.928   83.185   26.701  205.370   22.370  204.751   33.418 0.6187439 40.21392 
1 1 1   13    2    3 o  281.750   15.976  156.032   17.564  153.786   24.692  158.333   24.990  279.696   22.622  283.805   22.564 -4.109558 31.95123 
1 1 1   13    2    4 o  327.910   22.635  213.667   28.791  187.274   40.749  239.975   40.684  307.314   33.979  348.506   29.915 -41.19183 45.27068 
1 1 1   13    2    5 o  445.452   20.798  404.051   34.888  456.813   45.827  331.324   53.804  481.940   24.367  408.964   33.713 72.97583 41.59686 
1 1 1   13    2    6 f  809.554   27.438  1310.67   82.032  1326.77  101.289  1279.99  139.844  819.367   31.678  799.740   44.809 19.62714 54.87542 
1 1 1   13    2    7 o  362.103   19.985  268.491   26.947  303.048   34.837  217.021   42.516  392.870   22.723  331.336   32.881 61.53369 39.96904 
1 1 1   13    2    8 o  677.578   23.915  918.481   62.001  1126.16   87.827  712.158   87.540  755.849   29.776  599.308   37.431 156.5413 47.82918 
1 1 1   13    2    9 o  359.192   41.208  386.608   34.395  433.570   37.380  127.315   87.835  470.320   20.367  248.064   79.859 222.2561 82.41528 
1 1 1   13    2   10 o  1138.51   32.426  2590.70  142.817  3026.68  204.636  2176.70  199.411  1233.84   42.500  1043.17   48.985 190.6716 64.85220 
1 1 1   13    2   11 o  739.667  136.835  1289.66  380.422   0.0000   0.0000  1289.66  380.422  ?   ?   739.667  136.835      ?      ? 
1 1 1   13    2   13 o  771.525  142.246  1417.79  412.495  1417.79  412.495   0.0000   0.0000  771.525  142.246  ?   ?       ?      ? 
1 1 1   13    2   14 o  927.877  176.282  2238.93  614.969  2238.93  614.969   0.0000   0.0000  927.877  176.282  ?   ?       ?      ? 
1 1 1   13    2   15 o  343.030   85.625  256.975  114.262  256.975  114.262   0.0000   0.0000  343.030   85.625  ?   ?       ?      ? 
1 1 1   13    2   16 o  437.867   34.561  379.254   59.056  379.254   59.056   0.0000   0.0000  437.867   34.561  ?   ?       ?      ? 
1 1 1   13    2   17 o  250.310   28.728  123.473   28.061  123.473   28.061   0.0000   0.0000  250.310   28.728  ?   ?       ?      ? 
1 1 1   13    2   18 o  331.607   31.201  217.191   40.376  217.191   40.376   0.0000   0.0000  331.607   31.201  ?   ?       ?      ? 
1 1 1   13    2   19 o  448.744   32.418  398.390   56.770  398.390   56.770   0.0000   0.0000  448.744   32.418  ?   ?       ?      ? 
1 1 1   13    2   20 o  722.623   39.869  1042.36  112.429  1042.36  112.429   0.0000   0.0000  722.623   39.869  ?   ?       ?      ? 
1 1 1   13    2   21 o  566.497   35.264  639.094   77.959  639.094   77.959   0.0000   0.0000  566.497   35.264  ?   ?       ?      ? 
1 1 1   13    2   22 o  349.457   33.647  243.611   45.886  243.611   45.886   0.0000   0.0000  349.457   33.647  ?   ?       ?      ? 
1 1 1   13    2   25 o  260.097   76.737  163.803   83.226  163.803   83.226   0.0000   0.0000  260.097   76.737  ?   ?       ?      ? 
1 1 1   13    2   26 o  218.299   78.837  113.003   86.099  113.003   86.099   0.0000   0.0000  218.299   78.837  ?   ?       ?      ? 
1 1 1   13    2   27 o  201.947   77.421   91.039   85.473   91.039   85.473   0.0000   0.0000  201.947   77.421  ?   ?       ?      ? 
1 1 1   13    2   28 o  232.247   48.937  117.031   33.833  115.348   35.321  135.753  117.822  235.576   38.421  228.917   90.017 6.659714 97.87367 
1 1 1   13    2   29 o  269.459  107.159  254.669  168.722   0.0000   0.0000  254.669  168.722  ?   ?   269.459  107.159      ?      ? 
1 1 1   13    2   30 o  198.625   40.728   86.929   30.509   86.929   30.509   0.0000   0.0000  198.625   40.728  ?   ?       ?      ? 
1 1 1   13    2   34 o  141.321   27.048   44.818   14.984   45.130   24.472   44.631   18.952  140.557   41.649  142.085   34.521 -1.528809 54.09594 
1 1 1   13    3    0 o  481.038   21.751  453.974   38.446  446.517   46.874  469.301   67.205  476.140   25.227  485.936   35.440 -9.795959 43.50129 
1 1 1   13    3    1 o  591.189   38.891  697.093   89.723   0.0000   0.0000  697.093   89.723  ?   ?   591.189   38.891      ?      ? 
1 1 1   13    3    2 o  579.117   23.425  653.110   49.231  633.750   59.168  696.672   88.755  566.990   26.741  591.245   38.468 -24.25543 46.84919 
1 1 1   13    3    3 o  218.827   17.140   90.803   13.919   83.914   16.942  105.110   24.415  206.742   21.000  230.912   27.095 -24.17097 34.27979 
1 1 1   13    3    4 o  315.368   19.338  197.395   22.774  200.922   28.501  191.167   37.875  319.769   22.840  310.967   31.211 8.802521 38.67541 
1 1 1   13    3    5 o  216.558   19.029   90.987   15.681   65.871   20.909  123.275   23.706  182.717   29.323  250.398   24.261 -67.68076 38.05838 
1 1 1   13    3    6 o  797.958   25.924  1261.37   79.479  1574.19  116.092  985.402  109.040  892.094   33.347  703.822   39.700 188.2719 51.84736 
1 1 1   13    3    7 o  444.946   21.986  406.591   35.944  447.281   45.336  337.724   58.979  477.115   24.350  412.777   36.615 64.33786 43.97189 
1 1 1   13    3    8 o  1125.10   39.754  2526.14  172.911  2787.22  267.534  2338.83  226.600  1172.84   58.453  1077.36   53.897 95.47791 79.50896 
1 1 1   13    3    9 o  522.817   58.151  677.446   74.200  717.745   80.464  448.415  191.822  602.729   34.209  442.905  111.158 159.8243 116.3025 
1 1 1   13    3   10 o  508.491   54.062  546.226   65.513  547.834   69.789  534.291  190.088  526.759   33.950  490.223  102.655 36.53580 108.1230 
1 1 1   13    3   11 o  587.098   60.590  920.568   92.143  1038.05  103.299  463.106  203.840  724.536   36.535  449.660  115.542 274.8756 121.1810 
1 1 1   13    3   12 o  583.994   35.268  673.722   80.376  673.722   80.376   0.0000   0.0000  583.994   35.268  ?   ?       ?      ? 
1 1 1   13    3   13 o  249.407   73.055  130.785   75.671  130.785   75.671   0.0000   0.0000  249.407   73.055  ?   ?       ?      ? 
1 1 1   13    3   14 o  331.928   84.168  239.383  109.180  239.383  109.180   0.0000   0.0000  331.928   84.168  ?   ?       ?      ? 
1 1 1   13    3   15 o  602.806  117.553  834.731  266.599  834.731  266.599   0.0000   0.0000  602.806  117.553  ?   ?       ?      ? 
1 1 1   13    3   16 o  421.030   95.030  394.495  152.432  394.495  152.432   0.0000   0.0000  421.030   95.030  ?   ?       ?      ? 
1 1 1   13    3   17 o  861.779   45.658  1485.99  153.547  1485.99  153.547   0.0000   0.0000  861.779   45.658  ?   ?       ?      ? 
1 1 1   13    3   18 f  257.794   34.581  131.642   34.789  131.642   34.789   0.0000   0.0000  257.794   34.581  ?   ?       ?      ? 
1 1 1   13    3   19 o  729.892   40.781  1062.76  116.158  1062.76  116.158   0.0000   0.0000  729.892   40.781  ?   ?       ?      ? 
1 1 1   13    3   20 o  422.028   98.608  409.881  159.474  409.881  159.474   0.0000   0.0000  422.028   98.608  ?   ?       ?      ? 
1 1 1   13    3   21 o  370.280   96.454  320.873  140.764  320.873  140.764   0.0000   0.0000  370.280   96.454  ?   ?       ?      ? 
1 1 1   13    3   22 o  169.275   46.365   39.201   36.271   66.006   82.031   32.687   40.439  196.409   75.706  142.141   53.546 54.26819 92.72904 
1 1 1   13    3   23 o  193.088   38.485   80.767   25.889   83.471   28.466   67.827   62.268  200.374   37.791  185.802   67.053 14.57263 76.96906 
1 1 1   13    3   24 o  454.737   30.227  414.293   53.639  414.293   53.639   0.0000   0.0000  454.737   30.227  ?   ?       ?      ? 
1 1 1   13    3   25 f  208.220   44.520   93.534   30.966   93.846   33.104   91.352   87.593  209.854   41.890  206.586   78.571 3.268799 89.04040 
1 1 1   13    3   26 o  148.377   46.181   46.930   29.595   46.930   29.595   0.0000   0.0000  148.377   46.181  ?   ?       ?      ? 
1 1 1   13    3   27 o  431.652   61.293  419.933  103.248  419.933  103.248   0.0000   0.0000  431.652   61.293  ?   ?       ?      ? 
1 1 1   13    3   28 o  193.887   46.396   87.607   33.633   92.821   35.129   30.268  116.498  205.609   45.029  182.165   81.134 23.44334 92.79152 
1 1 1   13    3   29 o  257.208   51.357  166.332   38.549  167.145   40.027  155.921  143.196  283.301   36.205  231.114   96.123 52.18681 102.7150 
1 1 1   13    3   30 o  176.103   48.606   44.779   27.224   38.088   28.141  142.472  107.531  133.342   45.290  218.863   86.018 -85.52020 97.21239 
1 1 1   13    3   31 o  200.020   45.398  100.299   33.610  101.272   35.828   93.165   97.039  210.981   44.894  189.058   78.921 21.92235 90.79679 
1 1 1   13    3   32 f  206.362   39.555  128.536   35.694  148.232   38.163  -9.0568  100.869  263.230   37.151  149.495   69.844 113.7352 79.11053 
1 1 1   13    3   33 o  113.097   36.975   6.7299   20.012   8.1007   20.583 -16.9426   85.537   88.813   36.649  137.382   64.229 -48.56869 73.94939 
1 1 1   13    3   34 o  174.809   39.436   81.674   25.838   86.739   26.733   9.8288  100.680  198.652   35.802  150.966   70.279 47.68536 78.87257 
1 1 1   13    4    0 o  351.396   44.953  336.513   34.428  356.943   36.437  166.426  105.133  426.293   21.903  276.499   87.197 149.7935 89.90607 
1 1 1   13    4    1 o  318.371   18.868  186.551   22.300  160.251   26.954  243.604   39.698  285.431   24.198  351.312   28.957 -65.88083 37.73664 
1 1 1   13    4    2 o  758.347   30.926  1136.85   90.870  1276.80  139.005  1032.41  120.081  798.194   44.626  718.500   42.827 79.69360 61.85169 
1 1 1   13    4    3 o  417.351   20.900  354.586   32.672  392.045   42.208  298.586   51.606  446.505   24.224  388.198   34.066 58.30753 41.80025 
1 1 1   13    4    4 o  409.358   20.299  334.667   31.129  346.600   39.311  314.603   50.972  419.916   23.989  398.801   32.752 21.11578 40.59806 
1 1 1   13    4    5 o  366.227   22.792  255.481   31.857  345.981   50.292  194.833   41.171  418.644   30.784  313.809   33.619 104.8347 45.58425 
1 1 1   13    4    6 o  350.708   44.263  259.678   40.331  249.020  108.664  261.381   43.433  337.430   83.077  363.987   30.578 -26.55707 88.52530 
1 1 1   13    4    7 o  291.788   19.371  164.323   21.384  230.216   32.632  114.726   28.311  342.332   24.427  241.244   30.072 101.0879 38.74260 
1 1 1   13    4    8 o  637.707   61.151  1050.90  107.825  1205.24  123.852  567.636  219.156  778.905   40.746  496.509  115.316 282.3965 122.3030 
1 1 1   13    4    9 o  184.211   61.676   65.638   52.179   65.638   52.179   0.0000   0.0000  184.211   61.676  ?   ?       ?      ? 
1 1 1   13    4   10 o  400.643   28.698  315.815   44.868  315.815   44.868   0.0000   0.0000  400.643   28.698  ?   ?       ?      ? 
1 1 1   13    4   11 o  699.450   36.485  967.273   99.586  967.273   99.586   0.0000   0.0000  699.450   36.485  ?   ?       ?      ? 
1 1 1   13    4   12 o  957.739   90.819  2196.91  183.989  2231.61  194.500  1901.64  567.365  1057.74   47.120  857.736  175.419 200.0064 181.6377 
1 1 1   13    4   13 o  546.107   58.477  671.959   70.903  683.793   75.105  574.976  215.006  588.768   32.688  503.447  112.294 85.32059 116.9550 
1 1 1   13    4   14 o  259.761   30.051  132.936   30.463  132.936   30.463   0.0000   0.0000  259.761   30.051  ?   ?       ?      ? 
1 1 1   13    4   15 o  772.795  145.873  1464.31  423.789  1464.31  423.789   0.0000   0.0000  772.795  145.873  ?   ?       ?      ? 
1 1 1   13    4   16 o  164.269   56.943   50.092   44.548   50.092   44.548   0.0000   0.0000  164.269   56.943  ?   ?       ?      ? 
1 1 1   13    4   17 o  627.787  123.000  929.707  290.556  929.707  290.556   0.0000   0.0000  627.787  123.000  ?   ?       ?      ? 
1 1 1   13    4   18 o  464.411  101.091  489.591  178.010  489.591  178.010   0.0000   0.0000  464.411  101.091  ?   ?       ?      ? 
1 1 1   13    4   19 f  647.872   40.945  837.933  103.519  837.933  103.519   0.0000   0.0000  647.872   40.945  ?   ?       ?      ? 
1 1 1   13    4   20 o  142.999   36.748   35.259   27.297   49.799   32.883   3.0320   48.955  156.855   48.655  129.143   55.084 27.71172 73.49537 
1 1 1   13    4   21 o  684.693   41.476  942.933  110.822  942.933  110.822   0.0000   0.0000  684.693   41.476  ?   ?       ?      ? 
1 1 1   13    4   22 o  608.015   28.076  733.451   66.617  733.451   66.617   0.0000   0.0000  608.015   28.076  ?   ?       ?      ? 
1 1 1   13    4   23 o  234.871   37.061  143.348   26.144  156.484   28.376   69.576   67.245  280.797   25.896  188.945   69.451 91.85127 74.12211 
1 1 1   13    4   24 o  131.534   34.744   30.740   21.862   35.930   24.458   10.115   48.757  132.558   42.085  130.510   55.295 2.047531 69.48826 
1 1 1   13    4   25 o  283.571   46.680  199.751   36.072  205.476   38.305  154.899  107.212  319.185   30.753  247.956   88.149 71.22983 93.35923 
1 1 1   13    4   26 o  257.865   34.618  135.877   34.836  135.877   34.836   0.0000   0.0000  257.865   34.618  ?   ?       ?      ? 
1 1 1   13    4   27 o  316.296   48.867  214.696   60.318  214.696   60.318   0.0000   0.0000  316.296   48.867  ?   ?       ?      ? 
1 1 1   13    4   28 o  283.925   59.869  139.694   45.664  118.688   47.713  368.635  157.515  227.756   54.425  340.094  106.654 -112.3377 119.7377 
1 1 1   13    4   29 o  516.341   30.190  545.361   60.832  545.361   60.832   0.0000   0.0000  516.341   30.190  ?   ?       ?      ? 
1 1 1   13    4   30 o  160.728   46.762   47.208   27.763   48.921   28.291   2.5968  144.383  147.555   45.023  173.901   81.973 -26.34566 93.52361 
1 1 1   13    4   31 o  146.099   47.465   22.070   29.058   21.736   29.634   30.414  148.038  114.493   45.106  177.705   83.530 -63.21207 94.93063 
1 1 1   13    4   32 o  161.941   48.711   41.990   30.640   39.192   31.530   89.449  129.861  134.587   47.808  189.296   84.885 -54.70876 97.42210 
1 1 1   13    4   33 o  345.012   57.127  357.954   47.812  356.489   49.641  376.745  177.745  413.130   30.791  276.895  110.028 136.2349 114.2549 
1 1 1   13    5    0 o  176.695   19.359   56.390   12.607   47.042   15.094   77.950   22.923  154.643   25.012  198.747   29.556 -44.10417 38.71863 
1 1 1   13    5    1 o  123.482   26.820   28.227   10.354   28.413   10.951   26.662   31.780  118.055   24.570  128.909   47.682 -10.85330 53.64018 
1 1 1   13    5    2 o  372.466   21.752  284.480   29.419  306.638   36.433  242.958   49.873  395.023   23.634  349.909   36.524 45.11435 43.50358 
1 1 1   13    5    3 f  517.378   23.528  509.992   46.499  630.362   75.860  437.546   58.851  564.219   34.453  470.536   32.050 93.68353 47.05583 
1 1 1   13    5    4 f  247.766   20.282  118.347   19.368  147.679   29.810   96.921   25.478  273.821   27.898  221.710   29.448 52.11105 40.56435 
1 1 1   13    5    5 o  607.614   26.041  731.378   61.726  754.552   88.598  709.519   86.045  616.968   36.798  598.260   36.856 18.70886 52.08126 
1 1 1   13    5    6 o  197.543   45.378   77.787   40.219   67.905   57.050   87.551   56.708  188.460   64.483  206.625   63.863 -18.16510 90.75576 
1 1 1   13    5    7 o  538.970   76.928  655.592  156.218  633.852  219.486  677.911  222.395  528.948  109.920  548.992  107.655 -20.04364 153.8568 
1 1 1   13    5    8 o  215.942   35.291   96.065   23.901   97.291   26.354   90.384   56.725  222.218   30.391  209.667   63.704 12.55058 70.58133 
1 1 1   13    5    9 o  646.487   37.841  827.399   95.468  827.399   95.468   0.0000   0.0000  646.487   37.841  ?   ?       ?      ? 
1 1 1   13    5   10 o  473.800   34.548  443.253   63.878  443.253   63.878   0.0000   0.0000  473.800   34.548  ?   ?       ?      ? 
1 1 1   13    5   11 o  617.647   60.239  903.774   88.836  941.312   95.811  673.769  237.162  690.222   35.571  545.072  115.107 145.1501 120.4774 
1 1 1   13    5   12 o  771.716   66.109  1166.91  109.868  1147.46  114.607  1387.59  386.066  761.145   38.584  782.287  126.463 -21.14258 132.2183 
1 1 1   13    5   13 o  132.279   34.655   29.080   18.514   32.200   19.696   5.3965   54.261  126.529   37.330  138.029   58.398 -11.50011 69.31004 
1 1 1   13    5   14 o  122.445   37.588   29.752   19.683   29.752   19.683   0.0000   0.0000  122.445   37.588  ?   ?       ?      ? 
1 1 1   13    5   15 f  641.219   74.056  853.209  185.311  853.209  185.311   0.0000   0.0000  641.219   74.056  ?   ?       ?      ? 
1 1 1   13    5   17 o  416.969   30.540  343.218   49.694  343.218   49.694   0.0000   0.0000  416.969   30.540  ?   ?       ?      ? 
1 1 1   13    5   18 o  589.140   35.848  688.697   82.417  688.697   82.417   0.0000   0.0000  589.140   35.848  ?   ?       ?      ? 
1 1 1   13    5   19 o  504.633   54.640  566.196   56.263  571.017   58.921  516.364  189.439  537.954   28.067  471.313  105.614 66.64075 109.2802 
1 1 1   13    5   20 o  1005.57   36.001  2014.22  141.273  2014.22  141.273   0.0000   0.0000  1005.57   36.001  ?   ?       ?      ? 
1 1 1   13    5   21 o  199.053   43.628   85.657   38.346  104.088   48.324   54.319   63.013  220.361   56.061  177.745   66.864 42.61592 87.25603 
1 1 1   13    5   22 o  173.807   40.663   60.988   32.740   77.758   45.935   43.672   46.678  190.803   57.181  156.810   57.830 33.99216 81.32611 
1 1 1   13    5   23 o  172.247   28.608   83.727   18.995  101.440   20.754  -7.6283   47.134  226.327   23.499  118.168   52.169 108.1591 57.21686 
1 1 1   13    5   24 o  349.106   49.102  324.461   39.526  337.019   41.735  215.144  123.136  411.159   26.011  287.053   94.697 124.1060 98.20480 
1 1 1   13    5   25 o  259.195   31.939  136.010   32.306  136.010   32.306   0.0000   0.0000  259.195   31.939  ?   ?       ?      ? 
1 1 1   13    5   26 o  177.828   39.574   67.835   26.755   67.835   26.755   0.0000   0.0000  177.828   39.574  ?   ?       ?      ? 
1 1 1   13    5   27 o  351.582  113.603  405.729  177.620   0.0000   0.0000  405.729  177.620  ?   ?   351.582  113.603      ?      ? 
1 1 1   13    5   28 o  267.853   54.191  189.559   52.392  194.494   56.238  157.133  144.149  299.736   48.079  235.969   97.135 63.76700 108.3829 
1 1 1   13    5   29 o  260.583   51.380  181.147   37.460  183.065   38.560  148.958  157.964  297.322   33.234  223.845   97.237 73.47691 102.7593 
1 1 1   13    5   30 f  146.307   46.666   19.582   28.531   17.267   29.335   60.075  122.695  110.177   44.384  182.438   82.103 -72.26046 93.33175 
1 1 1   13    5   31 o  192.103   54.535   73.283   40.531   64.461   42.282  173.265  142.342  164.209   55.517  219.996   93.884 -55.78688 109.0701 
1 1 1   13    5   32 o  125.166   40.963   8.5792   32.051   18.045   33.077 -136.9593  129.702  113.921   46.670  136.412   67.333 -22.49153 81.92590 
1 1 1   13    5   33 o  114.179   38.877  -7.5472   26.865  -5.2587   27.826 -38.9476  103.074   88.045   39.401  140.314   67.032 -52.26927 77.75452 
1 1 1   13    6    0 o  344.727   23.180  234.464   31.044  205.388   42.932  266.327   44.942  322.179   34.147  367.275   31.357 -45.09534 46.35976 
1 1 1   13    6    1 o  356.680   22.991  251.381   31.990  260.468   45.470  242.475   45.016  363.120   32.088  350.239   32.936 12.88138 45.98273 
1 1 1   13    6    2 o  215.794   34.168  110.624   23.889  122.256   26.666   63.344   53.761  249.200   27.421  182.389   62.593 66.81116 68.33587 
1 1 1   13    6    3 o  884.334   31.414  1548.27  107.860  1438.04  143.940  1689.43  162.885  849.174   43.436  919.494   45.394 -70.32013 62.82779 
1 1 1   13    6    4 o  299.336   23.332  176.958   27.238  168.607   38.175  185.618   38.875  292.088   33.491  306.583   32.493 -14.49475 46.66338 
1 1 1   13    6    5 o  485.394   51.584  607.796   72.030  713.472   83.698  306.033  141.436  600.441   35.720  370.348   96.787 230.0931 103.1676 
1 1 1   13    6    6 o  179.939   29.826   75.232   20.969   94.967   25.274   31.639   37.563  219.585   29.494  140.294   51.850 79.29013 59.65183 
1 1 1   13    6    7 o  706.370   57.685  843.960   91.803  803.838   95.592  1320.10  329.309  636.929   38.459  775.810  108.772 -138.8814 115.3707 
1 1 1   13    6    8 o  419.151   66.532  385.852  106.162  396.769  150.928  375.160  149.357  425.412   93.466  412.891   94.710 12.52142 133.0638 
1 1 1   13    6    9 o  667.153   59.724  840.932   92.855  819.390   97.494  1051.27  304.648  643.181   38.843  691.126  112.956 -47.94519 119.4483 
1 1 1   13    6   10 o  453.361   42.727  299.081   50.892  265.757   53.610  602.995  161.898  366.493   37.484  540.229   76.795 -173.7363 85.45437 
1 1 1   13    6   11 o  594.337   48.769  516.442   64.895  478.858   67.250  1025.04  247.388  492.366   35.000  696.308   91.043 -203.9410 97.53879 
1 1 1   13    6   12 o  243.086   38.646  131.583   28.774  138.279   31.616   99.278   69.443  264.932   30.581  221.241   70.985 43.69101 77.29171 
1 1 1   13    6   13 o  400.995   37.143  318.439   58.124  318.439   58.124   0.0000   0.0000  400.995   37.143  ?   ?       ?      ? 
1 1 1   13    6   14 o  256.943   50.580  136.824   48.911  136.824   48.911   0.0000   0.0000  256.943   50.580  ?   ?       ?      ? 
1 1 1   13    6   15 o  134.785   44.867   34.551   27.619   34.551   27.619   0.0000   0.0000  134.785   44.867  ?   ?       ?      ? 
1 1 1   13    6   16 o  201.568   54.349   84.958   43.727   84.958   43.727   0.0000   0.0000  201.568   54.349  ?   ?       ?      ? 
1 1 1   13    6   17 o  672.205   79.206  952.604  207.774  952.604  207.774   0.0000   0.0000  672.205   79.206  ?   ?       ?      ? 
1 1 1   13    6   18 o  617.607   36.665  757.901   88.368  757.901   88.368   0.0000   0.0000  617.607   36.665  ?   ?       ?      ? 
1 1 1   13    6   19 o  661.836   37.856  873.054   97.772  873.054   97.772   0.0000   0.0000  661.836   37.856  ?   ?       ?      ? 
1 1 1   13    6   20 o  501.485   61.472  611.070   64.222  623.355   67.456  492.072  209.947  560.641   30.832  442.329  119.016 118.3111 122.9448 
1 1 1   13    6   21 f  354.999   47.519  244.128   36.733  238.147   38.339  311.057  128.254  346.522   28.352  363.475   90.709 -16.95273 95.03703 
1 1 1   13    6   22 o  446.121   47.981  361.177   45.880  345.939   47.804  539.114  163.354  416.720   29.396  475.523   91.349 -58.80368 95.96243 
1 1 1   13    6   23 o  116.349   36.529  -1.8631   28.505 -23.8307   62.193   3.9785   32.072  127.147   57.717  105.550   44.790 21.59618 73.05733 
1 1 1   13    6   24 o  451.612   28.680  409.062   50.545  409.062   50.545   0.0000   0.0000  451.612   28.680  ?   ?       ?      ? 
1 1 1   13    6   25 o  494.732   27.464  491.334   53.024  491.334   53.024   0.0000   0.0000  494.732   27.464  ?   ?       ?      ? 
1 1 1   13    6   26 o  212.934   38.708  122.001   26.148  131.199   27.531   37.317   83.534  255.354   27.628  170.515   72.317 84.83897 77.41530 
1 1 1   13    6   27 o  285.597   44.907  265.013   46.368  302.721   49.964   30.952  124.482  384.648   33.286  186.546   83.418 198.1021 89.81427 
1 1 1   13    6   28 o  220.862   49.930  135.886   53.155  163.585   59.135   19.323  121.308  264.014   58.894  177.709   80.645 86.30499 99.86073 
1 1 1   13    6   29 o  304.076   48.796  312.434   44.056  330.025   45.879  104.265  157.825  401.338   29.294  206.814   93.091 194.5245 97.59119 
1 1 1   13    6   30 f  117.021   40.378 -31.6796   39.100 -20.3445   41.202 -134.3382  123.995   98.554   45.560  135.489   66.677 -36.93472 80.75564 
1 1 1   13    6   31 o  180.170   52.195   77.586   48.175   82.120   50.636   34.315  156.428  180.660   60.756  179.680   84.888 0.9802704 104.3904 
1 1 1   13    6   32 o  189.748   52.472   91.227   46.950   90.019   50.222   99.604  132.227  187.783   60.379  191.714   85.834 -3.931549 104.9438 
1 1 1   13    6   33 o  148.306   43.849   39.410   45.997   69.926   52.187 -66.8231   97.370  166.790   61.202  129.823   62.811 36.96715 87.69753 
1 1 1   13    7    0 o  461.789   50.377  399.605   56.624  511.456  171.449  385.911   59.991  481.865   94.552  441.714   34.802 40.15176 100.7540 
1 1 1   13    7    1 o  663.237   27.228  864.018   70.110  784.796   93.627  965.148  105.784  629.071   38.139  697.402   38.869 -68.33081 54.45558 
1 1 1   13    7    2 o  322.030   22.002  204.515   27.605  220.382   39.435  189.270   38.654  334.374   30.221  309.686   31.985 24.68698 44.00420 
1 1 1   13    7    3 o  462.973   51.028  513.196   61.781  545.707   67.887  356.482  149.048  525.692   33.092  400.254   96.541 125.4371 102.0553 
1 1 1   13    7    4 o  276.846   42.532  121.641   33.535  105.200   36.014  228.894   91.982  226.547   42.291  327.145   73.805 -100.5977 85.06330 
1 1 1   13    7    5 o  372.809   45.687  278.584   45.085  274.899   48.588  301.409  120.928  373.157   33.366  372.460   85.065 0.6963196 91.37483 
1 1 1   13    7    6 o   97.590   26.794   12.241   14.408   15.764   17.948   5.8568   24.161   98.693   35.940   96.487   39.749 2.205605 53.58768 
1 1 1   13    7    7 o  882.430   71.953  1407.03  133.643  1358.48  138.630  2045.74  502.815  826.702   42.971  938.159  137.341 -111.4575 143.9062 
1 1 1   13    7    8 o  256.488   74.126  138.818   78.374   0.0000   0.0000  138.818   78.374  ?   ?   256.488   74.126      ?      ? 
1 1 1   13    7    9 o  499.306  103.344  553.100  194.731   0.0000   0.0000  553.100  194.731  ?   ?   499.306  103.344      ?      ? 
1 1 1   13    7   10 o  274.995   55.489  159.450   66.392   86.103   95.519  228.004   92.346  222.997   82.629  326.992   74.084 -103.9951 110.9772 
1 1 1   13    7   11 o  184.311   45.266   62.466   40.333   45.895   57.806   78.185   56.302  170.652   64.072  197.970   63.959 -27.31813 90.53164 
1 1 1   13    7   12 o  247.842   52.341  128.150   54.548  112.513   74.521  146.198   80.062  233.473   73.382  262.211   74.654 -28.73793 104.6817 
1 1 1   13    7   13 o  753.355   81.977  1191.11  241.005  1191.11  241.005   0.0000   0.0000  753.355   81.977  ?   ?       ?      ? 
1 1 1   13    7   14 o  187.792   47.317   60.651   33.325   61.479   35.602   54.791   94.711  172.976   49.951  202.608   80.377 -29.63181 94.63354 
1 1 1   13    7   15 o  398.942   93.553  355.159  143.122  355.159  143.122   0.0000   0.0000  398.942   93.553  ?   ?       ?      ? 
1 1 1   13    7   16 o  446.304   99.774  450.595  169.408  450.595  169.408   0.0000   0.0000  446.304   99.774  ?   ?       ?      ? 
1 1 1   13    7   17 o  408.788   96.491  378.196  151.454  378.196  151.454   0.0000   0.0000  408.788   96.491  ?   ?       ?      ? 
1 1 1   13    7   18 o  373.981   96.064  319.734  140.938  319.734  140.938   0.0000   0.0000  373.981   96.064  ?   ?       ?      ? 
1 1 1   13    7   19 o  479.436  122.752  575.234  230.652   0.0000   0.0000  575.234  230.652  ?   ?   479.436  122.752      ?      ? 
1 1 1   13    7   20 o  678.961   41.152  928.072  109.035  928.072  109.035   0.0000   0.0000  678.961   41.152  ?   ?       ?      ? 
1 1 1   13    7   21 o  349.246   28.753  242.363   39.187  242.363   39.187   0.0000   0.0000  349.246   28.753  ?   ?       ?      ? 
1 1 1   13    7   22 o  536.744   30.897  576.245   64.717  576.245   64.717   0.0000   0.0000  536.744   30.897  ?   ?       ?      ? 
1 1 1   13    7   23 o  837.530   33.542  1416.62  109.628  1416.62  109.628   0.0000   0.0000  837.530   33.542  ?   ?       ?      ? 
1 1 1   13    7   24 o  276.503   43.527  210.298   33.841  224.638   36.146  108.492   96.311  334.738   27.671  218.268   82.538 116.4696 87.05321 
1 1 1   13    7   25 o  419.378   28.115  353.896   46.013  353.896   46.013   0.0000   0.0000  419.378   28.115  ?   ?       ?      ? 
1 1 1   13    7   26 o  174.758   47.262   60.164   44.447   50.520   58.050   73.827   69.098  163.906   63.544  185.610   69.979 -21.70338 94.52422 
1 1 1   13    7   27 o  394.041   58.347  451.188   62.670  470.390   67.424  329.263  169.898  476.920   36.227  311.162  110.929 165.7586 116.6945 
1 1 1   13    7   28 o  212.706   43.079  112.334   27.975  115.775   29.040   67.987  104.258  237.560   31.326  187.853   80.262 49.70671 86.15869 
1 1 1   13    7   29 o  114.563   38.409 -47.6590   40.113 -67.2044   47.534   0.6923   74.764   88.648   43.121  140.477   63.573 -51.82922 76.81775 
1 1 1   13    7   30 o  142.002   62.800   17.304   68.592   0.0000   0.0000   17.304   68.592  ?   ?   142.002   62.800      ?      ? 
1 1 1   13    7   31 o  175.031   75.531   67.334   94.054   0.0000   0.0000   67.334   94.054  ?   ?   175.031   75.531      ?      ? 
1 1 1   13    7   32 o  143.440   42.672   37.300   30.102   41.727   31.337 -15.5634  108.293  137.046   47.745  149.833   70.739 -12.78688 85.34434 
1 1 1   13    7   33 o  169.533   50.006   32.231   33.747   16.778   35.397  186.510  111.843  113.871   47.611  225.195   87.952 -111.3239 100.0120 
1 1 1   13    8    0 o  445.728   49.163  361.239   54.781  489.290  163.276  344.996   58.152  473.780   91.624  417.675   35.677 56.10522 98.32550 
1 1 1   13    8    1 o  162.442   31.358   58.961   20.128   69.238   23.422   29.944   39.356  184.463   33.783  140.420   52.839 44.04286 62.71568 
1 1 1   13    8    2 o  511.248   55.478  581.760   70.234  594.003   75.614  504.803  189.577  548.163   35.348  474.333  105.175 73.82980 110.9559 
1 1 1   13    8    3 o  748.825   62.837  1018.71  105.504  983.889  110.105  1409.44  368.805  704.252   40.063  793.399  119.117 -89.14642 125.6738 
1 1 1   13    8    4 o  311.767   42.660  188.621   37.619  183.232   40.858  218.624   96.411  304.605   34.372  318.929   78.090 -14.32385 85.32008 
1 1 1   13    8    5 o  808.456   65.237  1127.62  113.758  1080.14  118.067  1742.71  424.942  737.763   41.009  879.149  123.861 -141.3860 130.4736 
1 1 1   13    8    6 o  283.129   43.335  155.415   36.507  150.563   39.867  180.614   90.854  275.893   37.029  290.366   78.362 -14.47293 86.67077 
1 1 1   13    8    7 o  532.764   49.545  494.598   66.560  470.237   70.278  706.707  207.373  487.607   36.933  577.921   91.950 -90.31439 99.09016 
1 1 1   13    8    8 o  433.197   37.336  371.266   63.117  371.266   63.117   0.0000   0.0000  433.197   37.336  ?   ?       ?      ? 
1 1 1   13    8    9 o  1028.16   79.164  1774.36  153.669  1702.16  157.855  3081.98  671.758  925.097   43.726  1131.22  152.171 -206.1271 158.3287 
1 1 1   13    8   10 o  490.432   61.177  517.278  107.531  527.829  132.729  497.128  183.429  508.452   66.894  472.413  102.448 36.03952 122.3536 
1 1 1   13    8   11 o  1176.82  132.473  3669.69  547.089  3644.34  670.879  3720.02  945.237  1244.77  138.109  1108.87  226.103 135.9015 264.9465 
1 1 1   13    8   12 o  910.719   98.110  1975.05  315.330  1992.80  387.526  1940.26  542.470  954.258  104.065  867.180  166.352 87.07782 196.2200 
1 1 1   13    8   13 o  540.508   65.533  598.644  138.228  598.644  138.228   0.0000   0.0000  540.508   65.533  ?   ?       ?      ? 
1 1 1   13    8   14 o  459.236   65.850  499.907  106.332  562.099  128.342  363.768  189.886  524.363   62.720  394.109  115.808 130.2543 131.7010 
1 1 1   13    8   15 o  736.727   85.058  1155.16  244.543  1155.16  244.543   0.0000   0.0000  736.727   85.058  ?   ?       ?      ? 
1 1 1   13    8   16 o  197.416   56.722   81.236   46.013   81.236   46.013   0.0000   0.0000  197.416   56.722  ?   ?       ?      ? 
1 1 1   13    8   17 o  606.387   75.079  773.798  177.664  773.798  177.664   0.0000   0.0000  606.387   75.079  ?   ?       ?      ? 
1 1 1   13    8   18 o  527.885   64.597  575.753  113.470  529.809  130.376  719.249  230.410  504.354   66.242  551.417  110.919 -47.06259 129.1931 
1 1 1   13    8   19 o  165.274   50.478   11.954   29.052   8.5525   29.884   70.513  123.995  107.535   44.242  223.014   90.745 -115.4791 100.9551 
1 1 1   13    8   20 o  197.610   54.471   64.267   54.145   64.713   61.832   62.803  112.128  184.560   66.785  210.660   86.070 -26.10063 108.9418 
1 1 1   13    8   21 o  227.297   42.978  133.165   29.414  142.043   30.589   24.171  107.177  267.017   29.356  187.577   80.787 79.43922 85.95507 
1 1 1   13    8   22 o  566.050   31.311  642.870   69.164  642.870   69.164   0.0000   0.0000  566.050   31.311  ?   ?       ?      ? 
1 1 1   13    8   23 o  576.048   30.371  667.579   68.272  667.579   68.272   0.0000   0.0000  576.048   30.371  ?   ?       ?      ? 
1 1 1   13    8   24 o  146.601   36.587   35.935   16.122   35.329   16.678   44.572   62.953  129.486   32.930  163.715   65.346 -34.22951 73.17443 
1 1 1   13    8   25 o  551.209   30.381  615.065   65.350  615.065   65.350   0.0000   0.0000  551.209   30.381  ?   ?       ?      ? 
1 1 1   13    8   26 o  359.619   52.563  359.078   43.594  369.749   45.818  257.123  141.627  428.411   27.406  290.827  101.491 137.5841 105.1261 
1 1 1   13    8   27 o  183.450   38.362   84.189   25.551   91.534   26.751   7.7554   86.296  211.298   32.442  155.603   69.527 55.69472 76.72395 
1 1 1   13    8   28 o  207.385   60.968  105.642   78.513  156.100  131.176   77.475   98.007  226.667   92.908  188.103   78.973 38.56461 121.9369 
1 1 1   13    8   29 o  196.275   81.303  103.331  101.854   0.0000   0.0000  103.331  101.854  ?   ?   196.275   81.303      ?      ? 
1 1 1   13    8   30 o  185.904   39.610   90.259   26.921   96.008   28.053   23.341   95.705  213.648   33.648  158.160   71.719 55.48779 79.21978 
1 1 1   13    8   31 f  158.066   41.946   55.828   27.802   59.161   29.083   20.488   94.694  160.230   44.778  155.903   70.943 4.327789 83.89265 
1 1 1   13    8   32 o  189.285   48.949   79.101   32.083   75.248   33.288  129.440  120.327  178.688   47.079  199.882   85.835 -21.19473 97.89835 
1 1 1   13    9    0 o  512.250   36.281  518.821   72.526  518.821   72.526   0.0000   0.0000  512.250   36.281  ?   ?       ?      ? 
1 1 1   13    9    1 o  359.852   46.036  284.352   45.871  292.526   50.231  243.308  112.563  385.027   33.431  334.676   85.788 50.35074 92.07146 
1 1 1   13    9    2 o  331.941   45.142  177.814   42.075  157.322   45.142  313.454  116.140  281.564   41.083  382.317   80.394 -100.7530 90.28316 
1 1 1   13    9    3 o  434.141   34.590  372.178   58.603  372.178   58.603   0.0000   0.0000  434.141   34.590  ?   ?       ?      ? 
1 1 1   13    9    4 o  578.013   50.111  656.040   76.243  645.958   81.665  724.497  212.791  571.560   36.614  584.466   93.296 -12.90601 100.2230 
1 1 1   13    9    5 o  625.918   52.318  784.452   86.216  776.729   92.494  835.620  238.080  626.471   37.834  625.365   97.557 1.106018 104.6360 
1 1 1   13    9    6 o  210.948   33.855   95.632   25.678  103.705   30.411   75.586   47.924  229.221   33.998  192.676   58.556 36.54489 67.70989 
1 1 1   13    9    7 o  986.398   75.671  1952.52  177.564  1909.42  187.376  2332.08  556.027  977.429   49.124  995.368  143.146 -17.93842 151.3410 
1 1 1   13    9    8 o  152.267   38.108   39.471   29.009   55.919   40.892   22.806   41.159  168.700   54.508  135.834   53.271 32.86583 76.21615 
1 1 1   13    9    9 o  860.410  106.307  1768.32  346.113  1470.21  461.147  2152.88  523.766  764.713  159.683  956.107  140.378 -191.3939 212.6137 
1 1 1   13    9   10 o  277.285   50.927  159.728   53.696  148.529   66.504  180.701   91.010  264.854   64.861  289.717   78.531 -24.86313 101.8535 
1 1 1   13    9   11 o  451.627   60.697  462.502   98.289  521.913  122.988  357.488  163.513  506.219   62.258  397.036  104.215 109.1821 121.3949 
1 1 1   13    9   12 o  905.986   98.892  1785.10  349.636  1785.10  349.636   0.0000   0.0000  905.986   98.892  ?   ?       ?      ? 
1 1 1   13    9   13 f  700.151   62.128  902.361  151.043  750.939  172.565  1398.38  312.325  600.947   73.584  799.354  100.123 -198.4072 124.2550 
1 1 1   13    9   14 o  436.364   60.370  384.579   85.955  360.650   97.530  467.827  181.911  420.731   59.402  451.996  105.118 -31.26477 120.7408 
1 1 1   13    9   15 o  354.944   54.241  255.195   75.131  255.195   75.131   0.0000   0.0000  354.944   54.241  ?   ?       ?      ? 
1 1 1   13    9   16 o  165.090   53.389   54.126   39.224   54.126   39.224   0.0000   0.0000  165.090   53.389  ?   ?       ?      ? 
1 1 1   13    9   17 o  587.792   68.491  721.516  157.103  721.516  157.103   0.0000   0.0000  587.792   68.491  ?   ?       ?      ? 
1 1 1   13    9   18 o  456.540   72.166  378.958  115.090  242.677  131.561  823.261  237.548  322.881   96.773  590.198  107.082 -267.3172 144.3313 
1 1 1   13    9   19 o  218.685   59.916   76.420   50.073   74.594   52.634   93.832  162.509  189.884   61.877  247.487  102.621 -57.60312 119.8328 
1 1 1   13    9   20 o  233.208   58.583   97.251   50.982   87.596   54.914  157.520  137.194  201.775   62.924  264.642   98.835 -62.86600 117.1659 
1 1 1   13    9   21 o  392.605   74.079  388.344  123.968  213.695  163.458  624.818  190.201  288.603  107.862  496.606  101.570 -208.0032 148.1581 
1 1 1   13    9   22 o  240.467   47.607  125.352   28.305  125.899   29.146  116.294  118.659  250.501   29.815  230.434   90.425 20.06627 95.21339 
1 1 1   13    9   23 o  221.100   43.581  112.411   27.505  114.952   28.645   82.380   98.473  238.666   30.755  203.534   81.557 35.13170 87.16285 
1 1 1   13    9   24 o  155.248   37.703   51.967   20.198   56.342   20.746 -27.6796   88.515  163.603   33.618  146.892   67.497 16.71042 75.40581 
1 1 1   13    9   25 o  273.624   93.349  210.201  119.555   0.0000   0.0000  210.201  119.555  ?   ?   273.624   93.349      ?      ? 
1 1 1   13    9   26 o  ?   ?  -134.8657   22.556   0.0000   0.0000 -134.8657   22.556  ?   ?   ?   ?       ?      ? 
1 1 1   13    9   27 o  297.580   48.072  216.983   68.721  416.870   99.913   37.521   94.671  423.943   60.393  171.217   74.810 252.7256 96.14473 
1 1 1   13    9   28 o  171.705   37.063   72.577   22.355   77.529   23.200   8.2415   83.622  193.892   30.661  149.519   67.488 44.37314 74.12657 
1 1 1   13    9   29 o  104.899   33.073   9.7520   16.662   12.576   17.203 -33.1171   67.026   89.793   34.653  120.005   56.343 -30.21191 66.14670 
1 1 1   13    9   30 o  136.723   40.429   29.686   22.350   30.545   23.053   16.229   91.239  120.192   40.991  153.253   69.698 -33.06092 80.85860 
1 1 1   13    9   31 o  307.648   44.492  368.222   48.368  401.707   50.602   13.831  164.618  440.113   29.462  175.183   83.964 264.9303 88.98312 
1 1 1   13    9   32 o  218.079   40.102  162.446   37.849  180.201   38.849 -169.1912  167.897  290.858   34.226  145.301   72.535 145.5573 80.20445 
1 1 1   13   10    0 o  433.236   51.099  374.835   56.995  368.834   61.133  414.718  157.609  431.947   36.267  434.525   95.547 -2.577484 102.1987 
1 1 1   13   10    1 o  231.244   37.068  122.565   29.570  136.722   33.901   77.531   60.464  263.281   32.996  199.207   66.389 64.07376 74.13631 
1 1 1   13   10    2 o  281.102   34.278  155.990   37.602  155.990   37.602   0.0000   0.0000  281.102   34.278  ?   ?       ?      ? 
1 1 1   13   10    3 o  391.861   32.907  302.863   50.321  302.863   50.321   0.0000   0.0000  391.861   32.907  ?   ?       ?      ? 
1 1 1   13   10    4 o  428.209   50.997  364.432   57.853  357.302   62.341  408.677  155.296  424.916   37.596  431.502   94.813 -6.585632 101.9949 
1 1 1   13   10    5 o  611.064   60.116  804.437   91.308  810.428   98.142  765.857  249.054  639.485   39.327  582.642  113.618 56.84302 120.2319 
1 1 1   13   10    6 o  255.755   43.366  118.628   36.883  102.701   41.545  177.888   80.135  222.519   49.155  288.992   71.459 -66.47351 86.73254 
1 1 1   13   10    7 o  666.338   85.277  1002.89  216.443  885.708  296.313  1136.94  316.917  615.984  127.470  716.691  113.313 -100.7069 170.5533 
1 1 1   13   10    8 o  136.470   34.162   32.726   22.571   33.279   29.648   31.963   34.810  134.914   46.472  138.027   50.085 -3.112930 68.32360 
1 1 1   13   10    9 o  780.948   77.720  1298.17  221.103  1207.72  265.574  1502.48  399.136  753.325   90.338  808.571  126.494 -55.24554 155.4406 
1 1 1   13   10   10 o  423.042   64.117  383.662  106.245  238.841  143.271  560.607  158.366  327.991  101.532  518.094   78.329 -190.1025 128.2343 
1 1 1   13   10   11 o  180.809   44.460   59.552   37.426   53.319   47.181   70.130   61.462  169.136   58.604  192.482   66.876 -23.34570 88.92014 
1 1 1   13   10   12 o  485.802   72.402  526.526  132.578  450.503  177.513  622.426  199.372  444.547  104.149  527.057  100.604 -82.50909 144.8035 
1 1 1   13   10   13 o  195.442   51.511   63.793   46.009   65.035   51.760   59.116  100.431  182.747   61.427  208.136   82.706 -25.38866 103.0217 
1 1 1   13   10   14 o  416.226   77.175  424.212  136.702  572.946  180.385  223.548  209.522  507.478   94.565  324.974  121.988 182.5046 154.3492 
1 1 1   13   10   15 o  354.586   88.317  281.079  121.748  281.079  121.748   0.0000   0.0000  354.586   88.317  ?   ?       ?      ? 
1 1 1   13   10   16 o  333.095   86.085  248.805  112.709  248.805  112.709   0.0000   0.0000  333.095   86.085  ?   ?       ?      ? 
1 1 1   13   10   17 o  484.742  107.011  559.292  197.014  559.292  197.014   0.0000   0.0000  484.742  107.011  ?   ?       ?      ? 
1 1 1   13   10   18 o  336.265   75.751  281.689  109.161  300.063  128.126  233.038  208.492  358.050   91.390  314.479  120.833 43.57147 151.5010 
1 1 1   13   10   20 o  315.959  112.240  267.374  173.789   0.0000   0.0000  267.374  173.789  ?   ?   315.959  112.240      ?      ? 
1 1 1   13   10   21 o  308.505  109.610  265.957  165.748   0.0000   0.0000  265.957  165.748  ?   ?   308.505  109.610      ?      ? 
1 1 1   13   10   22 o  216.340   58.217   96.126   75.634  162.563   96.916  -7.3671  120.961  254.905   84.009  177.774   80.619 77.13081 116.4341 
1 1 1   13   10   23 o  364.051   76.529  397.326  124.434  554.217  180.924  256.497  171.412  439.637  106.566  288.465  109.865 151.1716 153.0572 
1 1 1   13   10   24 f  361.017   55.481  295.490   43.579  290.212   45.340  359.517  157.908  378.428   30.702  343.606  106.629 34.82245 110.9611 
1 1 1   13   10   25 o  174.415   39.769   69.140   21.838   73.303   22.289 -30.6694  109.143  190.111   30.044  158.719   73.646 31.39253 79.53881 
1 1 1   13   10   26 o  168.526   40.899   54.018   19.556   54.011   20.057   54.171   88.026  159.489   33.301  177.564   74.711 -18.07483 81.79706 
1 1 1   13   10   27 o  199.386   80.531  100.443   96.844   0.0000   0.0000  100.443   96.844  ?   ?   199.386   80.531      ?      ? 
1 1 1   13   10   28 f  131.394   35.151   35.501   18.660   40.199   19.155 -51.9582   82.648  135.596   35.706  127.192   60.559 8.403709 70.30128 
1 1 1   13   10   29 o  102.481   32.235   11.141   16.000   15.825   16.331 -100.9259   79.884   93.386   34.241  111.576   54.624 -18.19025 64.46926 
1 1 1   13   10   30 f  150.067   38.013   51.393   22.060   55.598   22.749 -14.8669   90.312  158.364   37.407  141.770   66.186 16.59451 76.02533 
1 1 1   13   10   31 o  185.107   39.647   96.049   28.134  103.739   28.842 -54.6801  127.699  221.535   33.362  148.679   71.933 72.85632 79.29306 
1 1 1   13   11    0 o  234.740   71.071  114.538   70.697   0.0000   0.0000  114.538   70.697  ?   ?   234.740   71.071      ?      ? 
1 1 1   13   11    1 o  711.681   90.727  1163.14  246.650  1090.34  342.991  1241.11  354.948  680.799  133.873  742.562  122.490 -61.76245 181.4546 
1 1 1   13   11    2 o  404.827   47.038  344.622   53.278  347.353   58.481  331.295  129.208  419.181   35.751  390.474   87.019 28.70709 94.07643 
1 1 1   13   11    3 o  536.316   38.413  569.805   80.396  569.805   80.396   0.0000   0.0000  536.316   38.413  ?   ?       ?      ? 
1 1 1   13   11    4 o  267.518   41.597  156.477   38.032  166.738   43.926  125.752   76.012  290.047   38.808  244.989   73.588 45.05809 83.19357 
1 1 1   13   11    5 o  293.855   79.863  186.000   93.977  186.000   93.977   0.0000   0.0000  293.855   79.863  ?   ?       ?      ? 
1 1 1   13   11    6 o   34.572   15.938  -3.9803   4.9920  -3.9803   4.9920   0.0000   0.0000   34.572   15.938  ?   ?       ?      ? 
1 1 1   13   11    7 o  602.760  117.785  835.373  267.121  835.373  267.121   0.0000   0.0000  602.760  117.785  ?   ?       ?      ? 
1 1 1   13   11    8 o  356.933   67.503  268.849   90.580  268.849   90.580   0.0000   0.0000  356.933   67.503  ?   ?       ?      ? 
1 1 1   13   11    9 o  735.519   85.715  1146.51  246.026  1146.51  246.026   0.0000   0.0000  735.519   85.715  ?   ?       ?      ? 
1 1 1   13   11   10 o  441.722   64.889  400.022  111.854  400.022  111.854   0.0000   0.0000  441.722   64.889  ?   ?       ?      ? 
1 1 1   13   11   11 o  672.336   80.166  952.064  210.334  952.064  210.334   0.0000   0.0000  672.336   80.166  ?   ?       ?      ? 
1 1 1   13   11   12 o  257.895   54.123  140.928   53.739  143.634   61.864  132.611  108.473  260.172   61.841  255.617   88.842 4.555664 108.2464 
1 1 1   13   11   13 o  186.769   51.285   39.752   33.861   34.765   35.475   90.836  113.542  141.250   50.653  232.287   89.189 -91.03717 102.5694 
1 1 1   13   11   14 o  362.376   66.454  251.381   71.036  233.475   76.243  369.220  195.587  332.969   60.922  391.783  118.123 -58.81451 132.9074 
1 1 1   13   11   15 o  385.574   60.662  306.051   91.276  306.051   91.276   0.0000   0.0000  385.574   60.662  ?   ?       ?      ? 
1 1 1   13   11   16 o  161.605   56.348   49.201   43.652   49.201   43.652   0.0000   0.0000  161.605   56.348  ?   ?       ?      ? 
1 1 1   13   11   17 o  208.544   75.765   84.414   79.693   84.414   79.693   0.0000   0.0000  208.544   75.765  ?   ?       ?      ? 
1 1 1   13   11   18 o  283.668   68.984  134.234   60.901  117.613   63.900  298.944  201.155  231.001   66.981  336.334  120.617 -105.3333 137.9675 
1 1 1   13   11   19 o  331.982   70.547  246.996   79.911  230.260   86.911  338.506  203.232  318.305   71.691  345.659  121.523 -27.35400 141.0938 
1 1 1   13   11   20 o  221.770   64.654   88.824   86.321   94.948  103.051   74.422  158.040  216.737   84.486  226.804   97.890 -10.06729 129.3071 
1 1 1   13   11   21 o  219.451   56.568  114.052   68.202  153.404   75.989 -48.9771  154.667  253.672   72.895  185.229   86.522 68.44336 113.1360 
1 1 1   13   11   22 o  284.784   65.877  230.905   88.495  266.848  107.016  153.172  157.380  323.231   84.053  246.337  101.460 76.89320 131.7533 
1 1 1   13   11   23 o  139.846   45.011 -23.0105   55.253   21.349   63.620 -159.1657  111.460  148.689   63.089  131.003   64.216 17.68658 90.02215 
1 1 1   13   11   24 o  216.271   30.562   94.898   25.793   94.898   25.793   0.0000   0.0000  216.271   30.562  ?   ?       ?      ? 
1 1 1   13   11   25 o  219.358   48.158  106.532   26.534  107.278   27.010   85.924  142.028  229.660   30.137  209.056   91.479 20.60419 96.31538 
1 1 1   13   11   26 o  172.279   39.691   70.571   22.767   75.508   23.160 -71.2695  124.134  191.879   30.930  152.679   73.108 39.20013 79.38139 
1 1 1   13   11   27 o  122.935   37.487   20.890   16.385   22.720   16.631 -39.7885   95.753  105.320   34.804  140.551   66.406 -35.23061 74.97406 
1 1 1   13   11   28 o  254.803   40.045  230.495   35.352  251.779   36.815 -21.4182  126.654  350.757   26.896  158.849   75.439 191.9081 80.09004 
1 1 1   13   11   29 o  247.636   41.844  206.570   36.528  223.575   38.087   11.611  128.963  328.549   29.706  166.724   78.238 161.8252 83.68818 
1 1 1   13   11   30 o  242.668   44.750  178.022   33.439  184.352   34.603   88.667  130.019  297.948   29.761  187.387   84.406 110.5607 89.49940 
1 1 1   13   11   31 o  135.065   39.875   32.571   20.357   35.082   20.657 -52.0203  119.903  125.675   38.495  144.456   69.844 -18.78069 79.75009 
1 1 1   13   12    0 o  281.201   44.658  167.395   44.280  172.587   51.903  153.513   84.874  294.157   45.215  268.246   77.026 25.91083 89.31638 
1 1 1   13   12    1 o  309.907   42.986  210.217   42.899  220.890   49.084  175.687   88.283  333.891   37.671  285.923   77.280 47.96802 85.97287 
1 1 1   13   12    2 o  540.307   76.706  657.125  156.048  720.692  225.722  598.932  215.971  567.647  105.790  512.967  111.103 54.67993 153.4122 
1 1 1   13   12    3 o  143.744   53.041   33.514   39.277   33.514   39.277   0.0000   0.0000  143.744   53.041  ?   ?       ?      ? 
1 1 1   13   12    4 o  430.766   68.075  412.151  111.570  398.469  157.062  426.088  158.516  422.927   97.201  438.605   95.333 -15.67770 136.1490 
1 1 1   13   12    5 o  376.881   63.024  311.928   91.455  274.008  127.048  352.709  131.754  351.841   91.626  401.922   86.560 -50.08102 126.0473 
1 1 1   13   12    6 o   93.898   26.921   6.1728   15.453   0.0090   20.752   13.845   23.153   84.166   35.881  103.629   40.143 -19.46295 53.84167 
1 1 1   13   12    7 o  259.700   64.159  143.158   64.642  143.158   64.642   0.0000   0.0000  259.700   64.159  ?   ?       ?      ? 
1 1 1   13   12    8 o  1146.45  137.554  3606.15  548.774  3457.77  662.426  3930.74  979.794  1193.69  142.205  1099.21  235.503 94.47644 275.1071 
1 1 1   13   12    9 o  944.818  105.104  1978.59  387.525  1978.59  387.525   0.0000   0.0000  944.818  105.104  ?   ?       ?      ? 
1 1 1   13   12   10 o  781.032   90.445  1312.62  275.667  1312.62  275.667   0.0000   0.0000  781.032   90.445  ?   ?       ?      ? 
1 1 1   13   12   11 o  603.785   73.910  761.391  174.148  761.391  174.148   0.0000   0.0000  603.785   73.910  ?   ?       ?      ? 
1 1 1   13   12   12 o  672.115   78.760  1033.61  185.691  1034.05  225.511  1032.68  327.249  696.583   82.959  647.647  133.904 48.93518 157.5200 
1 1 1   13   12   13 o  424.193   63.669  378.288   89.624  360.559  102.052  438.074  187.398  418.443   62.496  429.944  110.948 -11.50128 127.3386 
1 1 1   13   12   14 o  437.725   70.067  410.607   94.616  395.508  104.049  482.737  227.417  437.954   60.880  437.495  126.219 0.4595642 140.1341 
1 1 1   13   12   15 o  461.362   62.128  442.594  111.856  442.594  111.856   0.0000   0.0000  461.362   62.128  ?   ?       ?      ? 
1 1 1   13   12   16 o  531.075   66.326  597.082  137.459  597.082  137.459   0.0000   0.0000  531.075   66.326  ?   ?       ?      ? 
1 1 1   13   12   17 o  226.893   67.302  113.245   63.878  113.245   63.878   0.0000   0.0000  226.893   67.302  ?   ?       ?      ? 
1 1 1   13   12   18 o  267.894   73.836  156.319   98.476  152.395  110.654  171.259  215.927  256.080   89.690  279.708  117.316 -23.62769 147.6727 
1 1 1   13   12   19 o  264.506   73.466  136.488   93.744  100.230  105.434  273.332  204.829  220.625   85.608  308.387  119.417 -87.76253 146.9324 
1 1 1   13   12   20 o  199.593   60.642   14.979   42.787   2.0161   44.130  218.154  174.714  119.387   51.627  279.799  109.747 -160.4117 121.2840 
1 1 1   13   12   21 o  178.982   54.181   46.594   56.555   62.821   60.216 -74.7870  164.695  175.992   65.528  181.972   86.305 -5.980331 108.3630 
1 1 1   13   12   22 o  197.308   58.562   67.809   66.438   67.073   74.595   70.630  146.115  183.669   71.802  210.947   92.534 -27.27823 117.1240 
1 1 1   13   12   23 o  241.832   64.785  154.285   80.930  157.412   95.422  146.271  152.755  245.645   83.399  238.019   99.160 7.626572 129.5694 
1 1 1   13   12   24 o  161.597   70.265   24.185   82.645   24.185   82.645   0.0000   0.0000  161.597   70.265  ?   ?       ?      ? 
1 1 1   13   12   25 o  350.240   55.043  115.747   27.011  103.860   27.286  696.998  190.801  225.224   31.045  475.256  105.618 -250.0322 110.0864 
1 1 1   13   12   26 o  173.054   44.362   60.261   21.327   61.257   21.603   21.997  133.870  168.953   33.943  177.155   81.975 -8.201675 88.72482 
1 1 1   13   12   27 o  183.102   38.905   91.834   26.414   99.587   27.058 -65.4688  121.871  218.784   31.691  147.421   71.064 71.36302 77.81043 
1 1 1   13   12   28 o  233.445   53.986  172.981   60.763  193.628   68.865  100.403  129.114  273.237   65.447  193.653   85.876 79.58414 107.9718 
1 1 1   13   12   29 o  167.498   34.858   79.765   25.049   91.396   25.697 -142.0264  112.215  209.176   31.480  125.819   62.203 83.35712 69.71539 
1 1 1   13   12   30 o  179.631   38.264   71.934   26.001   71.934   26.001   0.0000   0.0000  179.631   38.264  ?   ?       ?      ? 
1 1 1   13   13    0 o  329.575   49.421  228.774   57.925  230.309   69.131  225.158  106.125  338.209   52.379  320.941   83.821 17.26736 98.84103 
1 1 1   13   13    1 o  635.898   64.695  917.322  112.711  943.058  124.368  799.010  266.653  686.652   46.413  585.144  120.780 101.5083 129.3905 
1 1 1   13   13    2 o  404.133   93.620  362.960  144.751   0.0000   0.0000  362.960  144.751  ?   ?   404.133   93.620      ?      ? 
1 1 1   13   13    4 o  669.000   90.697  1059.29  227.990  971.218  315.270  1155.84  330.092  636.391  131.305  701.609  125.151 -65.21808 181.3942 
1 1 1   13   13    5 o  156.368   40.001   41.533   31.646   52.318   44.715   30.710   44.795  166.552   57.088  146.184   56.046 20.36778 80.00149 
1 1 1   13   13    6 o  112.506   31.555   11.190   20.478   2.0819   26.216   25.444   32.797   96.227   40.645  128.784   48.279 -32.55672 63.11038 
1 1 1   13   13    7 o  339.537   53.722  259.040   71.246  326.869   93.847  166.762  109.460  400.425   60.057  278.649   89.091 121.7757 107.4435 
1 1 1   13   13    8 o  236.874   50.627  116.295   49.597  109.603   62.696  127.486   81.079  227.996   66.416  245.751   76.430 -17.75548 101.2548 
1 1 1   13   13    9 o  189.278   46.722   62.319   40.149   50.282   48.498   88.535   71.571  166.802   59.288  211.753   72.227 -44.95113 93.44397 
1 1 1   13   13   10 o  521.834   62.188  552.333  115.301  486.701  137.250  709.736  212.550  482.706   72.861  560.962  100.800 -78.25607 124.3763 
1 1 1   13   13   11 o  383.989   63.239  303.677   94.763  303.677   94.763   0.0000   0.0000  383.989   63.239  ?   ?       ?      ? 
1 1 1   13   13   12 o  128.215   40.900   6.4288   21.146   8.0981   21.710 -24.4552   93.381   94.390   38.127  162.040   72.370 -67.65079 81.79929 
1 1 1   13   13   13 o  441.682   66.587  405.985   94.024  379.697  105.169  510.667  209.868  427.756   63.003  455.608  117.329 -27.85229 133.1742 
1 1 1   13   13   14 f  702.886   86.472  1188.72  201.587  1152.25  234.913  1290.59  392.630  725.322   82.993  680.450  151.728 44.87177 172.9431 
1 1 1   13   13   15 o  242.583   63.652  128.565   61.012  128.565   61.012   0.0000   0.0000  242.583   63.652  ?   ?       ?      ? 
1 1 1   13   13   16 o  364.591   65.376  290.671   89.598  290.671   89.598   0.0000   0.0000  364.591   65.376  ?   ?       ?      ? 
1 1 1   13   13   17 o  233.586   67.184  122.555   64.522  122.555   64.522   0.0000   0.0000  233.586   67.184  ?   ?       ?      ? 
1 1 1   13   13   18 o  267.554   74.062  170.446  102.118  170.932  115.184  168.661  220.743  263.465   91.551  271.643  116.444 -8.177460 148.1239 
1 1 1   13   13   19 o  317.900   81.688  250.330  118.253  169.571  137.029  485.937  234.051  257.906   98.229  377.893  130.549 -119.9865 163.3765 
1 1 1   13   13   20 o  308.040   72.356  274.280   95.943  279.279  106.072  251.790  224.980  333.511   82.060  282.569  119.196 50.94241 144.7120 
1 1 1   13   13   21 o  232.169   61.930  140.054   78.332  169.527   85.720  -9.1614  192.875  259.294   78.204  205.044   96.048 54.25041 123.8594 
1 1 1   13   13   22 o  195.092   59.294   62.108   70.015   65.272   77.665   48.379  161.782  182.942   72.719  207.241   93.676 -24.29903 118.5888 
1 1 1   13   13   23 o  224.820   68.850  100.232  113.922  205.530  168.534   11.641  154.587  257.576  105.412  192.065   88.598 65.51158 137.7006 
1 1 1   13   13   24 o  204.999   66.639   55.356  122.184   98.391  177.626   16.704  168.337  216.316   97.933  193.681   90.401 22.63560 133.2785 
1 1 1   13   13   25 o  174.520   57.977  -9.5666  102.836 -98.1164  166.121   45.450  130.941  164.859   80.287  184.181   83.661 -19.32222 115.9531 
1 1 1   13   13   26 o  172.128   53.299   52.627   59.327   50.968   66.398   59.195  132.115  160.253   65.941  184.003   83.755 -23.75026 106.5978 
1 1 1   13   13   27 o  281.783   32.256  166.010   35.469  166.010   35.469   0.0000   0.0000  281.783   32.256  ?   ?       ?      ? 
1 1 1   13   13   28 o  365.161   33.943  281.253   48.369  281.253   48.369   0.0000   0.0000  365.161   33.943  ?   ?       ?      ? 
1 1 1   13   13   29 o  240.508   34.005  122.516   31.916  122.516   31.916   0.0000   0.0000  240.508   34.005  ?   ?       ?      ? 
1 1 1   13   13   30 o  193.035   43.914   90.471   26.004   90.946   26.588   80.031  124.697  207.085   32.901  178.985   81.432 28.10081 87.82735 
1 1 1   13   14    0 o  663.975   67.205  954.237  122.799  951.014  134.552  970.303  300.434  687.572   50.147  640.378  124.706 47.19476 134.4108 
1 1 1   13   14    1 o  321.510   58.664  225.495   75.171  173.550  104.401  281.416  108.324  283.004   86.517  360.016   79.250 -77.01175 117.3273 
1 1 1   13   14    2 o  129.422   34.332   20.941   23.805   42.628   37.345   6.0977   30.896  151.444   52.157  107.400   44.657 44.04371 68.66314 
1 1 1   13   14    3 o  346.551   88.586  266.396  120.260  266.396  120.260   0.0000   0.0000  346.551   88.586  ?   ?       ?      ? 
1 1 1   13   14    4 o  378.130   63.663  316.691   93.102  262.787  128.749  375.773  134.791  342.519   93.639  413.740   86.277 -71.22079 127.3269 
1 1 1   13   14    5 f  351.521   88.952  274.685  122.124   0.0000   0.0000  274.685  122.124  ?   ?   351.521   88.952      ?      ? 
1 1 1   13   14    6 o  1000.46  156.083  3150.77  591.273  3676.70  893.210  2740.56  788.853  1081.25  219.192  919.678  222.268 161.5690 312.1671 
1 1 1   13   14    7 o  438.177   78.038  452.851  133.245  413.521  202.155  483.062  177.179  415.679  118.724  460.675  101.312 -44.99670 156.0757 
1 1 1   13   14    8 o  281.111   83.154  172.669   97.614   0.0000   0.0000  172.669   97.614  ?   ?   281.111   83.154      ?      ? 
1 1 1   13   14    9 o  718.528  145.980  1324.18  395.364   0.0000   0.0000  1324.18  395.364  ?   ?   718.528  145.980      ?      ? 
1 1 1   13   14   10 o  209.567   57.746   68.534   67.182   71.357  105.259   66.595   87.269  216.066   85.045  203.068   78.139 12.99701 115.4915 
1 1 1   13   14   11 o  336.302   96.357  261.243  132.950  261.243  132.950   0.0000   0.0000  336.302   96.357  ?   ?       ?      ? 
1 1 1   13   14   13 o  249.274   66.431   55.463   62.995   24.223   67.141  285.261  182.099  160.310   66.175  338.238  115.208 -177.9281 132.8613 
1 1 1   13   14   14 o  256.355   72.303   71.508   67.128   50.430   70.261  292.124  227.310  178.767   69.741  333.942  126.677 -155.1751 144.6055 
1 1 1   13   14   15 o  154.034   62.403   28.755   58.341   28.755   58.341   0.0000   0.0000  154.034   62.403  ?   ?       ?      ? 
1 1 1   13   14   16 o  412.791  109.857  455.928  180.082  455.928  180.082   0.0000   0.0000  412.791  109.857  ?   ?       ?      ? 
1 1 1   13   14   17 o  172.849   71.403   38.995   78.249   38.995   78.249   0.0000   0.0000  172.849   71.403  ?   ?       ?      ? 
1 1 1   13   14   18 o  246.288   92.602  149.850  120.832  149.850  120.832   0.0000   0.0000  246.288   92.602  ?   ?       ?      ? 
1 1 1   13   14   19 o  160.891   73.278 -16.8796  101.318 -16.8796  101.318   0.0000   0.0000  160.891   73.278  ?   ?       ?      ? 
1 1 1   13   14   20 o  182.681   80.520   29.472  111.840   29.472  111.840   0.0000   0.0000  182.681   80.520  ?   ?       ?      ? 
1 1 1   13   14   21 o  213.067   75.162  109.239   77.803  109.239   77.803   0.0000   0.0000  213.067   75.162  ?   ?       ?      ? 
1 1 1   13   14   22 o  278.490   89.239  216.220  109.777  216.220  109.777   0.0000   0.0000  278.490   89.239  ?   ?       ?      ? 
1 1 1   13   14   23 o  148.708   66.898   0.1685   81.371   0.1685   81.371   0.0000   0.0000  148.708   66.898  ?   ?       ?      ? 
1 1 1   13   14   24 o  198.235   80.500   98.179   97.334   98.179   97.334   0.0000   0.0000  198.235   80.500  ?   ?       ?      ? 
1 1 1   13   14   25 o  160.436   68.954   42.152   77.769   42.152   77.769   0.0000   0.0000  160.436   68.954  ?   ?       ?      ? 
1 1 1   13   14   26 o  161.479   51.819   27.318   69.946   33.387   89.294   17.681  112.524  159.584   71.057  163.373   75.442 -3.789246 103.6374 
1 1 1   13   14   27 f  145.773   41.220   38.641   18.591   40.045   18.800 -23.3849  124.952  135.021   35.287  156.526   74.507 -21.50504 82.44098 
1 1 1   13   14   28 o  262.675   49.888  199.934   38.461  201.618   39.802  176.197  149.440  309.440   32.961  215.911   94.174 93.52907 99.77514 
1 1 1   13   14   29 f  215.027   44.334  129.144   30.010  132.048   30.767   72.325  136.114  250.619   31.459  179.434   82.899 71.18567 88.66776 
1 1 1   13   15    0 o  240.351   74.056  122.035   76.323   0.0000   0.0000  122.035   76.323  ?   ?   240.351   74.056      ?      ? 
1 1 1   13   15    1 o  465.121   71.840  491.514  126.915  431.362  176.181  556.399  182.982  432.419  105.371  497.823   97.678 -65.40366 143.6801 
1 1 1   13   15    2 o  272.429   56.050  160.526   63.211  172.129   91.033  149.724   87.839  281.179   79.449  263.679   79.084 17.49997 112.1002 
1 1 1   13   15    3 o  308.511   59.323  209.150   73.647  239.556  105.981  180.756  102.416  329.758   82.548  287.265   85.222 42.49304 118.6463 
1 1 1   13   15    4 o  360.266   64.092  290.988   90.028  293.135  127.774  288.871  126.868  361.568   90.709  358.964   90.570 2.604004 128.1838 
1 1 1   13   15    5 o  151.749   39.536   32.314   31.905   9.0062   42.612   62.050   48.131  125.761   52.381  177.737   59.232 -51.97641 79.07110 
1 1 1   13   15    6 o  151.159   40.621   34.320   32.153   32.195   40.357   38.014   53.201  142.891   53.558  159.428   61.090 -16.53665 81.24290 
1 1 1   13   15    7 o  233.421   50.537  117.738   51.378  140.564   66.185   83.124   81.502  255.732   65.906  211.111   76.632 44.62125 101.0747 
1 1 1   13   15    8 o  456.073   64.662  475.169  107.964  505.793  135.327  421.549  179.070  490.928   70.637  421.217  108.328 69.71100 129.3235 
1 1 1   13   15    9 o  197.331   51.252   54.889   44.046   38.769   49.516  115.991   96.403  156.401   59.173  238.261   83.700 -81.85956 102.5046 
1 1 1   13   15   10 o  366.599   74.606  295.343  103.103  295.343  103.103   0.0000   0.0000  366.599   74.606  ?   ?       ?      ? 
1 1 1   13   15   11 o  707.521   86.507  1114.23  238.848  1114.23  238.848   0.0000   0.0000  707.521   86.507  ?   ?       ?      ? 
1 1 1   13   15   12 o  235.966   60.876   78.048   49.615   63.163   52.489  202.913  152.023  178.662   61.817  293.269  104.891 -114.6065 121.7516 
1 1 1   13   15   13 o  276.289   66.526  163.919   66.324  162.861   70.332  172.414  199.299  270.412   66.994  282.167  114.956 -11.75549 133.0530 
1 1 1   13   15   14 o  318.530   77.015  160.470   86.184  106.761   92.588  508.919  235.832  223.910   81.617  413.151  130.630 -189.2412 154.0309 
1 1 1   13   15   15 o  224.148   80.287  111.446   89.101  111.446   89.101   0.0000   0.0000  224.148   80.287  ?   ?       ?      ? 
1 1 1   13   15   16 o  166.224   60.282   54.384   50.417   54.384   50.417   0.0000   0.0000  166.224   60.282  ?   ?       ?      ? 
1 1 1   13   15   17 o  202.794   81.688   79.184   99.359   79.184   99.359   0.0000   0.0000  202.794   81.688  ?   ?       ?      ? 
1 1 1   13   15   18 o  245.451   63.069  165.179   81.522  197.998   86.534 -93.7651  243.066  282.951   76.525  207.951  100.272 75.00034 126.1372 
1 1 1   13   15   19 o  223.510   62.065  122.396   75.554  145.610   80.578 -46.5513  217.377  241.729   76.349  205.292   97.872 36.43625 124.1299 
1 1 1   13   15   20 o  226.312   64.479  121.709   77.976  126.365   85.779   99.558  187.110  225.152   78.962  227.472  101.956 -2.319656 128.9574 
1 1 1   13   15   21 o  232.832   65.358  147.746   91.746  181.067  102.669   15.670  204.406  257.353   86.512  208.311   97.992 49.04251 130.7170 
1 1 1   13   15   22 o  204.961   63.974   66.926   80.068   44.398   88.526  168.206  187.704  172.535   73.844  237.388  104.487 -64.85297 127.9477 
1 1 1   13   15   23 o  232.721   89.221  163.435  113.517  163.435  113.517   0.0000   0.0000  232.721   89.221  ?   ?       ?      ? 
1 1 1   13   15   24 f  155.441   50.627   8.9239   66.145   25.681   75.815 -44.4860  135.353  151.574   66.568  159.307   76.297 -7.732742 101.2548 
1 1 1   13   15   25 o  179.515   54.926   72.602   68.726   84.019   80.517   41.961  131.908  182.275   73.496  176.755   81.643 5.519745 109.8513 
1 1 1   13   15   26 o  172.269   55.396   34.505   77.666  -6.2138   96.687  108.566  130.397  148.305   68.984  196.232   86.695 -47.92644 110.7917 
1 1 1   13   15   27 o  199.072   63.805  112.265  103.522  186.701  168.755   67.352  131.084  216.984   97.071  181.160   82.835 35.82365 127.6103 
1 1 1   13   15   28 o  342.626   53.661  432.964   59.340  452.739   62.446  248.892  190.518  460.766   34.729  224.486  101.547 236.2798 107.3212 
1 1 1   13   16    0 o  302.179   59.650  202.392   72.949  214.449  106.433  191.710  100.183  310.144   85.283  294.214   83.421 15.92990 119.2994 
1 1 1   13   16    1 o  486.787   75.451  552.627  139.435  515.696  195.507  590.858  198.920  467.985  109.070  505.589  104.283 -37.60379 150.9013 
1 1 1   13   16    2 o  217.917   48.962   94.323   48.254  136.251   71.225   58.751   65.605  251.309   70.019  184.526   68.458 66.78343 97.92448 
1 1 1   13   16    3 o  277.402   57.225  168.509   65.999  190.470   95.164  148.156   91.611  293.471   80.619  261.332   81.236 32.13919 114.4498 
1 1 1   13   16    4 o  343.096   59.675  265.314   79.061  280.217  104.748  245.585  120.522  357.343   77.358  328.850   90.887 28.49298 119.3509 
1 1 1   13   16    5 o  216.831   51.147   96.084   50.377   93.285   66.514   99.849   77.150  212.585   69.573  221.078   74.991 -8.493576 102.2939 
1 1 1   13   16    6 o  685.518  144.682  1245.31  374.889   0.0000   0.0000  1245.31  374.889  ?   ?   685.518  144.682      ?      ? 
1 1 1   13   16    7 o  281.405   60.487  178.571   72.739  196.914   99.079  157.127  107.129  295.716   82.651  267.094   88.338 28.62149 120.9747 
1 1 1   13   16    8 o  282.493   60.356  168.241   69.660  134.505   85.795  233.505  119.331  247.895   78.834  317.090   91.415 -69.19516 120.7129 
1 1 1   13   16   10 o  298.492   64.307  212.932   78.289  224.093   91.364  182.095  151.869  315.055   75.330  281.930  104.244 33.12454 128.6137 
1 1 1   13   16   11 o  187.037   54.081   41.514   37.893   38.221   39.455   80.644  136.006  146.241   53.283  227.832   94.128 -81.59148 108.1622 
1 1 1   13   16   12 o  657.683   85.859  1000.83  220.361  1000.83  220.361   0.0000   0.0000  657.683   85.859  ?   ?       ?      ? 
1 1 1   13   16   13 o  271.337   69.130  133.803   59.816  122.318   62.277  270.559  214.900  232.819   65.689  309.855  121.658 -77.03651 138.2597 
1 1 1   13   16   14 o  215.473   62.595   81.373   53.631   84.464   55.199   29.273  226.629  195.949   63.332  234.999  107.990 -39.05002 125.1903 
1 1 1   13   16   15 o  234.528   70.540  129.193   69.811  129.193   69.811   0.0000   0.0000  234.528   70.540  ?   ?       ?      ? 
1 1 1   13   16   16 o  115.415   48.576   8.9040   37.228   8.9040   37.228   0.0000   0.0000  115.415   48.576  ?   ?       ?      ? 
1 1 1   13   16   17 o  216.423   71.763  111.459   70.682  111.459   70.682   0.0000   0.0000  216.423   71.763  ?   ?       ?      ? 
1 1 1   13   16   18 o  124.453   44.064 -16.2128   30.767  -7.7817   31.142 -359.6041  198.747   94.122   41.932  154.784   77.514 -60.66276 88.12873 
1 1 1   13   16   19 o  211.384   64.773   83.167   98.794  100.115  140.344   66.520  139.096  217.670   93.065  205.098   90.118 12.57253 129.5469 
1 1 1   13   16   20 o  180.231   56.059   39.816   70.011   43.375   81.269   29.573  137.872  170.270   71.722  190.193   86.178 -19.92372 112.1189 
1 1 1   13   16   21 o  238.667   67.901  168.347   92.841  177.746  103.123  128.139  213.288  250.003   86.639  227.330  104.576 22.67268 135.8026 
1 1 1   13   16   22 o  220.944   62.496  141.948   97.172  217.638  112.099 -86.8435  194.896  264.994   90.392  176.894   86.326 88.09962 124.9916 
1 1 1   13   16   23 o  244.374   90.271  195.886  113.831  195.886  113.831   0.0000   0.0000  244.374   90.271  ?   ?       ?      ? 
1 1 1   13   16   24 o  161.113   51.942   25.917   66.910   27.514   78.497   21.670  127.956  152.213   67.256  170.012   79.173 -17.79900 103.8830 
1 1 1   13   16   25 o  168.859   53.908   44.676   72.865   62.344   84.251  -7.7601  145.144  170.344   72.450  167.374   79.845 2.969147 107.8156 
1 1 1   13   16   26 o  174.549   54.524   64.287   72.064   79.179   86.526   30.566  130.203  178.316   74.488  170.781   79.643 7.535477 109.0475 
1 1 1   13   16   27 o  192.462   86.023  112.189  132.206   0.0000   0.0000  112.189  132.206  ?   ?   192.462   86.023      ?      ? 
1 1 1   13   17    0 o  315.306   90.592  228.779  117.372  228.779  117.372   0.0000   0.0000  315.306   90.592  ?   ?       ?      ? 
1 1 1   13   17    1 o  221.587   76.253  100.831   79.814  100.831   79.814   0.0000   0.0000  221.587   76.253  ?   ?       ?      ? 
1 1 1   13   17    2 o  465.396   74.748  515.844  132.962  607.911  195.279  436.272  181.546  508.049  102.039  422.743  109.256 85.30646 149.4955 
1 1 1   13   17    3 o  221.215   47.862   96.867   50.449  166.559   71.504   27.791   71.188  276.131   67.031  166.299   68.336 109.8323 95.72342 
1 1 1   13   17    4 o  281.703   57.287  176.869   65.777  162.256   86.561  196.837  101.186  269.423   77.912  293.983   84.006 -24.56015 114.5744 
1 1 1   13   17    5 o  433.312   70.174  451.529  114.403  468.204  146.986  425.904  182.212  453.656   86.177  412.967  110.776 40.68979 140.3487 
1 1 1   13   17    6 o  343.530   58.021  283.783   84.263  398.949  112.021  133.707  127.878  433.409   66.232  253.651   95.285 179.7573 116.0428 
1 1 1   13   17    7 o  524.979   83.140  616.615  170.326  616.615  170.326   0.0000   0.0000  524.979   83.140  ?   ?       ?      ? 
1 1 1   13   17    8 o  492.269   79.798  540.806  153.295  540.806  153.295   0.0000   0.0000  492.269   79.798  ?   ?       ?      ? 
1 1 1   13   17    9 o  382.750   69.025  338.787   95.986  301.128  113.474  433.508  179.964  358.767   82.739  406.732  110.507 -47.96497 138.0491 
1 1 1   13   17   10 o  191.903   53.939   60.683   47.976   62.911   51.771   47.138  127.654  176.402   61.373  207.405   88.719 -31.00328 107.8784 
1 1 1   13   17   11 o  391.994   87.314  451.743  147.885  420.727  194.707  494.030  227.349  382.321  118.364  401.667  128.394 -19.34546 174.6281 
1 1 1   13   17   12 o  214.612   61.724   84.646   63.016   89.286   66.952   48.616  186.554  202.090   69.822  227.134  101.805 -25.04457 123.4479 
1 1 1   13   17   13 o  269.604   72.390  184.259   92.476  186.753  100.660  170.766  234.130  272.595   85.223  266.614  117.039 5.981262 144.7791 
1 1 1   13   17   14 o  303.559   79.032  264.954  110.515  256.950  121.311  304.012  267.981  309.976   92.931  297.142  127.860 12.83356 158.0647 
1 1 1   13   17   15 o  270.253   85.774  190.368  101.604  190.368  101.604   0.0000   0.0000  270.253   85.774  ?   ?       ?      ? 
1 1 1   13   17   16 o  271.240   86.277  194.788  102.755  194.788  102.755   0.0000   0.0000  271.240   86.277  ?   ?       ?      ? 
1 1 1   13   17   18 o  214.992   59.189  111.790   75.856  150.508   90.632   21.229  138.612  240.539   81.281  189.445   86.061 51.09416 118.3772 
1 1 1   13   17   19 o  243.984   64.789  169.759   88.164  218.387  115.363  101.479  136.701  274.646   91.708  213.321   91.544 61.32448 129.5789 
1 1 1   13   17   20 o  206.131   91.015   90.474  143.505   0.0000   0.0000   90.474  143.505  ?   ?   206.131   91.015      ?      ? 
1 1 1   13   17   21 f  217.511   99.584  136.412  190.292   0.0000   0.0000  136.412  190.292  ?   ?   217.511   99.584      ?      ? 
1 1 1   13   17   22 o  215.097   63.712  146.065   89.511  154.223  109.851  129.947  154.413  221.663   86.997  208.532   93.103 13.13156 127.4234 
1 1 1   13   17   23 o  209.120   62.717  137.981   87.385  136.519  108.079  140.743  148.502  209.789   84.954  208.452   92.285 1.336517 125.4340 
1 1 1   13   17   24 o  141.322   47.903 -37.4220   66.260 -40.8167   76.977 -27.7127  130.181  124.932   59.180  157.713   75.341 -32.78108 95.80505 
1 1 1   13   17   25 o  248.246   68.489  244.366  114.704  387.533  151.099   49.649  176.215  311.940  104.951  184.553   88.022 127.3870 136.9771 
1 1 1   13   17   26 o  179.703   56.072   80.727   74.989   87.112   89.845   66.063  136.148  180.461   75.681  178.945   82.757 1.515564 112.1441 
1 1 1   13   18    0 o  130.188   39.800  -1.9401   36.449   14.068   57.666 -12.5908   47.037  144.332   60.586  116.043   51.628 28.28891 79.59978 
1 1 1   13   18    1 o  425.493   75.915  455.987  126.039  451.042  179.757  460.771  176.774  421.998  108.539  428.988  106.168 -6.990265 151.8305 
1 1 1   13   18    2 o  308.485   64.118  225.249   82.754  263.438  120.607  191.274  113.756  332.182   90.554  284.789   90.798 47.39343 128.2358 
1 1 1   13   18    3 o  623.097   77.386  993.448  175.934  1407.74  249.797  585.646  247.831  793.032   80.717  453.163  132.059 339.8690 154.7729 
1 1 1   13   18    4 o  189.442   69.891   68.299   68.191   68.299   68.191   0.0000   0.0000  189.442   69.891  ?   ?       ?      ? 
1 1 1   13   18    5 o  238.108   74.532  127.607   76.963  127.607   76.963   0.0000   0.0000  238.108   74.532  ?   ?       ?      ? 
1 1 1   13   18    6 o  374.341   88.936  337.344  127.998  337.344  127.998   0.0000   0.0000  374.341   88.936  ?   ?       ?      ? 
1 1 1   13   18    7 o  234.741   72.447  125.153   73.009  125.153   73.009   0.0000   0.0000  234.741   72.447  ?   ?       ?      ? 
1 1 1   13   18    8 o  592.104   87.152  830.031  201.376  830.031  201.376   0.0000   0.0000  592.104   87.152  ?   ?       ?      ? 
1 1 1   13   18    9 o  281.243   79.635  190.257   91.360  190.257   91.360   0.0000   0.0000  281.243   79.635  ?   ?       ?      ? 
1 1 1   13   18   10 o  142.965   56.730   29.650   47.191   29.650   47.191   0.0000   0.0000  142.965   56.730  ?   ?       ?      ? 
1 1 1   13   18   11 o  209.976   70.377  100.666   67.940  100.666   67.940   0.0000   0.0000  209.976   70.377  ?   ?       ?      ? 
1 1 1   13   18   12 o  471.127   77.134  526.702  141.812  526.702  141.812   0.0000   0.0000  471.127   77.134  ?   ?       ?      ? 
1 1 1   13   18   13 o  184.608   64.983   74.546   58.128   74.546   58.128   0.0000   0.0000  184.608   64.983  ?   ?       ?      ? 
1 1 1   13   18   14 o  172.332   62.045   62.705   53.275   62.705   53.275   0.0000   0.0000  172.332   62.045  ?   ?       ?      ? 
1 1 1   13   18   15 f  203.989   83.453   85.582  105.587   85.582  105.587   0.0000   0.0000  203.989   83.453  ?   ?       ?      ? 
1 1 1   13   18   16 o  163.885   62.266   52.884   54.975   52.884   54.975   0.0000   0.0000  163.885   62.266  ?   ?       ?      ? 
1 1 1   13   18   17 o   93.219   43.168 -24.1534   37.227 -24.1534   37.227   0.0000   0.0000   93.219   43.168  ?   ?       ?      ? 
1 1 1   13   18   18 o  157.449   49.031   24.586   51.965   34.645   58.155 -15.2694  115.754  150.412   61.781  164.487   76.153 -14.07506 98.06216 
1 1 1   13   18   19 o  170.035   52.719   39.849   61.499   40.956   71.526   36.711  120.442  160.234   67.379  179.836   81.100 -19.60146 105.4377 
1 1 1   13   18   20 o  232.884   71.609  196.745  127.117  106.079  198.492  259.783  165.510  208.785   97.685  256.983  104.735 -48.19830 143.2188 
1 1 1   13   18   21 o  228.425   60.933  157.743   97.738  291.141  120.109 -103.7399  168.159  296.698   93.147  160.152   78.580 136.5453 121.8656 
1 1 1   13   18   22 o  238.369   65.753  214.423   99.081  270.504  121.081  100.753  172.382  279.012   93.949  197.726   92.018 81.28526 131.5056 
1 1 1   13   18   23 o  165.064   53.297   33.729   72.831   46.132   85.209   0.0994  140.310  162.743   71.044  167.385   79.466 -4.641586 106.5934 
1 1 1   13   18   24 o  199.032   60.549  122.737   86.090  142.181  101.011   71.120  164.579  211.061   83.236  187.003   87.956 24.05782 121.0972 
1 1 1   13   18   25 o  226.050   67.445  197.163  116.331  350.842  157.881   14.629  172.066  278.228  105.565  173.872   83.971 104.3561 134.8895 
1 1 1   13   19    0 o  511.253   84.953  711.681  167.486  927.107  256.284  551.088  221.277  587.001  115.993  435.505  124.152 151.4964 169.9059 
1 1 1   13   19    1 o  218.241   77.967  103.495   83.972   0.0000   0.0000  103.495   83.972  ?   ?   218.241   77.967      ?      ? 
1 1 1   13   19    2 o  317.985   60.849  245.302   82.856  358.350  119.103  139.286  115.339  389.820   80.941  246.150   90.879 143.6698 121.6985 
1 1 1   13   19    3 o  276.274   59.402  184.263   75.305  261.684  103.908   98.612  109.292  330.983   81.086  221.566   86.830 109.4171 118.8042 
1 1 1   13   19    5 o  313.893   66.964  259.714   89.703  283.484  113.734  220.591  145.913  339.284   85.835  288.502  102.806 50.78241 133.9284 
1 1 1   13   19    6 o  410.505   76.758  468.246  122.582  471.031  152.593  463.178  205.833  431.444   93.343  389.566  121.879 41.87735 153.5168 
1 1 1   13   19    7 o  151.293   48.455   3.6440   48.504   17.884   52.058 -90.0885  133.563  138.574   57.822  164.013   77.768 -25.43890 96.90910 
1 1 1   13   19    8 o  454.297  103.580  775.775  209.174  766.248  303.634  784.381  288.574  444.212  148.779  464.381  144.152 -20.16840 207.1594 
1 1 1   13   19    9 o  165.165   53.482  -0.4347   49.306  -5.8745   52.259   43.651  148.772  123.623   54.737  206.707   91.898 -83.08360 106.9643 
1 1 1   13   19   10 o  238.932   64.556  142.239   77.023  155.275   83.514   68.034  199.258  250.477   77.515  227.388  103.254 23.08913 129.1124 
1 1 1   13   19   11 o  253.276   77.033  155.590  127.729  117.438  152.560  245.027  233.581  230.285   97.702  276.268  119.123 -45.98328 154.0651 
1 1 1   13   19   12 o  211.883   66.606   49.967   52.796   41.052   54.104  227.818  241.643  154.903   60.972  268.864  118.440 -113.9617 133.2122 
1 1 1   13   19   13 o  206.676   61.043   81.679   60.832   83.670   63.935   62.645  197.666  192.240   68.100  221.111  101.329 -28.87100 122.0867 
1 1 1   13   19   14 o  144.712   47.490   0.3351   45.351   13.303   47.580 -128.4113  149.917  129.011   54.639  160.413   77.690 -31.40204 94.97987 
1 1 1   13   19   15 o  137.230   57.728   19.452   52.536   19.452   52.536   0.0000   0.0000  137.230   57.728  ?   ?       ?      ? 
1 1 1   13   19   16 o  204.647   73.026  102.715   73.646  102.715   73.646   0.0000   0.0000  204.647   73.026  ?   ?       ?      ? 
1 1 1   13   19   17 o  263.079   86.057  199.072  101.770  199.072  101.770   0.0000   0.0000  263.079   86.057  ?   ?       ?      ? 
1 1 1   13   19   18 o  154.689   50.978 -15.9495   48.124 -33.1676   51.519  101.916  134.793  106.063   49.669  203.316   89.039 -97.25303 101.9558 
1 1 1   13   19   19 o  189.675   57.258   82.664   66.098   79.139   73.946   96.673  147.427  180.558   71.214  198.792   89.680 -18.23373 114.5159 
1 1 1   13   19   20 o  230.127   58.789  173.393   90.373  272.965  106.070 -90.3344  172.624  297.417   86.315  162.838   79.841 134.5791 117.5789 
1 1 1   13   19   21 o  174.788   55.976   53.287   79.557   73.662   91.140 -11.9339  163.062  177.646   75.450  171.931   82.708 5.714600 111.9522 
1 1 1   13   19   22 o  170.020   73.825   58.693   90.981   58.693   90.981   0.0000   0.0000  170.020   73.825  ?   ?       ?      ? 
1 1 1   13   19   23 o  162.452   54.181   14.198   72.493   5.2106   80.484   52.836  166.876  142.172   64.969  182.733   86.727 -40.56064 108.3626 
1 1 1   13   19   24 o  124.712   44.483 -114.5264   64.724 -116.4540   70.970 -104.9986  157.781   99.163   49.104  150.261   74.187 -51.09815 88.96619 
1 1 1   13   20    0 o  253.312   88.099  161.053  106.673   0.0000   0.0000  161.053  106.673  ?   ?   253.312   88.099      ?      ? 
1 1 1   13   20    1 o  190.122   63.670  -1.1655   67.365   40.947  247.830  -4.5253   70.001  237.777  110.548  142.468   63.202 95.30830 127.3399 
1 1 1   13   20    2 o  182.990   62.577 -32.1158   64.595   70.848  239.774 -40.1733   67.075  241.641  111.055  124.340   57.709 117.3005 125.1538 
1 1 1   13   20    3 o  183.867   52.698   40.624   66.474  109.599   84.529 -71.1676  107.613  217.875   78.183  149.859   70.680 68.01569 105.3957 
1 1 1   13   20    4 o  205.529   79.255   89.780   89.929   89.780   89.929   0.0000   0.0000  205.529   79.255  ?   ?       ?      ? 
1 1 1   13   20    5 o  223.296   62.326  112.132   78.373  115.688   96.898  105.406  133.273  222.385   83.060  224.207   92.948 -1.822159 124.6526 
1 1 1   13   20    6 o  267.345   68.024  197.484   90.379  214.266  106.564  154.476  170.592  286.138   87.397  248.552  104.263 37.58614 136.0477 
1 1 1   13   20    7 o  252.415   66.795  161.249   80.698  156.625   91.374  177.640  172.040  248.902   81.549  255.929  105.811 -7.027512 133.5896 
1 1 1   13   20    8 o  191.618   57.915   56.429   63.771   58.120   69.995   48.171  154.697  176.094   69.338  207.141   92.784 -31.04697 115.8307 
1 1 1   13   20    9 o  252.672   69.777  145.056   81.266  120.294   89.513  261.158  193.827  222.081   80.357  283.264  114.097 -61.18294 139.5542 
1 1 1   13   20   10 o  278.365   74.266  159.959   79.580  122.796   85.111  418.336  224.414  223.325   78.630  333.405  126.013 -110.0802 148.5327 
1 1 1   13   20   11 o  389.073  102.674  687.236  208.093  646.848  272.737  743.503  321.915  390.101  140.390  388.045  149.861 2.055603 205.3480 
1 1 1   13   20   12 o  164.581   53.744   6.1302   47.095   1.7471   49.305   51.764  159.089  123.346   53.938  205.816   92.975 -82.46975 107.4883 
1 1 1   13   20   13 o  228.186   62.097  134.348   73.916  137.329   85.404  125.450  147.559  230.784   78.897  225.587   95.912 5.196152 124.1933 
1 1 1   13   20   14 o  180.213   55.171   47.964   60.559   44.644   67.620   61.414  136.110  162.717   66.702  197.710   87.899 -34.99358 110.3423 
1 1 1   13   20   15 o  272.687   83.143  207.661   96.504  207.661   96.504   0.0000   0.0000  272.687   83.143  ?   ?       ?      ? 
1 1 1   13   20   16 o  149.691   63.157   32.319   63.183   32.319   63.183   0.0000   0.0000  149.691   63.157  ?   ?       ?      ? 
1 1 1   13   20   17 o  204.868   76.877  115.124   83.198  115.124   83.198   0.0000   0.0000  204.868   76.877  ?   ?       ?      ? 
1 1 1   13   20   18 o  237.566   64.627  202.419   89.388  221.906  100.170  126.233  198.060  267.728   85.187  207.403   97.210 60.32497 129.2542 
1 1 1   13   20   19 o  179.510   56.040   70.166   72.524   88.033   79.384 -20.0023  178.337  184.212   73.426  174.808   84.679 9.403564 112.0802 
1 1 1   13   20   20 f  148.256   51.593 -105.9077   88.346 -158.3743  105.341   18.493  162.206  119.145   59.142  177.366   84.555 -58.22097 103.1859 
1 1 1   13   20   21 o  176.928   60.632  -7.4116  129.922 -70.4187  182.494   57.344  185.008  166.207   81.613  187.649   89.690 -21.44176 121.2646 
1 1 1   13   20   22 o  195.306   90.685  114.511  165.910  114.511  165.910   0.0000   0.0000  195.306   90.685  ?   ?       ?      ? 
1 1 1   13   20   23 o  207.115   68.981  164.774  135.141   67.935  166.990  348.577  230.058  181.139   86.198  233.092  107.720 -51.95355 137.9628 
1 1 1   13   21    0 o  105.502   36.780 -102.2926   44.341 -82.4595   84.289 -109.8810   52.138  126.267   60.403   84.736   41.983 41.53049 73.56042 
1 1 1   13   21    1 o  187.450   63.318  -8.9787   71.662   66.710  247.298 -15.9171   74.875  234.698  109.554  140.203   63.519 94.49467 126.6360 
1 1 1   13   21    2 o  152.934   48.021 -24.9373   63.786   54.984   82.638 -142.7333  100.326  180.098   73.772  125.771   61.497 54.32725 96.04284 
1 1 1   13   21    3 o  196.199   59.263   58.277   75.683   46.318   91.587   84.027  134.391  179.837   75.966  212.562   90.981 -32.72478 118.5256 
1 1 1   13   21    4 o  449.442  104.677  577.310  180.174  577.310  180.174   0.0000   0.0000  449.442  104.677  ?   ?       ?      ? 
1 1 1   13   21    5 o  432.894  108.068  865.677  230.595  806.170  337.200  917.952  316.048  403.373  153.981  462.416  151.672 -59.04303 216.1360 
1 1 1   13   21    6 o  284.377   73.275  243.038  102.505  246.872  118.269  231.463  205.499  298.762   92.209  269.993  113.906 28.76901 146.5508 
1 1 1   13   21    7 o  204.223   66.595  -6.6587  122.940  130.937  189.552 -106.5663  161.520  237.303  104.699  171.143   82.325 66.15959 133.1891 
1 1 1   13   21    8 o  324.583   87.769  389.209  170.062  183.586  237.378  606.034  243.758  253.811  114.214  395.354  133.301 -141.5431 175.5386 
1 1 1   13   21    9 o  282.375   83.043  274.958  158.699  412.997  223.960  135.741  224.913  324.943  125.136  239.807  109.204 85.13638 166.0864 
1 1 1   13   21   10 o  319.534   93.303  454.610  193.480  310.211  265.305  618.652  282.775  277.854  123.163  361.214  140.189 -83.36041 186.6064 
1 1 1   13   21   11 o  196.286   65.299  -2.1001  125.869 -31.2535  163.832   39.898  196.637  183.562   86.769  209.011   97.606 -25.44856 130.5978 
1 1 1   13   21   12 o  241.665   71.630  179.189  114.672  217.618  161.796  140.401  162.549  256.084  103.859  227.247   98.676 28.83736 143.2608 
1 1 1   13   21   13 o  186.019   58.185   9.2718   92.828  154.551  129.141 -146.0409  133.526  228.803   92.790  143.236   70.228 85.56683 116.3701 
1 1 1   13   21   14 o  139.456   48.230 -115.6445   84.436 -97.4774  105.216 -148.5094  141.516  133.601   64.795  145.311   71.457 -11.70973 96.45969 
1 1 1   13   21   15 o  111.358   52.910 -48.3254   62.450 -48.3254   62.450   0.0000   0.0000  111.358   52.910  ?   ?       ?      ? 
1 1 1   13   21   16 o  145.186   63.314   24.060   67.518   24.060   67.518   0.0000   0.0000  145.186   63.314  ?   ?       ?      ? 
1 1 1   13   21   17 o  206.046   79.188  124.436   89.557  124.436   89.557   0.0000   0.0000  206.046   79.188  ?   ?       ?      ? 
1 1 1   13   21   18 o  181.785   74.853   83.643   85.631   83.643   85.631   0.0000   0.0000  181.785   74.853  ?   ?       ?      ? 
1 1 1   13   21   19 o  115.169   54.700 -44.1005   66.617 -44.1005   66.617   0.0000   0.0000  115.169   54.700  ?   ?       ?      ? 
1 1 1   13   21   20 o  148.076   72.181 -77.8249  135.163 -77.8249  135.163   0.0000   0.0000  148.076   72.181  ?   ?       ?      ? 
1 1 1   13   21   21 o   97.502   48.532 -134.2040   72.912 -134.2040   72.912   0.0000   0.0000   97.502   48.532  ?   ?       ?      ? 
1 1 1   13   22    0 o  170.998   51.445   13.666   65.412   97.091   92.581 -69.4887   92.431  206.090   80.150  135.906   64.515 70.18353 102.8896 
1 1 1   13   22    1 o  212.258   65.322   68.404   98.461  159.590  161.406   14.362  124.258  242.820  101.610  181.696   82.116 61.12436 130.6431 
1 1 1   13   22    2 o  189.577   60.725   24.209   95.173   44.509  117.712 -14.1118  161.731  189.227   83.029  189.927   88.635 -0.6997070 121.4499 
1 1 1   13   22    3 o  182.210   57.107  -0.4917   91.487  103.616  111.756 -212.0177  159.299  212.800   86.312  151.621   74.799 61.17896 114.2139 
1 1 1   13   22    4 o  220.646   92.608  113.127  134.704  113.127  134.704   0.0000   0.0000  220.646   92.608  ?   ?       ?      ? 
1 1 1   13   22    5 o  294.966   87.117  345.451  169.484  273.848  240.241  416.396  239.136  272.866  119.199  317.065  127.078 -44.19907 174.2331 
1 1 1   13   22    6 o  236.549   68.540  153.357   98.409  168.926  112.360  102.079  203.913  246.551   89.904  226.547  103.482 20.00397 137.0807 
1 1 1   13   22    7 o  440.732   91.847  778.268  176.225  796.837  213.163  738.175  313.218  508.686  110.540  372.778  146.712 135.9084 183.6937 
1 1 1   13   22    8 o  166.685   55.755  -8.0577   68.698  -5.0155   73.672 -28.3331  190.193  141.108   63.551  192.261   91.629 -51.15269 111.5103 
1 1 1   13   22    9 o  248.458   70.506  200.450  107.019  224.911  120.152  106.545  235.421  272.323   93.568  224.593  105.495 47.73044 141.0110 
1 1 1   13   22   10 o  197.760   62.561   75.122   86.996   90.486   93.648 -21.6397  235.020  195.615   79.127  199.905   96.926 -4.290237 125.1227 
1 1 1   13   22   11 o  256.218   69.664  225.174   96.720  228.983  108.914  210.966  210.365  274.638   88.980  237.797  107.215 36.84126 139.3289 
1 1 1   13   22   12 o  144.454   48.041  -9.6567   55.698  -0.7216   60.884 -55.5007  137.910  129.454   58.082  159.455   76.538 -30.00034 96.08105 
1 1 1   13   22   13 f  148.887   51.130 -49.0285   56.107 -69.4336   60.269   83.605  153.657  102.267   49.463  195.508   89.501 -93.24110 102.2601 
1 1 1   13   22   14 o  122.013   56.521 -20.7086   63.900 -20.7086   63.900   0.0000   0.0000  122.013   56.521  ?   ?       ?      ? 
1 1 1   13   22   15 o  125.922   57.678 -10.2076   63.934 -10.2076   63.934   0.0000   0.0000  125.922   57.678  ?   ?       ?      ? 
1 1 1   13   22   16 o  169.917   71.743   62.760   81.625   62.760   81.625   0.0000   0.0000  169.917   71.743  ?   ?       ?      ? 
1 1 1   13   22   17 o  178.527   74.987   77.704   88.427   77.704   88.427   0.0000   0.0000  178.527   74.987  ?   ?       ?      ? 
1 1 1   13   22   18 o  181.014   76.895   83.285   94.696   83.285   94.696   0.0000   0.0000  181.014   76.895  ?   ?       ?      ? 
1 1 1   13   22   19 o  196.745   61.577  124.789   97.680  157.003  105.467 -69.5247  259.030  215.340   85.011  178.151   89.108 37.18924 123.1550 
1 1 1   13   22   20 o  232.312   70.527  257.614  114.264  245.752  125.227  316.604  279.260  248.135   94.048  216.489  105.125 31.64630 141.0542 
1 1 1   13   23    0 o  164.993   52.275  -7.8198   76.918   73.018   94.713 -164.4205  131.825  189.192   78.388  140.794   69.181 48.39835 104.5498 
1 1 1   13   23    1 o  221.222   71.060  105.900  134.276  151.753  190.387   60.518  189.406  232.871  103.718  209.573   97.163 23.29832 142.1204 
1 1 1   13   23    2 o  275.527   76.154  273.260  122.006  293.977  145.928  225.150  222.383  299.330  103.102  251.724  112.107 47.60622 152.3086 
1 1 1   13   23    3 f  211.059   66.839   87.105  103.637   69.610  121.346  134.270  199.239  194.709   84.895  227.410  103.259 -32.70079 133.6772 
1 1 1   13   23    4 o  267.111  100.054  233.445  140.803  233.445  140.803   0.0000   0.0000  267.111  100.054  ?   ?       ?      ? 
1 1 1   13   23    5 o  240.037   72.356  178.901  110.818  168.169  126.566  214.156  229.399  236.346   93.183  243.727  110.718 -7.381042 144.7124 
1 1 1   13   23    6 o  183.562   59.822   34.251   86.632   38.149   97.099   19.042  191.822  171.030   75.218  196.094   93.043 -25.06406 119.6447 
1 1 1   13   23    7 o  161.443   54.952 -31.7696   73.443 -42.5141   80.247   23.646  182.244  130.094   61.259  192.791   91.248 -62.69702 109.9042 
1 1 1   13   23    8 o  146.933   50.499 -55.2434   72.676 -45.0533   80.314 -101.3010  170.746  128.749   60.826  165.117   80.628 -36.36743 100.9983 
1 1 1   13   23    9 o  316.110  132.382  623.478  274.271   0.0000   0.0000  623.478  274.271  ?   ?   316.110  132.382      ?      ? 
1 1 1   13   23   10 o  221.236   66.920  165.316  102.394  173.321  125.622  149.472  176.743  227.898   91.834  214.574   97.363 13.32466 133.8395 
1 1 1   13   23   11 o  206.959   62.357  130.360   93.691  170.940  112.912   40.661  167.871  228.252   88.585  185.666   87.784 42.58559 124.7136 
1 1 1   13   23   12 o  215.353   64.661  158.744   99.280  192.368  119.226   82.697  179.301  235.751   91.158  194.955   91.731 40.79642 129.3226 
1 1 1   13   23   13 o  155.408   53.122 -18.1936   71.710 -19.4953   77.576 -10.5502  187.980  132.550   61.701  178.265   86.491 -45.71422 106.2434 
1 1 1   13   23   14 o  189.617   78.209   97.506   93.678   97.506   93.678   0.0000   0.0000  189.617   78.209  ?   ?       ?      ? 
1 1 1   13   23   15 o  309.292   98.155  343.900  133.056  343.900  133.056   0.0000   0.0000  309.292   98.155  ?   ?       ?      ? 
1 1 1   13   23   16 o  212.266   85.100  147.958  107.276  147.958  107.276   0.0000   0.0000  212.266   85.100  ?   ?       ?      ? 
1 1 1   13   23   17 o  133.533   62.043 -12.0480   77.864 -12.0480   77.864   0.0000   0.0000  133.533   62.043  ?   ?       ?      ? 
1 1 1   13   23   18 o  211.927   86.449  161.087  112.888  161.087  112.888   0.0000   0.0000  211.927   86.449  ?   ?       ?      ? 
1 1 1   13   24    0 o  167.801   76.214   24.600  108.639   24.600  108.639   0.0000   0.0000  167.801   76.214  ?   ?       ?      ? 
1 1 1   13   24    1 o  162.462   79.252 -95.9098  163.808 -95.9098  163.808   0.0000   0.0000  162.462   79.252  ?   ?       ?      ? 
1 1 1   13   24    2 o  285.542   97.486  279.209  130.388  279.209  130.388   0.0000   0.0000  285.542   97.486  ?   ?       ?      ? 
1 1 1   13   24    3 o  192.195   79.811   92.709   98.500   92.709   98.500   0.0000   0.0000  192.195   79.811  ?   ?       ?      ? 
1 1 1   13   24    4 o  120.675   58.365 -81.1527   83.895 -81.1527   83.895   0.0000   0.0000  120.675   58.365  ?   ?       ?      ? 
1 1 1   13   24    5 o  182.627   59.187  -5.4284   73.422 -61.7390   81.649  232.510  167.837  123.744   59.263  241.510  102.472 -117.7665 118.3748 
1 1 1   13   24    6 o  154.712   52.337 -25.7280   67.314 -43.0292   74.650   49.551  155.713  123.418   58.410  186.006   86.861 -62.58786 104.6736 
1 1 1   13   24    7 o  221.569   63.445  166.792   91.527  204.568  109.740   80.462  165.897  248.960   89.110  194.178   90.334 54.78128 126.8893 
1 1 1   13   24    8 o  201.193   61.042  108.358   80.345   80.934   96.613  169.854  144.674  182.926   77.687  219.459   94.177 -36.53311 122.0847 
1 1 1   13   24    9 o  155.821   51.846 -27.8549   71.375 -75.2052   84.754   87.631  132.362  121.538   58.754  190.104   85.440 -68.56554 103.6919 
1 1 1   13   24   10 o  234.084   65.696  208.166   98.639  249.214  116.882  106.588  183.864  268.771   92.289  199.396   93.522 69.37418 131.3915 
1 1 1   13   24   11 o  168.963   56.396   15.875   73.684  -0.2441   80.716   96.491  180.506  141.391   64.779  196.536   92.335 -55.14412 112.7923 
1 1 1   13   24   12 o  212.417   63.961  154.315   92.518  167.242  102.118   95.096  218.569  226.559   85.141  198.274   95.475 28.28412 127.9230 
1 1 1   13   24   13 o  134.108   49.651 -143.5464   64.145 -151.0376   66.732 -52.4916  232.652   89.320   44.757  178.897   88.644 -89.57723 99.30254 
1 1 1   13   24   14 o   97.919   49.329 -205.4718   86.822 -205.4718   86.822   0.0000   0.0000   97.919   49.329  ?   ?       ?      ? 
1 1 1   13   24   15 o  181.721   80.173   86.351  111.134   86.351  111.134   0.0000   0.0000  181.721   80.173  ?   ?       ?      ? 
1 1 1   13   25    0 o  181.003   58.385   58.846   84.902   50.114  100.277   80.953  159.553  170.150   75.556  191.855   89.030 -21.70522 116.7693 
1 1 1   13   25    1 o  207.975   65.940  139.561  109.985  125.941  145.762  157.567  167.598  203.439   90.671  212.510   95.767 -9.070465 131.8803 
1 1 1   13   25    2 o  142.501   49.049 -45.6547   62.436 -54.8199   68.570  -1.1957  151.023  113.894   54.483  171.108   81.576 -57.21416 98.09720 
1 1 1   13   25    3 o  136.665   46.888 -40.9126   62.704 -16.8710   67.421 -194.9105  170.637  125.977   58.252  147.354   73.490 -21.37670 93.77668 
1 1 1   13   25    4 o  212.683   83.436  140.681  100.999  140.681  100.999   0.0000   0.0000  212.683   83.436  ?   ?       ?      ? 
1 1 1   13   25    5 o  202.057   62.972  102.780   83.298   69.515   94.822  215.232  174.339  176.398   75.980  227.716  100.443 -51.31772 125.9431 
1 1 1   13   25    6 o  203.132   61.590  126.794   86.481  138.717  100.577   92.973  169.389  211.333   83.148  194.930   90.883 16.40282 123.1800 
1 1 1   13   25    7 o  188.898   59.370   85.081   82.274   69.323   98.409  121.669  149.949  176.807   76.776  200.989   90.579 -24.18169 118.7394 
1 1 1   13   25    8 o  138.592   47.575 -70.0786   69.204 -98.8993   81.967   1.4564  129.136  113.399   55.478  163.784   77.302 -50.38463 95.14912 
1 1 1   13   25    9 f  181.996   59.605   59.971   92.913   48.124  109.496   90.440  175.598  170.624   77.101  193.368   90.919 -22.74440 119.2091 
1 1 1   13   25   10 o  197.098   64.123  108.768  102.015  101.121  113.806  140.040  230.147  190.435   82.629  203.761   98.080 -13.32594 128.2465 
1 1 1   13   25   11 o  164.711   57.764 -44.9373   96.838 -68.1579  105.383   81.076  245.495  135.110   65.363  194.311   95.261 -59.20117 115.5288 
1 1 1   13   25   12 o  183.119   61.004   72.483  105.891   97.328  113.442 -95.7211  295.170  186.357   81.646  179.882   90.663 6.475082 122.0074 
1 1 1   13   25   13 f  347.724  102.736  1174.90  236.740  897.402  253.451  3073.57  662.968  381.533  135.543  313.916  154.425 67.61694 205.4724 
1 1 1   13   26    0 o  158.986   53.567 -14.6358   83.075 -35.2165   99.109   33.987  152.337  140.589   66.757  177.382   83.793 -36.79294 107.1345 
1 1 1   13   26    1 o  211.658   67.810  165.542  120.506  162.591  162.832  169.115  179.183  211.370   94.899  211.947   96.887 -0.5772705 135.6205 
1 1 1   13   26    2 o  184.768   59.588   69.543   83.452   51.895   95.200  128.108  173.419  167.807   74.110  201.729   93.331 -33.92175 119.1758 
1 1 1   13   26    3 o  158.107   53.182  -3.7392   72.520 -15.1468   81.134   41.587  161.728  135.666   63.134  180.549   85.600 -44.88284 106.3632 
1 1 1   13   26    4 o  214.582   85.197  151.240  106.492  151.240  106.492   0.0000   0.0000  214.582   85.197  ?   ?       ?      ? 
1 1 1   13   26    5 o  156.752   52.616 -28.9990   76.248 -80.3213   90.689   94.769  140.833  123.537   59.970  189.967   86.472 -66.42901 105.2317 
1 1 1   13   26    6 o  220.514   67.235  177.337   99.156  137.785  119.710  263.783  176.976  204.475   86.638  236.553  102.840 -32.07895 134.4696 
1 1 1   13   26    7 o  186.094   60.625   74.854   94.733   36.556  114.648  157.279  168.192  166.340   76.575  205.848   94.009 -39.50810 121.2497 
1 1 1   13   26    8 o  162.061   55.248 -10.7540   99.079   6.7993  116.532 -56.5452  188.215  157.690   74.118  166.431   81.951 -8.741501 110.4969 
1 1 1   13   26    9 o  177.901   61.627 -59.9554  109.275 -181.6221  125.719  316.006  220.997  125.392   62.622  230.410  106.161 -105.0186 123.2549 
1 1 1   13   27    0 f  215.161   65.764  189.693  103.442  205.311  125.556  156.693  182.508  229.002   91.975  201.321   94.021 27.68129 131.5270 
1 1 1   13   27    1 o  372.045   95.806  468.295  138.958  236.992  149.613  1920.90  374.932  231.626   97.427  512.463  164.995 -280.8365 191.6128 
1 1 1   13   27    2 o  208.926   61.856  160.771   97.444  230.501  117.483   7.0349  174.443  246.515   91.579  171.336   83.173 75.17969 123.7113 
1 1 1   13   27    3 o  303.186   85.124  506.018  152.434  291.132  191.013  882.861  252.952  231.870  103.535  374.503  135.147 -142.6333 170.2476 
1 1 1   14    0    1 o  407.822   17.261  329.257   38.530  329.257   38.530  329.257   38.530  407.822   24.410  407.822   24.410 0.000000 0.000000 
1 1 1   14    0    2 o  276.562   16.433  152.888   24.675  152.888   24.675  152.888   24.675  276.562   23.240  276.562   23.240 0.000000 0.000000 
1 1 1   14    0    3 o  1048.00   26.437  2170.12  152.463  2170.12  152.463  2170.12  152.463  1048.00   37.388  1048.00   37.388 0.000000 0.000000 
1 1 1   14    0    4 o  147.135   17.593   45.831   13.059   45.831   13.059   45.831   13.059  147.135   24.880  147.135   24.880 0.000000 0.000000 
1 1 1   14    0    5 o  582.068   27.350  675.584   86.966  675.584   86.966  675.584   86.966  582.068   38.678  582.068   38.678 -0.000000 0.000000 
1 1 1   14    0    6 o  339.788   24.111  233.454   44.170  233.454   44.170  233.454   44.170  339.788   34.099  339.788   34.099 -0.000000 0.000000 
1 1 1   14    0    7 o  537.618   26.551  576.479   77.893  576.479   77.893  576.479   77.893  537.618   37.548  537.618   37.548 0.000000 0.000000 
1 1 1   14    0    8 o  760.133   28.758  1146.87  119.852  1146.87  119.852  1146.87  119.852  760.133   40.670  760.133   40.670 -0.000000 0.000000 
1 1 1   14    0    9 o  488.852   23.317  475.175   62.249  475.175   62.249  475.175   62.249  488.852   32.975  488.852   32.975 0.000000 0.000000 
1 1 1   14    0   10 o  885.113   30.901  1554.30  150.106  1554.30  150.106  1554.30  150.106  885.113   43.701  885.113   43.701 0.000000 0.000000 
1 1 1   14    0   11 o  961.470   32.800  1835.48  173.122  1835.48  173.122  1835.48  173.122  961.470   46.387  961.470   46.387 0.000000 0.000000 
1 1 1   14    0   13 o  320.698   75.374  266.865  118.760  266.865  118.760  266.865  118.760  320.698  106.596  320.698  106.596 -0.000000 0.000000 
1 1 1   14    0   22 o  300.332   23.695  184.531   38.022  184.531   38.022  184.531   38.022  300.332   33.510  300.332   33.510 -0.000000 0.000000 
1 1 1   14    0   23 o  347.106   22.266  243.820   41.847  243.820   41.847  243.820   41.847  347.106   31.489  347.106   31.489 -0.000000 0.000000 
1 1 1   14    0   24 o   84.413   25.745   20.143   12.331   20.143   12.331   20.143   12.331   84.413   36.409   84.413   36.409 0.000000 0.000000 
1 1 1   14    0   29 o  158.202   28.312   58.881   21.375   58.881   21.375   58.881   21.375  158.202   40.040  158.202   40.040 -0.000000 0.000000 
1 1 1   14    0   31 o  206.524   26.711   94.424   27.434   94.424   27.434   94.424   27.434  206.524   37.776  206.524   37.776 -0.000000 0.000000 
1 1 1   14    0   32 o  177.898   28.710   73.308   24.560   73.308   24.560   73.308   24.560  177.898   40.603  177.898   40.603 -0.000000 0.000000 
1 1 1   14    1    0 o  640.321   28.167  815.639   70.331  784.776   97.256  849.471  101.828  627.685   39.705  652.958   39.962 -25.27313 56.33337 
1 1 1   14    1    1 o  446.029   21.256  387.027   34.762  409.634   61.372  376.348   42.180  454.629   34.593  437.429   24.710 17.20001 42.51125 
1 1 1   14    1    2 o  493.996   17.921  480.044   34.544  473.360   48.533  486.908   49.180  490.509   25.355  497.482   25.332 -6.973450 35.84129 
1 1 1   14    1    3 o  548.085   18.566  591.074   39.704  581.343   55.575  601.220   56.745  543.488   26.203  552.682   26.310 -9.194214 37.13249 
1 1 1   14    1    4 o  343.222   16.269  230.567   21.739  209.720   29.873  254.033   31.694  326.746   23.428  359.698   22.579 -32.95233 32.53776 
1 1 1   14    1    5 o  506.999   22.112  505.052   41.173  514.298   71.798  500.522   50.258  509.469   36.113  504.529   25.526 4.939880 44.22400 
1 1 1   14    1    6 o  492.555   21.819  465.487   39.028  444.243   46.761  514.269   70.857  475.424   25.204  509.686   35.624 -34.26215 43.63863 
1 1 1   14    1    7 o  1292.85   36.350  3387.90  178.967  3517.71  232.103  3197.56  281.062  1328.09   44.784  1257.60   57.270 70.49072 72.70084 
1 1 1   14    1    8 o  774.488   25.465  1200.63   75.002  1256.65   97.196  1118.18  117.919  798.401   31.196  750.575   40.259 47.82562 50.93061 
1 1 1   14    1    9 o  903.840   27.582  1636.52   96.139  1855.01  133.087  1398.08  139.030  968.914   35.198  838.766   42.475 130.1472 55.16376 
1 1 1   14    1   10 o  693.397   27.224  952.115   73.665  953.602  104.023  950.618  104.334  693.964   38.411  692.830   38.589 1.133667 54.44784 
1 1 1   14    1   11 o  687.890   27.069  914.120   71.741  1093.67  112.796  792.145   92.968  743.080   38.898  632.700   37.654 110.3797 54.13723 
1 1 1   14    1   12 o  520.486   36.322  535.634   73.774  535.634   73.774   0.0000   0.0000  520.486   36.322  ?   ?       ?      ? 
1 1 1   14    1   13 o  691.476   41.018  949.325  110.684  949.325  110.684   0.0000   0.0000  691.476   41.018  ?   ?       ?      ? 
1 1 1   14    1   16 f  619.060   39.403  761.763   95.190  761.763   95.190   0.0000   0.0000  619.060   39.403  ?   ?       ?      ? 
1 1 1   14    1   17 o  654.104   40.261  851.783  102.770  851.783  102.770   0.0000   0.0000  654.104   40.261  ?   ?       ?      ? 
1 1 1   14    1   18 o  257.846   31.928  131.457   32.127  131.457   32.127   0.0000   0.0000  257.846   31.928  ?   ?       ?      ? 
1 1 1   14    1   19 o  392.075   33.793  304.799   51.705  304.799   51.705   0.0000   0.0000  392.075   33.793  ?   ?       ?      ? 
1 1 1   14    1   20 o  680.119   41.069  926.848  109.002  926.848  109.002   0.0000   0.0000  680.119   41.069  ?   ?       ?      ? 
1 1 1   14    1   22 f  299.560   28.385  178.248   33.182  178.248   33.182   0.0000   0.0000  299.560   28.385  ?   ?       ?      ? 
1 1 1   14    1   23 o  499.187   34.173  501.386   66.569  501.386   66.569   0.0000   0.0000  499.187   34.173  ?   ?       ?      ? 
1 1 1   14    1   24 o  335.224   48.549  236.852   41.326  230.894   43.928  282.719  121.883  338.092   33.295  332.355   91.211 5.736786 97.09794 
1 1 1   14    1   29 o  212.788   31.766   93.254   26.378   0.0000   0.0000   93.254   26.378  ?   ?   212.788   31.766      ?      ? 
1 1 1   14    2    0 o  677.271   28.900  913.942   76.367  896.150  106.732  932.605  109.313  670.549   40.788  683.993   40.953 -13.44458 57.79984 
1 1 1   14    2    1 o  525.863   22.523  543.646   43.475  555.282   75.941  537.973   53.025  528.898   36.794  522.828   25.989 6.070679 45.04649 
1 1 1   14    2    2 o  448.066   17.360  394.582   30.346  389.118   42.336  400.356   43.521  444.900   24.384  451.233   24.715 -6.332977 34.71951 
1 1 1   14    2    3 o  608.566   19.349  729.331   45.950  731.445   65.011  727.222   64.956  609.452   27.335  607.679   27.391 1.773254 38.69711 
1 1 1   14    2    4 o  616.153   22.737  728.190   51.252  690.109   61.739  812.611   91.923  592.170   26.717  640.136   36.798 -47.96643 45.47377 
1 1 1   14    2    5 o  358.512   22.755  253.098   31.386  199.512   42.945  314.536   45.985  317.548   34.656  399.475   29.498 -81.92624 45.50985 
1 1 1   14    2    6 o  790.136   25.853  1257.52   78.083  1373.79  103.816  1106.06  118.486  834.316   31.886  745.956   40.703 88.36005 51.70513 
1 1 1   14    2    7 o  1135.94   33.630  2621.38  146.483  2932.91  198.331  2247.49  217.279  1214.49   41.847  1057.39   52.656 157.1010 67.25973 
1 1 1   14    2    8 o  632.240   23.255  802.130   56.125  976.806   78.604  620.446   80.165  704.526   28.590  559.954   36.686 144.5712 46.51073 
1 1 1   14    2    9 f  692.928   23.563  966.243   62.426  1111.37   84.988  796.197   91.995  751.504   28.980  634.351   37.162 117.1526 47.12595 
1 1 1   14    2   10 o  414.419   49.052  448.598   42.129  471.173   44.481  251.922  131.292  490.082   23.258  338.756   95.307 151.3257 98.10356 
1 1 1   14    2   11 o  286.931   35.925  249.083   24.438  276.524   26.269   72.557   66.627  375.855   17.910  198.006   69.582 177.8493 71.85047 
1 1 1   14    2   12 o  931.077   45.996  1727.83  167.122  1727.83  167.122   0.0000   0.0000  931.077   45.996  ?   ?       ?      ? 
1 1 1   14    2   14 o  627.135  121.243  909.683  285.987  909.683  285.987   0.0000   0.0000  627.135  121.243  ?   ?       ?      ? 
1 1 1   14    2   16 o  510.623  106.486  593.392  205.318  593.392  205.318   0.0000   0.0000  510.623  106.486  ?   ?       ?      ? 
1 1 1   14    2   17 o  565.000   37.182  633.719   81.982  633.719   81.982   0.0000   0.0000  565.000   37.182  ?   ?       ?      ? 
1 1 1   14    2   18 o  537.854   36.010  574.130   75.582  574.130   75.582   0.0000   0.0000  537.854   36.010  ?   ?       ?      ? 
1 1 1   14    2   19 o  130.661   31.847   35.126   16.091   35.126   16.091   0.0000   0.0000  130.661   31.847  ?   ?       ?      ? 
1 1 1   14    2   20 o  474.560   34.368  447.853   63.646  447.853   63.646   0.0000   0.0000  474.560   34.368  ?   ?       ?      ? 
1 1 1   14    2   21 o  590.622   36.699  698.182   84.585  698.182   84.585   0.0000   0.0000  590.622   36.699  ?   ?       ?      ? 
1 1 1   14    2   22 o  342.274   31.838  233.872   42.526  233.872   42.526   0.0000   0.0000  342.274   31.838  ?   ?       ?      ? 
1 1 1   14    2   23 o  474.328   34.496  453.232   63.852  453.232   63.852   0.0000   0.0000  474.328   34.496  ?   ?       ?      ? 
1 1 1   14    2   24 o  371.283  115.503  408.511  185.156  408.511  185.156   0.0000   0.0000  371.283  115.503  ?   ?       ?      ? 
1 1 1   14    2   25 o  212.980   96.325   41.067  171.337   41.067  171.337   0.0000   0.0000  212.980   96.325  ?   ?       ?      ? 
1 1 1   14    2   26 o  261.163   47.836  149.255   35.240  146.380   37.272  173.495  108.223  267.111   35.757  255.214   88.738 11.89638 95.67110 
1 1 1   14    2   27 f  338.724  110.070  367.707  166.591   0.0000   0.0000  367.707  166.591  ?   ?   338.724  110.070      ?      ? 
1 1 1   14    2   28 o  174.916   44.133   58.504   25.409   57.788   26.389   67.608   94.145  162.555   41.466  187.276   77.919 -24.72098 88.26553 
1 1 1   14    2   29 o  200.892   69.837  102.247   67.028  102.247   67.028   0.0000   0.0000  200.892   69.837  ?   ?       ?      ? 
1 1 1   14    2   30 o  164.720   39.347   64.119   24.767   68.160   25.961   23.213   82.601  175.687   38.893  153.753   68.410 21.93408 78.69352 
1 1 1   14    2   31 o  160.558   68.574   47.661   76.050   0.0000   0.0000   47.661   76.050  ?   ?   160.558   68.574      ?      ? 
1 1 1   14    2   32 o  153.523   38.505   55.251   23.995   60.143   24.986  -2.7700   86.053  163.808   39.538  143.239   66.085 20.56912 77.00963 
1 1 1   14    2   33 o  207.377   42.588  120.385   32.191  126.268   33.673   57.937  109.707  243.033   35.505  171.721   77.424 71.31245 85.17683 
1 1 1   14    3    0 o  235.264   16.340  108.650   14.993  103.583   20.947  113.974   21.469  229.624   23.376  240.903   22.837 -11.27924 32.67997 
1 1 1   14    3    1 o  336.089   23.332  221.888   30.601  221.888   30.601   0.0000   0.0000  336.089   23.332  ?   ?       ?      ? 
1 1 1   14    3    2 o  747.544   40.434  1112.24  117.954   0.0000   0.0000  1112.24  117.954  ?   ?   747.544   40.434      ?      ? 
1 1 1   14    3    3 o  501.549   21.410  498.949   40.382  506.746   50.971  485.806   66.180  507.600   25.732  495.499   34.226 12.10175 42.81957 
1 1 1   14    3    4 o  591.949   22.578  708.359   50.875  832.618   69.375  563.780   74.832  650.395   27.333  533.504   35.944 116.8912 45.15578 
1 1 1   14    3    5 o  475.069   20.786  442.780   36.908  438.063   45.900  451.408   62.081  472.158   24.911  477.980   33.283 -5.822601 41.57277 
1 1 1   14    3    6 o  265.450   21.029  138.820   21.781  141.699   30.941  135.993   30.666  268.192   29.564  262.708   29.913 5.484436 42.05717 
1 1 1   14    3    7 o  751.594   25.185  1135.89   72.589  1297.28   99.211  949.952  106.486  811.153   31.342  692.035   39.431 119.1182 50.36956 
1 1 1   14    3    8 o  969.566   30.217  1904.73  112.001  2148.15  151.083  1607.77  166.878  1041.85   37.160  897.279   47.659 144.5759 60.43356 
1 1 1   14    3    9 o  535.429   25.907  563.168   54.131  563.168   54.131   0.0000   0.0000  535.429   25.907  ?   ?       ?      ? 
1 1 1   14    3   10 o  367.143   46.222  315.728   43.687  330.934   47.338  228.413  113.434  410.044   29.583  324.242   87.583 85.80270 92.44474 
1 1 1   14    3   11 o  157.071   28.519   57.889   15.264   64.291   16.582   22.353   39.069  181.020   23.473  133.122   51.985 47.89821 57.03896 
1 1 1   14    3   12 o  548.320   58.050  763.531   76.684  817.791   83.388  466.203  195.199  643.773   33.192  452.867  111.255 190.9059 116.1004 
1 1 1   14    3   13 o  145.965   37.946   23.704   33.028   65.174   43.209 -34.5774   51.224  179.778   55.776  112.153   51.465 67.62521 75.89175 
1 1 1   14    3   14 o  339.635   85.670  252.399  113.533  252.399  113.533   0.0000   0.0000  339.635   85.670  ?   ?       ?      ? 
1 1 1   14    3   15 o  295.671   80.180  189.700   94.847  189.700   94.847   0.0000   0.0000  295.671   80.180  ?   ?       ?      ? 
1 1 1   14    3   16 o  170.146   58.873   54.205   47.608   54.205   47.608   0.0000   0.0000  170.146   58.873  ?   ?       ?      ? 
1 1 1   14    3   17 o  627.260  123.585  933.232  291.753  933.232  291.753   0.0000   0.0000  627.260  123.585  ?   ?       ?      ? 
1 1 1   14    3   18 o  352.461   39.102  247.367   53.783  247.367   53.783   0.0000   0.0000  352.461   39.102  ?   ?       ?      ? 
1 1 1   14    3   19 o  166.505   44.578   57.593   29.542   57.593   29.542   0.0000   0.0000  166.505   44.578  ?   ?       ?      ? 
1 1 1   14    3   20 o  378.507   35.311  285.376   52.157  285.376   52.157   0.0000   0.0000  378.507   35.311  ?   ?       ?      ? 
1 1 1   14    3   21 o  240.452   34.104  115.407   32.001  115.407   32.001   0.0000   0.0000  240.452   34.104  ?   ?       ?      ? 
1 1 1   14    3   22 o  295.255   86.391  206.761  105.870  206.761  105.870   0.0000   0.0000  295.255   86.391  ?   ?       ?      ? 
1 1 1   14    3   23 o  124.934   54.571  -2.3895   50.340  -2.3895   50.340   0.0000   0.0000  124.934   54.571  ?   ?       ?      ? 
1 1 1   14    3   24 o  179.909   47.989   70.348   34.313   70.348   34.313   0.0000   0.0000  179.909   47.989  ?   ?       ?      ? 
1 1 1   14    3   25 o  156.889   39.675   45.181   25.493   42.694   28.104   56.730   60.561  142.489   45.099  171.289   65.288 -28.80020 79.34979 
1 1 1   14    3   26 o  322.411   49.990  267.422   41.772  273.975   44.364  216.187  124.039  367.653   30.921  277.169   95.079 90.48361 99.98035 
1 1 1   14    3   27 o  155.383   42.694   43.777   28.424   46.540   30.087   20.841   86.691  147.283   46.669  163.484   71.505 -16.20128 85.38723 
1 1 1   14    3   28 o  343.468  117.602  433.485  189.753   0.0000   0.0000  433.485  189.753  ?   ?   343.468  117.602      ?      ? 
1 1 1   14    3   30 o  288.484   51.045  267.513   50.023  280.456   52.689  149.260  159.264  363.123   37.182  213.846   95.077 149.2768 102.0891 
1 1 1   14    3   31 o  431.630   64.792  672.595   84.233  695.676   90.442  521.596  231.330  565.144   41.009  298.116  122.923 267.0281 129.5835 
1 1 1   14    3   32 o  332.393   53.582  375.441   58.781  396.464   63.046  235.639  162.580  429.608   37.606  235.180  100.349 194.4280 107.1640 
1 1 1   14    3   33 o  163.517   74.783   37.236  106.912   0.0000   0.0000   37.236  106.912  ?   ?   163.517   74.783      ?      ? 
1 1 1   14    4    0 o  397.801   19.951  315.905   29.623  327.035   37.231  296.702   48.903  408.067   23.380  387.534   32.336 20.53214 39.90300 
1 1 1   14    4    1 o  416.801   24.317  341.355   39.552  341.355   39.552   0.0000   0.0000  416.801   24.317  ?   ?       ?      ? 
1 1 1   14    4    2 f  737.923   25.080  1080.71   68.901  1086.66   85.657  1069.79  115.975  742.456   29.564  733.390   40.523 9.065491 50.16070 
1 1 1   14    4    3 o  604.073   36.359  722.928   85.709   0.0000   0.0000  722.928   85.709  ?   ?   604.073   36.359      ?      ? 
1 1 1   14    4    4 o  697.462   24.220  978.251   64.069  1043.59   83.195  883.018  100.436  727.805   29.292  667.119   38.579 60.68518 48.43936 
1 1 1   14    4    5 o  800.932   27.176  1303.75   82.550  1458.30  109.218  1097.80  126.075  859.498   32.562  742.365   43.519 117.1334 54.35268 
1 1 1   14    4    6 o  520.047   26.158  526.665   52.601  635.486   80.030  443.898   69.795  566.731   36.186  473.363   37.783 93.36777 52.31635 
1 1 1   14    4    7 o  826.935   42.625  1359.52  137.553   0.0000   0.0000  1359.52  137.553  ?   ?   826.935   42.625      ?      ? 
1 1 1   14    4    8 o  582.654   25.643  668.011   58.163  729.991   85.653  614.976   79.232  607.643   36.121  557.666   36.408 49.97778 51.28625 
1 1 1   14    4    9 o  322.015   41.327  265.122   36.901  294.295   40.937  138.666   85.231  386.947   27.110  257.083   78.081 129.8636 82.65320 
1 1 1   14    4   10 o  960.330   46.032  1837.55  172.511  1837.55  172.511   0.0000   0.0000  960.330   46.032  ?   ?       ?      ? 
1 1 1   14    4   11 o  566.688   34.964  634.343   77.320  634.343   77.320   0.0000   0.0000  566.688   34.964  ?   ?       ?      ? 
1 1 1   14    4   12 o  656.074   37.616  852.238   96.307  852.238   96.307   0.0000   0.0000  656.074   37.616  ?   ?       ?      ? 
1 1 1   14    4   13 o  117.390   31.056   21.512   19.614   34.356   21.646 -37.4000   46.359  130.890   39.259  103.891   48.132 26.99888 62.11283 
1 1 1   14    4   14 o  648.683   37.366  834.151   94.589  834.151   94.589   0.0000   0.0000  648.683   37.366  ?   ?       ?      ? 
1 1 1   14    4   15 o  129.153   48.492   25.431   33.112   25.431   33.112   0.0000   0.0000  129.153   48.492  ?   ?       ?      ? 
1 1 1   14    4   16 o  458.122  100.205  473.818  174.157  473.818  174.157   0.0000   0.0000  458.122  100.205  ?   ?       ?      ? 
1 1 1   14    4   17 o  681.429  132.855  1128.94  340.598  1128.94  340.598   0.0000   0.0000  681.429  132.855  ?   ?       ?      ? 
1 1 1   14    4   18 o  622.717  124.288  933.151  291.451  933.151  291.451   0.0000   0.0000  622.717  124.288  ?   ?       ?      ? 
1 1 1   14    4   19 o  748.697  152.972  1496.20  431.843  1496.20  431.843   0.0000   0.0000  748.697  152.972  ?   ?       ?      ? 
1 1 1   14    4   20 o  286.195   80.319  183.676   93.367  183.676   93.367   0.0000   0.0000  286.195   80.319  ?   ?       ?      ? 
1 1 1   14    4   21 o  388.501   38.199  303.409   57.914  303.409   57.914   0.0000   0.0000  388.501   38.199  ?   ?       ?      ? 
1 1 1   14    4   22 o  160.109   54.314   51.259   40.471   51.259   40.471   0.0000   0.0000  160.109   54.314  ?   ?       ?      ? 
1 1 1   14    4   23 o  343.536   39.500  240.790   52.955  240.790   52.955   0.0000   0.0000  343.536   39.500  ?   ?       ?      ? 
1 1 1   14    4   24 o  429.851   30.462  371.995   51.098  371.995   51.098   0.0000   0.0000  429.851   30.462  ?   ?       ?      ? 
1 1 1   14    4   25 o   74.832   24.617 -20.2818   14.301  -1.1149   29.529 -26.1551   16.346   96.726   42.029   52.938   25.642 43.78774 49.23400 
1 1 1   14    4   26 o  304.152   45.714  248.108   55.332  337.482   70.089  100.262   90.147  399.670   44.938  208.635   79.622 191.0347 91.42845 
1 1 1   14    4   27 o  274.183   94.879  217.988  123.650   0.0000   0.0000  217.988  123.650  ?   ?   274.183   94.879      ?      ? 
1 1 1   14    4   28 o  201.369   47.122   90.789   36.373   90.789   36.373   0.0000   0.0000  201.369   47.122  ?   ?       ?      ? 
1 1 1   14    4   29 o  279.220   38.332  165.291   41.767  165.291   41.767   0.0000   0.0000  279.220   38.332  ?   ?       ?      ? 
1 1 1   14    4   30 o  135.276   41.864   23.855   28.106   26.658   29.256  -9.7196  101.252  119.632   45.430  150.920   70.331 -31.28794 83.72779 
1 1 1   14    4   31 o  140.281   46.211   9.8110   27.444   6.9324   28.122   67.330  125.708   98.611   41.898  181.950   82.379 -83.33874 92.42163 
1 1 1   14    4   32 o  198.932   46.639  105.874   34.483  109.627   35.566   47.079  140.777  220.269   42.919  177.596   82.818 42.67326 93.27862 
1 1 1   14    4   33 o  251.095   52.754  178.476   46.831  174.704   49.530  210.277  143.827  277.468   45.743  224.723   95.077 52.74530 105.5082 
1 1 1   14    5    0 o  318.920   19.882  197.051   23.444  190.569   28.651  210.185   40.782  311.533   23.567  326.306   32.026 -14.77274 39.76310 
1 1 1   14    5    1 o  534.411   26.156  561.581   54.548  561.581   54.548   0.0000   0.0000  534.411   26.156  ?   ?       ?      ? 
1 1 1   14    5    2 o  278.385   39.727  195.385   25.283  204.553   26.627  111.371   80.608  322.971   21.126  233.799   76.594 89.17165 79.45429 
1 1 1   14    5    3 o  497.512   22.711  496.098   41.366  511.677   50.882  465.731   71.040  510.245   25.554  484.779   37.552 25.46539 45.42151 
1 1 1   14    5    4 o  375.932   21.297  273.842   30.980  319.405   47.601  240.362   40.805  402.586   30.299  349.279   29.937 53.30771 42.59389 
1 1 1   14    5    5 o  512.931   24.473  500.807   48.009  624.034   77.899  425.336   60.964  561.763   35.534  464.099   33.661 97.66388 48.94653 
1 1 1   14    5    6 o  577.763   25.474  658.979   57.384  696.417   83.054  624.780   79.378  593.473   35.861  562.053   36.190 31.41998 50.94878 
1 1 1   14    5    7 o  623.796   84.462  887.116  198.117  871.465  279.258  902.975  281.110  617.570  120.200  630.023  118.692 -12.45361 168.9249 
1 1 1   14    5    8 o  353.758   61.454  272.090   84.225  279.375  120.080  265.035  118.167  358.483   86.769  349.034   87.049 9.448822 122.9084 
1 1 1   14    5    9 o  721.272   62.839  1016.45  104.332  997.804  109.581  1197.21  341.194  709.581   39.573  732.963  119.286 -23.38202 125.6786 
1 1 1   14    5   10 o  753.796   40.615  1127.08  119.472  1127.08  119.472   0.0000   0.0000  753.796   40.615  ?   ?       ?      ? 
1 1 1   14    5   11 o  269.553   39.212  160.579   30.569  166.831   33.488  129.329   74.868  291.109   29.478  247.996   72.673 43.11305 78.42406 
1 1 1   14    5   12 o  183.606   42.065   66.466   33.175   68.343   40.329   62.538   58.346  182.510   53.296  184.702   65.096 -2.192184 84.13065 
1 1 1   14    5   13 o  425.842   35.493  262.551   36.255  240.518   37.801  515.400  128.054  349.595   27.708  502.090   65.355 -152.4952 70.98634 
1 1 1   14    5   14 o  358.125   50.831  393.902   53.126  447.345   57.429   76.826  139.885  476.168   30.906  240.083   96.850 236.0842 101.6615 
1 1 1   14    5   15 o  325.646   84.421  232.893  108.172  232.893  108.172   0.0000   0.0000  325.646   84.421  ?   ?       ?      ? 
1 1 1   14    5   16 o  149.472   40.176   45.995   23.939   45.995   23.939   0.0000   0.0000  149.472   40.176  ?   ?       ?      ? 
1 1 1   14    5   17 o  798.780   33.698  1263.59  105.041  1263.59  105.041   0.0000   0.0000  798.780   33.698  ?   ?       ?      ? 
1 1 1   14    5   18 o  128.751   48.429   25.431   33.054   25.431   33.054   0.0000   0.0000  128.751   48.429  ?   ?       ?      ? 
1 1 1   14    5   19 o  221.094   69.513  103.131   66.864  103.131   66.864   0.0000   0.0000  221.094   69.513  ?   ?       ?      ? 
1 1 1   14    5   20 o  1108.00   58.741  2548.72  253.986  2548.72  253.986   0.0000   0.0000  1108.00   58.741  ?   ?       ?      ? 
1 1 1   14    5   21 o  568.544   45.371  659.170  100.664  659.170  100.664   0.0000   0.0000  568.544   45.371  ?   ?       ?      ? 
1 1 1   14    5   22 o  200.069   48.956   62.063   39.855   41.556   44.708  141.434   87.957  152.658   56.537  247.480   79.940 -94.82217 97.91225 
1 1 1   14    5   23 o  328.345   48.993  233.927   36.016  231.671   37.636  258.459  124.088  340.389   28.333  316.301   93.799 24.08780 97.98505 
1 1 1   14    5   24 o  613.402   29.079  756.287   69.608  756.287   69.608   0.0000   0.0000  613.402   29.079  ?   ?       ?      ? 
1 1 1   14    5   25 o  237.203   38.361  153.743   29.239  170.037   31.875   67.295   73.420  290.721   28.096  183.686   71.393 107.0351 76.72260 
1 1 1   14    5   26 o  200.866   40.307   99.600   32.942  113.804   38.023   56.852   65.962  229.316   44.091  172.416   67.488 56.89957 80.61405 
1 1 1   14    5   27 o  176.077   62.594   68.678   54.060   68.678   54.060   0.0000   0.0000  176.077   62.594  ?   ?       ?      ? 
1 1 1   14    5   28 o  196.199   45.951   86.099   34.564   86.099   34.564   0.0000   0.0000  196.199   45.951  ?   ?       ?      ? 
1 1 1   14    5   29 o  150.621   40.913   47.722   30.128   54.484   32.589   7.9517   79.034  154.808   48.506  146.434   65.898 8.374588 81.82533 
1 1 1   14    5   30 o  234.279   46.276  155.507   35.824  160.594   37.250   92.851  130.733  275.978   34.587  192.579   85.847 83.39905 92.55256 
1 1 1   14    5   31 o  153.396   46.622   40.110   30.176   41.763   30.876   4.9259  142.458  137.497   47.421  169.296   80.286 -31.79932 93.24490 
1 1 1   14    5   32 o  244.939   47.386  179.866   39.432  185.742   41.069  110.512  141.100  295.126   35.659  194.751   87.807 100.3752 94.77176 
1 1 1   14    5   33 o  115.653   47.859   19.045   35.242   19.045   35.242   0.0000   0.0000  115.653   47.859  ?   ?       ?      ? 
1 1 1   14    6    0 o  450.553   20.988  405.906   35.227  421.541   44.215  378.733   58.289  463.299   24.456  437.808   34.117 25.49088 41.97665 
1 1 1   14    6    1 o  477.927   25.377  448.793   47.330  448.793   47.330   0.0000   0.0000  477.927   25.377  ?   ?       ?      ? 
1 1 1   14    6    2 o  341.622   19.771  229.100   25.123  227.889   31.106  231.372   42.608  340.753   23.392  342.491   31.880 -1.738373 39.54130 
1 1 1   14    6    3 o  743.164   40.364  1096.30  117.062  1096.30  117.062   0.0000   0.0000  743.164   40.364  ?   ?       ?      ? 
1 1 1   14    6    4 f  393.510   22.481  305.334   34.517  305.207   48.407  305.465   49.234  393.461   31.526  393.559   32.057 -0.9768677E-01 44.96159 
1 1 1   14    6    5 o  306.409   23.439  185.441   27.979  197.892   39.596  173.026   39.541  316.804   32.028  296.013   34.230 20.79071 46.87751 
1 1 1   14    6    6 o  273.055   42.395  135.363   35.210  125.457   38.534  185.473   86.667  251.615   39.244  294.495   75.161 -42.88080 84.78939 
1 1 1   14    6    7 o  931.041   69.388  1313.80  133.316  1231.02  137.392  2646.99  551.372  786.452   44.767  1075.63  131.356 -289.1765 138.7751 
1 1 1   14    6    8 o  172.027   25.741   61.829   18.922  110.617   26.565   11.582   26.959  237.126   28.707  106.927   42.734 130.1992 51.48115 
1 1 1   14    6    9 o  156.454   39.150   43.415   29.868   45.896   42.958   41.094   41.556  159.401   55.880  153.508   54.847 5.893188 78.29928 
1 1 1   14    6   10 o  277.235   42.689  144.634   35.138  137.860   38.286  180.818   88.490  263.949   37.169  290.520   76.862 -26.57092 85.37800 
1 1 1   14    6   11 o  627.359   51.880  593.492   75.251  549.286   78.254  1136.50  274.264  526.554   38.083  728.164   96.518 -201.6099 103.7596 
1 1 1   14    6   12 o  383.076   48.417  264.216   50.593  247.424   54.364  372.810  138.248  353.076   39.456  413.075   88.431 -59.99954 96.83398 
1 1 1   14    6   13 o  331.990   47.398  286.171   43.001  310.747   46.656  147.478  110.835  397.005   30.114  266.976   89.886 130.0292 94.79680 
1 1 1   14    6   14 o  129.290   39.983   9.9932   27.143   18.121   28.493 -69.7117   89.228  115.834   44.627  142.747   66.355 -26.91276 79.96598 
1 1 1   14    6   15 o   75.295   32.214  -0.5263   16.836  -0.5263   16.836   0.0000   0.0000   75.295   32.214  ?   ?       ?      ? 
1 1 1   14    6   16 o  305.110   82.807  204.414  101.116  204.414  101.116   0.0000   0.0000  305.110   82.807  ?   ?       ?      ? 
1 1 1   14    6   17 o  199.222   52.212   83.218   41.083   83.218   41.083   0.0000   0.0000  199.222   52.212  ?   ?       ?      ? 
1 1 1   14    6   18 o  252.855   28.862  126.302   28.479  126.302   28.479   0.0000   0.0000  252.855   28.862  ?   ?       ?      ? 
1 1 1   14    6   19 o  727.390   39.694  1059.99  112.675  1059.99  112.675   0.0000   0.0000  727.390   39.694  ?   ?       ?      ? 
1 1 1   14    6   20 o  157.745   30.654   51.074   18.190   51.074   18.190   0.0000   0.0000  157.745   30.654  ?   ?       ?      ? 
1 1 1   14    6   21 o  344.877   56.871  239.226   37.900  235.238   38.915  312.657  166.993  343.830   29.003  345.924  109.982 -2.093994 113.7424 
1 1 1   14    6   22 o  283.133   49.464  163.734   30.269  161.520   31.222  198.328  123.415  284.598   28.112  281.668   94.850 2.929230 98.92869 
1 1 1   14    6   23 o  145.498   45.041  -1.7432   49.790 -32.3502   71.937   26.402   68.984  132.736   60.939  158.260   66.340 -25.52339 90.08118 
1 1 1   14    6   24 o  145.650   35.938   45.005   20.301   45.005   20.301   0.0000   0.0000  145.650   35.938  ?   ?       ?      ? 
1 1 1   14    6   25 o  223.757   37.409  143.184   27.892  159.675   29.948   35.311   76.594  281.893   27.224  165.620   69.689 116.2725 74.81779 
1 1 1   14    6   27 o  267.618   29.709  145.557   31.027  145.557   31.027   0.0000   0.0000  267.618   29.709  ?   ?       ?      ? 
1 1 1   14    6   28 o  159.147   38.778   56.801   24.436   61.101   25.864   21.063   74.564  166.692   40.222  151.601   66.312 15.09131 77.55656 
1 1 1   14    6   29 o  235.967   40.739  171.685   33.752  188.042   35.842   43.564  100.309  301.713   30.441  170.220   75.578 131.4937 81.47863 
1 1 1   14    6   30 o  151.831   37.388   56.292   27.965   69.171   30.464 -12.7005   70.509  173.592   44.701  130.071   59.943 43.52011 74.77522 
1 1 1   14    6   31 o  142.462   39.151   43.157   30.714   56.223   33.315 -30.8452   79.287  155.289   49.098  129.636   60.997 25.65289 78.30251 
1 1 1   14    6   32 o  262.179   43.909  239.696   57.019  299.091   63.351 -13.6693  130.844  365.579   44.406  158.780   75.763 206.7989 87.81722 
1 1 1   14    7    0 o  298.557   24.950  177.563   28.808  153.566   41.317  200.267   40.188  278.463   38.021  318.651   32.318 -40.18842 49.90066 
1 1 1   14    7    1 o  797.925   30.915  1262.59   95.773  1226.76  128.360  1307.59  143.846  785.841   41.856  810.008   45.507 -24.16724 61.82903 
1 1 1   14    7    2 o  358.464   23.709  253.880   33.123  267.333   46.690  240.250   46.997  368.158   32.498  348.770   34.530 19.38782 47.41818 
1 1 1   14    7    3 o  722.256   28.292  1034.25   79.730  1022.98  111.624  1045.98  113.922  718.297   39.822  726.214   40.199 -7.917603 56.58356 
1 1 1   14    7    4 o  293.228   42.392  146.808   34.968  134.270   37.589  227.443   95.328  260.529   36.972  325.926   76.297 -65.39719 84.78305 
1 1 1   14    7    5 o  469.212   45.334  378.865   55.186  358.087   58.463  548.765  167.177  425.757   35.188  512.667   83.562 -86.91031 90.66858 
1 1 1   14    7    6 o  314.092   41.293  156.691   36.328  138.119   38.951  280.865  100.717  264.183   37.781  364.002   73.436 -99.81943 82.58524 
1 1 1   14    7    7 o  347.806   60.964  262.758   82.372  250.938  116.237  274.683  116.749  339.641   87.239  355.971   85.183 -16.33005 121.9290 
1 1 1   14    7    8 o  1073.63   81.969  1787.44  160.244  1698.79  164.010  3651.60  752.127  923.505   45.509  1223.75  157.495 -300.2475 163.9378 
1 1 1   14    7    9 o  395.767   35.671  309.606   55.092  309.606   55.092   0.0000   0.0000  395.767   35.671  ?   ?       ?      ? 
1 1 1   14    7   10 o  501.468  104.156  561.668  197.163   0.0000   0.0000  561.668  197.163  ?   ?   501.468  104.156      ?      ? 
1 1 1   14    7   11 o  222.306   75.998   96.854   79.242   96.854   79.242   0.0000   0.0000  222.306   75.998  ?   ?       ?      ? 
1 1 1   14    7   12 o  249.703   37.355  158.318   33.940  199.729   40.154   54.718   63.511  318.042   32.353  181.363   67.342 136.6788 74.71084 
1 1 1   14    7   13 o   89.554   29.010  -8.7528   15.185  -8.6268   16.252  -9.6193   42.617   65.837   29.731  113.272   49.824 -47.43504 58.02039 
1 1 1   14    7   14 o  394.934   71.666  357.654  110.827  380.499  146.771  327.351  169.044  413.252   93.229  376.616  108.869 36.63580 143.3323 
1 1 1   14    7   15 o  626.560  123.744  931.534  291.829  931.534  291.829   0.0000   0.0000  626.560  123.744  ?   ?       ?      ? 
1 1 1   14    7   16 o  552.238  113.801  712.901  237.091  712.901  237.091   0.0000   0.0000  552.238  113.801  ?   ?       ?      ? 
1 1 1   14    7   17 o  265.465   79.423  153.197   88.675  153.197   88.675   0.0000   0.0000  265.465   79.423  ?   ?       ?      ? 
1 1 1   14    7   18 o  324.976   90.788  241.086  119.575  241.086  119.575   0.0000   0.0000  324.976   90.788  ?   ?       ?      ? 
1 1 1   14    7   20 o  198.488   30.992   78.471   24.006   78.471   24.006   0.0000   0.0000  198.488   30.992  ?   ?       ?      ? 
1 1 1   14    7   22 o  188.299   44.281   68.975   21.633   70.723   21.992   16.715  120.247  187.854   29.999  188.745   83.327 -0.8908081 88.56233 
1 1 1   14    7   23 o  328.298   28.732  216.342   36.810  216.342   36.810   0.0000   0.0000  328.298   28.732  ?   ?       ?      ? 
1 1 1   14    7   24 o  273.519   29.059  150.742   31.017  150.742   31.017   0.0000   0.0000  273.519   29.059  ?   ?       ?      ? 
1 1 1   14    7   25 o  322.522   29.716  210.326   37.401  210.326   37.401   0.0000   0.0000  322.522   29.716  ?   ?       ?      ? 
1 1 1   14    7   26 o  293.307   48.144  225.419   41.247  233.855   44.305  170.559  112.981  337.885   33.601  248.729   90.235 89.15685 96.28801 
1 1 1   14    7   27 o   95.105   30.183   5.2130   14.422   8.5205   14.936 -40.3871   55.457   81.300   32.024  108.910   51.171 -27.60963 60.36596 
1 1 1   14    7   28 o  152.520   36.285   54.042   21.928   59.429   23.073   3.7758   70.481  165.346   36.716  139.695   62.597 25.65036 72.56995 
1 1 1   14    7   29 o  160.670   37.353   64.145   24.467   71.001   25.788   2.2819   77.461  179.700   37.963  141.639   64.341 38.06076 74.70540 
1 1 1   14    7   30 o  112.795   35.007   12.924   23.074   21.069   24.143 -73.0509   78.438  108.548   41.258  117.042   56.566 -8.493797 70.01382 
1 1 1   14    7   31 o  163.504   74.180   33.989  102.555   0.0000   0.0000   33.989  102.555  ?   ?   163.504   74.180      ?      ? 
1 1 1   14    7   32 o  123.899   60.488 -90.7768   95.957   0.0000   0.0000 -90.7768   95.957  ?   ?   123.899   60.488      ?      ? 
1 1 1   14    8    0 o  240.147   26.108  113.279   24.372  101.148   33.037  127.763   36.101  226.092   37.445  254.201   36.392 -28.10931 52.21585 
1 1 1   14    8    1 o  493.999   25.454  480.866   48.993  453.112   67.118  512.520   71.678  478.802   35.921  509.196   36.072 -30.39410 50.90726 
1 1 1   14    8    2 o  415.046   47.569  301.407   50.401  283.624   53.541  439.813  149.370  378.780   36.222  451.311   87.973 -72.53058 95.13799 
1 1 1   14    8    3 o  361.841   44.478  327.670   45.470  364.537   51.004  184.884  100.376  430.256   30.377  293.425   83.608 136.8310 88.95513 
1 1 1   14    8    4 o  447.987   50.645  402.448   57.051  397.216   61.013  438.857  160.958  448.479   34.861  447.494   95.102 0.9848328 101.2902 
1 1 1   14    8    5 o  375.321   38.912  202.967   41.217  174.060   43.866  420.891  120.442  296.555   37.904  454.086   67.969 -157.5316 77.82338 
1 1 1   14    8    6 o  538.288   49.027  467.311   65.521  435.241   68.802  779.675  214.726  468.978   37.594  607.598   90.560 -138.6198 98.05328 
1 1 1   14    8    7 o  194.861   31.689   90.161   23.684  113.055   28.246   35.947   43.466  239.602   30.208  150.119   55.717 89.48349 63.37897 
1 1 1   14    8    8 o  677.255   52.306  700.981   82.107  650.722   85.439  1308.08  296.946  573.182   38.197  781.327   97.390 -208.1454 104.6124 
1 1 1   14    8    9 o  576.527   56.222  667.700   79.303  657.655   84.496  741.970  229.764  576.239   37.575  576.815  105.979 -0.5764160 112.4431 
1 1 1   14    8   10 o  487.444   34.737  469.791   66.076  469.791   66.076   0.0000   0.0000  487.444   34.737  ?   ?       ?      ? 
1 1 1   14    8   11 o  201.484   34.817   97.763   28.634  125.587   33.612   24.149   54.673  252.020   34.177  150.949   60.669 101.0714 69.63320 
1 1 1   14    8   12 o  697.539   81.507  1024.15  221.869  1024.15  221.869   0.0000   0.0000  697.539   81.507  ?   ?       ?      ? 
1 1 1   14    8   13 o  580.867   71.596  699.700  162.292  699.700  162.292   0.0000   0.0000  580.867   71.596  ?   ?       ?      ? 
1 1 1   14    8   14 f  202.635   50.300   76.993   39.898   81.477   42.881   48.091  108.876  197.505   54.059  207.765   84.842 -10.25974 100.6006 
1 1 1   14    8   15 o  417.724   57.451  355.226   93.653  355.226   93.653   0.0000   0.0000  417.724   57.451  ?   ?       ?      ? 
1 1 1   14    8   16 o  340.732   55.603  236.338   73.933  236.338   73.933   0.0000   0.0000  340.732   55.603  ?   ?       ?      ? 
1 1 1   14    8   17 o  134.502   46.895   33.070   30.234   33.070   30.234   0.0000   0.0000  134.502   46.895  ?   ?       ?      ? 
1 1 1   14    8   18 o  359.634   59.518  268.021   83.529  268.021   83.529   0.0000   0.0000  359.634   59.518  ?   ?       ?      ? 
1 1 1   14    8   19 o  463.518   68.345  459.203  123.625  459.203  123.625   0.0000   0.0000  463.518   68.345  ?   ?       ?      ? 
1 1 1   14    8   20 o  147.312   52.664   40.241   38.320   40.241   38.320   0.0000   0.0000  147.312   52.664  ?   ?       ?      ? 
1 1 1   14    8   21 f  361.364   31.404  261.838   44.286  261.838   44.286   0.0000   0.0000  361.364   31.404  ?   ?       ?      ? 
1 1 1   14    8   22 f  231.247   29.569  107.320   26.684  107.320   26.684   0.0000   0.0000  231.247   29.569  ?   ?       ?      ? 
1 1 1   14    8   23 o  259.552   47.332  186.713   35.326  195.910   36.631   64.519  133.516  311.691   30.116  207.414   89.747 104.2764 94.66493 
1 1 1   14    8   24 o  202.410   41.316  105.404   25.407  111.470   26.045 -13.7927  115.457  235.255   28.370  169.566   77.610 65.68904 82.63242 
1 1 1   14    8   25 o  638.511   30.279  826.305   75.447  826.305   75.447   0.0000   0.0000  638.511   30.279  ?   ?       ?      ? 
1 1 1   14    8   26 o  128.312   60.309 -48.5540   77.148   0.0000   0.0000 -48.5540   77.148  ?   ?   128.312   60.309      ?      ? 
1 1 1   14    8   27 o  196.835   39.000  102.592   26.529  110.263   27.758   21.667   90.157  232.009   30.659  161.661   71.721 70.34836 77.99917 
1 1 1   14    8   28 o  142.833   33.909   49.530   20.754   57.800   21.576 -52.8496   75.914  163.431   34.891  122.235   58.154 41.19630 67.81756 
1 1 1   14    8   29 o  148.588   40.274   40.950   22.938   39.847   24.074   51.816   75.566  134.101   41.637  163.075   68.951 -28.97452 80.54714 
1 1 1   14    8   30 o  166.876   55.357   8.9989   63.603  135.784  165.320 -13.0277   68.907  205.335   93.553  128.416   59.208 76.91829 110.7142 
1 1 1   14    8   31 o  160.777   50.751   22.923   49.039   2.5124   53.814  122.869  119.082  122.497   54.807  199.058   85.433 -76.56181 101.5019 
1 1 1   14    8   32 o  342.613   59.226  379.978   52.698  376.375   54.394  435.061  212.705  421.301   33.084  263.925  113.739 157.3759 118.4527 
1 1 1   14    9    0 o  123.777   31.820   25.404   18.879   27.134   22.553   21.354   34.512  120.665   40.547  126.888   49.051 -6.223541 63.64013 
1 1 1   14    9    1 o  412.963   31.692  336.094   51.073  336.094   51.073   0.0000   0.0000  412.963   31.692  ?   ?       ?      ? 
1 1 1   14    9    2 o  330.833   33.944  216.022   43.823  216.022   43.823   0.0000   0.0000  330.833   33.944  ?   ?       ?      ? 
1 1 1   14    9    3 o  466.571   49.429  406.035   59.229  390.276   63.248  518.357  168.850  444.275   36.480  488.868   91.880 -44.59305 98.85734 
1 1 1   14    9    4 o  785.283   60.736  1317.58  128.899  1329.60  139.805  1249.44  332.899  817.607   43.817  752.960  113.295 64.64667 121.4727 
1 1 1   14    9    5 o  538.684   55.602  579.033   72.820  569.734   77.475  649.523  213.305  536.635   36.995  540.733  104.869 -4.097473 111.2035 
1 1 1   14    9    6 o  239.450   38.436  126.518   30.862  135.273   35.003   95.945   65.411  261.719   34.272  217.181   68.810 44.53787 76.87267 
1 1 1   14    9    7 o  290.791   39.310  208.561   36.444  241.790   42.161  110.349   72.481  350.266   30.844  231.316   72.317 118.9500 78.61990 
1 1 1   14    9    8 o  280.435   37.465  135.862   34.290  112.592   38.611  222.724   74.598  234.188   43.861  326.681   60.752 -92.49300 74.92998 
1 1 1   14    9    9 o  255.477   40.086  140.507   36.060  149.040   42.351  118.015   68.761  273.978   39.611  236.977   69.704 37.00046 80.17293 
1 1 1   14    9   10 o  509.362   75.094  586.956  144.423  576.463  202.840  597.745  205.681  504.503  106.379  514.221  106.020 -9.718475 150.1889 
1 1 1   14    9   11 f  253.403   55.656  132.328   66.006   54.005   97.641  198.241   89.572  203.965   81.391  302.841   75.933 -98.87601 111.3116 
1 1 1   14    9   12 o  353.651   56.243  282.517   74.589  318.186   92.320  215.462  126.580  395.220   59.858  312.082   95.237 83.13828 112.4856 
1 1 1   14    9   13 o  292.480   55.171  194.743   62.035  214.765   73.416  144.765  115.994  319.625   61.087  265.336   91.890 54.28912 110.3425 
1 1 1   14    9   14 o  127.506   41.819   5.2372   18.641   6.8141   18.933 -44.6639  106.510   88.058   35.593  166.953   75.687 -78.89458 83.63870 
1 1 1   14    9   15 f  290.953   62.834  138.640   51.898  125.840   54.483  263.995  170.504  243.698   58.108  338.209  111.426 -94.51147 125.6671 
1 1 1   14    9   16 f  268.330   60.978  153.653   62.402  153.653   62.402   0.0000   0.0000  268.330   60.978  ?   ?       ?      ? 
1 1 1   14    9   17 o  441.885   59.556  403.889  102.699  403.889  102.699   0.0000   0.0000  441.885   59.556  ?   ?       ?      ? 
1 1 1   14    9   18 o  360.066   66.557  281.421   90.076  281.421   90.076   0.0000   0.0000  360.066   66.557  ?   ?       ?      ? 
1 1 1   14    9   19 o  337.984   67.471  252.354   85.874  252.354   85.874   0.0000   0.0000  337.984   67.471  ?   ?       ?      ? 
1 1 1   14    9   20 o  343.362   80.008  254.342  109.574  177.551  124.608  516.223  230.113  270.587   95.154  416.138  128.650 -145.5507 160.0164 
1 1 1   14    9   21 o  214.764   62.721   55.407   48.921   45.450   50.770  184.688  182.935  158.910   59.967  270.619  110.180 -111.7092 125.4420 
1 1 1   14    9   22 o  176.924   47.407   50.486   18.266   51.104   18.404   9.5881  149.676  156.623   31.207  197.225   89.532 -40.60158 94.81463 
1 1 1   14    9   23 o  327.259   56.356  193.658   35.937  184.406   36.839  375.566  163.352  301.728   31.287  352.791  108.282 -51.06320 112.7118 
1 1 1   14    9   24 o  190.997   43.649   76.283   21.339   77.861   21.680   27.332  120.744  196.557   28.264  185.438   82.595 11.11845 87.29705 
1 1 1   14    9   25 o  451.165   71.870  585.313   95.564  582.056  103.577  603.954  247.788  516.952   51.343  385.378  134.258 131.5740 143.7400 
1 1 1   14    9   26 f  219.563   92.391  123.438  134.633   0.0000   0.0000  123.438  134.633  ?   ?   219.563   92.391      ?      ? 
1 1 1   14    9   27 o  339.511   80.200  419.349  130.569  670.504  208.321  256.852  167.566  419.252  120.759  259.771  105.572 159.4812 160.4001 
1 1 1   14    9   28 o  137.151   42.613   17.018   41.456   22.507   49.062   3.3174   77.514  132.029   55.676  142.274   64.526 -10.24442 85.22618 
1 1 1   14    9   29 o  273.619   47.804  240.313   57.414  287.219   65.954   93.549  116.663  357.072   47.332  190.167   83.069 166.9045 95.60738 
1 1 1   14    9   30 o  173.212   36.090   83.266   25.206   92.935   26.104 -50.1212   96.955  210.852   31.724  135.572   64.835 75.28006 72.18063 
1 1 1   14    9   31 o  210.750   38.363  144.664   32.755  160.799   34.026 -59.3855  121.001  276.918   31.487  144.582   69.968 132.3363 76.72594 
1 1 1   14   10    0 o  220.720   48.002   98.110   45.535  121.659   68.031   78.998   61.288  240.681   68.918  200.759   66.836 39.92142 96.00402 
1 1 1   14   10    1 f  783.038   73.284  1334.93  130.659  1336.09  138.545  1325.60  392.882  819.652   43.314  746.424  140.023 73.22839 146.5688 
1 1 1   14   10    2 o  398.856   48.641  297.542   51.748  284.714   55.560  381.534  142.163  379.249   37.541  418.463   89.748 -39.21411 97.28287 
1 1 1   14   10    3 f  505.475   37.255  505.722   73.488  505.722   73.488   0.0000   0.0000  505.475   37.255  ?   ?       ?      ? 
1 1 1   14   10    4 o  188.046   42.174   72.975   30.186   72.975   30.186   0.0000   0.0000  188.046   42.174  ?   ?       ?      ? 
1 1 1   14   10    5 o  262.435   34.961  136.139   35.805  136.139   35.805   0.0000   0.0000  262.435   34.961  ?   ?       ?      ? 
1 1 1   14   10    6 o  102.984   28.567   12.633   16.685   13.823   22.324   11.128   25.114  102.415   39.489  103.553   41.292 -1.138397 57.13446 
1 1 1   14   10    7 o  734.753   61.875  1080.86  113.561  1061.98  120.691  1226.63  335.355  730.471   42.339  739.034  116.281 -8.562927 123.7492 
1 1 1   14   10    8 o  264.878   46.766  140.765   42.785  133.701   48.922  163.739   88.224  253.754   51.170  276.002   78.293 -22.24788 93.53196 
1 1 1   14   10    9 o  365.209   68.251  281.960   93.694  281.960   93.694   0.0000   0.0000  365.209   68.251  ?   ?       ?      ? 
1 1 1   14   10   10 o  229.025   47.805  113.032   46.243  132.401   58.402   80.479   75.713  250.254   60.475  207.795   74.055 42.45920 95.61027 
1 1 1   14   10   11 o  169.874   43.320   51.710   37.455   70.303   44.433   6.0657   69.618  185.326   56.397  154.421   65.773 30.90494 86.64070 
1 1 1   14   10   12 o  407.642   68.682  377.087  109.175  466.315  154.684  288.519  154.112  460.153   89.363  355.131  104.323 105.0218 137.3643 
1 1 1   14   10   13 o  255.682   58.444  137.878   64.718  141.579   79.726  130.727  110.821  256.748   74.924  254.615   89.716 2.133606 116.8871 
1 1 1   14   10   14 o  532.326   83.759  684.520  175.953  891.253  247.020  471.601  250.689  633.292   99.953  431.361  134.432 201.9313 167.5187 
1 1 1   14   10   15 o  339.926   74.645  246.094   95.304  227.091  107.360  316.736  206.995  318.524   84.849  361.327  122.833 -42.80307 149.2893 
1 1 1   14   10   16 o  246.473   61.170  130.604   58.558  130.604   58.558   0.0000   0.0000  246.473   61.170  ?   ?       ?      ? 
1 1 1   14   10   17 o  231.406   63.577  116.309   59.178  116.309   59.178   0.0000   0.0000  231.406   63.577  ?   ?       ?      ? 
1 1 1   14   10   18 o   73.955   32.414  -3.7285   17.896  -3.7285   17.896   0.0000   0.0000   73.955   32.414  ?   ?       ?      ? 
1 1 1   14   10   19 o  211.460   65.267   98.401   59.252   98.401   59.252   0.0000   0.0000  211.460   65.267  ?   ?       ?      ? 
1 1 1   14   10   20 o  252.084   66.005  140.656   66.648  143.462   70.023  113.633  217.318  249.324   69.412  254.844  112.289 -5.520523 132.0105 
1 1 1   14   10   21 o  244.986   72.427  118.658  102.692   88.039  118.528  210.825  205.646  214.481   88.160  275.490  114.936 -61.00951 144.8537 
1 1 1   14   10   22 o  252.295   65.504  163.928   77.055  169.973   84.559  134.330  187.102  261.561   77.400  243.029  105.698 18.53159 131.0071 
1 1 1   14   10   23 f   95.086   44.992 -42.8386   44.247 -42.8386   44.247   0.0000   0.0000   95.086   44.992  ?   ?       ?      ? 
1 1 1   14   10   24 o  235.546   64.912  146.667   87.524  171.415  110.813  105.625  142.706  250.984   89.575  220.109   93.970 30.87546 129.8231 
1 1 1   14   10   25 o  187.240   54.406   65.895   50.999   65.184   55.054   70.190  135.393  172.791   62.943  201.688   88.758 -28.89685 108.8112 
1 1 1   14   10   26 o  171.695   50.741   33.025   65.788  109.867   82.903 -97.6587  108.115  206.451   76.884  136.940   66.237 69.51125 101.4816 
1 1 1   14   10   27 o  276.202   51.899  147.555   29.448  140.128   30.166  298.033  135.781  260.979   29.620  291.425   99.482 -30.44604 103.7982 
1 1 1   14   10   28 o  188.752   42.137   82.337   24.260   83.318   24.951   65.367  103.815  199.840   31.994  177.663   77.964 22.17659 84.27364 
1 1 1   14   10   29 o  315.299   50.787  315.194   41.030  323.336   42.677  215.727  149.166  396.701   27.567  233.897   97.762 162.8038 101.5742 
1 1 1   14   10   30 o  190.031   39.378   99.607   27.137  106.279   28.095   6.7856  104.793  225.163   31.974  154.898   71.973 70.26512 78.75527 
1 1 1   14   10   31 o   94.376   33.450  -6.0478   15.632  -3.1757   15.813 -129.3593  103.616   67.894   30.083  120.857   59.754 -52.96322 66.89970 
1 1 1   14   11    0 o  122.222   31.356   24.593   19.564   31.829   25.903   14.985   29.850  129.961   43.456  114.483   45.216 15.47766 62.71293 
1 1 1   14   11    1 o  292.547   56.393  184.205   66.656  154.839   93.828  214.126   94.709  269.867   81.915  315.228   77.528 -45.36069 112.7862 
1 1 1   14   11    2 f  157.224   57.463   41.494   45.940   41.494   45.940   0.0000   0.0000  157.224   57.463  ?   ?       ?      ? 
1 1 1   14   11    3 o  165.527   40.463   47.154   29.492   40.598   34.955   63.346   54.939  147.707   50.476  183.347   63.255 -35.64061 80.92561 
1 1 1   14   11    4 o  390.482   45.325  339.873   52.354  356.941   58.956  276.209  113.865  424.717   35.571  356.247   83.380 68.46982 90.65050 
1 1 1   14   11    5 o  539.781   40.705  579.194   85.742  579.194   85.742   0.0000   0.0000  539.781   40.705  ?   ?       ?      ? 
1 1 1   14   11    6 o  553.145   50.029  571.737   77.536  546.957   83.598  724.265  207.405  524.422   40.849  581.868   91.340 -57.44562 100.0586 
1 1 1   14   11    7 o  259.860   75.773  144.126   81.571  144.126   81.571   0.0000   0.0000  259.860   75.773  ?   ?       ?      ? 
1 1 1   14   11    8 o  815.356   94.131  1435.41  299.510  1435.41  299.510   0.0000   0.0000  815.356   94.131  ?   ?       ?      ? 
1 1 1   14   11    9 o  546.106   74.615  621.713  159.015  621.713  159.015   0.0000   0.0000  546.106   74.615  ?   ?       ?      ? 
1 1 1   14   11   10 o  189.891   60.174   73.033   50.020   73.033   50.020   0.0000   0.0000  189.891   60.174  ?   ?       ?      ? 
1 1 1   14   11   11 o   85.925   35.980   2.7287   20.257   2.7287   20.257   0.0000   0.0000   85.925   35.980  ?   ?       ?      ? 
1 1 1   14   11   12 o  726.410   80.607  1118.95  228.500  1118.95  228.500   0.0000   0.0000  726.410   80.607  ?   ?       ?      ? 
1 1 1   14   11   13 o  192.425   59.200   76.357   48.793   76.357   48.793   0.0000   0.0000  192.425   59.200  ?   ?       ?      ? 
1 1 1   14   11   14 o  292.992   60.827  182.611   67.272  182.611   67.272   0.0000   0.0000  292.992   60.827  ?   ?       ?      ? 
1 1 1   14   11   15 o  451.852   60.695  423.187  107.023  423.187  107.023   0.0000   0.0000  451.852   60.695  ?   ?       ?      ? 
1 1 1   14   11   16 o  175.661   57.297   62.813   45.127   62.813   45.127   0.0000   0.0000  175.661   57.297  ?   ?       ?      ? 
1 1 1   14   11   17 o  221.614   64.431  107.423   59.057  107.423   59.057   0.0000   0.0000  221.614   64.431  ?   ?       ?      ? 
1 1 1   14   11   18 o  216.272   65.789  103.339   60.473  103.339   60.473   0.0000   0.0000  216.272   65.789  ?   ?       ?      ? 
1 1 1   14   11   19 o  308.473   70.961  219.279   83.644  219.279   83.644   0.0000   0.0000  308.473   70.961  ?   ?       ?      ? 
1 1 1   14   11   20 o  355.737   80.451  279.765  117.279  156.745  134.552  668.767  239.264  251.582   96.963  459.892  128.404 -208.3098 160.9019 
1 1 1   14   11   21 o  289.542   66.303  251.637   92.011  287.862  101.423   83.173  218.715  343.098   77.571  235.986  107.551 107.1116 132.6070 
1 1 1   14   11   22 o  356.178   85.836  388.539  143.869  232.705  178.119  681.012  244.019  274.755  109.831  437.600  131.940 -162.8449 171.6714 
1 1 1   14   11   23 o  165.181   66.613   46.114   66.151   46.114   66.151   0.0000   0.0000  165.181   66.613  ?   ?       ?      ? 
1 1 1   14   11   24 o  291.437   75.319  283.414  115.911  325.244  149.761  220.920  183.052  321.784  104.349  261.091  108.642 60.69305 150.6381 
1 1 1   14   11   25 o  395.249   64.582  439.786   59.349  437.690   61.664  466.148  218.653  459.975   34.353  330.523  124.511 129.4523 129.1632 
1 1 1   14   11   26 o  218.381   92.780  143.829  137.891   0.0000   0.0000  143.829  137.891  ?   ?   218.381   92.780      ?      ? 
1 1 1   14   11   27 f  128.566   36.187   30.215   16.394   32.918   16.643 -57.9682   95.060  123.249   33.655  133.882   64.073 -10.63272 72.37395 
1 1 1   14   11   28 o  145.974   40.304   39.374   18.550   40.492   18.840   3.9207  106.089  135.834   35.240  156.114   72.497 -20.27972 80.60838 
1 1 1   14   11   29 o  217.470   53.733  144.649   56.657  155.415   63.000   99.109  129.565  243.084   65.107  191.855   85.498 51.22931 107.4656 
1 1 1   14   11   30 o  101.576   33.031   9.6855   14.364   12.760   14.536 -118.1605   93.740   86.031   32.163  117.122   57.703 -31.09113 66.06120 
1 1 1   14   12    0 o  134.646   37.457   17.046   30.524 -11.1413   44.685   41.706   41.796  115.315   50.858  153.976   55.006 -38.66092 74.91481 
1 1 1   14   12    1 o  382.359   46.078  298.884   52.282  295.752   58.036  312.373  120.429  386.026   38.526  378.692   83.717 7.334198 92.15653 
1 1 1   14   12    2 o  326.206   38.954  211.289   49.588  211.289   49.588   0.0000   0.0000  326.206   38.954  ?   ?       ?      ? 
1 1 1   14   12    3 o  810.683  109.865  1662.25  334.919  1673.82  474.938  1650.80  472.366  813.731  155.227  807.635  155.518 6.096680 219.7307 
1 1 1   14   12    4 o  334.446   60.776  245.863   79.772  240.668  113.193  250.990  112.441  330.746   86.658  338.146   85.236 -7.399506 121.5511 
1 1 1   14   12    5 o  532.900   54.457  583.177   82.076  574.587   90.095  625.093  199.019  536.742   43.013  529.057  100.062 7.684875 108.9148 
1 1 1   14   12    6 o  496.735   74.038  559.270  139.016  514.137  193.532  607.381  199.816  473.912  107.159  519.558  102.193 -45.64542 148.0759 
1 1 1   14   12    7 o  720.501   98.489  1272.95  266.897  1255.96  376.096  1290.19  378.816  714.976  139.805  726.026  138.762 -11.05054 196.9785 
1 1 1   14   12    8 o  678.208   75.924  1021.66  184.995  994.024  227.498  1075.61  317.846  683.206   85.329  673.210  125.606 9.996216 151.8482 
1 1 1   14   12    9 o  483.072   63.216  502.583  110.980  488.801  137.166  528.706  188.843  484.460   72.553  481.683  103.544 2.776947 126.4328 
1 1 1   14   12   10 o  615.087   74.581  889.363  162.991  988.793  205.832  722.187  266.895  685.650   76.927  544.524  127.795 141.1256 149.1624 
1 1 1   14   12   11 o  233.931   54.138  114.186   54.929  121.603   65.712   96.981  100.079  238.704   67.520  229.158   84.645 9.545258 108.2757 
1 1 1   14   12   12 o  192.517   48.060   49.859   34.534   37.935   37.428  118.130   89.558  146.017   52.064  239.016   80.798 -92.99861 96.11965 
1 1 1   14   12   13 o  278.165   59.194  178.651   65.770  195.779   74.371  117.186  140.887  301.800   65.063  254.530   98.906 47.26984 118.3871 
1 1 1   14   12   14 o  296.472   72.178  164.353   83.660  135.648   92.783  289.159  193.466  250.111   82.187  342.833  118.677 -92.72150 144.3568 
1 1 1   14   12   15 o  132.917   49.056   29.610   33.601   29.610   33.601   0.0000   0.0000  132.917   49.056  ?   ?       ?      ? 
1 1 1   14   12   16 o  444.506  110.076  503.926  189.940  503.926  189.940   0.0000   0.0000  444.506  110.076  ?   ?       ?      ? 
1 1 1   14   12   17 o  330.728   67.865  244.674   84.652  244.674   84.652   0.0000   0.0000  330.728   67.865  ?   ?       ?      ? 
1 1 1   14   12   18 o  382.158   72.419  334.814  104.048  334.814  104.048   0.0000   0.0000  382.158   72.419  ?   ?       ?      ? 
1 1 1   14   12   19 o  151.209   57.406   40.268   46.705   40.268   46.705   0.0000   0.0000  151.209   57.406  ?   ?       ?      ? 
1 1 1   14   12   20 o  264.247   68.531  180.443   80.297  184.252   85.966  154.389  224.833  273.255   77.205  255.240  113.248 18.01491 137.0611 
1 1 1   14   12   21 o  249.097   68.389  156.523   81.703  157.583   88.050  149.952  219.178  249.447   79.920  248.747  111.001 0.7000275 136.7785 
1 1 1   14   12   22 o  250.050   66.380  169.464   81.933  179.081   89.636  120.618  202.019  263.876   80.057  236.224  105.905 27.65134 132.7598 
1 1 1   14   12   23 o  224.317   82.253  128.285   94.237  128.285   94.237   0.0000   0.0000  224.317   82.253  ?   ?       ?      ? 
1 1 1   14   12   24 o  206.433   62.444   86.492   78.030   73.869   88.411  130.974  165.962  187.737   76.534  225.129   98.690 -37.39272 124.8888 
1 1 1   14   12   25 o  174.408   56.091   29.188   78.154   27.123   93.166   34.094  143.578  163.672   72.746  185.145   85.399 -21.47285 112.1829 
1 1 1   14   12   26 o  156.719   51.061 -16.9932   69.826 -73.5609   87.775   80.506  115.236  125.295   60.376  188.143   82.362 -62.84704 102.1214 
1 1 1   14   12   27 o  338.940   51.678  418.283   57.096  447.223   60.382  173.904  175.465  461.292   33.543  216.588   97.761 244.7040 103.3550 
1 1 1   14   12   28 o  156.831   40.573   55.096   22.732   58.519   23.162 -34.4814  118.499  162.644   37.289  151.019   72.071 11.62482 81.14589 
1 1 1   14   12   29 o  220.615   40.490  157.530   33.488  170.512   34.604 -33.9403  132.897  285.661   31.042  155.568   74.794 130.0928 80.97961 
1 1 1   14   12   30 o  167.363   44.502   56.022   22.604   55.189   23.022   78.334  119.127  156.602   38.047  178.125   80.462 -21.52249 89.00376 
1 1 1   14   13    0 o  255.796   41.081  145.988   39.805  171.909   49.280   97.330   67.518  293.527   43.022  218.066   69.997 75.46150 82.16127 
1 1 1   14   13    1 o  366.885   44.351  324.532   54.239  403.903   66.976  173.300   92.452  451.001   38.055  282.769   80.125 168.2320 88.70242 
1 1 1   14   13    2 f  1205.59   61.694  2968.38  290.252  2968.38  290.252   0.0000   0.0000  1205.59   61.694  ?   ?       ?      ? 
1 1 1   14   13    3 o  237.007   53.015   86.933   61.175   6.3578   78.628  210.521   97.378  163.303   69.736  310.711   79.871 -147.4088 106.0303 
1 1 1   14   13    4 o  619.638  122.336  905.342  285.319   0.0000   0.0000  905.342  285.319  ?   ?   619.638  122.336      ?      ? 
1 1 1   14   13    5 o  147.574   38.834   32.311   30.951   11.244   44.502   52.050   43.075  129.969   53.781  165.178   56.034 -35.20947 77.66743 
1 1 1   14   13    6 o  590.087   83.961  817.435  186.647  812.591  263.847  822.286  264.070  588.013  119.066  592.162  118.411 -4.149597 167.9228 
1 1 1   14   13    7 o  472.231   61.126  485.444  106.638  492.648  135.951  473.924  171.919  486.611   71.593  457.851   99.096 28.75925 122.2518 
1 1 1   14   13    8 o  695.656   79.223  1099.58  197.313  1082.67  242.890  1132.41  338.350  709.586   87.715  681.725  131.951 27.86133 158.4454 
1 1 1   14   13    9 o  309.942   56.390  216.033   68.325  238.808   87.132  179.667  110.103  333.747   69.172  286.137   89.077 47.60953 112.7809 
1 1 1   14   13   10 o  194.283   47.003   75.910   42.484   90.927   50.111   37.535   80.105  207.782   59.029  180.784   73.163 26.99799 94.00675 
1 1 1   14   13   11 o  436.936   64.905  430.582  103.092  438.463  126.095  414.694  179.032  456.866   70.726  417.006  108.851 39.85995 129.8104 
1 1 1   14   13   12 o  251.633   56.849  144.449   61.879  166.852   70.223   66.633  130.877  277.520   65.835  225.746   92.698 51.77315 113.6975 
1 1 1   14   13   13 o  316.167   65.191  224.054   74.347  221.728   82.745  233.799  169.369  318.504   68.599  313.830  110.876 4.674683 130.3811 
1 1 1   14   13   14 o  303.785   67.420  219.464   74.490  228.087   79.372  155.769  215.720  323.421   65.141  284.148  118.062 39.27255 134.8410 
1 1 1   14   13   15 o  282.079   76.429  162.516   91.585  153.408   98.322  222.223  251.736  258.467   84.589  305.690  127.319 -47.22299 152.8575 
1 1 1   14   13   16 o  223.136   78.876  108.546   85.725  108.546   85.725   0.0000   0.0000  223.136   78.876  ?   ?       ?      ? 
1 1 1   14   13   17 o  124.758   49.487   20.566   35.899   20.566   35.899   0.0000   0.0000  124.758   49.487  ?   ?       ?      ? 
1 1 1   14   13   18 o  152.297   58.081   40.613   47.947   40.613   47.947   0.0000   0.0000  152.297   58.081  ?   ?       ?      ? 
1 1 1   14   13   19 f  188.406   81.413   41.623  109.575   41.623  109.575   0.0000   0.0000  188.406   81.413  ?   ?       ?      ? 
1 1 1   14   13   20 f  363.338   91.505  441.940  153.754  338.377  184.832  674.607  277.040  320.026  115.520  406.650  141.945 -86.62393 183.0109 
1 1 1   14   13   21 o  177.321   54.081   44.926   59.692   63.145   64.349 -67.4449  159.814  176.352   67.279  178.291   84.692 -1.939423 108.1630 
1 1 1   14   13   22 o  163.272   51.483   19.349   60.638   46.980   65.645 -141.3030  158.290  164.712   66.381  161.831   78.713 2.881424 102.9667 
1 1 1   14   13   23 f  213.134   68.225   61.882  128.529  180.711  175.286 -76.3025  189.024  242.986  103.951  183.281   88.389 59.70490 136.4497 
1 1 1   14   13   24 o  192.048   63.536   29.868  118.753   27.201  170.244   32.396  165.730  192.036   90.045  192.059   89.662 -0.2304077E-01 127.0726 
1 1 1   14   13   25 o  214.745   93.729  143.899  148.257   0.0000   0.0000  143.899  148.257  ?   ?   214.745   93.729      ?      ? 
1 1 1   14   13   26 o  146.754   50.165 -65.3227   81.182 -12.5652  137.644 -93.4642  100.529  164.913   78.413  128.596   62.589 36.31731 100.3298 
1 1 1   14   13   27 f  315.204   48.697  368.232   53.483  396.675   56.203   95.434  174.053  434.561   33.142  195.846   91.581 238.7151 97.39330 
1 1 1   14   13   28 o  236.421   45.276  166.585   34.021  172.218   35.105   79.570  137.973  287.073   31.336  185.769   84.958 101.3044 90.55241 
1 1 1   14   13   29 o  230.041   34.091  112.542   30.604  112.542   30.604   0.0000   0.0000  230.041   34.091  ?   ?       ?      ? 
1 1 1   14   14    0 o  570.544   59.340  728.490   94.834  746.634  105.044  648.536  220.514  611.042   44.052  530.046  110.202 80.99561 118.6805 
1 1 1   14   14    1 o  234.248   45.605  118.580   43.127  133.241   55.627   96.489   68.281  251.265   57.919  217.231   70.461 34.03394 91.21065 
1 1 1   14   14    2 o  349.989   52.327  247.439   71.468  247.439   71.468   0.0000   0.0000  349.989   52.327  ?   ?       ?      ? 
1 1 1   14   14    3 o  429.259   69.223  416.263  113.392  440.388  163.053  393.669  157.796  441.974   97.182  416.545   98.603 25.42969 138.4450 
1 1 1   14   14    4 o  423.330   68.989  405.510  111.645  421.273  159.563  390.392  156.270  431.862   97.044  414.797   98.082 17.06488 137.9773 
1 1 1   14   14    5 o  205.184   48.463   84.084   45.683   76.012   65.111   91.910   64.112  198.559   68.842  211.808   68.232 -13.24883 96.92638 
1 1 1   14   14    6 o  163.766   42.710   45.212   36.077   50.326   49.318   39.325   52.913  167.173   59.748  160.359   61.049 6.814514 85.42086 
1 1 1   14   14    7 o  715.783  160.458  1384.43  437.123  1384.43  437.123   0.0000   0.0000  715.783  160.458  ?   ?       ?      ? 
1 1 1   14   14    8 o  299.082   67.243  187.872   83.503  243.331  149.168  162.561  100.773  325.447  103.997  272.717   85.272 52.73032 134.4870 
1 1 1   14   14    9 o  249.128   62.145  129.031   77.376   60.895  132.590  164.217   95.283  225.224   92.985  273.032   82.474 -47.80762 124.2910 
1 1 1   14   14   10 o  414.674  115.313  424.372  193.371  424.372  193.371   0.0000   0.0000  414.674  115.313  ?   ?       ?      ? 
1 1 1   14   14   11 o  184.064   53.729   12.306   69.259 -86.4801  104.409   89.932   92.553  149.792   70.326  218.336   81.250 -68.54401 107.4584 
1 1 1   14   14   12 o  578.459  132.666  896.886  293.099  896.886  293.099   0.0000   0.0000  578.459  132.666  ?   ?       ?      ? 
1 1 1   14   14   13 o  502.253   88.661  662.295  170.959  571.678  220.449  799.021  270.786  463.844  120.647  540.662  129.951 -76.81857 177.3218 
1 1 1   14   14   14 o  270.300   72.689  149.234   86.967  136.530   95.407  211.656  211.480  245.408   83.392  295.191  119.082 -49.78294 145.3780 
1 1 1   14   14   15 o  249.605   71.408  123.535   85.117  124.491   91.005  116.850  240.549  234.281   81.378  264.930  117.363 -30.64905 142.8158 
1 1 1   14   14   16 o  151.747   63.463   22.471   62.911   22.471   62.911   0.0000   0.0000  151.747   63.463  ?   ?       ?      ? 
1 1 1   14   14   17 o  222.713   84.559  112.271  101.342  112.271  101.342   0.0000   0.0000  222.713   84.559  ?   ?       ?      ? 
1 1 1   14   14   18 o  283.800  102.783  231.379  146.497  231.379  146.497   0.0000   0.0000  283.800  102.783  ?   ?       ?      ? 
1 1 1   14   14   19 o  161.733   72.805  -2.7090   96.554  -2.7090   96.554   0.0000   0.0000  161.733   72.805  ?   ?       ?      ? 
1 1 1   14   14   20 o  162.638   53.811 -56.5598   88.217   11.051  110.678 -174.3405  146.080  174.425   78.281  150.851   73.855 23.57434 107.6218 
1 1 1   14   14   21 o  202.074   63.486   50.956   95.691  114.089  161.604   16.868  118.747  225.073   98.057  179.074   80.663 45.99907 126.9714 
1 1 1   14   14   22 o  220.270  101.255   92.823  199.467   92.823  199.467   0.0000   0.0000  220.270  101.255  ?   ?       ?      ? 
1 1 1   14   14   23 o  132.818   60.578 -12.6788   69.552 -12.6788   69.552   0.0000   0.0000  132.818   60.578  ?   ?       ?      ? 
1 1 1   14   14   24 o  221.642   84.789  147.434  102.379  147.434  102.379   0.0000   0.0000  221.642   84.789  ?   ?       ?      ? 
1 1 1   14   14   25 o  108.393   51.809 -52.8035   61.732 -52.8035   61.732   0.0000   0.0000  108.393   51.809  ?   ?       ?      ? 
1 1 1   14   14   26 o  175.060   82.016   30.686  140.733   30.686  140.733   0.0000   0.0000  175.060   82.016  ?   ?       ?      ? 
1 1 1   14   14   27 o  273.269  106.688  334.038  164.523  334.038  164.523   0.0000   0.0000  273.269  106.688  ?   ?       ?      ? 
1 1 1   14   14   28 o  191.036   34.569   79.412   24.822   79.412   24.822   0.0000   0.0000  191.036   34.569  ?   ?       ?      ? 
1 1 1   14   15    0 o  194.778   44.333   77.124   38.678   89.959   52.711   62.152   56.931  207.207   61.052  182.349   64.298 24.85805 88.66526 
1 1 1   14   15    1 o  425.860   56.771  389.458   80.280  387.494   92.960  395.220  159.227  436.636   54.557  415.083   99.576 21.55292 113.5424 
1 1 1   14   15    2 o  310.181   86.466  214.358  108.586  214.358  108.586   0.0000   0.0000  310.181   86.466  ?   ?       ?      ? 
1 1 1   14   15    3 o  290.743   57.671  185.446   69.187  143.678   96.980  228.738   98.733  259.111   83.966  322.375   79.080 -63.26358 115.3427 
1 1 1   14   15    4 f  334.167   62.482  251.192   82.867  232.733  117.018  269.760  117.365  321.419   89.818  346.915   86.882 -25.49554 124.9633 
1 1 1   14   15    5 o  175.382   44.930   54.334   39.906   41.505   56.369   67.224   56.501  164.520   62.920  186.245   64.154 -21.72481 89.85920 
1 1 1   14   15    6 o  169.202   44.041   49.539   38.365   56.803   51.721   40.652   57.207  174.068   61.295  164.336   63.256 9.731094 88.08179 
1 1 1   14   15    7 o  603.607   84.421  793.088  198.856  793.088  198.856   0.0000   0.0000  603.607   84.421  ?   ?       ?      ? 
1 1 1   14   15    8 o  332.311   58.748  257.815   76.468  296.925   98.584  198.740  121.159  369.567   70.936  295.055   93.668 74.51199 117.4969 
1 1 1   14   15    9 o  312.881   61.150  237.368   80.630  291.949  101.266  142.834  133.272  363.849   73.843  261.914   97.492 101.9346 122.3006 
1 1 1   14   15   10 o  243.621   57.386  132.813   61.997  148.300   71.786   87.361  122.979  258.815   69.575  228.428   91.279 30.38690 114.7719 
1 1 1   14   15   11 o  420.001   69.128  407.169  103.252  377.429  122.298  480.975  192.660  407.847   79.698  432.155  112.973 -24.30820 138.2554 
1 1 1   14   15   12 o  639.312   84.022  1051.68  187.441  1029.59  225.402  1101.21  337.490  669.445   86.280  609.178  144.203 60.26703 168.0442 
1 1 1   14   15   13 o  250.344   60.563  149.487   65.827  164.867   71.569   65.014  167.726  269.829   67.995  230.860  100.240 38.96910 121.1253 
1 1 1   14   15   14 o  312.036   78.376  237.687  104.935  203.576  118.954  357.353  222.802  284.129   93.044  339.944  126.150 -55.81516 156.7511 
1 1 1   14   15   15 o  227.438   68.805   88.158   85.233   87.512   91.735   92.237  230.494  206.852   79.968  248.024  111.989 -41.17152 137.6096 
1 1 1   14   15   16 o  150.639   58.865   37.392   50.120   37.392   50.120   0.0000   0.0000  150.639   58.865  ?   ?       ?      ? 
1 1 1   14   15   17 o  215.612   85.534  103.046  107.251  103.046  107.251   0.0000   0.0000  215.612   85.534  ?   ?       ?      ? 
1 1 1   14   15   18 o  311.053  109.398  304.642  164.707  304.642  164.707   0.0000   0.0000  311.053  109.398  ?   ?       ?      ? 
1 1 1   14   15   19 f  157.987   62.490   43.283   57.090   43.283   57.090   0.0000   0.0000  157.987   62.490  ?   ?       ?      ? 
1 1 1   14   15   20 o  256.078   72.459  198.748  115.027  116.755  186.570  249.027  146.098  229.164  102.326  282.991  102.619 -53.82695 144.9181 
1 1 1   14   15   21 o  248.278   63.440  179.649   85.852  237.783  110.380   90.627  136.591  288.703   89.077  207.854   90.355 80.84929 126.8805 
1 1 1   14   15   22 o  159.607   70.402   24.497   85.654   24.497   85.654   0.0000   0.0000  159.607   70.402  ?   ?       ?      ? 
1 1 1   14   15   23 o  198.526   59.802  102.662   82.573  128.536   95.217   24.190  165.824  211.918   81.598  185.135   87.446 26.78311 119.6034 
1 1 1   14   15   24 o  147.671   47.385   12.544   56.827   30.758   66.024 -39.5106  111.617  147.544   63.477  147.798   70.371 -0.2535706 94.77000 
1 1 1   14   15   25 o  266.609   69.560  224.570   88.865  144.716  104.863  428.046  167.390  213.818   84.654  319.400  110.400 -105.5820 139.1199 
1 1 1   14   15   26 o  130.717   45.973 -169.3056   83.660 -50.2000  133.581 -246.1741  107.313  153.639   74.147  107.795   54.373 45.84332 91.94677 
1 1 1   14   15   27 o  171.808   53.097   65.520   66.480   75.763   80.632   43.777  117.480  174.204   72.264  169.412   77.814 4.792038 106.1935 
1 1 1   14   16    0 o  315.016   55.304  224.300   67.537  246.815   87.982  192.001  105.379  337.738   69.084  292.294   86.380 45.44400 110.6080 
1 1 1   14   16    1 o  236.953   54.595  119.101   57.719  119.694   86.698  118.629   77.354  238.218   79.502  235.688   74.846 2.529266 109.1900 
1 1 1   14   16    2 o  326.790   90.477  244.537  119.321  244.537  119.321   0.0000   0.0000  326.790   90.477  ?   ?       ?      ? 
1 1 1   14   16    3 o  312.041   62.077  221.711   79.106  197.857  112.056  245.410  111.691  295.329   89.491  328.754   86.054 -33.42462 124.1532 
1 1 1   14   16    4 o  714.262  153.666  1415.86  415.615  1415.86  415.615   0.0000   0.0000  714.262  153.666  ?   ?       ?      ? 
1 1 1   14   16    5 o  157.971   42.609   31.765   39.241   67.941   53.861  -9.1606   57.287  184.641   62.658  131.300   57.760 53.34132 85.21835 
1 1 1   14   16    6 o  571.366   75.085  792.699  157.591  851.747  202.798  702.691  250.382  621.214   83.655  521.519  124.712 99.69531 150.1702 
1 1 1   14   16    7 o  230.727   55.962  112.074   63.326  149.320   84.190   63.547   96.098  258.359   77.410  203.094   80.839 55.26437 111.9250 
1 1 1   14   16    8 o  256.349   59.581  147.891   71.277  187.428   96.041   99.413  106.348  285.509   81.924  227.189   86.535 58.31964 119.1626 
1 1 1   14   16    9 o  490.439  115.225  624.102  216.785  624.102  216.785   0.0000   0.0000  490.439  115.225  ?   ?       ?      ? 
1 1 1   14   16   10 o  454.593  131.852  601.947  247.579  601.947  247.579   0.0000   0.0000  454.593  131.852  ?   ?       ?      ? 
1 1 1   14   16   11 o  177.163   51.498   45.210   44.367   49.803   47.531   14.116  123.669  162.013   58.566  192.314   84.723 -30.30086 102.9951 
1 1 1   14   16   12 o  355.319   70.703  346.731   99.749  369.064  115.133  279.513  199.745  398.244   76.868  312.393  118.689 85.85022 141.4058 
1 1 1   14   16   13 o  374.610   83.520  371.910  128.573  276.831  153.535  595.105  235.239  315.440  105.796  433.781  129.265 -118.3414 167.0395 
1 1 1   14   16   14 o  275.439   76.157  159.706   94.942  118.660  104.465  354.545  227.601  226.806   85.915  324.073  125.771 -97.26671 152.3147 
1 1 1   14   16   15 o  209.443   63.355   74.028   57.263   75.992   58.923   40.645  242.952  186.535   65.442  232.350  108.501 -45.81461 126.7091 
1 1 1   14   16   16 o  231.434   86.726  133.158  105.811  133.158  105.811   0.0000   0.0000  231.434   86.726  ?   ?       ?      ? 
1 1 1   14   16   17 o  137.812   55.344   27.457   45.455   27.457   45.455   0.0000   0.0000  137.812   55.344  ?   ?       ?      ? 
1 1 1   14   16   18 o  318.959   83.671  266.274  105.441  266.274  105.441   0.0000   0.0000  318.959   83.671  ?   ?       ?      ? 
1 1 1   14   16   19 o  164.979   66.063   48.962   64.566   48.962   64.566   0.0000   0.0000  164.979   66.063  ?   ?       ?      ? 
1 1 1   14   16   20 o  187.227   54.651   71.360   61.261   75.829   71.827   59.431  117.345  184.228   70.889  190.227   83.198 -5.998932 109.3027 
1 1 1   14   16   21 o  215.997   59.606  128.871   79.579  182.086   99.591   34.881  132.356  249.431   85.199  182.564   83.383 66.86702 119.2125 
1 1 1   14   16   22 o  148.996   66.153   18.093   76.845   18.093   76.845   0.0000   0.0000  148.996   66.153  ?   ?       ?      ? 
1 1 1   14   16   23 o  161.675   51.412   34.455   62.642   47.310   70.624 -12.9654  135.645  158.892   66.891  164.458   78.093 -5.565109 102.8250 
1 1 1   14   16   24 o  167.948   51.599   46.821   68.897   96.884   80.524 -89.9614  133.101  189.327   74.427  146.569   71.486 42.75717 103.1974 
1 1 1   14   16   25 o  156.609   51.195   13.565   64.406   3.7121   74.256   43.490  129.411  138.558   62.962  174.660   80.743 -36.10240 102.3893 
1 1 1   14   16   26 o  175.045   58.723   31.573  104.342   71.167  170.633   7.9249  131.872  186.076   88.134  164.014   77.626 22.06104 117.4455 
1 1 1   14   17    0 o  246.433   55.355  118.850   61.321  204.595   98.911   65.319   78.152  298.781   82.237  194.086   74.120 104.6953 110.7105 
1 1 1   14   17    1 o  235.246   81.604  118.022   91.497  118.022   91.497   0.0000   0.0000  235.246   81.604  ?   ?       ?      ? 
1 1 1   14   17    2 o  454.378  110.358  517.093  193.738  517.093  193.738   0.0000   0.0000  454.378  110.358  ?   ?       ?      ? 
1 1 1   14   17    3 o  309.428   91.222  226.400  117.650  226.400  117.650   0.0000   0.0000  309.428   91.222  ?   ?       ?      ? 
1 1 1   14   17    4 o  789.571  106.497  1511.05  328.142  1511.05  328.142   0.0000   0.0000  789.571  106.497  ?   ?       ?      ? 
1 1 1   14   17    5 o  492.956   93.557  575.499  173.393  575.499  173.393   0.0000   0.0000  492.956   93.557  ?   ?       ?      ? 
1 1 1   14   17    6 o  243.883   58.504  134.708   67.369  157.024   85.987   99.234  108.412  261.785   78.184  225.980   87.053 35.80458 117.0086 
1 1 1   14   17    7 o  606.502   91.202  863.612  215.859  863.612  215.859   0.0000   0.0000  606.502   91.202  ?   ?       ?      ? 
1 1 1   14   17    8 o  459.027   72.754  557.548  128.007  635.166  162.963  432.501  206.844  529.438   78.876  388.615  122.275 140.8224 145.5077 
1 1 1   14   17    9 o  279.495   64.888  192.278   78.588  197.163   92.738  179.833  148.019  288.001   79.774  270.990  102.360 17.01175 129.7753 
1 1 1   14   17   10 o  192.074   53.922   66.755   58.733   89.419   66.212 -16.9114  127.218  202.499   69.466  181.650   82.493 20.84804 107.8449 
1 1 1   14   17   11 o  178.637   54.774   22.306   43.254   14.666   45.409   97.109  142.092  129.808   54.070  227.465   95.273 -97.65715 109.5474 
1 1 1   14   17   12 o  216.805   63.294   80.986   66.098   73.784   71.123  126.619  179.018  189.596   71.093  244.013  104.739 -54.41692 126.5874 
1 1 1   14   17   13 o  279.842  119.023  240.508  227.387   0.0000   0.0000  240.508  227.387  ?   ?   279.842  119.023      ?      ? 
1 1 1   14   17   14 o  257.212   73.696  113.611   71.203   90.137   74.361  372.469  246.939  200.241   73.120  314.183  127.975 -113.9425 147.3914 
1 1 1   14   17   15 o  192.453   61.132   45.841   60.506   47.778   62.813   20.929  225.285  164.993   65.456  219.912  103.265 -54.91945 122.2632 
1 1 1   14   17   16 o  211.126   76.460  106.294   81.069  106.294   81.069   0.0000   0.0000  211.126   76.460  ?   ?       ?      ? 
1 1 1   14   17   18 o  298.285   96.100  265.359  127.175  265.359  127.175   0.0000   0.0000  298.285   96.100  ?   ?       ?      ? 
1 1 1   14   17   19 o  182.893   72.634   72.814   77.419   72.814   77.419   0.0000   0.0000  182.893   72.634  ?   ?       ?      ? 
1 1 1   14   17   20 o  185.333   54.228   68.571   72.509  127.993   85.957 -78.0303  135.015  215.811   78.644  154.854   74.685 60.95767 108.4562 
1 1 1   14   17   21 o  181.057   56.453   64.841   75.321   73.106   90.057   45.602  137.404  180.111   75.665  182.003   83.802 -1.891403 112.9069 
1 1 1   14   17   22 o  189.573   59.624   78.026   80.718   54.586   94.980  138.975  153.156  170.789   74.769  208.357   92.896 -37.56851 119.2484 
1 1 1   14   17   23 o  228.492   67.316  200.515  104.397  231.570  127.707  137.955  181.256  250.793   94.994  206.191   95.403 44.60168 134.6314 
1 1 1   14   17   24 o  194.340   61.037   99.212   83.625   86.398   95.637  140.828  172.354  183.432   77.564  205.248   94.265 -21.81647 122.0741 
1 1 1   14   17   25 o  239.496   66.741  229.076  115.112  369.060  144.916 -10.2749  189.492  304.438  102.780  174.554   85.170 129.8837 133.4828 
1 1 1   14   17   26 o  228.727  103.799  294.275  200.970   0.0000   0.0000  294.275  200.970  ?   ?   228.727  103.799      ?      ? 
1 1 1   14   18    0 o  171.753   48.664   42.394   49.771   12.649   82.610   59.344   62.360  164.602   70.909  178.903   66.670 -14.30110 97.32898 
1 1 1   14   18    1 o  279.431   60.715  177.329   74.007  253.181  113.529  121.276   97.594  324.062   87.656  234.800   84.035 89.26202 121.4306 
1 1 1   14   18    2 o  140.336   41.415   0.0964   38.927   50.538   61.615 -33.4119   50.219  171.581   65.744  109.090   50.384 62.49131 82.83031 
1 1 1   14   18    3 o  545.339   97.938  732.062  200.764  732.062  200.764   0.0000   0.0000  545.339   97.938  ?   ?       ?      ? 
1 1 1   14   18    4 o  131.200   40.552  -3.0056   39.579   11.349   51.645 -23.4336   61.610  135.225   57.079  127.175   57.617 8.050034 81.10363 
1 1 1   14   18    5 o  289.165   64.356  207.507   80.343  212.359  102.589  199.811  129.203  296.132   84.575  282.198   97.024 13.93369 128.7111 
1 1 1   14   18    6 o  347.041   68.622  322.852  100.090  380.316  129.273  236.850  158.149  396.412   86.036  297.671  106.928 98.74100 137.2439 
1 1 1   14   18    7 o  158.821   64.976   32.150   64.008   32.150   64.008   0.0000   0.0000  158.821   64.976  ?   ?       ?      ? 
1 1 1   14   18    8 o  392.990   88.528  385.165  132.507  385.165  132.507   0.0000   0.0000  392.990   88.528  ?   ?       ?      ? 
1 1 1   14   18    9 o  295.619   83.706  218.784  100.939  218.784  100.939   0.0000   0.0000  295.619   83.706  ?   ?       ?      ? 
1 1 1   14   18   10 o  243.772   77.728  144.897   83.362  144.897   83.362   0.0000   0.0000  243.772   77.728  ?   ?       ?      ? 
1 1 1   14   18   11 o  277.589   82.629  196.263   96.159  196.263   96.159   0.0000   0.0000  277.589   82.629  ?   ?       ?      ? 
1 1 1   14   18   12 f  316.306   83.899  257.488  105.260  257.488  105.260   0.0000   0.0000  316.306   83.899  ?   ?       ?      ? 
1 1 1   14   18   13 o  253.167   76.320  160.283   81.652  160.283   81.652   0.0000   0.0000  253.167   76.320  ?   ?       ?      ? 
1 1 1   14   18   14 o  185.415   63.776   77.235   55.828   77.235   55.828   0.0000   0.0000  185.415   63.776  ?   ?       ?      ? 
1 1 1   14   18   15 o  126.557   54.623   7.0901   49.209   7.0901   49.209   0.0000   0.0000  126.557   54.623  ?   ?       ?      ? 
1 1 1   14   18   16 o  195.510   69.974   89.569   67.667   89.569   67.667   0.0000   0.0000  195.510   69.974  ?   ?       ?      ? 
1 1 1   14   18   17 o  228.010   77.073  135.812   81.492  135.812   81.492   0.0000   0.0000  228.010   77.073  ?   ?       ?      ? 
1 1 1   14   18   18 o  192.457   87.102   56.077  140.373   56.077  140.373   0.0000   0.0000  192.457   87.102  ?   ?       ?      ? 
1 1 1   14   18   19 o  183.478   70.999   81.704   72.364   81.704   72.364   0.0000   0.0000  183.478   70.999  ?   ?       ?      ? 
1 1 1   14   18   20 o  209.770   60.902  132.859   78.563  144.178   89.049   93.107  166.879  221.020   80.121  198.519   91.743 22.50075 121.8038 
1 1 1   14   18   21 o  210.408   83.071  135.569  100.716  135.569  100.716   0.0000   0.0000  210.408   83.071  ?   ?       ?      ? 
1 1 1   14   18   22 o  197.041   62.009  106.493   89.486  102.753  102.761  118.226  182.026  192.601   80.864  201.481   94.029 -8.879852 124.0178 
1 1 1   14   18   23 o  209.947   63.726  153.763  101.559  195.533  116.607   22.540  206.682  235.136   90.361  184.757   89.882 50.37904 127.4518 
1 1 1   14   18   24 o  239.549   71.603  276.958  134.631  382.782  166.124   74.449  229.806  287.728  108.499  191.370   93.468 96.35728 143.2067 
1 1 1   14   19    0 o  158.272   47.939   12.483   50.693   44.435   85.689  -4.7197   62.876  180.108   74.587  136.435   60.243 43.67305 95.87702 
1 1 1   14   19    1 f  263.725   58.909  142.847   72.398  286.806  118.198   56.408   91.590  337.751   88.582  189.699   77.680 148.0515 117.8172 
1 1 1   14   19    2 o  432.365   72.466  508.209  123.362  633.014  172.077  376.243  176.945  504.934   90.661  359.795  113.075 145.1388 144.9317 
1 1 1   14   19    3 o  143.576   63.674  -5.3389   70.997  -5.3389   70.997   0.0000   0.0000  143.576   63.674  ?   ?       ?      ? 
1 1 1   14   19    4 o  349.414   71.325  335.895  103.449  361.241  137.461  302.792  157.094  372.592   94.421  326.236  106.929 46.35663 142.6507 
1 1 1   14   19    5 o  480.099  102.515  617.879  186.226  617.879  186.226   0.0000   0.0000  480.099  102.515  ?   ?       ?      ? 
1 1 1   14   19    6 o  272.303   66.043  194.694   83.462  193.704  105.398  196.359  136.669  274.565   87.384  270.041   99.049 4.524170 132.0858 
1 1 1   14   19    7 o  289.251   66.609  237.555   93.702  294.833  116.332  131.749  158.110  338.542   87.441  239.961  100.503 98.58159 133.2173 
1 1 1   14   19    8 o  180.745   56.271  -9.6918   55.397 -37.1372   59.975  149.772  144.566  117.292   54.482  244.198   98.476 -126.9060 112.5422 
1 1 1   14   19    9 o  438.228  154.847  865.527  330.356  865.527  330.356   0.0000   0.0000  438.228  154.847  ?   ?       ?      ? 
1 1 1   14   19   10 o  173.078   55.136   23.816   55.736   26.992   59.167  -1.2038  166.068  148.846   61.837  197.311   91.302 -48.46481 110.2720 
1 1 1   14   19   11 f  193.865   62.353   14.500   57.159  -0.3412   59.645  181.464  200.058  133.173   58.745  254.557  110.002 -121.3847 124.7050 
1 1 1   14   19   12 o  205.720   64.418   58.841   68.096   51.500   71.655  127.288  218.804  171.639   69.289  239.800  108.618 -68.16113 128.8363 
1 1 1   14   19   13 o  187.367   56.014   60.762   56.858   65.701   61.055   28.507  156.037  176.343   65.919  198.390   90.582 -22.04666 112.0284 
1 1 1   14   19   14 o  148.134   47.545   6.3418   44.389   8.0905   47.929  -4.2023  117.691  125.413   54.019  170.855   78.257 -45.44143 95.09071 
1 1 1   14   19   15 o  172.564   53.437   31.238   56.212   20.070   62.758   76.553  126.417  144.911   62.102  200.217   86.980 -55.30626 106.8746 
1 1 1   14   19   16 f  151.006   62.365   35.728   59.673   35.728   59.673   0.0000   0.0000  151.006   62.365  ?   ?       ?      ? 
1 1 1   14   19   17 o  149.920   62.883   34.322   62.046   34.322   62.046   0.0000   0.0000  149.920   62.883  ?   ?       ?      ? 
1 1 1   14   19   18 o  178.081   82.959   26.862  140.677   26.862  140.677   0.0000   0.0000  178.081   82.959  ?   ?       ?      ? 
1 1 1   14   19   19 o  173.592   70.292   70.530   73.988   70.530   73.988   0.0000   0.0000  173.592   70.292  ?   ?       ?      ? 
1 1 1   14   19   20 o  181.749   60.362   44.012  102.796   27.575  124.659   78.937  181.717  169.953   78.805  193.545   91.456 -23.59261 120.7246 
1 1 1   14   19   21 o  149.252   67.025   19.288   81.270   19.288   81.270   0.0000   0.0000  149.252   67.025  ?   ?       ?      ? 
1 1 1   14   19   22 o  196.137   60.640  115.474   93.375  152.910  103.716 -44.6801  214.521  216.117   84.616  176.156   86.885 39.96112 121.2800 
1 1 1   14   19   23 o  163.081   55.654   5.7345   82.638   5.2708   89.344   8.4804  217.411  145.821   67.298  180.340   88.660 -34.51892 111.3083 
1 1 1   14   20    0 o  148.951   47.859 -14.8553   54.412   5.7566  102.813 -22.8745   64.129  170.169   75.973  127.734   58.224 42.43475 95.71826 
1 1 1   14   20    1 o  167.536   70.196   35.984   77.180   0.0000   0.0000   35.984   77.180  ?   ?   167.536   70.196      ?      ? 
1 1 1   14   20    2 o  184.837   61.608   8.5674   71.840 -87.2308  258.119   16.611   74.795  214.041  103.240  155.633   67.257 58.40807 123.2152 
1 1 1   14   20    3 o  239.858  112.084   70.070  259.965   70.070  259.965   0.0000   0.0000  239.858  112.084  ?   ?       ?      ? 
1 1 1   14   20    4 o  255.622   77.589   59.571  111.772  462.639  259.279 -32.4306  123.873  341.456  133.760  169.787   78.668 171.6693 155.1789 
1 1 1   14   20    5 o  241.581   65.517  140.369   82.913  110.634  102.043  198.142  142.239  218.109   84.335  265.052  100.288 -46.94289 131.0343 
1 1 1   14   20    6 o  248.089   62.569  162.003   87.437  237.845  109.420   28.013  145.437  298.878   87.935  197.299   89.034 101.5783 125.1378 
1 1 1   14   20    7 o  253.142   68.319  177.369   93.571  194.408  110.594  134.442  175.537  268.060   89.791  238.225  102.992 29.83478 136.6373 
1 1 1   14   20    8 o  178.919   56.658   25.489   66.046   25.123   72.791   27.195  157.098  157.389   67.151  200.448   91.276 -43.05830 113.3162 
1 1 1   14   20    9 f  196.264   60.030   61.580   71.748   64.817   79.159   46.680  169.821  183.271   73.234  209.258   95.138 -25.98650 120.0599 
1 1 1   14   20   10 o  193.865   61.469   22.419   62.355   3.3499   66.267  169.795  184.222  140.515   61.955  247.214  106.185 -106.6995 122.9379 
1 1 1   14   20   11 o  188.679   61.292   27.023   68.879   20.637   72.979   79.103  208.421  153.968   66.487  223.389  102.988 -69.42076 122.5842 
1 1 1   14   20   12 o  312.463   89.138  407.930  165.912  358.287  218.245  475.903  255.377  300.157  121.011  324.769  130.913 -24.61185 178.2750 
1 1 1   14   20   13 o  145.876   47.446   0.8789   48.871   9.4389   52.994 -47.8063  126.382  130.407   56.484  161.345   76.249 -30.93773 94.89119 
1 1 1   14   20   14 o  260.438   59.356  214.271   87.374  301.317  103.781   2.3843  161.917  335.073   80.396  185.803   87.344 149.2702 118.7115 
1 1 1   14   20   15 o  118.151   54.279 -19.0964   57.199 -19.0964   57.199   0.0000   0.0000  118.151   54.279  ?   ?       ?      ? 
1 1 1   14   20   16 o  173.761   69.849   68.232   72.483   68.232   72.483   0.0000   0.0000  173.761   69.849  ?   ?       ?      ? 
1 1 1   14   20   17 o  182.767   72.819   83.861   78.046   83.861   78.046   0.0000   0.0000  182.767   72.819  ?   ?       ?      ? 
1 1 1   14   20   18 o  146.434   63.078   30.303   65.365   30.303   65.365   0.0000   0.0000  146.434   63.078  ?   ?       ?      ? 
1 1 1   14   20   19 o  145.613   70.264 -62.3593  119.856 -62.3593  119.856   0.0000   0.0000  145.613   70.264  ?   ?       ?      ? 
1 1 1   14   20   20 o  196.463   88.684  110.866  144.426  110.866  144.426   0.0000   0.0000  196.463   88.684  ?   ?       ?      ? 
1 1 1   14   20   21 o  181.547   62.265   27.054  126.840   1.1863  151.163   88.599  233.168  168.322   80.619  194.772   94.912 -26.44957 124.5298 
1 1 1   14   20   22 o  174.516   59.919   17.075  126.678   52.673  149.788 -72.3366  237.389  176.356   83.241  172.675   86.208 3.680695 119.8373 
1 1 1   14   21    0 o  125.924   58.230 -33.1730   67.378   0.0000   0.0000 -33.1730   67.378  ?   ?   125.924   58.230      ?      ? 
1 1 1   14   21    1 o  254.928   68.525  169.153   93.326  249.038  148.581  117.099  119.938  287.149  103.586  222.706   89.736 64.44289 137.0491 
1 1 1   14   21    2 o  250.445   59.042  142.423   81.045  286.632  115.416   2.1510  113.830  327.625   88.282  173.264   78.424 154.3613 118.0847 
1 1 1   14   21    3 o  201.446   82.625   81.774  103.835   81.774  103.835   0.0000   0.0000  201.446   82.625  ?   ?       ?      ? 
1 1 1   14   21    4 o  401.977  104.960  763.441  221.534  724.725  337.262  792.823  293.807  373.628  150.502  430.327  146.341 -56.69864 209.9201 
1 1 1   14   21    5 o  226.575   63.763  123.907   92.444  184.930  112.998   0.4080  160.752  259.457   90.648  193.693   89.699 65.76447 127.5264 
1 1 1   14   21    6 o  621.499  125.541  1255.47  293.998  1255.47  293.998   0.0000   0.0000  621.499  125.541  ?   ?       ?      ? 
1 1 1   14   21    7 o  208.816   63.654   85.488   91.345  107.869  105.188   16.845  184.214  213.495   84.703  204.137   95.042 9.358887 127.3088 
1 1 1   14   21    8 o  172.656   56.986 -12.2211   73.246 -24.7343   81.177   42.601  169.912  140.353   64.546  204.959   93.934 -64.60625 113.9729 
1 1 1   14   21    9 o  232.967   65.190  151.698   92.841  189.211  105.727   25.329  194.051  260.097   87.790  205.836   96.394 54.26189 130.3797 
1 1 1   14   21   10 o  275.829   75.577  243.802  106.286  224.852  119.902  313.312  229.639  274.549   93.486  277.108  118.776 -2.559357 151.1538 
1 1 1   14   21   11 o  292.179   78.245  313.129  119.220  304.461  133.700  346.772  263.399  311.497   98.344  272.861  121.728 38.63586 156.4902 
1 1 1   14   21   12 o  146.905   50.650 -42.4498   62.779 -35.3064   66.951 -94.4732  180.677  121.531   56.820  172.280   83.863 -50.74902 101.2996 
1 1 1   14   21   13 o  160.346   50.781   27.002   61.462   49.259   68.324 -67.4061  140.716  161.824   66.774  158.867   76.526 2.957245 101.5629 
1 1 1   14   21   14 o  147.102   49.847 -15.7583   50.908 -21.1304   54.055   26.387  151.405  113.194   52.277  181.011   84.889 -67.81725 99.69444 
1 1 1   14   21   15 o  150.898   65.641   30.390   72.188   30.390   72.188   0.0000   0.0000  150.898   65.641  ?   ?       ?      ? 
1 1 1   14   21   16 o  164.825   69.122   56.081   74.943   56.081   74.943   0.0000   0.0000  164.825   69.122  ?   ?       ?      ? 
1 1 1   14   21   17 o  255.953   88.453  217.767  107.451  217.767  107.451   0.0000   0.0000  255.953   88.453  ?   ?       ?      ? 
1 1 1   14   21   18 o  158.704   69.193   41.754   80.600   41.754   80.600   0.0000   0.0000  158.704   69.193  ?   ?       ?      ? 
1 1 1   14   21   19 o  161.574   69.538   50.575   79.295   50.575   79.295   0.0000   0.0000  161.574   69.538  ?   ?       ?      ? 
1 1 1   14   21   20 o  131.845   60.860  -7.6775   73.127  -7.6775   73.127   0.0000   0.0000  131.845   60.860  ?   ?       ?      ? 
1 1 1   14   22    0 o  189.772   57.201   38.519   77.929  133.040  116.555 -37.8920  104.796  226.467   89.380  153.077   71.408 73.39035 114.4021 
1 1 1   14   22    1 o  196.180   58.253   75.044   75.152   87.529   95.714   54.972  121.354  199.514   80.243  192.846   84.468 6.667480 116.5068 
1 1 1   14   22    2 o  255.882   70.268  197.104   99.985  206.760  121.581  176.932  175.735  266.373   93.959  245.391  104.509 20.98192 140.5358 
1 1 1   14   22    3 f  301.408  114.107  325.836  184.206  325.836  184.206   0.0000   0.0000  301.408  114.107  ?   ?       ?      ? 
1 1 1   14   22    4 o  175.460   58.184 -21.8051   97.598   10.849  116.483 -98.7400  178.795  174.228   79.050  176.692   85.396 -2.463791 116.3678 
1 1 1   14   22    5 o  179.662   60.154 -28.1923  102.714 -39.1261  122.580  -2.4185  188.201  162.170   76.158  197.154   93.134 -34.98328 120.3077 
1 1 1   14   22    6 o  372.556   83.844  584.037  162.458  687.332  198.701  375.764  282.147  464.334  111.138  280.777  125.570 183.5570 167.6883 
1 1 1   14   22    7 o  253.266   73.476  212.824  113.364  213.251  133.277  211.706  215.589  259.827   97.340  246.706  110.089 13.12077 146.9512 
1 1 1   14   22    8 o  290.722   76.677  326.292  123.309  348.659  144.629  266.757  235.961  326.501  102.167  254.943  114.366 71.55788 153.3547 
1 1 1   14   22    9 o  178.327   58.211   29.781   78.480   31.852   86.362   19.962  188.029  162.627   71.244  194.027   92.079 -31.40010 116.4227 
1 1 1   14   22   10 o  268.795   70.066  275.194  109.401  322.181  128.531  151.637  208.426  316.653   95.820  220.938  102.253 95.71515 140.1327 
1 1 1   14   22   11 o  313.539   75.529  423.445  128.845  488.432  155.794  282.797  229.195  382.087  102.405  244.990  111.049 137.0975 151.0585 
1 1 1   14   22   12 o  236.372   68.000  159.993   83.927  112.636   94.849  330.843  180.155  200.652   80.169  272.092  109.858 -71.43954 135.9995 
1 1 1   14   22   13 o  153.404   51.224   2.8667   57.880   1.5585   62.147   11.424  158.945  130.027   58.482  176.782   84.117 -46.75497 102.4490 
1 1 1   14   22   14 o  261.864   70.233  282.547  104.781  292.231  118.169  246.928  226.634  295.839   92.313  227.890  105.873 67.94928 140.4660 
1 1 1   14   22   15 o  274.798   91.910  257.893  115.873  257.893  115.873   0.0000   0.0000  274.798   91.910  ?   ?       ?      ? 
1 1 1   14   22   16 o  168.456   72.159   59.231   84.656   59.231   84.656   0.0000   0.0000  168.456   72.159  ?   ?       ?      ? 
1 1 1   14   22   17 o  153.732   69.093   26.288   86.559   26.288   86.559   0.0000   0.0000  153.732   69.093  ?   ?       ?      ? 
1 1 1   14   22   18 o  181.125   77.930   86.015   99.530   86.015   99.530   0.0000   0.0000  181.125   77.930  ?   ?       ?      ? 
1 1 1   14   22   19 o  130.862   61.134 -15.4725   77.255 -15.4725   77.255   0.0000   0.0000  130.862   61.134  ?   ?       ?      ? 
1 1 1   14   23    0 o  152.158   50.302 -29.3559   74.111 -45.3940  102.268 -11.6184  107.550  145.675   68.766  158.641   73.432 -12.96634 100.6036 
1 1 1   14   23    1 o  347.058   82.980  462.442  131.327  433.281  161.219  519.952  226.408  357.204  107.141  336.912  126.742 20.29266 165.9605 
1 1 1   14   23    2 o  342.673  101.109  751.880  228.313  945.726  335.892  585.403  311.279  381.600  151.373  303.747  134.084 77.85309 202.2183 
1 1 1   14   23    3 o  286.294  104.147  292.797  150.653  292.797  150.653   0.0000   0.0000  286.294  104.147  ?   ?       ?      ? 
1 1 1   14   23    4 o  344.573   81.910  534.766  151.178  601.656  182.535  388.674  269.761  420.052  110.039  269.094  121.360 150.9582 163.8200 
1 1 1   14   23    5 o  252.551   72.317  242.436  115.733  264.610  133.609  175.806  231.611  278.203   98.457  226.898  105.950 51.30505 144.6347 
1 1 1   14   23    6 o  193.523   62.608   64.682   92.520   49.782  105.099  115.992  195.026  175.857   77.756  211.189   98.147 -35.33282 125.2150 
1 1 1   14   23    7 o  178.833   58.602   20.970   81.203 -10.8531   92.611  126.795  168.881  147.331   68.178  210.334   95.334 -63.00256 117.2039 
1 1 1   14   23    8 o  213.499   64.342  140.850  100.919  196.619  126.211   41.975  168.052  239.234   93.432  187.764   88.486 51.47083 128.6832 
1 1 1   14   23    9 o  172.023   55.262   38.652   78.343   29.193   98.432   55.002  129.405  162.788   73.373  181.257   82.655 -18.46948 110.5231 
1 1 1   14   23   10 f  143.978   48.582 -41.0929   71.662 -52.5012   88.479 -19.3391  122.180  130.455   62.262  157.500   74.593 -27.04478 97.16379 
1 1 1   14   23   11 o  148.640   50.357 -36.8367   75.783 -44.3571   90.180 -18.7617  139.808  133.496   63.474  163.783   78.196 -30.28773 100.7148 
1 1 1   14   23   12 o  147.070   50.705 -50.3843   72.969 -57.6389   81.364 -20.5737  164.935  123.405   59.116  170.735   82.396 -47.33044 101.4091 
1 1 1   14   23   13 o  162.960   54.754   13.876   68.748   14.223   73.238   11.299  199.423  142.687   63.882  183.234   88.944 -40.54776 109.5082 
1 1 1   14   23   14 o  248.951   66.078  265.624  115.277  344.664  128.137 -69.9097  264.009  315.333   95.730  182.569   91.110 132.7640 132.1562 
1 1 1   14   23   15 o  128.334   60.877 -38.8467   82.015 -38.8467   82.015   0.0000   0.0000  128.334   60.877  ?   ?       ?      ? 
1 1 1   14   23   16 o  216.932  100.791  224.248  205.469  224.248  205.469   0.0000   0.0000  216.932  100.791  ?   ?       ?      ? 
1 1 1   14   23   17 o  215.383   89.646  176.692  124.681  176.692  124.681   0.0000   0.0000  215.383   89.646  ?   ?       ?      ? 
1 1 1   14   24    0 o  173.947   57.321   22.094   95.242   37.236  133.895   6.5861  135.506  177.724   82.149  170.170   79.965 7.553787 114.6422 
1 1 1   14   24    1 o  195.837   63.215   70.594   96.398   22.622  113.883  191.839  181.048  166.905   76.644  224.768  100.550 -57.86325 126.4301 
1 1 1   14   24    2 o  188.886   80.204   89.169  102.941   89.169  102.941   0.0000   0.0000  188.886   80.204  ?   ?       ?      ? 
1 1 1   14   24    3 o  167.450   72.222   52.044   85.908   52.044   85.908   0.0000   0.0000  167.450   72.222  ?   ?       ?      ? 
1 1 1   14   24    4 o  224.495   83.269  155.595   97.054  155.595   97.054   0.0000   0.0000  224.495   83.269  ?   ?       ?      ? 
1 1 1   14   24    5 o  166.110   71.146   53.023   82.283   53.023   82.283   0.0000   0.0000  166.110   71.146  ?   ?       ?      ? 
1 1 1   14   24    6 o  249.183   89.184  207.592  109.920  207.592  109.920   0.0000   0.0000  249.183   89.184  ?   ?       ?      ? 
1 1 1   14   24    7 o  183.743   77.293   84.609   94.179   84.609   94.179   0.0000   0.0000  183.743   77.293  ?   ?       ?      ? 
1 1 1   14   24    8 o  298.962  101.162  336.206  140.394  336.206  140.394   0.0000   0.0000  298.962  101.162  ?   ?       ?      ? 
1 1 1   14   24    9 o  174.117   53.560   45.141   79.848  126.340   93.149 -179.8364  155.051  205.710   80.287  142.525   70.915 63.18570 107.1208 
1 1 1   14   24   10 o  185.214   59.459   76.379   89.816   89.300  103.635   37.385  180.026  186.207   79.802  184.221   88.166 1.986038 118.9188 
1 1 1   14   24   11 o  222.258   66.920  192.040  106.957  216.424  122.325  112.874  220.411  243.912   92.831  200.603   96.414 43.30893 133.8405 
1 1 1   14   24   12 o  178.507   60.650   22.720   88.894  -4.7016   96.553  175.280  227.742  147.561   68.737  209.454   99.945 -61.89224 121.3005 
1 1 1   14   24   13 o  194.221   81.884  113.437  106.083  113.437  106.083   0.0000   0.0000  194.221   81.884  ?   ?       ?      ? 
1 1 1   14   24   14 o  126.039   60.433 -51.4037   85.454 -51.4037   85.454   0.0000   0.0000  126.039   60.433  ?   ?       ?      ? 
1 1 1   14   25    0 o  184.477   61.275   52.463  111.828   27.296  152.043   82.124  165.056  177.006   83.645  191.949   89.567 -14.94220 122.5507 
1 1 1   14   25    1 o  155.662   52.592 -28.7316   88.541   10.679  104.742 -127.3966  165.727  157.445   72.733  153.879   75.985 3.565125 105.1848 
1 1 1   14   25    2 o  170.577   54.959   38.549   82.798   81.266   94.720 -99.8274  170.480  181.720   77.035  159.434   78.407 22.28613 109.9182 
1 1 1   14   25    3 o  149.138   66.928   19.107   80.892   19.107   80.892   0.0000   0.0000  149.138   66.928  ?   ?       ?      ? 
1 1 1   14   25    4 o  168.540   56.441   9.5951   71.724 -11.0536   78.181  119.336  180.234  135.722   62.748  201.357   93.835 -65.63441 112.8817 
1 1 1   14   25    5 o  166.777   55.179   20.374   73.917   8.5644   82.737   67.076  164.531  145.742   66.317  187.812   88.210 -42.07091 110.3584 
1 1 1   14   25    6 o  169.155   55.731   10.571   75.033 -27.7563   86.075  131.862  153.122  135.054   63.549  203.256   91.572 -68.20270 111.4630 
1 1 1   14   25    7 o  164.196   54.484   5.5144   78.035 -25.4755   91.871   85.787  147.861  139.103   65.515  189.288   87.074 -50.18507 108.9683 
1 1 1   14   25    8 o  193.283   61.889   93.672   93.177   59.819  111.900  170.217  168.264  174.645   78.519  211.920   95.686 -37.27539 123.7788 
1 1 1   14   25    9 o  168.828   57.126   9.8833   99.482   16.721  116.077  -9.0341  193.073  161.583   75.301  176.072   85.924 -14.48924 114.2511 
1 1 1   14   25   10 o  176.712   60.454   22.811  120.920   35.594  140.874 -12.9700  235.687  172.468   81.198  180.955   89.585 -8.486816 120.9072 
1 1 1   14   25   11 f  199.012   65.615  139.859  134.072  200.269  153.422 -55.3395  275.787  218.205   95.290  179.819   90.229 38.38539 131.2308 
1 1 1   14   26    0 o  174.903   59.285  -1.8818  116.378  119.371  170.473 -107.7141  159.264  197.508   91.779  152.299   75.069 45.20863 118.5696 
1 1 1   14   26    1 o  156.980   52.292  -1.5867   82.781   37.754   96.992 -107.1109  158.851  161.761   72.879  152.200   75.010 9.560715 104.5844 
1 1 1   14   26    2 o  211.155   64.097  160.832   95.594  173.299  111.870  127.095  184.035  223.067   87.715  199.243   93.487 23.82419 128.1943 
1 1 1   14   26    3 o  164.293   73.095   47.479   94.285   47.479   94.285   0.0000   0.0000  164.293   73.095  ?   ?       ?      ? 
1 1 1   14   26    4 o  159.009   51.577   14.822   78.217   75.766   91.797 -146.6671  149.430  175.689   75.195  142.329   70.615 33.35934 103.1544 
1 1 1   14   26    5 o  159.780   52.364   20.180   78.608   53.631   95.570 -49.7871  138.216  166.418   73.837  153.142   74.270 13.27632 104.7280 
1 1 1   14   26    6 o  144.044   49.140 -42.2083   78.223 -41.6273   95.408 -43.3997  136.625  134.846   64.440  153.241   74.204 -18.39516 98.27914 
1 1 1   14   26    7 o  280.831   79.128  425.590  131.643  400.897  159.526  478.300  233.070  297.756  107.345  263.905  116.284 33.85049 158.2559 
1 1 1   15    0    0 o  179.655   17.517   66.676   16.428   66.676   16.428   66.676   16.428  179.655   24.773  179.655   24.773 -0.000000 0.000000 
1 1 1   15    0    1 o   75.478   25.829   16.457   12.544   16.457   12.544   16.457   12.544   75.478   36.527   75.478   36.527 -0.000000 0.000000 
1 1 1   15    0    2 o  408.156   24.765  334.360   54.838  334.360   54.838  334.360   54.838  408.156   35.022  408.156   35.022 -0.000000 0.000000 
1 1 1   15    0    3 o  335.625   16.560  223.645   30.330  223.645   30.330  223.645   30.330  335.625   23.419  335.625   23.419 -0.000000 0.000000 
1 1 1   15    0    4 o  961.813   24.744  1824.20  130.951  1824.20  130.951  1824.20  130.951  961.813   34.994  961.813   34.994 -0.000000 0.000000 
1 1 1   15    0    5 o  184.133   16.755   69.554   16.252   69.554   16.252   69.554   16.252  184.133   23.696  184.133   23.696 0.000000 0.000000 
1 1 1   15    0    6 o  237.781   16.348  113.712   20.987  113.712   20.987  113.712   20.987  237.781   23.120  237.781   23.120 0.000000 0.000000 
1 1 1   15    0    7 o  418.640   24.893  351.256   56.577  351.256   56.577  351.256   56.577  418.640   35.204  418.640   35.204 -0.000000 0.000000 
1 1 1   15    0    8 o  913.798   34.250  1661.96  171.617  1661.96  171.617  1661.96  171.617  913.798   48.437  913.798   48.437 0.000000 0.000000 
1 1 1   15    0    9 o  440.429   23.281  386.795   55.861  386.795   55.861  386.795   55.861  440.429   32.924  440.429   32.924 0.000000 0.000000 
1 1 1   15    0   10 o  466.007   24.025  432.845   61.034  432.845   61.034  432.845   61.034  466.007   33.977  466.007   33.977 -0.000000 0.000000 
1 1 1   15    0   11 o  1622.39   50.740  5300.29  452.287  5300.29  452.287  5300.29  452.287  1622.39   71.757  1622.39   71.757 -0.000000 0.000000 
1 1 1   15    0   12 o  451.352   21.110  404.538   52.055  404.538   52.055  404.538   52.055  451.352   29.854  451.352   29.854 0.000000 0.000000 
1 1 1   15    0   25 o  428.289   23.125  371.446   53.927  371.446   53.927  371.446   53.927  428.289   32.704  428.289   32.704 0.000000 0.000000 
1 1 1   15    0   26 o   67.767   23.218   13.448   10.140   13.448   10.140   13.448   10.140   67.767   32.835   67.767   32.835 -0.000000 0.000000 
1 1 1   15    0   31 o  164.248   27.928   63.076   21.954   63.076   21.954   63.076   21.954  164.248   39.497  164.248   39.497 0.000000 0.000000 
1 1 1   15    1    0 o  867.923   23.213  1487.74   78.615  1473.93  110.318  1501.99  112.059  863.864   32.724  871.982   32.931 -8.118469 46.42577 
1 1 1   15    1    1 f  389.625   20.562  297.686   29.507  294.933   36.114  303.216   51.179  387.531   23.880  391.718   33.480 -4.186920 41.12362 
1 1 1   15    1    2 o  206.888   19.714   84.153   15.064   84.548   25.895   83.950   18.520  206.965   32.062  206.812   22.947 0.1536865 39.42796 
1 1 1   15    1    3 o  783.419   21.858  1209.39   66.795  1181.10   92.819  1239.78   96.196  773.971   30.731  792.867   31.090 -18.89606 43.71515 
1 1 1   15    1    4 o  310.975   16.135  189.727   19.579  185.945   27.488  193.621   27.894  307.826   22.883  314.125   22.755 -6.299500 32.27074 
1 1 1   15    1    5 o  188.786   15.035   69.834   11.072   67.260   15.464   72.542   15.860  185.212   21.396  192.359   21.128 -7.146515 30.06952 
1 1 1   15    1    6 o  263.841   19.494  141.444   18.826  122.858   31.616  151.656   23.434  249.566   32.463  278.117   21.592 -28.55157 38.98770 
1 1 1   15    1    7 o  665.474   24.716  891.350   61.304  936.083   77.277  815.403  100.691  689.754   28.709  641.194   40.241 48.56006 49.43261 
1 1 1   15    1    8 o  702.173   24.165  977.347   64.034  989.704   81.161  956.973  104.219  709.147   29.328  695.198   38.416 13.94952 48.33096 
1 1 1   15    1    9 o  483.135   25.003  458.291   47.139  458.291   47.139   0.0000   0.0000  483.135   25.003  ?   ?       ?      ? 
1 1 1   15    1   10 o  1269.44   41.542  3218.47  202.698  3452.94  319.561  3060.63  262.193  1304.70   62.764  1234.18   54.439 70.51514 83.08390 
1 1 1   15    1   12 o  536.129   24.578  551.611   50.642  700.526   79.392  449.451   65.757  595.485   34.164  476.773   35.343 118.7114 49.15601 
1 1 1   15    1   13 f  305.086   40.106  226.454   32.760  242.619   35.773  142.430   81.560  351.288   26.095  258.884   75.848 92.40442 80.21131 
1 1 1   15    1   14 o  200.980   38.370   86.505   23.680   90.192   25.159   57.881   70.102  213.865   30.145  188.094   70.571 25.77077 76.73930 
1 1 1   15    1   16 o  368.182   35.573  268.717   51.111  268.717   51.111   0.0000   0.0000  368.182   35.573  ?   ?       ?      ? 
1 1 1   15    1   20 o  634.976   39.831  809.828   98.699  809.828   98.699   0.0000   0.0000  634.976   39.831  ?   ?       ?      ? 
1 1 1   15    1   21 o  258.604   31.662  133.352   31.953  133.352   31.953   0.0000   0.0000  258.604   31.662  ?   ?       ?      ? 
1 1 1   15    1   22 o  882.340   48.595  1612.26  167.325  1612.26  167.325   0.0000   0.0000  882.340   48.595  ?   ?       ?      ? 
1 1 1   15    1   23 o  549.713   35.220  612.150   75.554  612.150   75.554   0.0000   0.0000  549.713   35.220  ?   ?       ?      ? 
1 1 1   15    1   25 o  139.584   34.983   26.833   14.172   24.288   14.698   60.524   53.480  108.459   32.309  170.710   62.059 -62.25149 69.96546 
1 1 1   15    1   27 o  232.803   60.787  140.026   78.131   66.478  115.018  203.043  106.465  195.238   83.883  270.367   87.999 -75.12822 121.5737 
1 1 1   15    1   28 o  163.184   69.920   36.523   79.525   0.0000   0.0000   36.523   79.525  ?   ?   163.184   69.920      ?      ? 
1 1 1   15    1   29 o  264.650   93.949  232.873  121.743   0.0000   0.0000  232.873  121.743  ?   ?   264.650   93.949      ?      ? 
1 1 1   15    2    0 o  265.717   19.416  130.813   18.770  118.068   22.325  161.554   34.672  245.238   23.327  286.197   31.044 -40.95828 38.83150 
1 1 1   15    2    1 o   80.108   16.200   12.409   6.2957   21.554   8.2225  -0.5487   9.7877  102.977   21.169   57.239   24.528 45.73818 32.39920 
1 1 1   15    2    2 o  517.804   25.817  530.234   52.134  552.088   75.352  510.168   72.206  528.013   36.570  507.595   36.452 20.41818 51.63449 
1 1 1   15    2    3 o  447.092   21.531  398.736   35.500  379.021   60.311  409.189   43.914  437.759   35.305  456.425   24.655 -18.66571 43.06120 
1 1 1   15    2    4 o  624.378   24.068  748.592   54.139  716.047   64.469  826.443   99.711  603.359   27.381  645.396   39.590 -42.03613 48.13578 
1 1 1   15    2    5 o  306.994   19.456  184.998   22.329  184.097   27.813  186.631   37.450  306.291   23.269  307.696   31.189 -1.405151 38.91261 
1 1 1   15    2    6 o  852.740   43.156  1446.03  143.613   0.0000   0.0000  1446.03  143.613  ?   ?   852.740   43.156      ?      ? 
1 1 1   15    2    7 o  1040.12   31.169  2144.65  120.516  2126.79  149.081  2178.33  204.735  1036.92   36.842  1043.33   50.285 -6.403687 62.33741 
1 1 1   15    2    8 o  675.867   24.986  879.491   60.828  844.730   72.485  962.251  111.845  655.348   28.343  696.385   41.156 -41.03668 49.97155 
1 1 1   15    2    9 o  207.671   18.582   83.256   14.201   80.444   17.266   89.137   24.967  202.565   21.842  212.777   30.069 -10.21243 37.16467 
1 1 1   15    2   10 o  662.471   23.656  845.293   57.540  807.327   69.651  926.890  102.110  640.739   27.856  684.201   38.243 -43.46222 47.31264 
1 1 1   15    2   11 o  429.255   20.580  374.726   32.168  541.733   46.308  218.987   44.718  525.533   22.580  332.978   34.414 192.5552 41.16080 
1 1 1   15    2   12 o  257.843   39.951  148.751   28.300  154.001   30.402  114.675   77.457  279.771   27.846  235.915   74.893 43.85614 79.90239 
1 1 1   15    2   13 o  674.120   37.963  901.107   99.868  901.107   99.868   0.0000   0.0000  674.120   37.963  ?   ?       ?      ? 
1 1 1   15    2   14 f  435.341   34.366  374.932   58.384  374.932   58.384   0.0000   0.0000  435.341   34.366  ?   ?       ?      ? 
1 1 1   15    2   16 o  485.474  104.503  537.538  192.122  537.538  192.122   0.0000   0.0000  485.474  104.503  ?   ?       ?      ? 
1 1 1   15    2   17 o  913.266   45.735  1672.62  162.995  1672.62  162.995   0.0000   0.0000  913.266   45.735  ?   ?       ?      ? 
1 1 1   15    2   18 o  566.280   37.294  638.211   82.414  638.211   82.414   0.0000   0.0000  566.280   37.294  ?   ?       ?      ? 
1 1 1   15    2   19 o  207.524   37.739   88.455   29.437   88.455   29.437   0.0000   0.0000  207.524   37.739  ?   ?       ?      ? 
1 1 1   15    2   20 o  223.031   34.665   99.260   30.171   99.260   30.171   0.0000   0.0000  223.031   34.665  ?   ?       ?      ? 
1 1 1   15    2   21 o  436.543   34.166  381.531   58.203  381.531   58.203   0.0000   0.0000  436.543   34.166  ?   ?       ?      ? 
1 1 1   15    2   22 o  315.015   31.612  198.751   38.860  198.751   38.860   0.0000   0.0000  315.015   31.612  ?   ?       ?      ? 
1 1 1   15    2   23 f  323.488   29.256  209.652   36.932  209.652   36.932   0.0000   0.0000  323.488   29.256  ?   ?       ?      ? 
1 1 1   15    2   24 o  275.767   34.764  154.843   37.412  154.843   37.412   0.0000   0.0000  275.767   34.764  ?   ?       ?      ? 
1 1 1   15    2   25 o  436.795   34.019  389.338   57.988  389.338   57.988   0.0000   0.0000  436.795   34.019  ?   ?       ?      ? 
1 1 1   15    2   26 o  127.214   61.229 -94.3278   89.649 -94.3278   89.649   0.0000   0.0000  127.214   61.229  ?   ?       ?      ? 
1 1 1   15    2   27 o  153.267   44.642   4.9620   49.376 -75.7884   69.538   87.079   70.124  112.738   54.177  193.796   70.969 -81.05737 89.28479 
1 1 1   15    2   28 o  187.350   45.394   22.846   18.082   15.958   18.402  215.714   97.377   96.958   36.200  277.743   83.259 -180.7855 90.78806 
1 1 1   15    2   29 f  210.990   87.844  129.983  119.772   0.0000   0.0000  129.983  119.772  ?   ?   210.990   87.844      ?      ? 
1 1 1   15    2   31 o   68.811   29.727  -0.0679   14.603  -0.0679   14.603   0.0000   0.0000   68.811   29.727  ?   ?       ?      ? 
1 1 1   15    2   32 o  159.151   42.342   48.135   23.185   46.079   24.055   75.027   87.010  142.763   41.010  175.539   74.091 -32.77577 84.68388 
1 1 1   15    2   33 o  142.069   38.928   42.848   22.079   46.222   22.631 -23.8235  100.596  142.740   39.357  141.399   67.175 1.340454 77.85537 
1 1 1   15    3    0 o  733.685   21.351  1060.55   61.118  1090.63   87.193  1031.49   85.694  743.949   30.034  723.421   30.355 20.52740 42.70148 
1 1 1   15    3    1 o  600.462   19.293  709.258   45.209  712.114   63.966  706.407   63.903  601.678   27.243  599.247   27.327 2.430420 38.58650 
1 1 1   15    3    2 o  661.554   28.386  861.447   73.283  861.447   73.283   0.0000   0.0000  661.554   28.386  ?   ?       ?      ? 
1 1 1   15    3    3 o  315.066   21.263  195.950   26.073  180.056   36.950  211.710   36.795  302.187   31.333  327.946   28.751 -25.75833 42.52534 
1 1 1   15    3    4 o  1262.61   35.900  3155.79  166.958  3076.86  203.766  3317.02  291.231  1244.20   41.967  1281.03   58.257 -36.82178 71.79906 
1 1 1   15    3    5 o  348.022   20.536  251.862   26.253  295.832   34.004  186.978   41.306  388.366   22.436  307.677   34.402 80.68832 41.07212 
1 1 1   15    3    6 o  913.083   28.062  1675.74   97.985  1792.91  129.335  1517.90  150.118  952.735   34.787  873.431   44.043 79.30365 56.12371 
1 1 1   15    3    7 o  428.512   32.435  362.076   54.239   0.0000   0.0000  362.076   54.239  ?   ?   428.512   32.435      ?      ? 
1 1 1   15    3    8 o  892.345   27.624  1599.88   94.713  1766.83  128.033  1398.09  140.756  945.917   34.685  838.772   43.002 107.1448 55.24702 
1 1 1   15    3    9 o  886.733   28.979  1570.76   95.010  1594.89  117.540  1525.25  161.379  899.061   33.502  874.404   47.294 24.65656 57.95733 
1 1 1   15    3   10 f  1240.23   42.073  3055.32  203.627  3055.32  203.627   0.0000   0.0000  1240.23   42.073  ?   ?       ?      ? 
1 1 1   15    3   11 o  157.539   28.621   58.358   12.662   61.819   13.272   23.296   42.247  177.654   19.144  137.424   53.947 40.23027 57.24255 
1 1 1   15    3   12 o  1000.30   99.751  2672.25  230.575  2808.73  249.512  1874.12  603.389  1181.00   54.139  819.599  192.016 361.4005 199.5018 
1 1 1   15    3   13 o  188.035   33.502   91.943   21.382  103.794   22.816   6.4346   61.286  229.792   25.443  146.277   61.985 83.51527 67.00352 
1 1 1   15    3   14 o  184.886   46.690   62.176   42.699   72.261   55.885   48.031   66.185  191.670   63.823  178.101   68.163 13.56895 93.37907 
1 1 1   15    3   15 o  233.466   72.367  114.025   72.757  114.025   72.757   0.0000   0.0000  233.466   72.367  ?   ?       ?      ? 
1 1 1   15    3   16 o  327.529   85.469  236.983  110.400  236.983  110.400   0.0000   0.0000  327.529   85.469  ?   ?       ?      ? 
1 1 1   15    3   17 o  383.883   92.206  331.301  136.398  331.301  136.398   0.0000   0.0000  383.883   92.206  ?   ?       ?      ? 
1 1 1   15    3   18 o  421.295   44.771  356.521   73.607  356.521   73.607   0.0000   0.0000  421.295   44.771  ?   ?       ?      ? 
1 1 1   15    3   19 o  408.084   42.088  334.523   67.026  334.523   67.026   0.0000   0.0000  408.084   42.088  ?   ?       ?      ? 
1 1 1   15    3   20 o  321.005   39.020  207.035   48.880  207.035   48.880   0.0000   0.0000  321.005   39.020  ?   ?       ?      ? 
1 1 1   15    3   21 o  272.955   36.376  149.812   38.747  149.812   38.747   0.0000   0.0000  272.955   36.376  ?   ?       ?      ? 
1 1 1   15    3   22 o  610.523   38.358  756.544   91.387  756.544   91.387   0.0000   0.0000  610.523   38.358  ?   ?       ?      ? 
1 1 1   15    3   23 o  618.107  194.853  1869.89  525.023  1869.89  525.023   0.0000   0.0000  618.107  194.853  ?   ?       ?      ? 
1 1 1   15    3   24 o  372.080  104.935  396.009  158.959  396.009  158.959   0.0000   0.0000  372.080  104.935  ?   ?       ?      ? 
1 1 1   15    3   25 o  362.843  107.537  396.600  163.133  396.600  163.133   0.0000   0.0000  362.843  107.537  ?   ?       ?      ? 
1 1 1   15    3   26 o  219.531   36.532  127.164   29.815  149.056   34.004   54.369   62.006  270.515   32.211  168.546   65.581 101.9686 73.06483 
1 1 1   15    3   27 o  198.554   34.578  112.273   29.596  139.830   32.759 -10.0795   69.029  261.497   32.102  135.611   61.254 125.8853 69.15666 
1 1 1   15    3   28 o  208.233   41.050  115.864   31.905  126.153   34.029   41.076   91.746  246.081   35.435  170.385   74.059 75.69577 82.10023 
1 1 1   15    3   29 o  260.222  106.098  278.767  169.937  278.767  169.937   0.0000   0.0000  260.222  106.098  ?   ?       ?      ? 
1 1 1   15    3   30 o  229.335   43.992  153.092   37.681  163.946   40.160   73.219  108.942  277.123   37.135  181.547   79.763 95.57591 87.98349 
1 1 1   15    3   32 o  342.059   52.191  424.165   62.307  461.236   67.357  204.397  164.001  462.942   37.284  221.176   97.496 241.7660 104.3816 
1 1 1   15    4    0 o  1189.96   34.478  2809.41  151.558  2760.03  185.832  2907.51  261.913  1179.11   40.386  1200.82   55.891 -21.71533 68.95586 
1 1 1   15    4    1 o  397.135   18.516  316.765   27.354  334.774   34.461  286.092   44.974  413.209   21.371  381.061   30.244 32.14828 37.03252 
1 1 1   15    4    2 f  151.606   30.489   45.923   13.512   47.288   14.165   32.132   45.016  155.227   23.384  147.986   56.316 7.241837 60.97769 
1 1 1   15    4    3 f  246.117   22.639  128.946   19.306  145.794   24.045   98.373   32.390  272.621   22.601  219.614   39.234 53.00706 45.27790 
1 1 1   15    4    4 o  316.778   24.606  198.566   30.339  203.504   41.762  193.048   44.149  321.116   33.326  312.439   36.209 8.677216 49.21133 
1 1 1   15    4    5 o  636.375   27.181  795.593   67.097  859.731  101.864  746.439   89.176  658.549   39.637  614.201   37.205 44.34784 54.36295 
1 1 1   15    4    6 o  757.625   25.611  1032.62   68.293  915.176   79.027  1379.04  135.723  681.836   29.700  833.414   41.731 -151.5772 51.22111 
1 1 1   15    4    7 o  373.840   23.985  275.519   34.968  289.754   50.330  262.236   48.618  383.197   33.657  364.483   34.181 18.71411 47.97001 
1 1 1   15    4    8 o  329.811   20.427  218.983   24.769  230.124   30.759  198.434   41.772  342.519   23.012  317.103   33.757 25.41635 40.85412 
1 1 1   15    4    9 o  241.810   20.772  115.614   19.412  119.327   25.970  110.912   29.223  246.392   27.009  237.229   31.566 9.162674 41.54388 
1 1 1   15    4   10 o  496.389   56.410  574.993   67.479  595.140   72.505  444.607  184.451  549.047   33.840  443.731  107.624 105.3157 112.8190 
1 1 1   15    4   11 o  474.109   33.550  443.871   62.072  443.871   62.072   0.0000   0.0000  474.109   33.550  ?   ?       ?      ? 
1 1 1   15    4   12 o  895.053   44.331  1597.43  154.842  1597.43  154.842   0.0000   0.0000  895.053   44.331  ?   ?       ?      ? 
1 1 1   15    4   13 o  380.772   58.902  294.309   87.524  294.309   87.524   0.0000   0.0000  380.772   58.902  ?   ?       ?      ? 
1 1 1   15    4   14 o  196.091   37.994   92.805   23.537  100.730   24.618   8.4149   80.332  226.151   27.895  166.031   70.684 60.11937 75.98866 
1 1 1   15    4   15 f  509.299  106.904  593.049  205.700  593.049  205.700   0.0000   0.0000  509.299  106.904  ?   ?       ?      ? 
1 1 1   15    4   16 o  588.893  118.274  815.442  262.368  815.442  262.368   0.0000   0.0000  588.893  118.274  ?   ?       ?      ? 
1 1 1   15    4   17 o  447.871  100.054  458.428  170.462  458.428  170.462   0.0000   0.0000  447.871  100.054  ?   ?       ?      ? 
1 1 1   15    4   18 o  522.204  111.063  646.211  219.367  646.211  219.367   0.0000   0.0000  522.204  111.063  ?   ?       ?      ? 
1 1 1   15    4   19 f  206.784   67.262   88.922   62.204   88.922   62.204   0.0000   0.0000  206.784   67.262  ?   ?       ?      ? 
1 1 1   15    4   20 o  572.657  125.904  861.540  273.698  861.540  273.698   0.0000   0.0000  572.657  125.904  ?   ?       ?      ? 
1 1 1   15    4   21 o  333.237   89.068  267.195  118.049  267.195  118.049   0.0000   0.0000  333.237   89.068  ?   ?       ?      ? 
1 1 1   15    4   22 o  418.870   38.840  357.063   63.487  357.063   63.487   0.0000   0.0000  418.870   38.840  ?   ?       ?      ? 
1 1 1   15    4   23 o  162.756   46.978   56.984   31.497   56.984   31.497   0.0000   0.0000  162.756   46.978  ?   ?       ?      ? 
1 1 1   15    4   24 o  204.308   50.358   92.368   39.893   92.368   39.893   0.0000   0.0000  204.308   50.358  ?   ?       ?      ? 
1 1 1   15    4   25 o  438.105   40.945  399.937   70.003  399.937   70.003   0.0000   0.0000  438.105   40.945  ?   ?       ?      ? 
1 1 1   15    4   26 o  272.644   49.866  164.018   51.101  164.018   51.101   0.0000   0.0000  272.644   49.866  ?   ?       ?      ? 
1 1 1   15    4   27 o  534.241   72.549  892.856   98.694  918.853  106.315  730.783  265.452  659.862   41.287  408.621  139.099 251.2406 145.0973 
1 1 1   15    4   28 o  110.133   34.194   1.8796   26.553   1.8639   32.067   1.9137   47.362  101.086   43.861  119.180   52.471 -18.09435 68.38848 
1 1 1   15    4   29 o  255.748   37.455  205.600   40.394  271.580   47.093   21.922   78.574  360.359   33.488  151.137   67.008 209.2222 74.91045 
1 1 1   15    4   30 o  314.717   42.249  216.985   51.888  216.985   51.888   0.0000   0.0000  314.717   42.249  ?   ?       ?      ? 
1 1 1   15    4   31 o  205.084   49.614   99.334   39.275   99.334   39.275   0.0000   0.0000  205.084   49.614  ?   ?       ?      ? 
1 1 1   15    4   32 f  149.616   42.107   48.607   32.539   55.647   34.826   0.2084   91.311  153.570   50.346  145.662   67.508 7.908188 84.21465 
1 1 1   15    5    0 o  532.067   23.040  533.481   43.594  500.721   51.220  619.584   83.038  504.811   26.000  559.322   38.044 -54.51093 46.07996 
1 1 1   15    5    1 o  323.468   18.319  204.176   21.500  201.808   25.932  209.385   38.456  320.890   20.708  326.046   30.224 -5.156006 36.63813 
1 1 1   15    5    2 f  652.711   23.773  845.717   58.323  859.401   73.575  822.578   95.672  660.906   28.527  644.516   38.038 16.38928 47.54679 
1 1 1   15    5    3 o  722.483   65.057  1071.92   83.491  1066.19   86.170  1159.72  337.507  735.839   30.008  709.128  126.607 26.71063 130.1149 
1 1 1   15    5    4 o  547.810   21.884  552.729   43.540  493.708   51.643  697.815   80.969  501.253   26.401  594.368   34.908 -93.11572 43.76768 
1 1 1   15    5    5 o  754.859   25.421  1143.26   72.619  1204.72   93.565  1050.14  115.166  782.081   30.657  727.637   40.558 54.44489 50.84110 
1 1 1   15    5    6 o  1138.59   38.373  2604.93  170.218  2584.19  247.321  2623.58  234.628  1133.28   55.923  1143.91   52.560 -10.62573 76.74632 
1 1 1   15    5    7 o  171.248   24.376   60.802   15.655   68.298   20.436   50.157   24.353  186.357   28.101  156.139   39.838 30.21802 48.75151 
1 1 1   15    5    8 o  146.473   36.586   34.985   26.126   53.182   40.792   22.330   34.019  165.686   54.497  127.261   48.830 38.42397 73.17300 
1 1 1   15    5    9 o  822.138   68.929  1293.60  124.929  1261.57  130.445  1648.46  434.232  796.941   41.944  847.334  131.321 -50.39325 137.8570 
1 1 1   15    5   10 f  252.278   38.090  145.064   28.514  153.472   31.317  104.301   68.956  279.240   28.739  225.315   70.552 53.92563 76.18060 
1 1 1   15    5   11 o  529.066   35.144  553.575   72.560  553.575   72.560   0.0000   0.0000  529.066   35.144  ?   ?       ?      ? 
1 1 1   15    5   12 o  460.561   55.899  519.047   59.545  540.994   63.546  361.040  170.504  523.671   31.096  397.452  107.387 126.2191 111.7986 
1 1 1   15    5   13 o  413.014   28.774  336.107   46.376  336.107   46.376   0.0000   0.0000  413.014   28.774  ?   ?       ?      ? 
1 1 1   15    5   14 o  1208.39   53.651  2949.96  252.998  2949.96  252.998   0.0000   0.0000  1208.39   53.651  ?   ?       ?      ? 
1 1 1   15    5   15 o  375.075   56.472  371.375   47.661  386.949   49.795  201.267  164.568  442.998   28.804  307.152  109.210 135.8459 112.9442 
1 1 1   15    5   16 o  118.389   31.137   28.700   14.578   28.700   14.578   0.0000   0.0000  118.389   31.137  ?   ?       ?      ? 
1 1 1   15    5   17 o  355.637   30.562  250.083   42.415  250.083   42.415   0.0000   0.0000  355.637   30.562  ?   ?       ?      ? 
1 1 1   15    5   18 o  563.368  117.981  771.534  251.068  771.534  251.068   0.0000   0.0000  563.368  117.981  ?   ?       ?      ? 
1 1 1   15    5   19 o  129.332   49.188   25.286   34.330   25.286   34.330   0.0000   0.0000  129.332   49.188  ?   ?       ?      ? 
1 1 1   15    5   20 o  412.047   99.646  414.222  158.472  414.222  158.472   0.0000   0.0000  412.047   99.646  ?   ?       ?      ? 
1 1 1   15    5   21 o  567.514   48.350  665.919  107.078  665.919  107.078   0.0000   0.0000  567.514   48.350  ?   ?       ?      ? 
1 1 1   15    5   22 o  194.391   56.476   83.052   45.388   83.052   45.388   0.0000   0.0000  194.391   56.476  ?   ?       ?      ? 
1 1 1   15    5   23 o  566.633   44.613  669.836   98.651  669.836   98.651   0.0000   0.0000  566.633   44.613  ?   ?       ?      ? 
1 1 1   15    5   24 o  163.864   44.736   52.720   37.641   68.016   40.110 -60.1688  108.965  175.402   53.626  152.326   71.621 23.07597 89.47280 
1 1 1   15    5   25 f  483.978  145.206  921.874  296.092  921.874  296.092   0.0000   0.0000  483.978  145.206  ?   ?       ?      ? 
1 1 1   15    5   26 o  362.280   56.552  348.462   62.981  357.446   69.411  306.596  149.834  411.396   43.235  313.165  104.515 98.23001 113.1048 
1 1 1   15    5   27 o  163.564   39.952   60.587   30.861   70.262   36.228   34.998   58.920  176.093   50.248  151.035   62.129 25.05788 79.90473 
1 1 1   15    5   28 o  210.759   37.912  120.572   33.614  146.659   38.883   43.407   66.874  263.417   37.825  158.102   65.716 105.3146 75.82482 
1 1 1   15    5   29 o  115.237   35.510   8.0997   26.944   7.7839   31.306   9.0021   52.915  103.776   44.151  126.698   55.629 -22.92218 71.02046 
1 1 1   15    5   30 o  244.093   39.690  128.935   37.807  128.935   37.807   0.0000   0.0000  244.093   39.690  ?   ?       ?      ? 
1 1 1   15    5   31 o  267.423   41.882  246.353   40.308  274.508   43.053   46.475  114.713  363.314   30.366  171.531   78.065 191.7831 83.76336 
1 1 1   15    5   32 o  253.348   40.560  229.333   40.323  256.182   42.514 -11.2883  127.271  349.592   31.163  157.104   74.896 192.4882 81.12048 
1 1 1   15    6    0 o  795.378   31.274  1246.59   97.070  1246.59   97.070   0.0000   0.0000  795.378   31.274  ?   ?       ?      ? 
1 1 1   15    6    1 o  401.955   20.908  322.860   31.008  333.714   38.454  302.682   52.432  412.371   23.896  391.540   34.315 20.83072 41.81567 
1 1 1   15    6    2 o  455.034   20.413  379.158   33.881  334.052   40.284  488.195   62.633  412.467   25.027  497.601   32.254 -85.13373 40.82509 
1 1 1   15    6    3 o  814.185   26.478  1306.07   80.473  1292.64   99.958  1330.81  135.661  809.881   31.627  818.490   42.473 -8.609985 52.95504 
1 1 1   15    6    4 o  324.805   42.540  176.518   37.062  161.945   39.542  281.888  106.330  286.308   35.391  363.302   77.370 -76.99448 85.08026 
1 1 1   15    6    5 o  136.827   27.237   35.630   15.626   21.560   20.596   54.715   23.987  110.596   38.697  163.057   38.341 -52.46172 54.47440 
1 1 1   15    6    6 f  531.852   53.442  528.901   66.994  512.333   70.685  675.229  210.063  509.208   35.571  554.498  100.790 -45.29001 106.8831 
1 1 1   15    6    7 o  662.112   57.056  867.603   92.661  855.066   98.200  969.410  279.833  657.147   38.293  667.078  107.496 -9.930847 114.1126 
1 1 1   15    6    8 f  949.624   87.369  2006.38  189.525  2000.69  201.187  2051.17  564.864  999.060   51.603  900.188  166.944 98.87122 174.7379 
1 1 1   15    6    9 o  884.405  166.597  1990.43  553.882   0.0000   0.0000  1990.43  553.882  ?   ?   884.405  166.597      ?      ? 
1 1 1   15    6   10 o  529.701   76.332  632.508  152.430  620.184  214.963  644.972  216.179  523.893  108.707  535.510  107.187 -11.61719 152.6635 
1 1 1   15    6   11 o  234.441   40.431  110.924   30.174  110.677   33.156  112.115   72.793  236.442   35.934  232.440   72.440 4.002243 80.86288 
1 1 1   15    6   12 o  555.075   60.998  736.010   77.886  760.956   83.241  560.606  220.727  620.203   34.393  489.946  117.048 130.2568 121.9968 
1 1 1   15    6   13 o  292.110   47.716  199.421   39.081  208.377   41.803  137.293  110.103  324.653   32.996  259.567   89.547 65.08612 95.43282 
1 1 1   15    6   14 o  521.760   34.433  539.077   70.109  539.077   70.109   0.0000   0.0000  521.760   34.433  ?   ?       ?      ? 
1 1 1   15    6   15 o  167.403   47.504   34.327   21.964   34.663   22.351   24.879  118.537  131.508   39.994  203.298   86.180 -71.78969 95.00768 
1 1 1   15    6   16 o  292.672   37.292  170.337   42.592  170.337   42.592   0.0000   0.0000  292.672   37.292  ?   ?       ?      ? 
1 1 1   15    6   17 o  206.119   46.808   88.834   36.791   88.834   36.791   0.0000   0.0000  206.119   46.808  ?   ?       ?      ? 
1 1 1   15    6   18 o  329.432   27.945  214.572   35.925  214.572   35.925   0.0000   0.0000  329.432   27.945  ?   ?       ?      ? 
1 1 1   15    6   19 o  227.330   28.915  102.509   25.652  102.509   25.652   0.0000   0.0000  227.330   28.915  ?   ?       ?      ? 
1 1 1   15    6   20 o  642.128   37.658  831.060   94.366  831.060   94.366   0.0000   0.0000  642.128   37.658  ?   ?       ?      ? 
1 1 1   15    6   21 o  376.591   30.897  283.941   45.406  283.941   45.406   0.0000   0.0000  376.591   30.897  ?   ?       ?      ? 
1 1 1   15    6   22 o  697.822   31.273  979.846   85.162  979.846   85.162   0.0000   0.0000  697.822   31.273  ?   ?       ?      ? 
1 1 1   15    6   23 o  259.823   58.569  152.645   57.965  152.645   57.965   0.0000   0.0000  259.823   58.569  ?   ?       ?      ? 
1 1 1   15    6   24 o  492.348   67.945  663.333   96.882  675.307  107.265  610.307  225.726  562.220   48.890  422.477  126.790 139.7431 135.8894 
1 1 1   15    6   25 o  154.493   68.235   8.3765   80.719   0.0000   0.0000   8.3765   80.719  ?   ?   154.493   68.235      ?      ? 
1 1 1   15    6   26 o  207.745   44.587   92.128   28.305   90.700   29.730  105.960   92.529  206.058   38.384  209.432   80.491 -3.374008 89.17445 
1 1 1   15    6   27 o  195.852   38.671  102.729   28.688  113.684   30.425   14.944   86.128  234.740   33.214  156.965   69.847 77.77531 77.34135 
1 1 1   15    6   28 o  200.749   42.033   89.513   31.872   89.513   31.872   0.0000   0.0000  200.749   42.033  ?   ?       ?      ? 
1 1 1   15    6   29 o  109.995   44.744   16.554   30.135   16.554   30.135   0.0000   0.0000  109.995   44.744  ?   ?       ?      ? 
1 1 1   15    6   30 o  209.923   45.886  101.276   36.541  101.276   36.541   0.0000   0.0000  209.923   45.886  ?   ?       ?      ? 
1 1 1   15    6   31 o  131.046   41.512   16.513   31.576   19.107   33.468  -4.4990   95.260  115.023   47.013  147.069   68.430 -32.04538 83.02306 
1 1 1   15    6   32 o  149.813   48.126   26.132   35.276   22.521   36.560   74.859  134.292  119.866   49.081  179.759   82.799 -59.89294 96.25230 
1 1 1   15    7    0 o  305.739   22.640  181.684   23.763  178.895   27.579  189.720   46.819  301.970   23.404  309.509   38.763 -7.538239 45.28028 
1 1 1   15    7    1 o  263.337   20.625  146.426   18.905  162.264   22.928  112.786   33.415  287.779   20.416  238.896   35.842 48.88223 41.24908 
1 1 1   15    7    2 o  683.922   27.705  926.670   73.940  937.351  104.696  916.042  104.439  687.901   39.001  679.943   39.360 7.958374 55.41025 
1 1 1   15    7    3 o  480.819   24.343  456.566   45.658  462.154   63.910  450.742   65.250  483.919   33.843  477.719   35.001 6.200256 48.68657 
1 1 1   15    7    4 o  990.504   34.720  1922.58  132.332  2187.04  209.402  1746.74  170.749  1045.02   51.348  935.985   46.747 109.0370 69.44028 
1 1 1   15    7    5 o  501.853   45.636  385.935   56.658  354.992   59.361  702.635  189.908  423.802   35.893  579.904   83.918 -156.1020 91.27180 
1 1 1   15    7    6 o  841.151   69.658  1318.21  127.295  1279.03  132.570  1781.22  455.769  802.362   42.339  879.940  132.727 -77.57794 139.3166 
1 1 1   15    7    7 o  291.767   40.000  201.674   34.528  218.857   38.525  131.524   77.843  333.404   29.610  250.129   74.319 83.27525 80.00053 
1 1 1   15    7    8 o  400.624   40.260  243.574   44.101  217.009   46.793  454.742  131.926  331.201   36.204  470.047   71.922 -138.8457 80.51981 
1 1 1   15    7    9 o  537.608   36.289  572.071   76.132  572.071   76.132   0.0000   0.0000  537.608   36.289  ?   ?       ?      ? 
1 1 1   15    7   10 o  255.617   35.506  162.525   30.995  200.210   36.906   72.327   57.098  318.741   29.671  192.493   64.517 126.2483 71.01288 
1 1 1   15    7   12 o  268.046   58.591  154.117   67.421  141.984  102.691  163.308   89.383  260.937   86.498  275.154   79.056 -14.21634 117.1829 
1 1 1   15    7   13 o  612.954   40.590  748.132   97.092  748.132   97.092   0.0000   0.0000  612.954   40.590  ?   ?       ?      ? 
1 1 1   15    7   14 o  100.968   33.787  -7.7775   14.400  -7.4362   14.766 -14.4163   65.124   63.142   28.443  138.794   61.296 -75.65132 67.57356 
1 1 1   15    7   15 o  124.824   44.063  -4.2984   12.818  -4.0752   12.886 -25.1489  124.553   61.597   27.232  188.051   83.813 -126.4541 88.12624 
1 1 1   15    7   16 o  380.855   48.578  292.714   72.199  292.714   72.199   0.0000   0.0000  380.855   48.578  ?   ?       ?      ? 
1 1 1   15    7   17 o  171.756   63.494   51.008   56.337   51.008   56.337   0.0000   0.0000  171.756   63.494  ?   ?       ?      ? 
1 1 1   15    7   18 o  567.473  124.943  825.281  269.199  825.281  269.199   0.0000   0.0000  567.473  124.943  ?   ?       ?      ? 
1 1 1   15    7   19 o  395.233  104.331  389.367  163.277  389.367  163.277   0.0000   0.0000  395.233  104.331  ?   ?       ?      ? 
1 1 1   15    7   20 o  289.067   31.956  167.241   36.048  167.241   36.048   0.0000   0.0000  289.067   31.956  ?   ?       ?      ? 
1 1 1   15    7   21 o  297.346   32.226  177.801   37.394  177.801   37.394   0.0000   0.0000  297.346   32.226  ?   ?       ?      ? 
1 1 1   15    7   22 o  148.363   34.000   46.300   19.264   46.300   19.264   0.0000   0.0000  148.363   34.000  ?   ?       ?      ? 
1 1 1   15    7   23 o  154.891   33.292   50.480   19.525   50.480   19.525   0.0000   0.0000  154.891   33.292  ?   ?       ?      ? 
1 1 1   15    7   24 o  205.582   46.192   86.972   22.271   87.711   22.604   62.392  130.330  208.780   27.743  202.384   88.119 6.395920 92.38317 
1 1 1   15    7   25 o  198.502   42.996   92.898   26.386   96.955   27.126   21.522  113.788  218.187   31.858  178.816   79.873 39.37108 85.99242 
1 1 1   15    7   26 o  272.633   30.806  151.605   32.775  151.605   32.775   0.0000   0.0000  272.633   30.806  ?   ?       ?      ? 
1 1 1   15    7   27 o  276.415   28.787  155.929   31.052  155.929   31.052   0.0000   0.0000  276.415   28.787  ?   ?       ?      ? 
1 1 1   15    7   28 o  215.563   32.951   96.920   27.719   96.920   27.719   0.0000   0.0000  215.563   32.951  ?   ?       ?      ? 
1 1 1   15    7   29 o  126.266   34.985   30.735   21.274   36.750   22.467 -21.4079   66.149  129.272   40.238  123.260   57.242 6.011246 69.96991 
1 1 1   15    7   30 o  216.140   40.892  134.790   31.576  144.294   33.382   54.028   97.307  262.318   32.610  169.962   75.000 92.35591 81.78314 
1 1 1   15    7   31 o  301.862   54.625  304.010   65.915  324.873   73.382  216.862  149.977  374.546   50.206  229.178   97.032 145.3677 109.2509 
1 1 1   15    8    0 o  302.884   26.535  180.844   30.847  177.789   40.006  185.325   48.444  300.103   34.160  305.665   40.613 -5.562775 53.06936 
1 1 1   15    8    1 o  175.823   32.371   66.302   22.014   74.190   26.940   50.451   38.190  190.438   37.585  161.208   52.716 29.23012 64.74258 
1 1 1   15    8    2 o  702.726   28.112  974.636   76.906  1041.96  113.671  917.808  104.438  724.888   40.183  680.564   39.324 44.32367 56.22356 
1 1 1   15    8    3 o  309.603   42.355  177.418   37.176  168.361   40.273  229.608   96.674  291.904   35.355  327.302   76.979 -35.39786 84.70998 
1 1 1   15    8    4 o  659.984   58.458  861.597   93.484  848.499   98.897  971.526  286.505  654.451   38.723  665.516  110.317 -11.06451 116.9159 
1 1 1   15    8    5 o  511.263   50.564  507.341   64.839  495.367   69.188  593.706  185.813  500.633   35.414  521.892   94.724 -21.25983 101.1280 
1 1 1   15    8    6 o  820.573   67.047  1206.94  119.743  1162.25  124.537  1754.25  435.805  764.822   41.726  876.324  127.437 -111.5015 134.0941 
1 1 1   15    8    7 o  465.223   45.941  340.490   55.781  311.012   58.876  598.976  174.344  396.159   38.084  534.287   83.618 -138.1288 91.88249 
1 1 1   15    8    8 o  657.196   57.090  755.295   88.149  720.824   92.284  1114.27  297.808  602.684   39.238  711.708  107.227 -109.0240 114.1804 
1 1 1   15    8    9 o  653.081   39.199  846.805   99.903  846.805   99.903   0.0000   0.0000  653.081   39.199  ?   ?       ?      ? 
1 1 1   15    8   10 o  536.748   38.624  571.988   80.903  571.988   80.903   0.0000   0.0000  536.748   38.624  ?   ?       ?      ? 
1 1 1   15    8   11 o  217.632   44.161   87.687   34.251   77.604   38.704  124.103   73.556  192.960   50.728  242.304   72.301 -49.34341 88.32166 
1 1 1   15    8   12 o  314.842   48.810  219.795   46.866  227.130   51.657  185.662  111.435  337.974   39.166  291.711   89.418 46.26260 97.61946 
1 1 1   15    8   13 o  302.009   53.321  200.495   59.967  208.615   72.440  182.815  106.891  314.791   61.173  289.227   87.352 25.56424 106.6415 
1 1 1   15    8   14 o  250.352   41.109   54.579   28.706   30.343   30.150  289.518   93.871  131.450   46.744  369.253   67.637 -237.8036 82.21752 
1 1 1   15    8   15 o  192.848   54.132   46.988   33.006   46.015   33.935   64.039  142.044  152.866   49.678  232.830   96.193 -79.96400 108.2641 
1 1 1   15    8   16 o  471.195   61.695  458.991  113.443  458.991  113.443   0.0000   0.0000  471.195   61.695  ?   ?       ?      ? 
1 1 1   15    8   17 o  489.337   66.096  503.382  126.216  503.382  126.216   0.0000   0.0000  489.337   66.096  ?   ?       ?      ? 
1 1 1   15    8   18 o  530.051   70.442  603.941  145.707  603.941  145.707   0.0000   0.0000  530.051   70.442  ?   ?       ?      ? 
1 1 1   15    8   19 o  489.796   68.018  519.492  130.008  519.492  130.008   0.0000   0.0000  489.796   68.018  ?   ?       ?      ? 
1 1 1   15    8   20 o  156.979   52.892   49.902   38.377   49.902   38.377   0.0000   0.0000  156.979   52.892  ?   ?       ?      ? 
1 1 1   15    8   21 o  405.718   32.495  332.073   51.449  332.073   51.449   0.0000   0.0000  405.718   32.495  ?   ?       ?      ? 
1 1 1   15    8   22 o  239.292   29.789  115.328   27.818  115.328   27.818   0.0000   0.0000  239.292   29.789  ?   ?       ?      ? 
1 1 1   15    8   23 o  146.938   31.377   45.291   17.445   45.291   17.445   0.0000   0.0000  146.938   31.377  ?   ?       ?      ? 
1 1 1   15    8   24 o  127.981   31.214   34.516   15.450   34.516   15.450   0.0000   0.0000  127.981   31.214  ?   ?       ?      ? 
1 1 1   15    8   26 o  709.670   31.950  1033.63   88.483  1033.63   88.483   0.0000   0.0000  709.670   31.950  ?   ?       ?      ? 
1 1 1   15    8   27 o  168.860   40.426   63.403   21.898   65.597   22.468   21.811   97.831  174.905   34.143  162.814   73.289 12.09079 80.85159 
1 1 1   15    8   28 o  124.726   38.276   16.990   17.365   16.493   17.793   26.960   79.700   96.196   35.659  153.255   67.739 -57.05869 76.55176 
1 1 1   15    8   29 o  215.258   41.515  131.076   29.116  137.237   30.268   54.682  106.579  257.223   30.154  173.292   77.361 83.93010 83.03024 
1 1 1   15    8   30 o  216.299   43.386  131.090   34.532  138.122   36.524   71.873  105.997  254.027   36.844  178.570   78.561 75.45737 86.77119 
1 1 1   15    8   31 o  103.426   36.762 -35.3829   21.552 -38.5322   22.238   13.306   87.439   59.036   28.885  147.817   67.613 -88.78134 73.52430 
1 1 1   15    9    0 o  109.273   25.723   15.982   14.634   40.323   21.696  -4.3373   19.822  140.455   38.456   78.092   34.173 62.36302 51.44619 
1 1 1   15    9    1 o  685.068   64.970  943.476  100.659  928.192  106.077  1081.70  319.009  684.138   39.733  685.997  123.717 -1.858276 129.9404 
1 1 1   15    9    2 o  619.236   38.171  759.548   92.241  759.548   92.241   0.0000   0.0000  619.236   38.171  ?   ?       ?      ? 
1 1 1   15    9    3 o  974.588   47.364  1896.98  180.136  1896.98  180.136   0.0000   0.0000  974.588   47.364  ?   ?       ?      ? 
1 1 1   15    9    4 f  193.264   42.707   58.494   30.287   44.541   33.797  115.394   68.250  151.649   49.592  234.878   69.544 -83.22878 85.41453 
1 1 1   15    9    5 o  991.336   82.957  1945.73  174.534  1896.50  181.754  2528.70  625.425  973.888   47.824  1008.78  158.871 -34.89502 165.9132 
1 1 1   15    9    6 o  440.013   49.608  331.443   57.121  306.674   60.812  517.082  166.485  393.048   39.647  486.979   90.951 -93.93109 99.21656 
1 1 1   15    9    7 o  178.699   31.894   71.735   24.227   96.369   29.749   23.218   41.749  220.754   34.533  136.644   53.631 84.11024 63.78740 
1 1 1   15    9    8 o  165.466   37.163   52.849   25.548   50.349   30.765   58.401   45.855  157.423   46.710  173.510   57.814 -16.08743 74.32607 
1 1 1   15    9    9 o  588.220   39.663  687.740   91.045  687.740   91.045   0.0000   0.0000  588.220   39.663  ?   ?       ?      ? 
1 1 1   15    9   10 o  343.445   48.631  237.173   52.506  229.701   58.758  266.786  116.976  339.058   44.408  347.832   86.532 -8.774353 97.26151 
1 1 1   15    9   11 o  999.517   46.978  2003.04  183.238  2003.04  183.238   0.0000   0.0000  999.517   46.978  ?   ?       ?      ? 
1 1 1   15    9   12 o  262.140   51.351  144.846   47.767  145.801   53.659  141.196  104.849  264.087   53.892  260.194   87.426 3.892548 102.7020 
1 1 1   15    9   13 o  502.160   52.154  414.574   87.457  304.732   98.427  826.578  190.625  378.380   69.209  625.939   78.040 -247.5591 104.3074 
1 1 1   15    9   14 o  810.346   86.402  1416.80  273.230  1416.80  273.230   0.0000   0.0000  810.346   86.402  ?   ?       ?      ? 
1 1 1   15    9   15 o  194.183   56.231   42.380   33.755   41.129   34.555   68.481  157.800  147.257   50.186  241.109  100.644 -93.85133 112.4630 
1 1 1   15    9   16 o  317.977   87.773  231.239  112.487  231.239  112.487   0.0000   0.0000  317.977   87.773  ?   ?       ?      ? 
1 1 1   15    9   17 o  185.618   60.317   71.099   50.026   71.099   50.026   0.0000   0.0000  185.618   60.317  ?   ?       ?      ? 
1 1 1   15    9   18 o  243.489   60.152  129.732   56.822  129.732   56.822   0.0000   0.0000  243.489   60.152  ?   ?       ?      ? 
1 1 1   15    9   19 o  358.837  102.208  333.430  150.033  333.430  150.033   0.0000   0.0000  358.837  102.208  ?   ?       ?      ? 
1 1 1   15    9   20 o  190.723   63.924   78.686   56.052   78.686   56.052   0.0000   0.0000  190.723   63.924  ?   ?       ?      ? 
1 1 1   15    9   21 o  145.746   54.944   37.877   42.593   37.877   42.593   0.0000   0.0000  145.746   54.944  ?   ?       ?      ? 
1 1 1   15    9   22 o  361.135   31.347  264.089   44.177  264.089   44.177   0.0000   0.0000  361.135   31.347  ?   ?       ?      ? 
1 1 1   15    9   23 o  184.248   53.699   31.677   14.780   30.556   14.842  166.407  162.715  120.533   31.282  247.963  102.742 -127.4307 107.3983 
1 1 1   15    9   24 o  373.987   60.563  422.290   57.570  433.612   60.036  292.906  202.954  460.422   33.413  287.552  116.426 172.8702 121.1260 
1 1 1   15    9   25 o  190.445   86.713   30.847  141.738   0.0000   0.0000   30.847  141.738  ?   ?   190.445   86.713      ?      ? 
1 1 1   15    9   26 o  263.882   53.620  136.988   30.888  131.065   31.597  264.473  146.591  252.115   32.116  275.650  102.318 -23.53487 107.2400 
1 1 1   15    9   27 o  130.968   35.895   33.874   17.752   37.980   18.044 -89.9886   99.109  132.199   34.581  129.736   62.913 2.463486 71.79015 
1 1 1   15    9   28 o  153.840   37.905   55.439   22.233   60.028   22.930 -16.5988   90.856  165.322   36.516  142.358   66.435 22.96361 75.80962 
1 1 1   15    9   29 o  170.239   45.736   47.163   21.688   43.981   22.164  118.795  105.170  140.409   39.038  200.069   82.724 -59.66005 91.47251 
1 1 1   15    9   30 o  199.174   49.020  112.957   45.187  120.999   49.071   68.100  115.898  220.402   56.721  177.946   79.965 42.45572 98.03937 
1 1 1   15    9   31 o  189.482   53.316   78.921   46.389   58.429   50.745  183.128  114.434  156.355   59.723  222.609   88.338 -66.25462 106.6323 
1 1 1   15   10    0 o  738.350   94.638  1278.19  266.781  1389.15  387.338  1178.04  367.977  777.354  127.685  699.347  139.721 78.00671 189.2763 
1 1 1   15   10    1 o  489.367   73.217  536.445  135.503  494.518  189.844  579.987  193.469  467.693  106.413  511.041  100.593 -43.34763 146.4332 
1 1 1   15   10    2 o  607.275   60.711  757.642   87.864  749.440   93.382  820.953  259.454  614.643   38.932  599.907  115.012 14.73517 121.4227 
1 1 1   15   10    3 o  230.068   46.119  109.265   39.965  109.265   39.965   0.0000   0.0000  230.068   46.119  ?   ?       ?      ? 
1 1 1   15   10    4 o  227.254   34.986  124.182   29.646  156.453   35.757   53.223   53.022  281.493   32.551  173.016   61.939 108.4765 69.97131 
1 1 1   15   10    5 o  212.638   47.145   93.841   38.095   93.841   38.095   0.0000   0.0000  212.638   47.145  ?   ?       ?      ? 
1 1 1   15   10    6 o  421.461   37.590  352.283   61.825  352.283   61.825   0.0000   0.0000  421.461   37.590  ?   ?       ?      ? 
1 1 1   15   10    7 o  377.715   37.762  283.078   55.660  283.078   55.660   0.0000   0.0000  377.715   37.762  ?   ?       ?      ? 
1 1 1   15   10    8 o  501.726   55.566  515.945   73.871  508.414   79.850  560.660  194.561  505.470   40.481  497.981  103.496 7.488861 111.1311 
1 1 1   15   10    9 o  280.505   51.135  162.948   53.913  162.948   53.913   0.0000   0.0000  280.505   51.135  ?   ?       ?      ? 
1 1 1   15   10   10 o  633.359   42.239  800.318  104.399  800.318  104.399   0.0000   0.0000  633.359   42.239  ?   ?       ?      ? 
1 1 1   15   10   11 o  378.196   57.722  321.335   81.515  357.559  102.561  259.200  134.322  417.510   62.948  338.881   96.772 78.62872 115.4439 
1 1 1   15   10   12 f  608.239   87.734  888.097  201.196  969.706  287.176  809.425  281.964  640.879  119.214  575.598  128.752 65.28076 175.4676 
1 1 1   15   10   13 o  733.575  147.141  1390.13  406.565  1390.13  406.565   0.0000   0.0000  733.575  147.141  ?   ?       ?      ? 
1 1 1   15   10   14 o  501.899   82.893  615.379  159.191  645.810  215.277  578.661  236.474  523.055  109.003  480.743  124.913 42.31186 165.7854 
1 1 1   15   10   15 o  331.450  124.580  261.299  218.659   0.0000   0.0000  261.299  218.659  ?   ?   331.450  124.580      ?      ? 
1 1 1   15   10   16 o  173.065   55.993   61.151   43.140   61.151   43.140   0.0000   0.0000  173.065   55.993  ?   ?       ?      ? 
1 1 1   15   10   17 o  202.985   62.152   88.676   53.855   88.676   53.855   0.0000   0.0000  202.985   62.152  ?   ?       ?      ? 
1 1 1   15   10   18 o  106.209   42.747   12.036   27.184   12.036   27.184   0.0000   0.0000  106.209   42.747  ?   ?       ?      ? 
1 1 1   15   10   19 f  108.896   44.368   11.659   29.690   11.659   29.690   0.0000   0.0000  108.896   44.368  ?   ?       ?      ? 
1 1 1   15   10   20 o  250.348   73.274  149.440   76.152  149.440   76.152   0.0000   0.0000  250.348   73.274  ?   ?       ?      ? 
1 1 1   15   10   21 o  368.496   79.665  334.713  111.222  334.713  111.222   0.0000   0.0000  368.496   79.665  ?   ?       ?      ? 
1 1 1   15   10   22 o  219.675   89.923  108.211  122.679  108.211  122.679   0.0000   0.0000  219.675   89.923  ?   ?       ?      ? 
1 1 1   15   10   23 o  226.380   95.568  119.471  144.808   0.0000   0.0000  119.471  144.808  ?   ?   226.380   95.568      ?      ? 
1 1 1   15   10   24 f  417.795   66.045  506.539   64.626  509.873   67.357  467.908  229.281  497.673   34.682  337.917  127.455 159.7565 132.0899 
1 1 1   15   10   25 o  143.555   44.406   27.360   15.091   28.247   15.155 -77.4071  164.780  115.466   32.343  171.643   82.713 -56.17741 88.81207 
1 1 1   15   10   26 o  265.473   62.459  211.915   70.720  205.576   79.604  235.656  154.044  278.495   72.529  252.451  101.706 26.04341 124.9177 
1 1 1   15   10   27 o  128.741   42.502 -13.4641   38.823 -20.0710   42.589   19.013   94.426  100.382   46.375  157.101   71.239 -56.71938 85.00340 
1 1 1   15   10   28 o  212.057   48.544  134.595   48.874  152.843   53.763   47.722  117.305  250.328   56.389  173.787   79.034 76.54115 97.08829 
1 1 1   15   10   29 o  111.081   37.739 -46.5692   35.891 -60.4209   40.407   5.2248   78.134   80.697   39.365  141.465   64.400 -60.76853 75.47772 
1 1 1   15   10   30 o  177.040   39.471   80.762   24.692   85.179   25.324  -4.3611  111.168  201.129   32.265  152.952   72.047 48.17639 78.94169 
1 1 1   15   11    0 o  410.699   48.679  360.685   56.495  365.302   62.225  339.021  134.792  429.277   37.144  392.121   89.994 37.15640 97.35808 
1 1 1   15   11    1 o  566.272   56.918  611.234   78.874  590.391   83.693  776.709  235.822  545.207   39.337  587.337  106.823 -42.13080 113.8358 
1 1 1   15   11    2 o  670.923   87.372  1037.94  223.279  905.814  305.178  1190.14  327.534  615.237  131.119  726.608  115.511 -111.3704 174.7430 
1 1 1   15   11    3 o  523.271   76.652  622.780  151.364  644.215  216.478  602.277  211.722  532.683  107.839  513.859  108.962 18.82336 153.3033 
1 1 1   15   11    4 o  927.670   88.446  1938.53  177.674  1929.43  187.379  2019.60  559.351  980.574   48.967  874.765  169.980 105.8087 176.8927 
1 1 1   15   11    5 o  145.926   35.705   38.664   25.533   52.035   33.665   20.556   39.177  160.561   49.136  131.291   51.818 29.27029 71.41074 
1 1 1   15   11    6 o  574.682   55.868  811.266  102.386  1099.52  132.162  378.604  161.919  741.311   45.685  408.053  101.970 333.2584 111.7362 
1 1 1   15   11    7 o  513.698   43.743  527.077   87.690  527.077   87.690   0.0000   0.0000  513.698   43.743  ?   ?       ?      ? 
1 1 1   15   11    8 o  429.022   54.217  361.024   71.062  341.104   78.909  446.508  163.465  411.921   49.088  446.122   96.686 -34.20142 108.4332 
1 1 1   15   11    9 o  326.600   78.722  232.674   99.157  232.674   99.157   0.0000   0.0000  326.600   78.722  ?   ?       ?      ? 
1 1 1   15   11   10 o  498.069   73.323  518.386  142.516  518.386  142.516   0.0000   0.0000  498.069   73.323  ?   ?       ?      ? 
1 1 1   15   11   11 o  706.544   82.427  1065.24  227.270  1065.24  227.270   0.0000   0.0000  706.544   82.427  ?   ?       ?      ? 
1 1 1   15   11   12 o  524.042   69.695  573.846  142.527  573.846  142.527   0.0000   0.0000  524.042   69.695  ?   ?       ?      ? 
1 1 1   15   11   13 o  173.044   57.014   59.620   44.640   59.620   44.640   0.0000   0.0000  173.044   57.014  ?   ?       ?      ? 
1 1 1   15   11   14 o  609.100   73.079  791.689  173.704  791.689  173.704   0.0000   0.0000  609.100   73.079  ?   ?       ?      ? 
1 1 1   15   11   15 o  551.025  121.625  779.768  254.531  779.768  254.531   0.0000   0.0000  551.025  121.625  ?   ?       ?      ? 
1 1 1   15   11   16 o  118.199   44.873   21.296   28.537   21.296   28.537   0.0000   0.0000  118.199   44.873  ?   ?       ?      ? 
1 1 1   15   11   17 o  322.187   94.020  257.706  125.545  257.706  125.545   0.0000   0.0000  322.187   94.020  ?   ?       ?      ? 
1 1 1   15   11   18 o  325.184   91.427  266.538  120.862  266.538  120.862   0.0000   0.0000  325.184   91.427  ?   ?       ?      ? 
1 1 1   15   11   19 o  218.714   73.661  110.354   74.434  110.354   74.434   0.0000   0.0000  218.714   73.661  ?   ?       ?      ? 
1 1 1   15   11   21 f  272.872   85.834  196.059  101.935  196.059  101.935   0.0000   0.0000  272.872   85.834  ?   ?       ?      ? 
1 1 1   15   11   22 o  304.778   94.417  261.832  123.870  261.832  123.870   0.0000   0.0000  304.778   94.417  ?   ?       ?      ? 
1 1 1   15   11   23 o  172.668   52.411   39.343   61.065   42.014   74.789   33.999  105.769  166.531   69.381  178.806   78.574 -12.27513 104.8223 
1 1 1   15   11   24 o  247.088   65.569  182.877   86.391  198.790  102.743  144.478  159.605  265.178   86.454  228.998   98.606 36.17964 131.1389 
1 1 1   15   11   25 o  153.242   43.649   40.209   17.852   41.560   17.972 -60.3005  155.020  138.954   33.528  167.530   80.603 -28.57588 87.29852 
1 1 1   15   11   26 o  151.438   42.942   29.525   15.445   28.074   15.637   87.583   98.929  114.440   33.121  188.436   79.240 -73.99552 85.88353 
1 1 1   15   11   27 o  285.650   47.569  273.183   44.437  289.652   46.647  111.604  146.108  372.352   32.102  198.949   89.558 173.4029 95.13776 
1 1 1   15   11   28 o  394.848   56.369  597.906   71.024  641.081   75.792  286.726  203.473  549.605   35.338  240.091  107.058 309.5140 112.7390 
1 1 1   15   11   29 f  139.756   38.982   35.456   18.144   36.386   18.498   11.864   93.161  128.490   35.642  151.022   69.340 -22.53229 77.96362 
1 1 1   15   11   30 o  350.379   58.541  296.084   40.183  284.209   41.261  514.300  176.877  369.772   28.594  330.987  113.538 38.78488 117.0829 
1 1 1   15   12    0 o  167.395   38.058   54.917   29.701   76.279   39.557   27.308   44.970  191.385   51.731  143.404   55.836 47.98083 76.11626 
1 1 1   15   12    1 o  706.959   46.167  1000.53  127.366  1000.53  127.366   0.0000   0.0000  706.959   46.167  ?   ?       ?      ? 
1 1 1   15   12    2 o  155.701   37.646   24.226   25.660   89.850   53.542   4.6599   29.236  207.851   61.609  103.550   43.281 104.3008 75.29182 
1 1 1   15   12    3 o  166.501   41.840   50.077   33.951   53.923   44.230   44.561   52.972  167.850   56.781  165.152   61.466 2.697495 83.67904 
1 1 1   15   12    4 o  769.625  104.876  1485.21  303.351  1373.46  419.719  1607.43  438.931  735.040  151.365  804.210  145.204 -69.16986 209.7514 
1 1 1   15   12    5 o  376.956   61.920  310.215   89.859  390.318  133.372  243.628  121.601  423.171   83.729  330.740   91.245 92.43106 123.8391 
1 1 1   15   12    6 o  469.992   58.194  419.769   81.415  388.398   89.425  571.722  196.812  438.629   52.243  501.354  104.004 -62.72498 116.3881 
1 1 1   15   12    7 o  717.484   48.351  1034.72  135.379  1034.72  135.379   0.0000   0.0000  717.484   48.351  ?   ?       ?      ? 
1 1 1   15   12    8 o  567.290  116.204  755.664  248.601  755.664  248.601   0.0000   0.0000  567.290  116.204  ?   ?       ?      ? 
1 1 1   15   12    9 o  435.691   80.576  412.754  131.953  412.754  131.953   0.0000   0.0000  435.691   80.576  ?   ?       ?      ? 
1 1 1   15   12   10 o  461.894   63.659  492.813  107.798  562.019  137.958  384.316  172.737  519.767   68.015  404.021  107.627 115.7463 127.3173 
1 1 1   15   12   11 o  264.753   55.986  159.795   64.143  192.895   78.699   94.296  110.707  298.464   68.956  231.042   88.222 67.42163 111.9730 
1 1 1   15   12   12 o  145.957   42.979   19.511   37.754   37.121   41.944 -55.6520   86.653  148.498   54.808  143.415   66.218 5.082748 85.95824 
1 1 1   15   12   13 o  547.262   76.457  757.781  148.175  840.682  181.590  592.602  256.325  625.619   74.379  468.905  133.606 156.7147 152.9140 
1 1 1   15   12   14 o  358.720   66.811  302.969   83.961  306.201   93.437  289.419  191.333  381.093   62.829  336.347  117.931 44.74588 133.6229 
1 1 1   15   12   15 o  232.943   62.461  107.966   55.115  115.871   56.794 -19.8375  228.361  229.705   61.942  236.182  108.484 -6.476700 124.9228 
1 1 1   15   12   16 o  133.579   49.781   30.143   34.769   30.143   34.769   0.0000   0.0000  133.579   49.781  ?   ?       ?      ? 
1 1 1   15   12   17 o  249.602   67.045  142.441   66.692  142.441   66.692   0.0000   0.0000  249.602   67.045  ?   ?       ?      ? 
1 1 1   15   12   18 o  283.237   98.443  214.739  133.185  214.739  133.185   0.0000   0.0000  283.237   98.443  ?   ?       ?      ? 
1 1 1   15   12   19 f  118.510   48.828   13.892   36.466   13.892   36.466   0.0000   0.0000  118.510   48.828  ?   ?       ?      ? 
1 1 1   15   12   20 o  266.483   99.336  200.884  138.460  200.884  138.460   0.0000   0.0000  266.483   99.336  ?   ?       ?      ? 
1 1 1   15   12   21 o  155.417   59.484   44.918   50.405   44.918   50.405   0.0000   0.0000  155.417   59.484  ?   ?       ?      ? 
1 1 1   15   12   22 o  190.593   69.713   82.219   67.634   82.219   67.634   0.0000   0.0000  190.593   69.713  ?   ?       ?      ? 
1 1 1   15   12   23 o  159.637   49.228   19.664   55.116   2.2643   68.229   52.344   93.506  140.089   62.260  179.186   76.271 -39.09767 98.45597 
1 1 1   15   12   24 o  261.919   68.311  224.348   91.373  226.571  109.868  219.362  164.555  274.515   89.397  249.323  103.314 25.19257 136.6220 
1 1 1   15   12   25 f  164.564   54.724 -20.1210   89.463   52.336  134.749 -77.2358  119.635  184.006   84.077  145.122   70.070 38.88383 109.4478 
1 1 1   15   12   26 o  157.428   40.996   47.946   19.278   48.290   19.651   39.133   99.366  148.795   34.512  166.061   74.374 -17.26541 81.99148 
1 1 1   15   12   27 o  147.505   41.927   36.887   18.986   37.106   19.282   29.912  108.745  129.874   36.519  165.136   75.484 -35.26221 83.85409 
1 1 1   15   12   28 o  114.572   37.408   12.249   12.995   12.814   13.106 -20.5875   99.881   84.380   30.715  144.763   68.220 -60.38309 74.81601 
1 1 1   15   12   29 o  150.492   69.179   14.288   93.109   0.0000   0.0000   14.288   93.109  ?   ?   150.492   69.179      ?      ? 
1 1 1   15   13    0 o  432.951   51.305  378.650   66.722  367.710   74.149  425.197  152.951  428.787   44.313  437.114   92.548 -8.326996 102.6101 
1 1 1   15   13    1 o  124.974   52.043   8.6975   42.051   8.6975   42.051   0.0000   0.0000  124.974   52.043  ?   ?       ?      ? 
1 1 1   15   13    2 o  480.219   53.657  533.644   76.737  569.589   87.271  411.120  161.124  534.340   41.852  426.098   98.817 108.2417 107.3148 
1 1 1   15   13    3 o  591.567   61.154  795.850   98.992  819.330  109.212  687.717  234.368  640.173   43.716  542.961  114.230 97.21216 122.3090 
1 1 1   15   13    4 o  333.807   47.677  236.360   61.156  341.544   88.923  141.960   84.242  410.224   55.547  257.390   77.504 152.8340 95.35381 
1 1 1   15   13    5 o  488.484   56.987  485.575  108.631  485.575  108.631   0.0000   0.0000  488.484   56.987  ?   ?       ?      ? 
1 1 1   15   13    6 o  389.796   93.758  342.771  140.876   0.0000   0.0000  342.771  140.876  ?   ?   389.796   93.758      ?      ? 
1 1 1   15   13    7 o  289.900   57.833  184.371   68.617  160.080   96.129  209.605   97.977  271.327   83.030  308.472   80.527 -37.14496 115.6659 
1 1 1   15   13    8 o  222.267   50.720  101.781   49.815   94.164   66.525  111.505   75.161  213.934   69.558  230.600   73.835 -16.66614 101.4392 
1 1 1   15   13    9 o  594.177   81.822  758.904  189.723  758.904  189.723   0.0000   0.0000  594.177   81.822  ?   ?       ?      ? 
1 1 1   15   13   10 f  619.461   77.214  924.722  171.521  999.990  216.542  797.979  280.997  680.126   81.587  558.796  131.117 121.3300 154.4281 
1 1 1   15   13   11 o  237.010   57.527  117.068   60.724  120.896   71.461  107.123  115.186  236.187   71.442  237.832   90.186 -1.645630 115.0542 
1 1 1   15   13   12 o  168.614   47.940   41.146   41.930   52.064   45.892 -14.0201  103.162  165.098   57.764  172.131   76.526 -7.032745 95.87932 
1 1 1   15   13   13 o  248.140   60.749  136.256   64.869  146.667   71.624   88.740  153.012  256.553   69.719  239.727   99.505 16.82639 121.4989 
1 1 1   15   13   14 o  316.447   63.423   98.250   52.027   64.374   54.020  531.914  193.282  179.391   62.676  453.502  110.280 -274.1109 126.8458 
1 1 1   15   13   15 o  221.511   67.789   58.580   64.622   53.204   67.227  123.956  234.431  176.439   68.388  266.582  117.067 -90.14275 135.5789 
1 1 1   15   13   16 o  194.769   62.576   83.165   53.951   83.165   53.951   0.0000   0.0000  194.769   62.576  ?   ?       ?      ? 
1 1 1   15   13   17 o  264.062   92.138  179.128  116.725  179.128  116.725   0.0000   0.0000  264.062   92.138  ?   ?       ?      ? 
1 1 1   15   13   18 o  197.328   65.963   88.096   59.684   88.096   59.684   0.0000   0.0000  197.328   65.963  ?   ?       ?      ? 
1 1 1   15   13   19 o  256.799   75.076  163.245   79.985  163.245   79.985   0.0000   0.0000  256.799   75.076  ?   ?       ?      ? 
1 1 1   15   13   20 o  247.802   98.491  167.814  142.455  167.814  142.455   0.0000   0.0000  247.802   98.491  ?   ?       ?      ? 
1 1 1   15   13   21 o  177.001   82.931 -33.4625  143.927 -33.4625  143.927   0.0000   0.0000  177.001   82.931  ?   ?       ?      ? 
1 1 1   15   13   22 o  236.551   61.080  156.250   75.731  181.629   93.415  107.590  129.349  259.135   82.245  213.968   90.325 45.16699 122.1595 
1 1 1   15   13   23 o  186.491   55.243   72.488   67.588   88.140   84.152   44.041  113.451  192.562   75.962  180.420   80.229 12.14259 110.4854 
1 1 1   15   13   24 o  192.244   85.960   77.577  132.158   0.0000   0.0000   77.577  132.158  ?   ?   192.244   85.960      ?      ? 
1 1 1   15   13   25 o  153.574   50.952 -15.1488   77.793 -45.2353  114.903   10.313  105.703  148.151   70.776  158.996   73.316 -10.84531 101.9039 
1 1 1   15   13   26 o  215.725   65.506  162.389  100.714  123.946  149.806  194.094  136.049  202.132   90.867  229.317   94.378 -27.18439 131.0111 
1 1 1   15   13   27 o  234.534   46.183  159.214   34.493  163.671   35.582   89.738  140.489  279.213   32.656  189.856   86.400 89.35748 92.36531 
1 1 1   15   13   28 o  127.481   40.474   17.639   15.317   17.456   15.480   26.156  105.880   94.784   33.517  160.179   73.683 -65.39561 80.94810 
1 1 1   15   14    0 o  413.814   53.119  326.761   68.809  299.480   76.687  439.442  155.854  384.968   51.047  442.659   93.171 -57.69168 106.2382 
1 1 1   15   14    1 o  316.901   49.735  202.602   61.506  202.602   61.506   0.0000   0.0000  316.901   49.735  ?   ?       ?      ? 
1 1 1   15   14    2 o  438.167   52.673  378.336   74.667  351.917   84.655  470.896  158.453  416.959   52.027  459.374   91.603 -42.41467 105.3464 
1 1 1   15   14    3 o  247.444   50.864  132.601   51.872  142.842   66.950  117.222   82.048  257.978   66.179  236.910   77.259 21.06822 101.7279 
1 1 1   15   14    4 o  582.539   52.706  688.320  119.816  688.320  119.816   0.0000   0.0000  582.539   52.706  ?   ?       ?      ? 
1 1 1   15   14    5 o  141.754   38.904   27.235   30.736   32.948   45.458   22.424   41.717  148.203   56.546  135.305   53.449 12.89778 77.80898 
1 1 1   15   14    6 o  624.416  128.336  965.326  302.267  965.326  302.267   0.0000   0.0000  624.416  128.336  ?   ?       ?      ? 
1 1 1   15   14    7 o  520.705   67.815  625.048  130.329  678.053  169.068  547.422  204.600  563.871   76.833  477.539  111.769 86.33170 135.6302 
1 1 1   15   14    8 o  509.115   77.128  555.774  153.236  555.774  153.236   0.0000   0.0000  509.115   77.128  ?   ?       ?      ? 
1 1 1   15   14    9 o  181.668   56.017   15.209   56.242   24.239  144.027   13.584   61.092  214.799   93.077  148.536   62.356 66.26279 112.0338 
1 1 1   15   14   10 o  342.035   76.120  291.565  114.105  251.498  180.355  318.307  147.343  321.033  114.308  363.037  100.552 -42.00394 152.2404 
1 1 1   15   14   11 o  412.581   82.770  446.392  140.003  410.734  202.140  479.267  194.095  392.842  120.434  432.319  113.575 -39.47702 165.5401 
1 1 1   15   14   12 o  118.349   40.191 -94.8899   53.684 -77.4190   70.591 -118.8529   82.673  117.672   56.010  119.025   57.657 -1.353027 80.38264 
1 1 1   15   14   13 o  240.100   66.016  120.179   87.489  130.913  108.861  100.599  147.025  242.570   88.487  237.629   97.992 4.941330 132.0312 
1 1 1   15   14   14 o  279.718   72.673  171.215   90.793  139.702  103.210  279.053  190.924  244.850   86.547  314.586  116.770 -69.73593 145.3466 
1 1 1   15   14   15 o  186.238   62.884 -18.4989   48.164 -26.1542   49.286  143.901  227.003  110.387   50.591  262.090  115.143 -151.7030 125.7674 
1 1 1   15   14   16 o  350.226  104.515  346.621  153.699  346.621  153.699   0.0000   0.0000  350.226  104.515  ?   ?       ?      ? 
1 1 1   15   14   17 o  132.565   61.673 -43.1765   77.332 -43.1765   77.332   0.0000   0.0000  132.565   61.673  ?   ?       ?      ? 
1 1 1   15   14   18 o  262.737   96.653  192.256  130.274  192.256  130.274   0.0000   0.0000  262.737   96.653  ?   ?       ?      ? 
1 1 1   15   14   19 o  218.556   90.714  106.139  127.166  106.139  127.166   0.0000   0.0000  218.556   90.714  ?   ?       ?      ? 
1 1 1   15   14   20 f  171.563   80.423 -38.5567  135.649 -38.5567  135.649   0.0000   0.0000  171.563   80.423  ?   ?       ?      ? 
1 1 1   15   14   21 o  164.502   79.157 -92.0285  149.628 -92.0285  149.628   0.0000   0.0000  164.502   79.157  ?   ?       ?      ? 
1 1 1   15   14   22 o  261.965   65.801  220.928   90.895  267.673  114.427  140.993  149.633  300.824   90.271  223.105   95.760 77.71953 131.6015 
1 1 1   15   14   23 o  227.690   61.741  162.660   83.206  207.528  103.562   80.956  139.751  260.254   86.891  195.126   87.736 65.12762 123.4814 
1 1 1   15   14   24 o  194.514   57.454   98.117   79.826  151.992   97.936  -8.5257  137.788  222.305   83.411  166.722   79.034 55.58386 114.9079 
1 1 1   15   14   25 o  165.269   55.011   2.6987   91.463   30.005  130.913 -23.3393  127.838  172.471   80.239  158.068   75.275 14.40265 110.0210 
1 1 1   15   14   26 o  211.625   80.820  137.247   92.919  137.247   92.919   0.0000   0.0000  211.625   80.820  ?   ?       ?      ? 
1 1 1   15   14   27 o  225.820   83.508  167.178   97.467  167.178   97.467   0.0000   0.0000  225.820   83.508  ?   ?       ?      ? 
1 1 1   15   14   28 f  325.146   32.728  224.020   41.527  224.020   41.527   0.0000   0.0000  325.146   32.728  ?   ?       ?      ? 
1 1 1   15   15    0 o  157.762   42.691   37.617   36.907   26.980   54.771   46.464   49.950  151.949   60.846  163.575   59.898 -11.62585 85.38180 
1 1 1   15   15    1 o  261.101   67.102  147.529   68.742  147.529   68.742   0.0000   0.0000  261.101   67.102  ?   ?       ?      ? 
1 1 1   15   15    2 o  268.088   55.101  145.402   61.054   99.904   77.232  221.212   99.692  221.083   75.030  315.093   80.716 -94.01006 110.2026 
1 1 1   15   15    3 f  167.520   40.382   41.851   33.657   92.931   53.253   7.8759   43.431  209.518   61.261  125.523   52.629 83.99424 80.76335 
1 1 1   15   15    4 o  310.894   61.825  219.472   78.147  215.333  112.047  223.393  109.048  307.797   88.536  313.991   86.318 -6.193207 123.6506 
1 1 1   15   15    5 o  221.488   51.137   98.689   52.030  139.093   76.971   64.692   70.605  252.096   73.633  190.880   70.978 61.21513 102.2731 
1 1 1   15   15    6 o  196.621   46.205   65.131   46.394  133.547   67.717   4.6117   63.689  247.353   68.030  145.889   62.543 101.4644 92.41021 
1 1 1   15   15    7 o  805.529  105.066  1529.50  330.274  1529.50  330.274   0.0000   0.0000  805.529  105.066  ?   ?       ?      ? 
1 1 1   15   15    8 o  705.793   87.298  1221.93  221.000  1119.83  268.603  1435.90  388.834  691.898   99.480  719.687  143.483 -27.78894 174.5955 
1 1 1   15   15    9 o  320.739   73.320  263.567  114.455  119.112  189.231  346.901  143.726  263.102  110.052  378.376   96.911 -115.2739 146.6394 
1 1 1   15   15   10 o  192.754   53.132   58.257   50.777   50.645   58.125   82.786  104.339  170.221   64.181  215.286   84.693 -45.06508 106.2644 
1 1 1   15   15   11 o  343.269   67.780  297.545   92.222  308.593  112.364  274.743  161.426  363.258   81.294  323.280  108.480 39.97745 135.5603 
1 1 1   15   15   12 o  145.744   45.804   8.9323   36.083   11.584   38.344 -11.5786  106.650  120.196   49.845  171.292   76.861 -51.09540 91.60822 
1 1 1   15   15   13 o  174.414   52.968   35.119   44.556   37.259   46.945   15.682  141.490  149.434   57.356  199.394   89.066 -49.95995 105.9358 
1 1 1   15   15   14 o  254.876   71.619  145.141   93.184  126.338  105.572  211.454  198.261  232.493   86.725  277.259  113.999 -44.76663 143.2378 
1 1 1   15   15   15 o  210.428   65.030   70.969   80.835   83.340   85.846 -25.7947  240.100  200.118   77.360  220.738  104.550 -20.61960 130.0592 
1 1 1   15   15   16 o  203.697   80.274   87.894   93.887   87.894   93.887   0.0000   0.0000  203.697   80.274  ?   ?       ?      ? 
1 1 1   15   15   17 o  138.993   64.163 -32.6867   81.296 -32.6867   81.296   0.0000   0.0000  138.993   64.163  ?   ?       ?      ? 
1 1 1   15   15   18 o   86.801   40.065 -20.6145   31.681 -20.6145   31.681   0.0000   0.0000   86.801   40.065  ?   ?       ?      ? 
1 1 1   15   15   19 o  128.644   54.741   12.394   48.141   12.394   48.141   0.0000   0.0000  128.644   54.741  ?   ?       ?      ? 
1 1 1   15   15   20 o  178.932   67.535   70.258   64.402   70.258   64.402   0.0000   0.0000  178.932   67.535  ?   ?       ?      ? 
1 1 1   15   15   21 o  187.630   89.368 -12.8508  180.355 -12.8508  180.355   0.0000   0.0000  187.630   89.368  ?   ?       ?      ? 
1 1 1   15   15   22 o  202.261   96.267   66.955  208.480   66.955  208.480   0.0000   0.0000  202.261   96.267  ?   ?       ?      ? 
1 1 1   15   15   23 o  194.859   77.584  103.315   88.537  103.315   88.537   0.0000   0.0000  194.859   77.584  ?   ?       ?      ? 
1 1 1   15   15   24 f  276.271  100.493  294.663  140.263  294.663  140.263   0.0000   0.0000  276.271  100.493  ?   ?       ?      ? 
1 1 1   15   15   25 o  177.626   59.552   24.558  112.631 -53.1426  182.474   72.381  143.157  169.429   82.864  185.823   85.553 -16.39391 119.1042 
1 1 1   15   15   26 o  178.997   56.183   73.787   72.967   78.877   82.863   56.215  153.964  176.823   73.296  181.171   85.168 -4.347122 112.3651 
1 1 1   15   15   27 o  237.896   88.586  205.960  110.056  205.960  110.056   0.0000   0.0000  237.896   88.586  ?   ?       ?      ? 
1 1 1   15   16    0 o  154.940   65.140   15.582   66.829   15.582   66.829   0.0000   0.0000  154.940   65.140  ?   ?       ?      ? 
1 1 1   15   16    1 o  256.762   75.585  146.353   80.825  146.353   80.825   0.0000   0.0000  256.762   75.585  ?   ?       ?      ? 
1 1 1   15   16    2 o  693.358   61.618  1006.19  166.724  1006.19  166.724   0.0000   0.0000  693.358   61.618  ?   ?       ?      ? 
1 1 1   15   16    3 o  693.276  157.113  1407.50  415.233  1407.50  415.233   0.0000   0.0000  693.276  157.113  ?   ?       ?      ? 
1 1 1   15   16    4 o  255.256   55.772  139.426   62.779  199.321   94.339   91.820   84.106  295.725   79.869  214.787   77.865 80.93826 111.5440 
1 1 1   15   16    5 o  637.140  145.137  1157.42  352.803  1157.42  352.803   0.0000   0.0000  637.140  145.137  ?   ?       ?      ? 
1 1 1   15   16    6 o  126.654   38.520   0.7561   34.654   12.157   47.927 -11.7344   50.165  132.786   55.450  120.523   53.483 12.26301 77.04009 
1 1 1   15   16    7 o  198.677   52.049   76.108   54.510   96.974   68.962   41.361   88.991  212.599   70.903  184.754   76.218 27.84492 104.0984 
1 1 1   15   16    8 o  372.198   67.320  338.358  104.615  503.795  153.175  193.723  143.221  461.879   88.199  282.517  101.728 179.3622 134.6390 
1 1 1   15   16    9 o  277.545   63.116  187.188   81.637  244.174  110.044  117.438  121.746  317.908   86.429  237.182   92.004 80.72676 126.2328 
1 1 1   15   16   10 o  225.989   60.042  110.299   69.976  121.592   83.717   84.115  127.474  230.974   78.118  221.003   91.202 9.971085 120.0846 
1 1 1   15   16   11 o  323.845   79.581  297.367  122.709  340.489  183.588  262.547  164.973  340.863  115.681  306.828  109.317 34.03482 159.1612 
1 1 1   15   16   12 o  427.632   83.356  502.752  148.525  307.322  187.033  836.392  244.378  318.543  116.018  536.719  119.721 -218.1761 166.7128 
1 1 1   15   16   13 o  295.575   67.462  252.973   91.190  281.089  102.480  146.049  199.848  339.090   78.924  252.061  109.432 87.02901 134.9235 
1 1 1   15   16   14 o  278.735   65.730  223.478   82.616  243.048   88.774   96.924  225.750  317.761   73.110  239.708  109.256 78.05220 131.4607 
1 1 1   15   16   15 o  199.624   63.898   39.273   45.216   34.485   46.049  168.088  238.844  144.255   56.409  254.993  114.672 -110.7379 127.7956 
1 1 1   15   16   16 o  169.385   72.815   31.318   86.754   31.318   86.754   0.0000   0.0000  169.385   72.815  ?   ?       ?      ? 
1 1 1   15   16   17 o  277.926   78.705  198.035   89.232  198.035   89.232   0.0000   0.0000  277.926   78.705  ?   ?       ?      ? 
1 1 1   15   16   18 o  133.056   56.411   15.603   50.799   15.603   50.799   0.0000   0.0000  133.056   56.411  ?   ?       ?      ? 
1 1 1   15   16   19 o  206.295   93.533   70.384  162.708   70.384  162.708   0.0000   0.0000  206.295   93.533  ?   ?       ?      ? 
1 1 1   15   16   20 o  126.018   55.261   5.5361   52.075   5.5361   52.075   0.0000   0.0000  126.018   55.261  ?   ?       ?      ? 
1 1 1   15   16   21 o  147.160   62.716   29.996   63.364   29.996   63.364   0.0000   0.0000  147.160   62.716  ?   ?       ?      ? 
1 1 1   15   16   22 f  188.455   57.591   87.756   77.318  109.359   88.539   18.359  158.687  198.187   78.001  178.722   84.750 19.46550 115.1815 
1 1 1   15   16   23 o  185.173   58.048   76.079   73.600   69.419   82.905  100.852  159.900  173.902   72.801  196.443   90.433 -22.54007 116.0954 
1 1 1   15   16   24 o  178.979   55.905   67.146   80.957  109.964   92.427 -73.9509  167.784  195.940   78.837  162.018   79.286 33.92152 111.8101 
1 1 1   15   16   25 o  166.334   57.423 -52.9495  120.973   37.489  178.640 -129.5524  164.409  181.474   87.108  151.194   74.846 30.28032 114.8465 
1 1 1   15   16   26 o  140.475   47.760 -10.0137   57.739   3.7756   61.104 -124.9823  176.436  127.694   57.659  153.256   76.154 -25.56226 95.51936 
1 1 1   15   17    0 o  494.469   66.853  556.709  115.579  519.305  137.052  648.819  215.068  487.242   72.079  501.696  112.614 -14.45441 133.7055 
1 1 1   15   17    1 o  379.404   81.508  332.858  117.082  332.858  117.082   0.0000   0.0000  379.404   81.508  ?   ?       ?      ? 
1 1 1   15   17    2 o  372.939  103.382  352.881  155.684  352.881  155.684   0.0000   0.0000  372.939  103.382  ?   ?       ?      ? 
1 1 1   15   17    3 o  130.296   56.738  -1.8074   54.044  -1.8074   54.044   0.0000   0.0000  130.296   56.738  ?   ?       ?      ? 
1 1 1   15   17    4 o  161.150   65.452   32.503   64.357   32.503   64.357   0.0000   0.0000  161.150   65.452  ?   ?       ?      ? 
1 1 1   15   17    5 o  508.801   92.748  624.880  177.370  624.880  177.370   0.0000   0.0000  508.801   92.748  ?   ?       ?      ? 
1 1 1   15   17    6 o  179.482   50.086   52.462   50.897   52.585   65.153   52.270   81.527  174.706   67.434  184.258   74.075 -9.552368 100.1723 
1 1 1   15   17    7 o  286.337   62.913  204.320   77.507  216.444   98.433  184.539  125.734  300.070   81.810  272.604   95.599 27.46530 125.8258 
1 1 1   15   17    8 o  247.625   59.918  144.206   68.205  137.416   86.226  155.555  111.479  241.631   79.221  253.619   89.915 -11.98750 119.8362 
1 1 1   15   17    9 o  433.237   77.176  528.264  127.992  544.169  158.156  498.077  217.886  468.220   89.825  398.255  125.523 69.96481 154.3523 
1 1 1   15   17   10 o  177.533   53.190   41.472   55.797   48.624   62.341   12.672  125.104  167.613   65.608  187.454   83.740 -19.84048 106.3804 
1 1 1   15   17   11 o  187.340   54.414   61.062   59.144   77.449   65.832  -7.5210  134.675  190.027   68.889  184.653   84.249 5.374420 108.8281 
1 1 1   15   17   12 o  305.460  119.213  311.798  205.360   0.0000   0.0000  311.798  205.360  ?   ?   305.460  119.213      ?      ? 
1 1 1   15   17   13 o  292.692   76.445  247.563  105.891  228.127  121.208  310.216  217.620  287.024   93.918  298.360  120.644 -11.33563 152.8905 
1 1 1   15   17   14 o  282.133  119.261  273.695  225.982   0.0000   0.0000  273.695  225.982  ?   ?   282.133  119.261      ?      ? 
1 1 1   15   17   15 o  282.514  112.226  263.067  184.864   0.0000   0.0000  263.067  184.864  ?   ?   282.514  112.226      ?      ? 
1 1 1   15   17   17 o  232.871   84.668  145.609   99.550  145.609   99.550   0.0000   0.0000  232.871   84.668  ?   ?       ?      ? 
1 1 1   15   17   18 o  345.000  110.280  412.321  167.727  412.321  167.727   0.0000   0.0000  345.000  110.280  ?   ?       ?      ? 
1 1 1   15   17   19 o  124.191   54.853   2.9257   52.168   2.9257   52.168   0.0000   0.0000  124.191   54.853  ?   ?       ?      ? 
1 1 1   15   17   20 o  199.683   73.810  107.048   76.125  107.048   76.125   0.0000   0.0000  199.683   73.810  ?   ?       ?      ? 
1 1 1   15   17   21 o  215.413   82.030  140.783   95.549  140.783   95.549   0.0000   0.0000  215.413   82.030  ?   ?       ?      ? 
1 1 1   15   17   22 o  172.300   56.231   37.725   66.652   28.359   72.051   93.282  175.483  148.822   65.138  195.778   91.678 -46.95581 112.4630 
1 1 1   15   17   23 o  211.311   65.384  146.749   95.151  134.123  108.851  187.649  195.913  206.664   84.662  215.958   99.662 -9.294006 130.7681 
1 1 1   15   17   24 o  188.564   60.317   93.623   91.304  107.486  102.591   40.816  200.232  192.191   80.750  184.938   89.620 7.253616 120.6330 
1 1 1   15   17   25 o  227.181  107.170  335.725  247.646   0.0000   0.0000  335.725  247.646  ?   ?   227.181  107.170      ?      ? 
1 1 1   15   18    0 o  228.260   59.773  113.488   68.375  117.220  117.604  111.582   84.038  233.377   90.454  223.143   78.162 10.23355 119.5456 
1 1 1   15   18    1 o  200.639   81.885   65.513  101.346   65.513  101.346   0.0000   0.0000  200.639   81.885  ?   ?       ?      ? 
1 1 1   15   18    2 o  275.521   63.416  182.196   78.696  241.573  120.085  137.501  104.186  308.503   92.454  242.538   86.824 65.96471 126.8313 
1 1 1   15   18    3 o  298.446   67.482  229.898   88.722  232.352  128.798  227.683  122.390  299.029   96.750  297.863   94.098 1.166229 134.9630 
1 1 1   15   18    4 o  244.021   60.017  141.765   70.605  161.956   97.952  119.930  101.864  257.883   84.431  230.160   85.320 27.72314 120.0335 
1 1 1   15   18    5 f  362.149   70.117  350.078  101.857  360.301  134.954  336.547  155.270  375.615   92.646  348.683  105.273 26.93204 140.2339 
1 1 1   15   18    6 f  232.578   61.171  121.867   71.237  109.697   87.596  145.637  122.419  219.723   79.493  245.433   92.996 -25.71027 122.3417 
1 1 1   15   18    7 o  206.924   57.470   87.659   66.422   93.997   82.001   75.567  113.268  207.074   76.593  206.774   85.702 0.2999268 114.9402 
1 1 1   15   18    8 o  143.068   46.113 -13.5414   52.217   4.8742   59.844 -72.2936  106.890  137.398   59.767  148.738   70.240 -11.33981 92.22656 
1 1 1   15   18    9 o  242.454   83.659  147.252   96.101  147.252   96.101   0.0000   0.0000  242.454   83.659  ?   ?       ?      ? 
1 1 1   15   18   10 o  310.756   87.069  253.186  109.813  253.186  109.813   0.0000   0.0000  310.756   87.069  ?   ?       ?      ? 
1 1 1   15   18   11 f   76.580   37.132 -52.7566   34.499 -52.7566   34.499   0.0000   0.0000   76.580   37.132  ?   ?       ?      ? 
1 1 1   15   18   12 o  278.567  109.024  242.892  172.130  242.892  172.130   0.0000   0.0000  278.567  109.024  ?   ?       ?      ? 
1 1 1   15   18   13 o  195.742   71.958   86.761   72.190   86.761   72.190   0.0000   0.0000  195.742   71.958  ?   ?       ?      ? 
1 1 1   15   18   14 o  234.404   93.526  145.226  128.913  145.226  128.913   0.0000   0.0000  234.404   93.526  ?   ?       ?      ? 
1 1 1   15   18   15 o  241.452   77.332  151.040   82.444  151.040   82.444   0.0000   0.0000  241.452   77.332  ?   ?       ?      ? 
1 1 1   15   18   16 o  155.134   62.972   40.716   59.536   40.716   59.536   0.0000   0.0000  155.134   62.972  ?   ?       ?      ? 
1 1 1   15   18   17 o  182.598   82.597   39.493  126.038   39.493  126.038   0.0000   0.0000  182.598   82.597  ?   ?       ?      ? 
1 1 1   15   18   18 o  174.265   69.489   68.218   71.124   68.218   71.124   0.0000   0.0000  174.265   69.489  ?   ?       ?      ? 
1 1 1   15   18   19 o  135.892   59.546   14.899   60.363   14.899   60.363   0.0000   0.0000  135.892   59.546  ?   ?       ?      ? 
1 1 1   15   18   20 o  166.697   76.249   29.918  111.205   29.918  111.205   0.0000   0.0000  166.697   76.249  ?   ?       ?      ? 
1 1 1   15   18   21 o  278.707   90.928  260.698  113.646  260.698  113.646   0.0000   0.0000  278.707   90.928  ?   ?       ?      ? 
1 1 1   15   18   22 o  180.468   75.608   81.966   89.525   81.966   89.525   0.0000   0.0000  180.468   75.608  ?   ?       ?      ? 
1 1 1   15   18   23 o  170.190   55.847   45.309   78.423   63.737   83.723 -86.5829  223.981  168.690   71.996  171.689   85.394 -2.998856 111.6942 
1 1 1   15   18   24 o  244.435   74.481  281.256  115.611  232.309  127.947  499.004  269.864  240.061   93.985  248.808  115.571 -8.746674 148.9621 
1 1 1   15   19    0 o  253.802   89.681  163.961  110.809   0.0000   0.0000  163.961  110.809  ?   ?   253.802   89.681      ?      ? 
1 1 1   15   19    1 o  276.975   67.970  191.184   90.492  293.374  143.802  124.185  116.437  322.953  101.994  230.998   89.872 91.95416 135.9408 
1 1 1   15   19    2 f  164.266   50.243   18.854   57.587   33.031   93.191   10.096   73.246  176.646   75.689  151.887   66.096 24.75870 100.4863 
1 1 1   15   19    3 o  137.322   44.044 -21.5458   49.062   3.1024   81.213 -35.7112   61.566  154.723   68.384  119.921   55.527 34.80143 88.08886 
1 1 1   15   19    4 o  151.689   47.062  -7.0650   56.335 -64.6400   81.480   45.663   77.975  129.604   61.241  173.774   71.476 -44.17014 94.12385 
1 1 1   15   19    5 o  235.134   63.711  133.605   80.379  122.976  102.956  150.194  128.628  226.764   85.436  243.504   94.537 -16.73969 127.4229 
1 1 1   15   19    6 o  208.058   59.555   89.320   75.229  107.691   94.303   57.169  124.757  215.801   81.657  200.316   86.714 15.48526 119.1102 
1 1 1   15   19    7 o  255.308   67.346  176.695   89.842  185.879  114.635  162.073  144.645  262.859   91.333  247.757   98.997 15.10275 134.6926 
1 1 1   15   19    8 o  328.140   74.407  339.320  112.969  379.255  139.295  262.577  193.099  371.813   95.500  284.467  114.129 87.34601 148.8137 
1 1 1   15   19    9 f  308.303   76.090  292.473  109.313  286.339  129.767  307.460  202.851  318.285   96.272  298.321  117.857 19.96402 152.1797 
1 1 1   15   19   10 o  229.005   64.843  130.330   85.625  146.746   98.292   78.665  174.374  238.397   84.439  219.612   98.430 18.78474 129.6860 
1 1 1   15   19   11 o  298.149   62.859  285.367  106.616  403.398  123.365 -62.9228  211.917  397.876   82.174  198.421   95.145 199.4553 125.7189 
1 1 1   15   19   12 f  284.667   75.783  259.647  110.429  259.544  125.158  260.008  234.626  299.164   95.225  270.171  117.916 28.99359 151.5650 
1 1 1   15   19   13 o  253.190   70.038  186.295   93.335  184.996  104.581  191.380  206.899  257.834   87.311  248.546  109.536 9.288437 140.0766 
1 1 1   15   19   14 o  252.157   70.160  190.892  104.718  111.040  143.845  280.930  152.744  215.500   93.200  288.814  104.897 -73.31439 140.3196 
1 1 1   15   19   15 o  175.722   53.292   34.026   50.991   14.015   56.146  128.220  121.815  134.820   58.267  216.624   89.247 -81.80331 106.5838 
1 1 1   15   19   16 o  275.045   87.656  229.400  106.028  229.400  106.028   0.0000   0.0000  275.045   87.656  ?   ?       ?      ? 
1 1 1   15   19   17 o  194.219   75.795   99.793   83.011   99.793   83.011   0.0000   0.0000  194.219   75.795  ?   ?       ?      ? 
1 1 1   15   19   18 o  222.034   82.686  151.451   95.889  151.451   95.889   0.0000   0.0000  222.034   82.686  ?   ?       ?      ? 
1 1 1   15   19   19 o   98.888   47.403 -51.5396   52.508 -51.5396   52.508   0.0000   0.0000   98.888   47.403  ?   ?       ?      ? 
1 1 1   15   19   20 o  274.403   89.926  251.423  111.107  251.423  111.107   0.0000   0.0000  274.403   89.926  ?   ?       ?      ? 
1 1 1   15   19   21 o  152.105   66.545   34.054   75.124   34.054   75.124   0.0000   0.0000  152.105   66.545  ?   ?       ?      ? 
1 1 1   15   19   22 o  198.199   81.372  122.282  100.830  122.282  100.830   0.0000   0.0000  198.199   81.372  ?   ?       ?      ? 
1 1 1   15   20    0 o  179.038   55.173   17.302   66.072   95.597  123.106 -14.3759   78.306  214.432   89.150  143.644   65.029 70.78851 110.3467 
1 1 1   15   20    1 o  272.550   65.674  167.211   86.230  347.663  147.035   72.612  106.460  346.223  101.955  198.878   82.811 147.3447 131.3488 
1 1 1   15   20    2 o  185.938   55.575   48.467   68.120   81.755  108.169   26.588   87.694  203.683   84.029  168.193   72.755 35.49025 111.1494 
1 1 1   15   20    3 o  195.639   63.300   37.491   80.384 -38.4570  245.754   46.590   85.063  214.840  102.871  176.438   73.792 38.40160 126.6004 
1 1 1   15   20    4 o  185.345   61.620  -3.8493   87.826 -54.3551  229.285   4.8352   95.078  207.349   99.305  163.340   72.982 44.00940 123.2393 
1 1 1   15   20    5 o  247.056   75.657  159.920  135.961   56.326  259.478  199.127  159.629  232.792  109.782  261.320  104.134 -28.52739 151.3137 
1 1 1   15   20    6 o  217.378   71.611 -16.5734  109.067  289.163  257.836 -83.2033  120.367  281.751  123.273  153.004   72.912 128.7474 143.2218 
1 1 1   15   20    7 o  243.501   75.721  110.134  129.324  310.265  232.491   20.465  155.621  289.864  121.662  197.138   90.183 92.72627 151.4415 
1 1 1   15   20    8 o  304.477  126.598  375.629  248.288  375.629  248.288   0.0000   0.0000  304.477  126.598  ?   ?       ?      ? 
1 1 1   15   20    9 o  294.068   74.483  287.506  114.411  322.435  137.217  207.832  207.237  331.005   98.746  257.130  111.535 73.87491 148.9655 
1 1 1   15   20   10 o  207.756   63.157   88.573   84.957   99.473   95.418   46.880  186.618  205.869   80.991  209.644   96.931 -3.775009 126.3135 
1 1 1   15   20   11 o  230.965   61.754  146.260   96.114  229.849  107.097 -199.7010  217.880  285.811   87.669  176.118   86.996 109.6930 123.5075 
1 1 1   15   20   12 o  238.318   73.020   79.423   80.523   33.801   85.246  457.275  245.328  165.236   71.604  311.400  127.281 -146.1640 146.0392 
1 1 1   15   20   13 o  176.833   54.339   51.743   68.970   85.271   74.469 -150.4448  182.872  188.665   72.281  165.000   81.156 23.66438 108.6776 
1 1 1   15   20   14 o  126.261   42.905 -33.6365   47.392 -19.4772   51.299 -116.1021  123.802  111.636   51.329  140.887   68.765 -29.25152 85.80977 
1 1 1   15   20   15 o  205.643   64.509  108.245  102.197   51.365  134.145  186.921  157.768  182.983   83.716  228.304   98.170 -45.32063 129.0180 
1 1 1   15   20   16 o  131.062   57.415   12.571   56.087   12.571   56.087   0.0000   0.0000  131.062   57.415  ?   ?       ?      ? 
1 1 1   15   20   17 f  218.105   81.232  145.281   92.550  145.281   92.550   0.0000   0.0000  218.105   81.232  ?   ?       ?      ? 
1 1 1   15   20   18 o  143.407   63.506   19.269   70.372   19.269   70.372   0.0000   0.0000  143.407   63.506  ?   ?       ?      ? 
1 1 1   15   20   19 o  200.882   92.851  123.215  171.042  123.215  171.042   0.0000   0.0000  200.882   92.851  ?   ?       ?      ? 
1 1 1   15   20   20 o  151.025   74.054 -90.3486  148.585 -90.3486  148.585   0.0000   0.0000  151.025   74.054  ?   ?       ?      ? 
1 1 1   15   20   21 o  179.609   85.809   52.393  168.942   52.393  168.942   0.0000   0.0000  179.609   85.809  ?   ?       ?      ? 
1 1 1   15   21    0 o  383.261   89.378  512.288  152.181  683.728  247.753  408.412  192.850  424.649  133.851  341.873  118.480 82.77579 178.7556 
1 1 1   15   21    1 o  358.707   84.765  429.513  137.530  577.936  221.546  336.457  175.423  400.590  126.607  316.824  112.743 83.76550 169.5293 
1 1 1   15   21    2 o  174.380   76.319   29.774   98.894   29.774   98.894   0.0000   0.0000  174.380   76.319  ?   ?       ?      ? 
1 1 1   15   21    3 o  272.583   68.644  220.705   93.266  240.149  118.565  189.145  151.054  291.122   92.685  254.043  101.278 37.07945 137.2872 
1 1 1   15   21    4 o  197.190   60.515   55.223   91.777  115.354  110.994 -74.7573  163.189  217.935   86.837  176.445   84.308 41.49049 121.0307 
1 1 1   15   21    5 o  186.334   60.070   20.306   92.529   28.211  112.269   3.5654  163.380  179.471   79.809  193.197   89.801 -13.72594 120.1400 
1 1 1   15   21    6 o  194.697   61.755   45.788   96.460   76.551  115.789 -23.9782  174.372  199.332   84.861  190.061   89.742 9.270691 123.5108 
1 1 1   15   21    7 o  253.331   70.912  202.050  114.244  262.363  136.717   62.472  207.982  290.497   99.809  216.166  100.758 74.33063 141.8239 
1 1 1   15   21    8 o  279.950   83.963  316.145  167.569  176.335  243.907  441.125  230.608  241.400  111.333  318.499  125.715 -77.09926 167.9265 
1 1 1   15   21    9 o  153.312   52.873 -89.5944   76.515 -114.9843   86.126   5.5072  166.685  117.106   57.201  189.518   88.939 -72.41169 105.7458 
1 1 1   15   21   10 o  238.847   69.211  186.341  106.132  212.911  123.026  109.040  209.846  259.782   94.174  217.913  101.450 41.86871 138.4226 
1 1 1   15   21   11 o  149.449   51.942 -58.2293   65.259 -65.8046   70.086  -8.8406  178.955  113.994   54.676  184.905   88.332 -70.91103 103.8848 
1 1 1   15   21   12 o  242.870   67.498  211.009   99.213  236.673  114.231  132.203  200.172  271.623   91.254  214.117   99.483 57.50656 134.9968 
1 1 1   15   21   13 f  182.107   57.544   59.860   70.827   51.551   78.933   94.192  160.451  165.419   70.235  198.795   91.172 -33.37654 115.0884 
1 1 1   15   21   14 o  189.600   58.882   76.546   69.040   61.817   76.263  143.434  162.518  169.046   70.215  210.154   94.542 -41.10843 117.7636 
1 1 1   15   21   15 o  162.219   54.303   4.2844   56.161  -9.8264   59.500  119.545  170.051  122.312   55.881  202.126   93.128 -79.81385 108.6065 
1 1 1   15   21   16 o  111.350   51.866 -25.1616   54.960 -25.1616   54.960   0.0000   0.0000  111.350   51.866  ?   ?       ?      ? 
1 1 1   15   21   17 o  130.544   60.434 -14.5526   72.875 -14.5526   72.875   0.0000   0.0000  130.544   60.434  ?   ?       ?      ? 
1 1 1   15   21   18 o  137.050   63.888 -14.8137   83.656 -14.8137   83.656   0.0000   0.0000  137.050   63.888  ?   ?       ?      ? 
1 1 1   15   21   19 o  159.986   71.398   41.455   90.700   41.455   90.700   0.0000   0.0000  159.986   71.398  ?   ?       ?      ? 
1 1 1   15   22    0 o  375.067   90.406  504.594  155.345  882.135  273.630  325.038  188.704  457.219  140.113  292.915  114.287 164.3039 180.8128 
1 1 1   15   22    1 o  284.149   71.025  262.803   99.950  283.319  129.279  232.318  157.592  304.452   96.766  263.845  103.994 40.60696 142.0508 
1 1 1   15   22    2 o  149.874   68.999 -17.6388   93.100 -17.6388   93.100   0.0000   0.0000  149.874   68.999  ?   ?       ?      ? 
1 1 1   15   22    3 o  301.577   74.736  337.654  125.078  418.915  153.710  178.394  215.187  364.317  103.343  238.837  107.990 125.4807 149.4712 
1 1 1   15   22    4 o  238.739   74.265  182.568  136.798  221.265  173.705  119.377  221.975  253.005  105.601  224.473  104.450 28.53197 148.5306 
1 1 1   15   22    5 o  228.136   71.858  151.133  127.409  147.500  160.937  157.232  208.541  226.057   98.172  230.215  104.960 -4.158371 143.7162 
1 1 1   15   22    6 o  213.427   68.231  110.335  119.521  117.680  147.896   96.507  202.925  213.200   93.320  213.653   99.566 -0.4528503 136.4621 
1 1 1   15   22    7 o  193.701   60.604   59.758  101.482  145.026  119.016 -167.3771  194.247  221.796   89.383  165.606   81.867 56.18925 121.2083 
1 1 1   15   22    8 o  189.877   60.770 -31.9997   83.376 -124.6072   95.480  265.378  171.097  120.702   59.221  259.052  106.136 -138.3494 121.5402 
1 1 1   15   22    9 o  165.142   53.607   18.001   76.517   48.449   87.463 -81.3232  157.969  168.185   72.705  162.099   78.795 6.085953 107.2131 
1 1 1   15   22   10 f  152.548   50.710 -24.7772   64.751 -54.0452   74.779   62.923  129.445  120.356   57.386  184.741   83.623 -64.38570 101.4200 
1 1 1   15   22   11 o  224.282   63.891  171.374   88.572  192.109  106.907  125.986  158.168  242.948   87.831  205.615   92.812 37.33322 127.7823 
1 1 1   15   22   12 o  188.470   59.431   71.122   77.890   42.796   89.960  155.945  155.674  163.819   72.211  213.120   94.412 -49.30115 118.8616 
1 1 1   15   22   13 o  334.661   73.388  520.490  138.169  645.768  168.484  263.218  241.445  440.673  100.236  228.648  107.219 212.0249 146.7759 
1 1 1   15   22   14 o  213.893   62.504  155.738   88.712  179.425   99.893   67.341  192.976  235.838   84.954  191.948   91.705 43.88968 125.0080 
1 1 1   15   22   15 o  233.819   74.455  243.535  139.780  144.844  179.616  395.083  222.578  206.332   95.293  261.306  114.426 -54.97354 148.9093 
1 1 1   15   22   16 o  124.050   58.592 -35.0877   74.445 -35.0877   74.445   0.0000   0.0000  124.050   58.592  ?   ?       ?      ? 
1 1 1   15   22   17 o  167.204   75.377   49.413  103.937   49.413  103.937   0.0000   0.0000  167.204   75.377  ?   ?       ?      ? 
1 1 1   15   22   18 f  139.369   66.749 -37.9170  103.608 -37.9170  103.608   0.0000   0.0000  139.369   66.749  ?   ?       ?      ? 
1 1 1   15   23    0 o  132.477   63.785 -76.5510   97.503 -76.5510   97.503   0.0000   0.0000  132.477   63.785  ?   ?       ?      ? 
1 1 1   15   23    1 o  190.672   60.156   60.110   88.074   10.118  111.086  144.725  144.521  164.189   75.508  217.155   93.667 -52.96635 120.3120 
1 1 1   15   23    2 o  176.566   79.925   40.742  118.257   40.742  118.257   0.0000   0.0000  176.566   79.925  ?   ?       ?      ? 
1 1 1   15   23    3 o  238.931   67.915  203.073  115.987  300.947  139.620 -14.8938  208.357  290.210  100.798  187.652   91.049 102.5585 135.8308 
1 1 1   15   23    4 o  216.831   66.813  141.324   99.222  120.744  117.224  193.322  186.330  205.966   86.416  227.695  101.922 -21.72916 133.6254 
1 1 1   15   23    5 o  179.058   57.197   54.410   79.334   69.091   89.272  -0.7332  173.013  177.780   75.043  180.336   86.340 -2.556259 114.3944 
1 1 1   15   23    6 o  203.979   62.815  112.912   84.515  105.717   95.190  139.699  183.681  196.822   79.719  211.137   97.097 -14.31531 125.6301 
1 1 1   15   23    7 o  253.650   71.648  246.044  102.781  224.031  121.667  300.902  192.071  253.582   93.388  253.719  108.686 -0.1365051 143.2964 
1 1 1   15   23    8 o  180.054   56.820   64.592   75.307   64.413   87.268   65.116  149.031  173.134   73.689  186.973   86.509 -13.83882 113.6395 
1 1 1   15   23    9 o  150.534   49.942 -10.4989   71.750  -1.8375   88.241 -27.3990  123.258  145.589   67.081  155.479   74.007 -9.890228 99.88396 
1 1 1   15   23   10 o  214.132   64.985  155.492   96.527  140.966  126.769  175.534  148.906  208.906   88.862  219.357   94.846 -10.45047 129.9700 
1 1 1   15   23   11 o  182.742   58.717   68.462   90.713   84.968  111.678   36.453  155.519  185.721   81.197  179.764   84.840 5.957581 117.4344 
1 1 1   15   23   12 o  167.555   56.292   7.2896   90.515   1.9820  105.564   22.026  175.897  154.723   72.006  180.388   86.547 -25.66464 112.5846 
1 1 1   15   23   13 o  199.197   64.634  116.561  108.209  107.342  127.279  140.600  205.525  193.964   85.675  204.431   96.799 -10.46677 129.2679 
1 1 1   15   23   14 o  170.814   55.349   43.827   85.313   88.042   93.694 -170.6768  206.370  182.525   76.954  159.104   79.575 23.42117 110.6978 
1 1 1   15   23   15 o  206.883   69.407  169.437  148.536   85.839  196.517  280.840  226.856  189.597   91.102  224.169  104.736 -34.57181 138.8134 
1 1 1   15   23   16 o  156.010   71.627   27.148   99.393   27.148   99.393   0.0000   0.0000  156.010   71.627  ?   ?       ?      ? 
1 1 1   15   24    0 o  186.756   59.645   74.553   91.090   53.395  118.826  104.707  141.852  176.678   80.033  196.834   88.459 -20.15649 119.2910 
1 1 1   15   24    1 o  189.167   60.953   73.268   94.922   40.032  118.161  133.742  159.390  172.157   78.690  206.177   93.108 -34.01968 121.9065 
1 1 1   15   24    2 o  219.634   90.483  163.835  125.205  163.835  125.205   0.0000   0.0000  219.634   90.483  ?   ?       ?      ? 
1 1 1   15   24    3 o  227.768   66.000  193.451  101.884  237.082  121.991   92.833  185.252  258.363   93.759  197.174   92.916 61.18852 132.0004 
1 1 1   15   24    4 o  229.298   86.453  171.880  105.463  171.880  105.463   0.0000   0.0000  229.298   86.453  ?   ?       ?      ? 
1 1 1   15   24    5 o  197.898   78.977  112.087   91.942  112.087   91.942   0.0000   0.0000  197.898   78.977  ?   ?       ?      ? 
1 1 1   15   24    6 f  146.684   66.383   12.010   81.525   12.010   81.525   0.0000   0.0000  146.684   66.383  ?   ?       ?      ? 
1 1 1   15   24    7 o  246.931   91.700  214.503  117.772  214.503  117.772   0.0000   0.0000  246.931   91.700  ?   ?       ?      ? 
1 1 1   15   24    8 o  257.261   92.404  233.540  118.102  233.540  118.102   0.0000   0.0000  257.261   92.404  ?   ?       ?      ? 
1 1 1   15   24    9 o  151.014   69.469   7.6866   94.121   7.6866   94.121   0.0000   0.0000  151.014   69.469  ?   ?       ?      ? 
1 1 1   15   24   10 o  175.549   78.576   62.636  110.727   62.636  110.727   0.0000   0.0000  175.549   78.576  ?   ?       ?      ? 
1 1 1   15   24   11 f  150.908   71.578 -19.0801  113.330 -19.0801  113.330   0.0000   0.0000  150.908   71.578  ?   ?       ?      ? 
1 1 1   15   24   12 o  147.694   70.700 -33.3085  115.904 -33.3085  115.904   0.0000   0.0000  147.694   70.700  ?   ?       ?      ? 
1 1 1   15   24   13 o  139.437   67.147 -48.8678  108.152 -48.8678  108.152   0.0000   0.0000  139.437   67.147  ?   ?       ?      ? 
1 1 1   15   25    0 f  172.670   56.503   23.394   96.080  102.694  121.266 -110.3338  157.476  192.683   84.416  152.657   75.128 40.02649 113.0061 
1 1 1   15   25    1 o  188.064   61.634   75.954  102.133   66.912  122.390   96.691  185.354  180.233   81.472  195.895   92.505 -15.66225 123.2674 
1 1 1   15   25    2 o  189.747   83.099   96.101  117.417   96.101  117.417   0.0000   0.0000  189.747   83.099  ?   ?       ?      ? 
1 1 1   15   25    3 o  181.942   59.681   13.885   83.784 -52.6121   95.933  227.682  172.015  134.147   64.243  229.736  100.597 -95.58861 119.3610 
1 1 1   15   25    4 o  181.418   58.030   71.983   85.109   88.437   97.530   19.441  174.283  184.214   78.135  178.621   85.819 5.593170 116.0601 
1 1 1   15   25    5 o  162.463   54.458  -8.7374   74.397 -43.3384   84.486  110.740  156.994  128.915   61.337  196.011   90.002 -67.09602 108.9155 
1 1 1   15   25    6 o  149.852   50.228 -12.9717   72.800  -9.2715   86.060 -22.2808  136.505  140.244   65.183  159.460   76.436 -19.21594 100.4558 
1 1 1   15   25    7 o  186.028   57.426   83.304   88.446  156.057  107.446 -69.5991  155.767  215.342   85.553  156.713   76.627 58.62932 114.8524 
1 1 1   15   25    8 o  182.863   60.310   66.492   98.540   37.908  118.903  129.176  176.079  167.600   77.449  198.126   92.469 -30.52589 120.6190 
1 1 1   15   25    9 o  205.169   65.863  161.117  122.483  221.839  149.814   38.709  212.708  227.280   96.637  183.058   89.517 44.22169 131.7270 
1 1 1   15   25   10 o  232.441   75.037  327.996  153.437  322.772  186.632  338.891  269.525  243.187  105.666  221.696  106.568 21.49127 150.0732 
1 1 1   15   26    0 o  186.805   63.017   80.259  128.089  103.370  179.301   56.172  183.047  191.147   90.481  182.463   87.738 8.684402 126.0348 
1 1 1   15   26    1 o  155.296   53.863 -72.5853  110.657 -101.0493  150.610 -39.1948  163.123  148.423   73.128  162.168   79.104 -13.74472 107.7267 
1 1 1   15   26    2 o  141.620   70.319 -143.9697  149.350 -143.9697  149.350   0.0000   0.0000  141.620   70.319  ?   ?       ?      ? 
1 1 1   15   26    3 f  169.738   57.611  -1.8816  113.348  103.350  156.333 -118.5110  164.582  189.103   87.880  150.373   74.519 38.73001 115.2211 
1 1 1   15   26    4 o  177.271   59.431   50.331  107.871   8.6798  140.520  110.095  168.323  164.046   78.342  190.496   89.391 -26.44940 118.8618 
1 1 1   16    0    0 o   41.549   17.431   3.6783   6.9461   3.6783   6.9461   3.6783   6.9461   41.549   24.652   41.549   24.652 0.000000 0.000000 
1 1 1   16    0    1 o  220.655   14.698   97.710   17.534   97.710   17.534   97.710   17.534  220.655   20.786  220.655   20.786 0.000000 0.000000 
1 1 1   16    0    2 o  851.766   23.240  1429.71  108.877  1429.71  108.877  1429.71  108.877  851.766   32.867  851.766   32.867 0.000000 0.000000 
1 1 1   16    0    3 o  229.642   24.823  110.421   29.277  110.421   29.277  110.421   29.277  229.642   35.106  229.642   35.106 0.000000 0.000000 
1 1 1   16    0    4 o  377.771   16.889  282.573   34.889  282.573   34.889  282.573   34.889  377.771   23.885  377.771   23.885 -0.000000 0.000000 
1 1 1   16    0    5 f  139.629   16.627   41.218   11.721   41.218   11.721   41.218   11.721  139.629   23.514  139.629   23.514 -0.000000 0.000000 
1 1 1   16    0    6 o  165.809   16.283   56.792   14.079   56.792   14.079   56.792   14.079  165.809   23.028  165.809   23.028 0.000000 0.000000 
1 1 1   16    0    7 o  526.701   18.432  547.074   53.277  547.074   53.277  547.074   53.277  526.701   26.066  526.701   26.066 0.000000 0.000000 
1 1 1   16    0    8 o  665.963   28.927  882.291  105.396  882.291  105.396  882.291  105.396  665.963   40.909  665.963   40.909 0.000000 0.000000 
1 1 1   16    0    9 o  1271.83   41.124  3230.16  287.274  3230.16  287.274  3230.16  287.274  1271.83   58.158  1271.83   58.158 -0.000000 0.000000 
1 1 1   16    0   10 o  226.953   23.129  107.081   27.222  107.081   27.222  107.081   27.222  226.953   32.710  226.953   32.710 0.000000 0.000000 
1 1 1   16    0   11 o  982.933   34.165  1922.73  184.311  1922.73  184.311  1922.73  184.311  982.933   48.316  982.933   48.316 -0.000000 0.000000 
1 1 1   16    0   12 o  234.015   23.442  113.705   28.522  113.705   28.522  113.705   28.522  234.015   33.153  234.015   33.153 0.000000 0.000000 
1 1 1   16    0   13 o  451.361   21.387  404.957   52.727  404.957   52.727  404.957   52.727  451.361   30.246  451.361   30.246 -0.000000 0.000000 
1 1 1   16    0   26 o  112.477   47.927   32.115   54.113   32.115   54.113   32.115   54.113  112.477   67.779  112.477   67.779 -0.000000 0.000000 
1 1 1   16    0   27 o  393.307   55.739  372.410  107.311  372.410  107.311  372.410  107.311  393.307   78.826  393.307   78.826 0.000000 0.000000 
1 1 1   16    0   28 o  200.480   74.955  158.934  110.995  158.934  110.995  158.934  110.995  200.480  106.002  200.480  106.002 0.000000 0.000000 
1 1 1   16    1    0 o   69.356   15.221   6.8121   5.5408   17.294   7.8690  -3.4950   7.8030   92.083   22.165   46.629   20.866 45.45367 30.44151 
1 1 1   16    1    1 o  368.518   16.713  266.492   24.034  263.542   33.859  269.488   34.122  366.459   23.676  370.577   23.595 -4.118286 33.42604 
1 1 1   16    1    2 o  631.033   24.090  786.681   55.961  787.678   68.641  784.705   96.635  632.869   27.793  629.198   39.356 3.671143 48.18073 
1 1 1   16    1    3 o  1288.08   43.993  3361.78  220.972  3439.48  319.911  3290.88  305.583  1301.70   62.978  1274.46   61.443 27.24036 87.98552 
1 1 1   16    1    4 f  456.148   17.490  407.153   31.081  378.602   42.638  439.525   45.401  439.124   24.882  473.173   24.588 -34.04831 34.98079 
1 1 1   16    1    5 o  930.978   24.287  1711.13   88.236  1709.66  124.603  1712.62  124.967  930.586   34.312  931.370   34.383 -0.7843018 48.57428 
1 1 1   16    1    6 o  241.933   14.803  114.572   13.968  109.846   19.386  119.673   20.142  236.750   20.983  247.117   20.887 -10.36716 29.60637 
1 1 1   16    1    7 o  874.773   43.807  1521.74  149.544   0.0000   0.0000  1521.74  149.544  ?   ?   874.773   43.807      ?      ? 
1 1 1   16    1    8 o  747.023   26.209  1103.49   71.889  1102.66   87.919  1105.17  124.875  748.334   30.106  745.712   42.911 2.622131 52.41898 
1 1 1   16    1    9 o  306.738   22.603  184.548   27.056  184.548   27.056   0.0000   0.0000  306.738   22.603  ?   ?       ?      ? 
1 1 1   16    1   10 o  468.546   20.126  392.677   33.996  337.348   39.923  538.656   64.846  414.467   24.683  522.624   31.795 -108.1574 40.25148 
1 1 1   16    1   11 o  526.523   24.559  547.286   50.414  581.435   72.778  515.784   69.900  542.358   34.386  510.688   35.074 31.66925 49.11855 
1 1 1   16    1   12 o  798.266   29.550  1243.17   91.022  1443.85  142.304  1104.22  118.412  851.309   42.835  745.223   40.717 106.0862 59.09934 
1 1 1   16    1   13 f  297.332   29.432  174.278   34.151  174.278   34.151   0.0000   0.0000  297.332   29.432  ?   ?       ?      ? 
1 1 1   16    1   24 o  306.654   32.507  191.009   38.901  191.009   38.901   0.0000   0.0000  306.654   32.507  ?   ?       ?      ? 
1 1 1   16    1   25 o  288.466   29.773  168.286   33.515  168.286   33.515   0.0000   0.0000  288.466   29.773  ?   ?       ?      ? 
1 1 1   16    1   26 o  242.183   29.791  118.939   28.156  118.939   28.156   0.0000   0.0000  242.183   29.791  ?   ?       ?      ? 
1 1 1   16    1   27 o  377.248   32.353  292.187   47.629  292.187   47.629   0.0000   0.0000  377.248   32.353  ?   ?       ?      ? 
1 1 1   16    1   28 o  240.039   39.188  140.187   28.954  143.416   31.685  123.844   71.281  263.900   30.767  216.178   72.085 47.72284 78.37656 
1 1 1   16    1   30 o  176.492   54.028   62.499   60.507  102.179  123.750   50.032   69.363  193.820   85.086  159.164   66.607 34.65550 108.0564 
1 1 1   16    1   31 o  194.821   76.431  108.037   84.755   0.0000   0.0000  108.037   84.755  ?   ?   194.821   76.431      ?      ? 
1 1 1   16    2    0 o  614.350   19.483  740.485   46.654  707.464   64.105  777.670   68.026  599.849   27.386  628.850   27.720 -29.00049 38.96635 
1 1 1   16    2    1 o  462.974   17.643  420.675   31.867  409.650   44.503  432.278   45.653  456.749   24.968  469.198   24.933 -12.44946 35.28557 
1 1 1   16    2    2 o  679.047   20.401  907.275   54.057  903.683   75.882  910.976   77.028  677.714   28.692  680.380   29.011 -2.666138 40.80286 
1 1 1   16    2    3 o  588.815   23.286  660.250   49.610  623.644   59.139  747.193   91.140  563.289   26.903  614.340   38.016 -51.05145 46.57287 
1 1 1   16    2    4 o  382.446   20.328  278.532   28.479  314.430   51.084  262.344   34.304  399.276   32.785  365.615   24.043 33.66077 40.65638 
1 1 1   16    2    5 o  431.062   20.102  349.422   32.100  318.001   38.910  416.378   56.799  402.472   24.774  459.651   31.665 -57.17908 40.20438 
1 1 1   16    2    6 f  834.417   26.606  1373.11   83.136  1361.35  103.719  1394.25  139.043  831.049   31.981  837.785   42.529 -6.735535 53.21208 
1 1 1   16    2    7 o  379.842   23.063  284.455   34.158  286.010   49.395  283.030   47.286  380.760   33.243  378.925   31.978 1.834473 46.12687 
1 1 1   16    2    8 o  930.633   28.485  1701.25   98.473  1664.92  121.314  1771.42  168.602  918.418   33.848  942.847   45.824 -24.42908 56.96956 
1 1 1   16    2    9 o  469.835   22.198  449.091   38.366  482.832   48.042  389.692   63.743  495.869   24.827  443.801   36.806 52.06781 44.39639 
1 1 1   16    2   10 o  329.917   18.603  206.268   22.568  192.340   27.238  236.762   40.303  313.135   22.290  346.699   29.789 -33.56396 37.20512 
1 1 1   16    2   11 o  730.588   24.903  1074.60   69.289  1162.38   91.088  954.058  106.741  767.896   30.397  693.279   39.454 74.61609 49.80546 
1 1 1   16    2   12 o  433.033   23.780  361.696   39.657  453.357   61.444  296.254   51.918  479.043   32.868  387.022   34.376 92.02139 47.56063 
1 1 1   16    2   13 o  490.794   56.404  611.690   68.119  653.560   74.028  380.418  173.985  575.013   32.991  406.575  107.876 168.4378 112.8080 
1 1 1   16    2   15 o  205.883   30.726   83.706   24.687   83.706   24.687   0.0000   0.0000  205.883   30.726  ?   ?       ?      ? 
1 1 1   16    2   16 f  198.275   30.580   77.674   23.661   77.674   23.661   0.0000   0.0000  198.275   30.580  ?   ?       ?      ? 
1 1 1   16    2   18 o  461.185   38.517  425.082   69.319  425.082   69.319   0.0000   0.0000  461.185   38.517  ?   ?       ?      ? 
1 1 1   16    2   19 o  805.518   42.724  1309.93  134.302  1309.93  134.302   0.0000   0.0000  805.518   42.724  ?   ?       ?      ? 
1 1 1   16    2   20 o  327.721   33.339  214.749   42.637  214.749   42.637   0.0000   0.0000  327.721   33.339  ?   ?       ?      ? 
1 1 1   16    2   21 o  537.261   35.915  582.245   75.301  582.245   75.301   0.0000   0.0000  537.261   35.915  ?   ?       ?      ? 
1 1 1   16    2   22 o  159.105   34.655   53.053   20.908   53.053   20.908   0.0000   0.0000  159.105   34.655  ?   ?       ?      ? 
1 1 1   16    2   24 o  411.772   33.470  345.334   53.782  345.334   53.782   0.0000   0.0000  411.772   33.470  ?   ?       ?      ? 
1 1 1   16    2   25 o  419.875   33.132  359.601   54.287  359.601   54.287   0.0000   0.0000  419.875   33.132  ?   ?       ?      ? 
1 1 1   16    2   26 o  410.009   33.567  344.516   53.707  344.516   53.707   0.0000   0.0000  410.009   33.567  ?   ?       ?      ? 
1 1 1   16    2   27 o  237.610   32.138  115.909   29.800  115.909   29.800   0.0000   0.0000  237.610   32.138  ?   ?       ?      ? 
1 1 1   16    2   28 o  371.341  129.291  639.866  229.777  639.866  229.777   0.0000   0.0000  371.341  129.291  ?   ?       ?      ? 
1 1 1   16    2   29 o  169.835   71.425   60.481   80.392   60.481   80.392   0.0000   0.0000  169.835   71.425  ?   ?       ?      ? 
1 1 1   16    2   30 o  188.130   79.323   93.320   99.566   0.0000   0.0000   93.320   99.566  ?   ?   188.130   79.323      ?      ? 
1 1 1   16    2   31 o  194.851   40.817  100.178   28.393  105.041   29.700   48.530   96.792  222.877   34.147  166.826   74.149 56.05074 81.63355 
1 1 1   16    2   32 o  182.133   40.082   87.224   27.404   91.671   28.924   48.244   85.639  203.464   37.821  160.803   70.682 42.66153 80.16474 
1 1 1   16    3    0 o  277.718   16.266  151.292   17.626  150.900   24.693  151.698   25.168  277.365   22.814  278.072   23.193 -0.7073975 32.53283 
1 1 1   16    3    1 o  646.555   20.149  822.552   50.814  828.376   70.906  816.403   72.859  649.000   27.997  644.111   28.986 4.889587 40.29886 
1 1 1   16    3    2 o  410.770   21.041  319.266   31.185  299.992   37.051  366.088   57.749  390.945   24.286  430.595   34.367 -39.64993 42.08230 
1 1 1   16    3    3 o  783.311   64.188  1196.22   90.546  1183.50   93.160  1413.42  384.941  775.124   30.798  791.498  124.627 -16.37451 128.3761 
1 1 1   16    3    4 o  334.595   28.899  220.267   37.734   0.0000   0.0000  220.267   37.734  ?   ?   334.595   28.899      ?      ? 
1 1 1   16    3    5 f  904.627   45.409  1629.65  160.305   0.0000   0.0000  1629.65  160.305  ?   ?   904.627   45.409      ?      ? 
1 1 1   16    3    6 f  331.728   22.958  215.848   29.720  215.848   29.720   0.0000   0.0000  331.728   22.958  ?   ?       ?      ? 
1 1 1   16    3    7 o  453.393   21.636  417.062   36.547  453.341   46.587  359.005   58.934  480.527   24.843  426.260   35.429 54.26709 43.27124 
1 1 1   16    3    8 o  317.010   82.709  217.318  103.396   0.0000   0.0000  217.318  103.396  ?   ?   317.010   82.709      ?      ? 
1 1 1   16    3    9 o  191.346   23.199   74.820   14.970   76.391   17.623   70.750   28.369  197.325   22.885  185.368   40.362 11.95735 46.39830 
1 1 1   16    3   10 o  165.588   24.701   54.473   12.871   54.032   14.362   56.270   29.005  165.966   22.176  165.210   44.146 0.7552643 49.40293 
1 1 1   16    3   11 o  466.306   23.195  447.529   38.969  482.925   47.964  378.789   66.841  495.780   24.791  436.833   39.210 58.94717 46.38996 
1 1 1   16    3   12 f  1047.26   96.293  2454.21  162.025  2440.69  166.556  2692.60  699.392  1108.86   38.491  985.659  188.701 123.1973 192.5869 
1 1 1   16    3   13 o  506.371   25.356  504.207   50.106  504.207   50.106   0.0000   0.0000  506.371   25.356  ?   ?       ?      ? 
1 1 1   16    3   15 o  550.144  113.869  705.190  236.408  705.190  236.408   0.0000   0.0000  550.144  113.869  ?   ?       ?      ? 
1 1 1   16    3   16 o  590.025  120.195  829.652  267.352  829.652  267.352   0.0000   0.0000  590.025  120.195  ?   ?       ?      ? 
1 1 1   16    3   17 o  242.670   75.586  125.872   79.265  125.872   79.265   0.0000   0.0000  242.670   75.586  ?   ?       ?      ? 
1 1 1   16    3   18 o  215.941   71.801   96.607   70.738   96.607   70.738   0.0000   0.0000  215.941   71.801  ?   ?       ?      ? 
1 1 1   16    3   19 o  535.148   45.627  581.625   95.287  581.625   95.287   0.0000   0.0000  535.148   45.627  ?   ?       ?      ? 
1 1 1   16    3   20 o  119.122   45.216   21.744   28.973   21.744   28.973   0.0000   0.0000  119.122   45.216  ?   ?       ?      ? 
1 1 1   16    3   21 o  493.331   37.631  493.060   72.446  493.060   72.446   0.0000   0.0000  493.331   37.631  ?   ?       ?      ? 
1 1 1   16    3   22 o   73.476   33.935 -16.7794   22.781 -16.7794   22.781   0.0000   0.0000   73.476   33.935  ?   ?       ?      ? 
1 1 1   16    3   23 o  274.152   42.267  156.119   45.219  156.119   45.219   0.0000   0.0000  274.152   42.267  ?   ?       ?      ? 
1 1 1   16    3   24 o  327.319   36.841  220.278   47.058  220.278   47.058   0.0000   0.0000  327.319   36.841  ?   ?       ?      ? 
1 1 1   16    3   25 o   43.227   21.367 -29.2617   13.224 -29.2617   13.224   0.0000   0.0000   43.227   21.367  ?   ?       ?      ? 
1 1 1   16    3   26 o  171.397   68.350   55.570   68.816   55.570   68.816   0.0000   0.0000  171.397   68.350  ?   ?       ?      ? 
1 1 1   16    3   27 o  117.030   53.727 -21.3099   55.913 -21.3099   55.913   0.0000   0.0000  117.030   53.727  ?   ?       ?      ? 
1 1 1   16    3   28 f  309.221   35.074  200.442   42.324  200.442   42.324   0.0000   0.0000  309.221   35.074  ?   ?       ?      ? 
1 1 1   16    3   29 o  299.760   34.469  189.273   40.322  189.273   40.322   0.0000   0.0000  299.760   34.469  ?   ?       ?      ? 
1 1 1   16    3   30 o  188.283   33.717  102.576   27.584  125.102   30.566   3.7488   64.024  244.633   32.018  131.933   59.347 112.6998 67.43342 
1 1 1   16    3   31 o  109.706   35.307  -1.8887   21.447  -4.9806   22.820   21.510   62.777   80.257   35.815  139.155   60.857 -58.89767 70.61351 
1 1 1   16    3   32 o  220.262   85.803  169.835  106.235   0.0000   0.0000  169.835  106.235  ?   ?   220.262   85.803      ?      ? 
1 1 1   16    4    0 o  779.518   25.951  1144.74   72.869  1061.86   86.290  1350.77  136.050  734.369   30.110  824.666   42.276 -90.29657 51.90226 
1 1 1   16    4    1 o  932.395   28.774  1685.31   98.198  1615.33  118.620  1837.69  175.048  904.766   33.596  960.025   46.724 -55.25861 57.54878 
1 1 1   16    4    2 o  411.401   20.519  326.511   31.376  312.534   38.488  354.205   54.177  399.003   24.718  423.799   32.759 -24.79675 41.03792 
1 1 1   16    4    3 o  338.131   43.502  228.133   30.059  226.782   31.260  244.721  109.495  339.979   23.561  336.282   83.753 3.697845 87.00375 
1 1 1   16    4    4 o  253.374   17.095   97.335   14.759   69.155   16.665  199.812   31.779  187.777   22.742  318.971   25.531 -131.1942 34.19069 
1 1 1   16    4    5 o  475.917   34.895  447.317   64.808   0.0000   0.0000  447.317   64.808  ?   ?   475.917   34.895      ?      ? 
1 1 1   16    4    6 o  413.554   24.432  336.775   39.272  296.913   54.123  381.098   57.072  387.603   35.782  439.505   33.275 -51.90259 48.86319 
1 1 1   16    4    7 o  509.410   22.517  525.815   42.725  567.097   54.296  458.691   69.236  537.281   25.896  481.539   36.844 55.74194 45.03434 
1 1 1   16    4    8 o  754.327   29.610  1113.57   86.508  973.871  114.593  1298.69  131.908  700.119   41.942  808.535   41.806 -108.4157 59.21920 
1 1 1   16    4    9 o  151.468   21.189   40.066   10.300   35.607   11.505   58.073   23.121  134.743   21.881  168.193   36.291 -33.44939 42.37705 
1 1 1   16    4   10 o  535.161   53.854  593.263   54.433  592.019   56.456  609.682  205.154  548.719   26.365  521.603  104.430 27.11597 107.7073 
1 1 1   16    4   11 o  799.855   74.550  1490.43  140.761  1520.68  150.977  1289.31  389.276  873.021   44.315  726.690  142.363 146.3312 149.1005 
1 1 1   16    4   12 o  737.000   75.555  1375.31  129.372  1440.49  139.448  972.551  346.631  850.343   42.023  623.657  145.149 226.6863 151.1095 
1 1 1   16    4   13 o  1307.27   53.821  3453.09  274.566  3453.09  274.566   0.0000   0.0000  1307.27   53.821  ?   ?       ?      ? 
1 1 1   16    4   14 o  547.622   31.150  592.325   66.570  592.325   66.570   0.0000   0.0000  547.622   31.150  ?   ?       ?      ? 
1 1 1   16    4   15 o  242.184   74.743  124.135   77.710  124.135   77.710   0.0000   0.0000  242.184   74.743  ?   ?       ?      ? 
1 1 1   16    4   16 o  462.322  102.702  492.298  180.475  492.298  180.475   0.0000   0.0000  462.322  102.702  ?   ?       ?      ? 
1 1 1   16    4   17 o  232.767   73.074  115.136   73.921  115.136   73.921   0.0000   0.0000  232.767   73.074  ?   ?       ?      ? 
1 1 1   16    4   18 o  540.688  117.021  722.640  239.747  722.640  239.747   0.0000   0.0000  540.688  117.021  ?   ?       ?      ? 
1 1 1   16    4   19 o  202.063   68.433   84.459   64.246   84.459   64.246   0.0000   0.0000  202.063   68.433  ?   ?       ?      ? 
1 1 1   16    4   20 o  233.923   74.992  122.405   77.516  122.405   77.516   0.0000   0.0000  233.923   74.992  ?   ?       ?      ? 
1 1 1   16    4   21 o  377.427   98.366  365.651  146.353  365.651  146.353   0.0000   0.0000  377.427   98.366  ?   ?       ?      ? 
1 1 1   16    4   22 o  218.283   72.046  109.680   71.271  109.680   71.271   0.0000   0.0000  218.283   72.046  ?   ?       ?      ? 
1 1 1   16    4   23 o  128.790   51.333   23.073   38.799   23.073   38.799   0.0000   0.0000  128.790   51.333  ?   ?       ?      ? 
1 1 1   16    4   24 o  390.736   39.428  316.492   60.120  316.492   60.120   0.0000   0.0000  390.736   39.428  ?   ?       ?      ? 
1 1 1   16    4   25 o   90.548   40.948 -12.4698   30.952 -12.4698   30.952   0.0000   0.0000   90.548   40.948  ?   ?       ?      ? 
1 1 1   16    4   26 o  119.460   47.847   19.773   33.876   19.773   33.876   0.0000   0.0000  119.460   47.847  ?   ?       ?      ? 
1 1 1   16    4   27 o  225.028   50.999  115.848   43.750  115.848   43.750   0.0000   0.0000  225.028   50.999  ?   ?       ?      ? 
1 1 1   16    4   28 o  176.553   49.473   72.465   35.452   72.465   35.452   0.0000   0.0000  176.553   49.473  ?   ?       ?      ? 
1 1 1   16    4   29 o  139.980   47.871   43.459   31.442   43.459   31.442   0.0000   0.0000  139.980   47.871  ?   ?       ?      ? 
1 1 1   16    4   30 o  139.263   37.305   40.976   26.950   47.095   31.298   23.425   53.003  144.090   47.752  134.436   57.328 9.653778 74.61086 
1 1 1   16    4   31 o  119.763   36.646   16.302   27.642   25.185   30.083 -31.8700   70.059  117.857   45.729  121.669   57.276 -3.811546 73.29169 
1 1 1   16    4   32 o  363.137   61.124  357.868   61.212  334.093   65.121  538.271  179.381  386.104   43.220  340.169  114.353 45.93570 122.2478 
1 1 1   16    5    0 o  404.682   20.783  314.631   30.997  299.968   37.648  345.492   54.618  390.903   24.680  418.461   33.446 -27.55801 41.56604 
1 1 1   16    5    1 f  419.123   20.101  331.160   30.528  308.970   36.356  384.218   56.216  396.839   23.476  441.407   32.635 -44.56793 40.20177 
1 1 1   16    5    2 o  540.697   22.082  579.975   44.418  589.613   55.322  562.490   74.513  547.880   25.875  533.515   35.789 14.36542 44.16332 
1 1 1   16    5    3 o  321.120   18.877  191.049   21.833  174.508   25.786  232.933   41.032  298.329   22.149  343.912   30.573 -45.58295 37.75332 
1 1 1   16    5    4 o  587.636   27.047  678.714   62.023  678.714   62.023   0.0000   0.0000  587.636   27.047  ?   ?       ?      ? 
1 1 1   16    5    5 o  387.072   21.804  314.764   30.645  371.191   39.326  227.524   48.899  434.988   23.167  339.155   36.946 95.83310 43.60884 
1 1 1   16    5    6 o  217.915   25.317  112.294   17.759  135.437   21.440   61.708   31.698  262.877   20.900  172.952   46.120 89.92538 50.63472 
1 1 1   16    5    7 o  658.089   27.804  856.509   71.243  887.979  105.007  829.669   96.977  669.022   40.220  647.155   38.400 21.86652 55.60766 
1 1 1   16    5    8 o  719.098   29.246  1001.79   80.787  1174.94  128.919  889.828  103.666  768.471   42.989  669.725   39.665 98.74628 58.49242 
1 1 1   16    5    9 f  378.664   90.124  315.353  131.252   0.0000   0.0000  315.353  131.252  ?   ?   378.664   90.124      ?      ? 
1 1 1   16    5   10 o  451.873   53.438  460.866   59.245  471.891   63.588  388.317  163.114  488.703   33.343  415.044  101.542 73.65942 106.8757 
1 1 1   16    5   11 o  266.831   40.073  173.137   31.009  186.635   33.857  102.872   77.245  307.844   28.183  225.818   75.028 82.02689 80.14640 
1 1 1   16    5   12 o  294.282   82.904  188.712   99.276  188.712   99.276   0.0000   0.0000  294.282   82.904  ?   ?       ?      ? 
1 1 1   16    5   13 o  950.394   44.465  1805.91  164.913  1805.91  164.913   0.0000   0.0000  950.394   44.465  ?   ?       ?      ? 
1 1 1   16    5   14 o  404.984   31.792  324.183   50.244  324.183   50.244   0.0000   0.0000  404.984   31.792  ?   ?       ?      ? 
1 1 1   16    5   15 o  402.923   55.419  504.311   57.421  555.430   61.299  138.262  164.034  530.397   29.616  275.449  106.809 254.9485 110.8385 
1 1 1   16    5   16 o  272.043   25.841  145.811   27.433  145.811   27.433   0.0000   0.0000  272.043   25.841  ?   ?       ?      ? 
1 1 1   16    5   17 o  429.740   99.899  431.223  164.354  431.223  164.354   0.0000   0.0000  429.740   99.899  ?   ?       ?      ? 
1 1 1   16    5   18 o  582.062  125.764  871.193  277.323  871.193  277.323   0.0000   0.0000  582.062  125.764  ?   ?       ?      ? 
1 1 1   16    5   19 o  549.769  124.110  801.666  259.960  801.666  259.960   0.0000   0.0000  549.769  124.110  ?   ?       ?      ? 
1 1 1   16    5   20 o  354.652   93.437  310.348  131.124  310.348  131.124   0.0000   0.0000  354.652   93.437  ?   ?       ?      ? 
1 1 1   16    5   21 o  461.497   59.449  459.296  107.065  459.296  107.065   0.0000   0.0000  461.497   59.449  ?   ?       ?      ? 
1 1 1   16    5   22 o   94.419   39.617   4.8069   24.639   4.8069   24.639   0.0000   0.0000   94.419   39.617  ?   ?       ?      ? 
1 1 1   16    5   23 o  178.698   56.605   70.721   44.266   70.721   44.266   0.0000   0.0000  178.698   56.605  ?   ?       ?      ? 
1 1 1   16    5   24 o  108.016   43.590   13.763   28.347   13.763   28.347   0.0000   0.0000  108.016   43.590  ?   ?       ?      ? 
1 1 1   16    5   25 o  191.447   55.422   83.557   43.779   83.557   43.779   0.0000   0.0000  191.447   55.422  ?   ?       ?      ? 
1 1 1   16    5   26 o  378.755   43.145  304.946   63.771  304.946   63.771   0.0000   0.0000  378.755   43.145  ?   ?       ?      ? 
1 1 1   16    5   27 o  164.558   46.910   45.067   40.263   32.841   45.933   85.624   83.656  139.256   55.736  189.861   75.471 -50.60509 93.82069 
1 1 1   16    5   28 o  370.621   46.172  304.467   66.779  304.467   66.779   0.0000   0.0000  370.621   46.172  ?   ?       ?      ? 
1 1 1   16    5   29 o  382.221   43.557  322.156   64.969  322.156   64.969   0.0000   0.0000  382.221   43.557  ?   ?       ?      ? 
1 1 1   16    5   30 o  172.157   40.430   74.313   36.646  108.140   45.451   11.471   61.950  210.343   54.816  133.971   59.443 76.37292 80.85950 
1 1 1   16    5   31 o  199.424   44.396  114.124   41.363  133.214   47.454   53.753   84.389  234.678   53.062  164.170   71.193 70.50824 88.79153 
1 1 1   16    6    0 o  205.965   19.759   68.906   13.948   55.393   15.777  117.238   29.838  168.005   24.065  243.925   31.346 -75.92015 39.51807 
1 1 1   16    6    1 o  785.925   26.073  1217.44   76.417  1207.42   94.855  1235.97  128.990  782.870   31.048  788.980   41.895 -6.109863 52.14552 
1 1 1   16    6    2 o  972.482   29.625  1853.16  106.318  1803.41  129.899  1954.10  185.047  955.574   34.834  989.390   47.927 -33.81580 59.24915 
1 1 1   16    6    3 o  334.149   21.243  218.563   25.803  216.342   31.186  223.383   45.945  332.013   24.070  336.285   35.010 -4.272156 42.48628 
1 1 1   16    6    4 o  418.361   20.311  332.417   31.304  310.218   37.860  380.391   55.656  397.534   24.405  439.189   32.474 -41.65536 40.62190 
1 1 1   16    6    5 o  931.385   34.333  1713.10  124.789  1713.10  124.789   0.0000   0.0000  931.385   34.333  ?   ?       ?      ? 
1 1 1   16    6    6 o  638.973   27.331  778.102   66.662  966.882  109.048  665.460   84.234  698.128   40.027  579.818   37.228 118.3099 54.66301 
1 1 1   16    6    7 o  521.145   54.821  545.564   67.837  538.217   71.955  604.301  203.446  521.731   35.341  520.559  103.791 1.172058 109.6426 
1 1 1   16    6    8 o  592.660   57.031  719.209   80.853  712.605   85.984  769.643  237.612  599.895   36.729  585.425  107.986 14.47040 114.0614 
1 1 1   16    6    9 o  600.254   58.916  711.832   86.619  694.945   92.153  839.904  253.778  591.477   39.924  609.030  110.863 -17.55292 117.8323 
1 1 1   16    6   10 o  290.899   79.595  183.238   92.978   0.0000   0.0000  183.238   92.978  ?   ?   290.899   79.595      ?      ? 
1 1 1   16    6   11 o  473.648   51.608  613.744   68.663  737.308   79.581  253.822  135.821  610.632   33.396  336.664   97.663 273.9673 103.2153 
1 1 1   16    6   12 o  636.581   38.037  804.851   94.491  804.851   94.491   0.0000   0.0000  636.581   38.037  ?   ?       ?      ? 
1 1 1   16    6   13 o  241.840   49.550  128.881   50.634  155.308   63.411   82.384   84.110  270.735   61.428  212.946   77.764 57.78868 99.09962 
1 1 1   16    6   14 o  921.601   43.542  1698.83  156.597  1698.83  156.597   0.0000   0.0000  921.601   43.542  ?   ?       ?      ? 
1 1 1   16    6   15 o  157.512   42.273   34.373   17.276   34.637   17.581   26.954   93.136  129.840   34.216  185.184   77.312 -55.34425 84.54533 
1 1 1   16    6   16 o  213.789   29.607   90.386   24.701   90.386   24.701   0.0000   0.0000  213.789   29.607  ?   ?       ?      ? 
1 1 1   16    6   17 o  215.128   29.914   91.709   25.113   91.709   25.113   0.0000   0.0000  215.128   29.914  ?   ?       ?      ? 
1 1 1   16    6   18 o  479.986   36.302  461.462   67.997  461.462   67.997   0.0000   0.0000  479.986   36.302  ?   ?       ?      ? 
1 1 1   16    6   19 o  430.888  104.228  466.870  173.348  466.870  173.348   0.0000   0.0000  430.888  104.228  ?   ?       ?      ? 
1 1 1   16    6   20 o  607.049  151.458  1194.20  357.625  1194.20  357.625   0.0000   0.0000  607.049  151.458  ?   ?       ?      ? 
1 1 1   16    6   21 o  140.232   53.664   32.483   41.019   32.483   41.019   0.0000   0.0000  140.232   53.664  ?   ?       ?      ? 
1 1 1   16    6   22 o  132.471   52.352   25.692   40.036   25.692   40.036   0.0000   0.0000  132.471   52.352  ?   ?       ?      ? 
1 1 1   16    6   23 o  131.127   50.074   29.085   35.668   29.085   35.668   0.0000   0.0000  131.127   50.074  ?   ?       ?      ? 
1 1 1   16    6   24 o  157.282   60.562   45.824   52.451   45.824   52.451   0.0000   0.0000  157.282   60.562  ?   ?       ?      ? 
1 1 1   16    6   25 o  210.989   61.696  105.011   54.010  105.011   54.010   0.0000   0.0000  210.989   61.696  ?   ?       ?      ? 
1 1 1   16    6   26 o  403.183   54.904  365.200   86.385  365.200   86.385   0.0000   0.0000  403.183   54.904  ?   ?       ?      ? 
1 1 1   16    6   27 o   88.433   43.360 -83.0167   50.914 -83.0167   50.914   0.0000   0.0000   88.433   43.360  ?   ?       ?      ? 
1 1 1   16    6   28 o  136.417   41.400   22.463   38.139   24.603   46.811   18.238   65.776  131.635   54.871  141.199   62.008 -9.564102 82.79954 
1 1 1   16    6   29 o  144.910   37.025   48.276   28.759   64.559   32.141 -17.1094   64.409  166.470   47.269  123.351   57.002 43.11955 74.05086 
1 1 1   16    6   30 o  100.382   43.656   3.2208   31.914   3.2208   31.914   0.0000   0.0000  100.382   43.656  ?   ?       ?      ? 
1 1 1   16    6   31 o  135.638   48.088   40.744   31.886   40.744   31.886   0.0000   0.0000  135.638   48.088  ?   ?       ?      ? 
1 1 1   16    7    0 o  454.212   22.482  385.375   35.959  359.729   41.925  456.742   69.938  428.001   25.101  480.422   37.305 -52.42084 44.96340 
1 1 1   16    7    1 o  290.761   39.043  244.129   28.279  268.574   30.339   82.290   78.065  370.173   21.002  211.348   75.209 158.8243 78.08685 
1 1 1   16    7    2 o  478.164   21.841  459.661   39.000  485.578   49.361  416.605   63.622  497.213   25.440  459.115   35.510 38.09750 43.68264 
1 1 1   16    7    3 o  558.911   26.424  611.414   57.266  681.108   87.208  558.579   75.932  586.442   38.107  531.380   36.617 55.06189 52.84820 
1 1 1   16    7    4 o  703.306   28.174  978.982   77.183  947.383  105.404  1015.51  113.334  691.317   39.071  715.295   40.602 -23.97827 56.34714 
1 1 1   16    7    5 o  280.221   35.832  212.554   32.061  266.915   37.647   69.067   61.164  368.520   26.178  191.921   66.712 176.5989 71.66434 
1 1 1   16    7    6 f  567.110   36.606  636.654   81.012  636.654   81.012   0.0000   0.0000  567.110   36.606  ?   ?       ?      ? 
1 1 1   16    7    7 o  602.425   50.809  613.835   74.076  580.658   77.706  944.276  245.236  541.466   36.775  663.384   94.730 -121.9173 101.6180 
1 1 1   16    7    8 o  184.951   27.927   84.915   20.697  119.586   25.388   16.210   35.738  246.589   26.383  123.314   49.231 123.2746 55.85431 
1 1 1   16    7    9 o  245.405   38.971  120.443   30.594  118.461   34.088  128.650   69.368  244.579   35.715  246.231   69.277 -1.651978 77.94119 
1 1 1   16    7   10 o  322.902   36.039  206.621   45.413  206.621   45.413   0.0000   0.0000  322.902   36.039  ?   ?       ?      ? 
1 1 1   16    7   11 o  363.995   46.685  347.447   49.906  398.290   56.528  167.755  106.270  448.928   32.266  279.061   87.618 169.8669 93.37025 
1 1 1   16    7   12 o  530.385   80.961  648.793  161.677  723.752  246.059  591.844  214.474  555.774  117.144  504.995  111.786 50.77951 161.9222 
1 1 1   16    7   13 o  374.624   37.441  278.862   54.736  278.862   54.736   0.0000   0.0000  374.624   37.441  ?   ?       ?      ? 
1 1 1   16    7   14 o  182.556   46.421   50.211   34.601   41.785   38.317   87.450   80.550  150.941   52.783  214.170   76.378 -63.22922 92.84164 
1 1 1   16    7   15 o  370.423   38.677  273.701   55.910  273.701   55.910   0.0000   0.0000  370.423   38.677  ?   ?       ?      ? 
1 1 1   16    7   16 o  457.130   68.458  477.207   72.778  477.497   76.417  474.384  238.677  488.224   40.109  426.035  130.909 62.18909 136.9155 
1 1 1   16    7   17 o  191.073   56.732   77.085   45.372   77.085   45.372   0.0000   0.0000  191.073   56.732  ?   ?       ?      ? 
1 1 1   16    7   18 f  139.160   58.248   13.400   53.062   13.400   53.062   0.0000   0.0000  139.160   58.248  ?   ?       ?      ? 
1 1 1   16    7   19 o  204.071   64.717   90.536   57.850   90.536   57.850   0.0000   0.0000  204.071   64.717  ?   ?       ?      ? 
1 1 1   16    7   20 o  179.407   32.429   66.554   21.869   66.554   21.869   0.0000   0.0000  179.407   32.429  ?   ?       ?      ? 
1 1 1   16    7   21 o  211.893   31.257   90.504   25.846   90.504   25.846   0.0000   0.0000  211.893   31.257  ?   ?       ?      ? 
1 1 1   16    7   22 o  111.023   31.640   25.619   14.373   25.619   14.373   0.0000   0.0000  111.023   31.640  ?   ?       ?      ? 
1 1 1   16    7   23 o  118.775   33.246   29.612   16.019   29.612   16.019   0.0000   0.0000  118.775   33.246  ?   ?       ?      ? 
1 1 1   16    7   25 o  314.965   70.804  244.338   84.910  244.338   84.910   0.0000   0.0000  314.965   70.804  ?   ?       ?      ? 
1 1 1   16    7   26 o  202.678   40.318  104.996   27.083  110.652   28.401   48.265   89.940  232.141   31.351  173.216   74.292 58.92526 80.63580 
1 1 1   16    7   27 o  110.906   34.875   12.475   17.609   15.620   18.065 -47.4059   78.837   95.516   35.827  126.295   59.845 -30.77958 69.74938 
1 1 1   16    7   28 o  186.620   38.473   93.534   26.851  101.080   28.126   15.883   90.221  219.774   32.794  153.465   69.607 66.30878 76.94547 
1 1 1   16    7   29 o  337.248   29.798  235.651   39.217  235.651   39.217   0.0000   0.0000  337.248   29.798  ?   ?       ?      ? 
1 1 1   16    7   30 o  134.729   45.637   40.289   28.573   40.289   28.573   0.0000   0.0000  134.729   45.637  ?   ?       ?      ? 
1 1 1   16    7   31 o   90.972   41.149  -8.1293   31.279  -8.1293   31.279   0.0000   0.0000   90.972   41.149  ?   ?       ?      ? 
1 1 1   16    8    0 o  321.216   19.960  210.621   23.051  224.631   28.202  182.429   40.007  338.484   21.351  303.947   33.730 34.53748 39.91921 
1 1 1   16    8    1 o  587.165   28.465  683.516   65.154  728.752   93.688  641.147   90.670  606.117   39.609  568.214   40.890 37.90295 56.92902 
1 1 1   16    8    2 o  319.293   42.460  269.495   47.529   78.976   83.684  360.215   57.746  211.648   77.525  426.938   34.660 -215.2901 84.92011 
1 1 1   16    8    3 f  564.596   25.551  615.999   55.617  759.044   86.268  514.254   72.756  619.474   35.686  509.718   36.577 109.7560 51.10143 
1 1 1   16    8    4 o  181.037   31.481   77.256   22.301   94.685   25.947   27.984   43.628  219.189   30.335  142.886   55.173 76.30284 62.96273 
1 1 1   16    8    5 o  173.422   37.700   55.116   24.228   50.695   27.310   71.451   52.499  157.101   43.200  189.742   61.796 -32.64145 75.39948 
1 1 1   16    8    6 o  521.315   49.276  481.203   64.805  458.836   68.478  673.065  200.560  481.323   36.457  561.307   91.561 -79.98422 98.55247 
1 1 1   16    8    7 o  804.363   68.186  1297.00  127.193  1272.41  133.830  1526.72  408.984  799.077   42.917  809.649  129.443 -10.57202 136.3719 
1 1 1   16    8    8 o  503.754   52.260  464.201   65.688  442.644   69.721  634.560  195.997  472.319   37.826  535.188   97.434 -62.86963 104.5193 
1 1 1   16    8    9 f  558.390   38.446  619.263   83.776  619.263   83.776   0.0000   0.0000  558.390   38.446  ?   ?       ?      ? 
1 1 1   16    8   10 o  227.114   53.739  108.206   46.886  108.206   46.886   0.0000   0.0000  227.114   53.739  ?   ?       ?      ? 
1 1 1   16    8   11 o  819.868   44.525  1344.48  142.455  1344.48  142.455   0.0000   0.0000  819.868   44.525  ?   ?       ?      ? 
1 1 1   16    8   12 o  197.499   43.924   81.620   36.006   89.921   41.751   57.530   71.124  207.120   51.792  187.879   70.958 19.24135 87.84843 
1 1 1   16    8   13 f  518.661   39.162  535.928   79.265  535.928   79.265   0.0000   0.0000  518.661   39.162  ?   ?       ?      ? 
1 1 1   16    8   14 o  172.703   45.911   40.098   32.256   33.977   35.018   74.389   82.877  139.723   50.302  205.684   76.818 -65.96124 91.82193 
1 1 1   16    8   15 o  281.409   57.094  173.356   55.559  176.519   60.699  157.018  137.952  289.321   55.783  273.496   99.634 15.82513 114.1875 
1 1 1   16    8   16 o  192.589   56.611   51.430   36.765   54.888   37.473 -37.5834  190.135  164.248   52.086  220.931  100.531 -56.68283 113.2226 
1 1 1   16    8   17 o  489.213   49.782  491.182   95.040  491.182   95.040   0.0000   0.0000  489.213   49.782  ?   ?       ?      ? 
1 1 1   16    8   18 f  612.242   75.404  831.476  180.155  831.476  180.155   0.0000   0.0000  612.242   75.404  ?   ?       ?      ? 
1 1 1   16    8   19 o  349.939   66.958  274.676   88.106  274.676   88.106   0.0000   0.0000  349.939   66.958  ?   ?       ?      ? 
1 1 1   16    8   20 o  353.021  106.398  348.132  158.707  348.132  158.707   0.0000   0.0000  353.021  106.398  ?   ?       ?      ? 
1 1 1   16    8   21 o  384.299   31.232  298.308   46.839  298.308   46.839   0.0000   0.0000  384.299   31.232  ?   ?       ?      ? 
1 1 1   16    8   22 o  163.012   30.799   55.363   18.874   55.363   18.874   0.0000   0.0000  163.012   30.799  ?   ?       ?      ? 
1 1 1   16    8   23 o  158.516   31.200   52.583   18.613   52.583   18.613   0.0000   0.0000  158.516   31.200  ?   ?       ?      ? 
1 1 1   16    8   24 o  264.895   86.745  191.631  103.393  191.631  103.393   0.0000   0.0000  264.895   86.745  ?   ?       ?      ? 
1 1 1   16    8   25 o  207.934   30.468   88.231   24.723   88.231   24.723   0.0000   0.0000  207.934   30.468  ?   ?       ?      ? 
1 1 1   16    8   26 o  344.812   28.917  243.109   38.911  243.109   38.911   0.0000   0.0000  344.812   28.917  ?   ?       ?      ? 
1 1 1   16    8   27 o  400.619   28.121  329.156   43.963  329.156   43.963   0.0000   0.0000  400.619   28.121  ?   ?       ?      ? 
1 1 1   16    8   28 o  107.821   37.140   23.642   18.936   23.642   18.936   0.0000   0.0000  107.821   37.140  ?   ?       ?      ? 
1 1 1   16    8   29 o  188.426   35.538   77.291   25.174   77.291   25.174   0.0000   0.0000  188.426   35.538  ?   ?       ?      ? 
1 1 1   16    8   30 o  189.886   40.567   91.988   26.723   95.189   27.881   55.842   93.694  212.099   33.686  167.674   73.812 44.42470 81.13488 
1 1 1   16    9    0 o  439.174   35.440  381.595   60.738   0.0000   0.0000  381.595   60.738  ?   ?   439.174   35.440      ?      ? 
1 1 1   16    9    1 o  562.344   56.474  646.980   77.038  640.495   82.085  694.915  223.157  568.616   36.992  556.072  106.717 12.54352 112.9472 
1 1 1   16    9    2 o  336.997   45.169  267.076   43.463  284.822   48.066  187.498  101.784  379.832   32.427  294.163   84.318 85.66870 90.33815 
1 1 1   16    9    3 o  571.329   37.308  646.929   83.181  646.929   83.181   0.0000   0.0000  571.329   37.308  ?   ?       ?      ? 
1 1 1   16    9    4 o  349.461   37.536  242.127   51.190  242.127   51.190   0.0000   0.0000  349.461   37.536  ?   ?       ?      ? 
1 1 1   16    9    5 o  375.707   36.434  279.665   53.418  279.665   53.418   0.0000   0.0000  375.707   36.434  ?   ?       ?      ? 
1 1 1   16    9    6 o  259.731   40.966  146.574   35.100  153.276   39.697  122.566   75.137  278.089   36.580  241.372   73.312 36.71736 81.93127 
1 1 1   16    9    7 o  279.489   41.089  161.327   37.613  161.376   42.791  161.163   78.884  285.063   38.466  273.915   72.620 11.14813 82.17815 
1 1 1   16    9    8 o  248.413   46.712  122.897   40.770  115.997   46.467  145.974   84.977  235.629   51.933  261.197   77.660 -25.56757 93.42412 
1 1 1   16    9    9 o  369.003   38.008  270.476   54.732  270.476   54.732   0.0000   0.0000  369.003   38.008  ?   ?       ?      ? 
1 1 1   16    9   10 o  710.748   62.210  885.404  103.507  839.777  108.283  1368.71  352.418  648.517   42.787  772.979  116.831 -124.4619 124.4195 
1 1 1   16    9   11 o  567.925   42.977  644.622   95.248  644.622   95.248   0.0000   0.0000  567.925   42.977  ?   ?       ?      ? 
1 1 1   16    9   12 f  644.390   40.746  828.740  102.463  828.740  102.463   0.0000   0.0000  644.390   40.746  ?   ?       ?      ? 
1 1 1   16    9   13 o  135.604   39.515   19.944   26.246   23.630   28.283  -2.9172   70.439  121.478   44.972  149.730   64.987 -28.25179 79.03012 
1 1 1   16    9   14 o  347.285   56.480  274.885   61.377  282.736   67.622  238.166  146.237  374.290   46.296  320.280  103.036 54.01028 112.9595 
1 1 1   16    9   15 o  212.527   55.515   82.516   44.262   86.472   46.390   42.335  147.843  201.699   56.619  223.355   95.508 -21.65547 111.0293 
1 1 1   16    9   16 f  258.993   70.570   75.636   58.618   58.012   60.882  299.503  216.985  178.766   66.021  339.220  124.747 -160.4542 141.1404 
1 1 1   16    9   17 o  156.073   53.899   47.500   39.895   47.500   39.895   0.0000   0.0000  156.073   53.899  ?   ?       ?      ? 
1 1 1   16    9   18 o  192.239   73.089   69.478   75.780   69.478   75.780   0.0000   0.0000  192.239   73.089  ?   ?       ?      ? 
1 1 1   16    9   19 o  152.210   65.390   12.980   69.885   12.980   69.885   0.0000   0.0000  152.210   65.390  ?   ?       ?      ? 
1 1 1   16    9   20 o  596.576   85.271  870.214  198.517  870.214  198.517   0.0000   0.0000  596.576   85.271  ?   ?       ?      ? 
1 1 1   16    9   21 o  239.492   72.030  138.691   72.793  138.691   72.793   0.0000   0.0000  239.492   72.030  ?   ?       ?      ? 
1 1 1   16    9   22 o  439.008  122.242  632.161  217.158  632.161  217.158   0.0000   0.0000  439.008  122.242  ?   ?       ?      ? 
1 1 1   16    9   23 o  430.237   33.273  378.296   55.863  378.296   55.863   0.0000   0.0000  430.237   33.273  ?   ?       ?      ? 
1 1 1   16    9   24 o  168.055   66.945   53.338   65.952   53.338   65.952   0.0000   0.0000  168.055   66.945  ?   ?       ?      ? 
1 1 1   16    9   25 o  209.668   28.301   89.433   23.156   89.433   23.156   0.0000   0.0000  209.668   28.301  ?   ?       ?      ? 
1 1 1   16    9   26 o  147.453   37.997   43.879   17.734   45.831   18.066  -7.7320   92.912  146.038   32.534  148.869   68.677 -2.831146 75.99360 
1 1 1   16    9   27 o  198.611   39.344  111.561   26.342  118.447   27.166   3.0964  107.811  239.690   29.043  157.533   73.131 82.15732 78.68713 
1 1 1   16    9   28 o  226.270   42.809  149.183   33.056  157.339   34.643   66.243  110.472  274.142   32.383  178.398   79.257 95.74316 85.61752 
1 1 1   16    9   29 o  273.116   46.541  246.989   43.337  262.682   45.630  102.498  138.456  353.250   33.101  192.982   86.998 160.2683 93.08191 
1 1 1   16    9   30 o  123.775   34.395   30.955   21.858   40.655   22.507 -129.9459   91.668  134.407   39.969  113.144   55.988 21.26358 68.79055 
1 1 1   16   10    0 o  406.775   50.500  328.604   54.829  321.009   59.089  375.655  147.067  402.293   37.638  411.257   93.724 -8.964050 100.9993 
1 1 1   16   10    1 o  407.277   67.917  370.869  106.216  356.957  151.752  384.229  148.717  398.624   98.196  415.931   93.854 -17.30679 135.8344 
1 1 1   16   10    2 o  539.157   78.519  665.042  159.720  622.570  224.303  708.729  227.486  519.251  113.833  559.064  108.182 -39.81317 157.0389 
1 1 1   16   10    3 o  224.130   34.901  120.670   30.211  158.126   36.959   45.241   52.447  282.804   33.489  165.456   61.244 117.3476 69.80170 
1 1 1   16   10    4 o  546.855   55.857  563.844   75.864  541.780   80.607  734.937  224.467  522.073   39.565  571.637  104.474 -49.56378 111.7144 
1 1 1   16   10    5 o  481.935   53.610  491.642   70.144  492.222   76.483  488.572  175.961  497.608   39.387  466.262   99.724 31.34644 107.2204 
1 1 1   16   10    6 f  205.582   51.547   88.388   41.278   88.388   41.278   0.0000   0.0000  205.582   51.547  ?   ?       ?      ? 
1 1 1   16   10    7 o  487.185   44.664  474.632   84.915  474.632   84.915   0.0000   0.0000  487.185   44.664  ?   ?       ?      ? 
1 1 1   16   10    8 o  469.217   42.535  439.425   77.885  439.425   77.885   0.0000   0.0000  469.217   42.535  ?   ?       ?      ? 
1 1 1   16   10    9 o  330.300   52.042  204.341   55.025  181.841   61.366  296.648  124.295  295.195   55.302  365.404   88.177 -70.20883 104.0839 
1 1 1   16   10   10 o  384.780   49.819  256.722   61.225  215.951   68.069  429.420  140.095  326.509   53.423  443.052   84.105 -116.5430 99.63708 
1 1 1   16   10   11 o  142.952   37.817   33.059   26.606   36.813   31.096   22.804   51.401  139.924   47.608  145.979   58.771 -6.054520 75.63492 
1 1 1   16   10   12 o  261.529   45.251  160.822   44.837  186.537   52.387   90.393   86.697  304.822   44.040  218.237   79.065 86.58525 90.50258 
1 1 1   16   10   13 o  276.825   55.469  185.020   66.049  229.475   78.213   74.501  123.321  327.736   63.446  225.914   91.005 101.8226 110.9384 
1 1 1   16   10   14 o  167.366   50.346   24.927   42.606   27.757   45.694   6.0931  117.895  143.189   56.136  191.542   83.593 -48.35374 100.6926 
1 1 1   16   10   15 o  206.557   59.049   69.403   62.607   85.307   67.394 -30.7827  169.151  203.871   70.074  209.243   95.061 -5.372864 118.0977 
1 1 1   16   10   16 o  245.247   68.878   73.041   43.196   67.070   43.941  244.535  235.501  178.773   56.372  311.721  125.694 -132.9481 137.7559 
1 1 1   16   10   17 o  221.486   61.133  108.611   54.569  108.611   54.569   0.0000   0.0000  221.486   61.133  ?   ?       ?      ? 
1 1 1   16   10   18 o  210.396   77.354   94.631   83.426   94.631   83.426   0.0000   0.0000  210.396   77.354  ?   ?       ?      ? 
1 1 1   16   10   19 o  263.274   70.855  163.884   74.401  163.884   74.401   0.0000   0.0000  263.274   70.855  ?   ?       ?      ? 
1 1 1   16   10   20 o  208.094   68.231  100.378   63.961  100.378   63.961   0.0000   0.0000  208.094   68.231  ?   ?       ?      ? 
1 1 1   16   10   21 o  140.633   53.840   34.503   41.299   34.503   41.299   0.0000   0.0000  140.633   53.840  ?   ?       ?      ? 
1 1 1   16   10   22 o  163.709   60.086   54.881   50.306   54.881   50.306   0.0000   0.0000  163.709   60.086  ?   ?       ?      ? 
1 1 1   16   10   23 o  207.676   89.314   85.941  130.625   85.941  130.625   0.0000   0.0000  207.676   89.314  ?   ?       ?      ? 
1 1 1   16   10   25 o  306.830   49.079  318.769   47.813  340.998   50.257  106.753  155.208  406.320   31.695  207.340   92.901 198.9799 98.15900 
1 1 1   16   10   26 o  153.694   40.807   44.511   18.203   45.279   18.477   19.247  105.985  144.581   33.418  162.807   74.458 -18.22583 81.61378 
1 1 1   16   10   27 o  158.123   41.260   49.417   19.694   50.047   20.052   32.208  104.764  151.355   34.691  164.890   74.873 -13.53499 82.51927 
1 1 1   16   10   28 o  166.534   39.613   67.191   22.679   70.776   23.195 -10.6760  108.108  180.832   34.120  152.236   71.502 28.59633 79.22541 
1 1 1   16   10   29 o  192.295   47.529  107.675   46.071  123.708   49.988   17.237  118.723  222.146   57.290  162.444   75.854 59.70221 95.05782 
1 1 1   16   11    0 o  228.236   46.559  105.204   41.095   98.301   49.057  121.444   75.247  216.291   57.232  240.181   73.454 -23.89006 93.11823 
1 1 1   16   11    1 o  217.904   45.426   99.697   40.582  103.954   51.027   92.368   66.943  222.207   58.165  213.602   69.792 8.605164 90.85226 
1 1 1   16   11    2 o  778.018   66.841  1142.20  120.472  1102.46  126.308  1542.71  400.966  743.064   43.559  812.971  126.387 -69.90674 133.6821 
1 1 1   16   11    3 f  761.351  103.977  1447.99  297.565  1343.62  412.482  1561.26  429.686  728.576  150.073  794.125  143.954 -65.54926 207.9535 
1 1 1   16   11    4 o  1020.29   86.532  1904.35  173.848  1827.08  179.390  3097.30  704.851  953.966   48.187  1086.62  166.221 -132.6588 173.0648 
1 1 1   16   11    5 o  580.803   55.937  602.571   85.200  567.828   90.495  873.667  252.786  533.149   43.495  628.456  103.074 -95.30688 111.8748 
1 1 1   16   11    6 o  469.299   56.351  465.043   74.401  462.275   81.571  478.740  181.479  480.992   43.458  457.605  103.987 23.38684 112.7025 
1 1 1   16   11    7 o  322.112   45.844  237.793   51.156  267.578   61.136  168.233   93.426  365.997   42.804  278.227   81.082 87.77011 91.68711 
1 1 1   16   11    8 o  209.121   42.819   94.084   37.437  110.530   47.517   67.168   60.790  229.232   54.006  189.010   66.462 40.22304 85.63790 
1 1 1   16   11    9 o  380.970   49.883  292.906   74.161  292.906   74.161   0.0000   0.0000  380.970   49.883  ?   ?       ?      ? 
1 1 1   16   11   10 o  840.180   46.748  1420.85  153.274  1420.85  153.274   0.0000   0.0000  840.180   46.748  ?   ?       ?      ? 
1 1 1   16   11   11 o  184.561   63.671   65.983   55.663   65.983   55.663   0.0000   0.0000  184.561   63.671  ?   ?       ?      ? 
1 1 1   16   11   12 o  968.123  110.082  2199.39  415.890  2199.39  415.890   0.0000   0.0000  968.123  110.082  ?   ?       ?      ? 
1 1 1   16   11   13 o  251.918   72.932  139.896   75.812  139.896   75.812   0.0000   0.0000  251.918   72.932  ?   ?       ?      ? 
1 1 1   16   11   14 o  220.639   66.460  105.788   61.936  105.788   61.936   0.0000   0.0000  220.639   66.460  ?   ?       ?      ? 
1 1 1   16   11   15 o  187.847   59.593   74.656   49.048   74.656   49.048   0.0000   0.0000  187.847   59.593  ?   ?       ?      ? 
1 1 1   16   11   16 o  169.537   57.256   58.779   44.972   58.779   44.972   0.0000   0.0000  169.537   57.256  ?   ?       ?      ? 
1 1 1   16   11   17 o  406.664  105.955  444.875  169.837  444.875  169.837   0.0000   0.0000  406.664  105.955  ?   ?       ?      ? 
1 1 1   16   11   18 o  194.883   69.195   82.231   66.043   82.231   66.043   0.0000   0.0000  194.883   69.195  ?   ?       ?      ? 
1 1 1   16   11   19 o  255.034   81.702  163.695   92.022  163.695   92.022   0.0000   0.0000  255.034   81.702  ?   ?       ?      ? 
1 1 1   16   11   25 o  195.305   56.549   97.813   73.946  142.981   91.914   14.943  124.499  220.846   81.194  169.764   78.731 51.08209 113.0975 
1 1 1   16   11   26 o  180.449   54.138   77.433   65.362   94.476   74.828   22.572  134.254  188.693   72.416  172.204   80.496 16.48862 108.2757 
1 1 1   16   11   27 o  170.383   52.950   50.237   57.982   39.089   65.392   91.231  125.396  151.032   64.015  189.734   84.360 -38.70169 105.8992 
1 1 1   16   11   28 o  140.853   45.942   6.5380   49.513   10.184   55.112  -8.7204  112.739  127.729   56.400  153.978   72.537 -26.24979 91.88354 
1 1 1   16   11   29 o  124.925   36.656   26.993   16.679   29.424   16.906 -61.5629  102.053  116.138   34.664  133.712   64.598 -17.57460 73.31143 
1 1 1   16   12    0 o  226.370   50.313   90.748   46.145   66.007   54.340  154.721   87.379  184.870   62.935  267.870   78.515 -82.99962 100.6253 
1 1 1   16   12    1 o  267.574   37.907  171.446   39.591  255.332   51.531   50.587   61.853  358.658   36.817  176.491   66.274 182.1678 75.81438 
1 1 1   16   12    2 o  851.365   70.465  1251.30  138.772  1175.24  144.845  2101.81  484.349  764.645   48.541  938.085  132.307 -173.4407 140.9309 
1 1 1   16   12    3 o  361.957   51.630  276.724   64.083  275.529   75.014  279.952  123.284  369.387   52.039  354.526   89.189 14.86172 103.2601 
1 1 1   16   12    4 o  450.375   55.250  365.785   77.365  321.448   85.571  564.244  181.043  398.095   55.082  502.654   95.793 -104.5587 110.5002 
1 1 1   16   12    5 o  154.347   41.394   36.142   34.695   19.692   53.575   48.023   45.533  146.160   59.580  162.533   57.482 -16.37245 82.78860 
1 1 1   16   12    6 o  419.295   56.996  341.985   74.785  316.030   83.308  449.719  169.729  394.724   54.083  443.867  100.344 -49.14377 113.9910 
1 1 1   16   12    7 o  698.506   47.752  982.227  130.164  982.227  130.164   0.0000   0.0000  698.506   47.752  ?   ?       ?      ? 
1 1 1   16   12    8 o  306.258   50.756  210.988   59.848  242.467   74.892  155.363   99.553  344.874   55.647  267.641   84.900 77.23370 101.5115 
1 1 1   16   12    9 o  239.188   76.047  121.675   79.839  121.675   79.839   0.0000   0.0000  239.188   76.047  ?   ?       ?      ? 
1 1 1   16   12   10 o  413.158   80.729  377.446  125.493  377.446  125.493   0.0000   0.0000  413.158   80.729  ?   ?       ?      ? 
1 1 1   16   12   11 o  181.466   47.867   57.838   44.657   64.136   55.651   46.447   74.839  182.101   63.616  180.831   71.540 1.269348 95.73366 
1 1 1   16   12   12 o  209.686   51.752   84.693   61.387  144.319   72.131 -71.9446  116.910  255.571   70.180  163.801   76.079 91.77068 103.5048 
1 1 1   16   12   13 o  317.760   72.450  242.954  102.640  194.075  137.449  304.570  154.321  286.751   99.987  348.769  104.872 -62.01785 144.8990 
1 1 1   16   12   14 o  293.020   65.641  194.520   72.379  188.622   80.029  221.025  169.643  288.572   71.445  297.469  110.138 -8.896790 131.2817 
1 1 1   16   12   15 o  272.393   67.132  148.975   61.234  141.596   64.205  223.238  203.669  250.885   65.039  293.900  117.459 -43.01439 134.2633 
1 1 1   16   12   16 o  219.664   65.334   75.287   51.648   75.172   52.789   77.868  249.783  186.874   62.021  252.454  115.010 -65.57997 130.6671 
1 1 1   16   12   17 o  273.558   70.113  176.030   75.194  176.030   75.194   0.0000   0.0000  273.558   70.113  ?   ?       ?      ? 
1 1 1   16   12   18 o  200.491   66.177   91.609   60.131   91.609   60.131   0.0000   0.0000  200.491   66.177  ?   ?       ?      ? 
1 1 1   16   12   19 o  194.214   79.822   69.699   97.156   69.699   97.156   0.0000   0.0000  194.214   79.822  ?   ?       ?      ? 
1 1 1   16   12   20 o  116.125   49.912   4.9740   40.751   4.9740   40.751   0.0000   0.0000  116.125   49.912  ?   ?       ?      ? 
1 1 1   16   12   21 o  202.648   74.450   96.479   77.260   96.479   77.260   0.0000   0.0000  202.648   74.450  ?   ?       ?      ? 
1 1 1   16   12   22 o  248.450   81.373  165.802   90.982  165.802   90.982   0.0000   0.0000  248.450   81.373  ?   ?       ?      ? 
1 1 1   16   12   23 f  162.216   65.629   49.478   64.436   49.478   64.436   0.0000   0.0000  162.216   65.629  ?   ?       ?      ? 
1 1 1   16   12   24 o  154.640   73.075 -30.6045  116.038 -30.6045  116.038   0.0000   0.0000  154.640   73.075  ?   ?       ?      ? 
1 1 1   16   12   25 o  168.663   51.994   52.939   59.077   59.332   66.905   30.313  125.868  164.908   66.820  172.419   79.679 -7.510529 103.9888 
1 1 1   16   12   26 o  207.497   48.993   83.676   24.159   80.990   24.541  167.820  137.369  196.878   31.943  218.115   92.634 -21.23683 97.98651 
1 1 1   16   12   27 o  191.471   40.717  101.574   26.941  107.466   27.466 -48.2492  138.499  227.038   31.000  155.903   75.304 71.13448 81.43498 
1 1 1   16   12   28 o  193.754   41.929  102.414   27.540  106.981   28.088 -11.3808  140.204  225.650   31.897  161.858   77.554 63.79190 83.85713 
1 1 1   16   13    0 o  723.503   44.542  1048.93  125.759  1048.93  125.759   0.0000   0.0000  723.503   44.542  ?   ?       ?      ? 
1 1 1   16   13    1 f  442.823   54.968  351.663   71.275  316.556   77.593  541.278  180.327  396.036   50.206  489.610   97.802 -93.57312 109.9358 
1 1 1   16   13    2 o  210.982   47.327   84.425   42.549   63.718   52.713  123.144   72.080  181.582   61.985  240.382   71.536 -58.79948 94.65446 
1 1 1   16   13    3 o  131.320   36.330   21.791   26.799   26.176   40.997   18.520   35.412  137.965   53.425  124.674   49.247 13.29073 72.66010 
1 1 1   16   13    4 o  916.122   91.149  1870.84  178.896  1839.60  188.089  2167.17  579.310  953.912   50.527  878.333  175.157 75.57916 182.2987 
1 1 1   16   13    5 o  431.761   51.784  399.275   72.791  401.653   84.149  392.205  145.083  446.225   48.324  417.297   91.604 28.92764 103.5687 
1 1 1   16   13    6 o  436.670   61.203  403.444   96.024  373.490  115.781  469.446  171.864  422.202   70.272  451.138  100.226 -28.93649 122.4067 
1 1 1   16   13    7 o  496.310  108.882  583.665  205.085   0.0000   0.0000  583.665  205.085  ?   ?   496.310  108.882      ?      ? 
1 1 1   16   13    9 o  531.275   83.701  618.742  173.534  618.742  173.534   0.0000   0.0000  531.275   83.701  ?   ?       ?      ? 
1 1 1   16   13   10 o  766.341   97.322  1352.63  291.047  1352.63  291.047   0.0000   0.0000  766.341   97.322  ?   ?       ?      ? 
1 1 1   16   13   11 o  365.417   65.736  325.821   93.166  353.303  117.160  278.552  153.653  395.930   78.601  334.904  105.389 61.02655 131.4721 
1 1 1   16   13   12 o  280.639   61.990  194.309   77.668  228.998   92.679  112.482  142.344  316.915   75.934  244.362   98.006 72.55331 123.9805 
1 1 1   16   13   13 f  263.106   62.350  157.361   68.467  156.083   77.764  161.770  144.400  261.063   73.314  265.149  100.872 -4.085968 124.7003 
1 1 1   16   13   14 o  256.408   65.385  112.794   60.398   92.584   64.506  256.482  172.000  205.695   68.573  307.121  111.349 -101.4255 130.7702 
1 1 1   16   13   15 o  194.032   59.474   49.400   45.132   50.639   46.246   24.627  206.800  160.838   57.818  227.226  103.952 -66.38786 118.9490 
1 1 1   16   13   16 o  235.411   72.530   82.044   82.972   66.506   87.515  220.155  260.918  191.607   76.847  279.215  123.032 -87.60855 145.0601 
1 1 1   16   13   17 o  163.356   69.152   29.474   76.153   29.474   76.153   0.0000   0.0000  163.356   69.152  ?   ?       ?      ? 
1 1 1   16   13   18 o  189.587   66.047   80.500   59.967   80.500   59.967   0.0000   0.0000  189.587   66.047  ?   ?       ?      ? 
1 1 1   16   13   19 o  118.029   50.189   8.2186   40.414   8.2186   40.414   0.0000   0.0000  118.029   50.189  ?   ?       ?      ? 
1 1 1   16   13   20 o  213.759   93.361   87.594  147.316   87.594  147.316   0.0000   0.0000  213.759   93.361  ?   ?       ?      ? 
1 1 1   16   13   21 o  208.145   74.360  106.857   76.382  106.857   76.382   0.0000   0.0000  208.145   74.360  ?   ?       ?      ? 
1 1 1   16   13   22 o  169.188   65.832   60.308   62.481   60.308   62.481   0.0000   0.0000  169.188   65.832  ?   ?       ?      ? 
1 1 1   16   13   24 o  164.593   76.627   8.6290  119.719   8.6290  119.719   0.0000   0.0000  164.593   76.627  ?   ?       ?      ? 
1 1 1   16   13   25 o  150.217   50.755 -40.5772   81.761 -65.8896  106.741  -4.6426  127.181  138.103   66.556  162.330   76.646 -24.22702 101.5100 
1 1 1   16   13   26 o  173.566   57.095   35.462   92.505   26.516  120.890   48.099  143.688  167.686   77.702  179.445   83.677 -11.75906 114.1901 
1 1 1   16   13   27 o  148.495   45.965   28.975   16.664   28.537   16.767   64.167  150.335  114.775   34.581  182.215   85.177 -67.43948 91.92899 
1 1 1   16   13   28 o  336.944   51.531  438.999   55.975  458.045   58.185  202.492  205.035  465.804   32.010  208.084   97.964 257.7193 103.0611 
1 1 1   16   14    0 o  164.216   59.619   47.571   49.333   47.571   49.333   0.0000   0.0000  164.216   59.619  ?   ?       ?      ? 
1 1 1   16   14    1 o  224.087   44.260  107.888   42.011  143.633   57.343   66.473   61.725  260.040   57.985  188.134   66.884 71.90648 88.51995 
1 1 1   16   14    2 o  631.897   68.533  884.690  112.693  880.588  122.041  908.431  293.602  660.438   47.352  603.357  128.626 57.08112 137.0651 
1 1 1   16   14    3 o  160.619   42.158   42.100   35.470   55.696   51.212   29.564   49.174  172.688   60.973  148.550   58.235 24.13824 84.31548 
1 1 1   16   14    4 o  393.125   56.018  341.117   77.168  347.333   92.048  326.418  141.556  411.141   57.371  375.108   96.232 36.03265 112.0355 
1 1 1   16   14    5 o  348.412   54.290  275.944   71.461  310.780   90.561  218.458  116.333  387.669   59.862  309.155   90.588 78.51404 108.5798 
1 1 1   16   14    6 o  188.916   47.833   67.548   44.708   68.179   62.265   66.876   64.235  188.949   67.176  188.882   68.113 0.6698608E-01 95.66614 
1 1 1   16   14    7 o  755.645  171.563  1735.12  494.355  1735.12  494.355   0.0000   0.0000  755.645  171.563  ?   ?       ?      ? 
1 1 1   16   14    8 o  398.993   88.019  367.547  133.370  367.547  133.370   0.0000   0.0000  398.993   88.019  ?   ?       ?      ? 
1 1 1   16   14    9 o  233.092   57.461  115.775   63.556  115.997   82.555  115.452   99.584  231.396   77.577  234.788   84.787 -3.391693 114.9220 
1 1 1   16   14   10 o  745.618   97.051  1316.76  282.389  1316.76  282.389   0.0000   0.0000  745.618   97.051  ?   ?       ?      ? 
1 1 1   16   14   11 o  193.479   52.867   52.414   52.845   27.324   62.729  113.747   98.076  156.556   64.218  230.402   83.998 -73.84604 105.7338 
1 1 1   16   14   12 o  284.571   72.190  204.398  104.066  155.054  154.580  245.299  140.736  261.019  102.959  308.122  101.219 -47.10260 144.3807 
1 1 1   16   14   13 o  160.158   51.173 -11.6861   64.584   5.8158   76.681 -54.4047  119.798  154.646   67.455  165.670   76.969 -11.02368 102.3451 
1 1 1   16   14   14 o  270.744   72.826  156.290   96.725   99.498  112.837  313.652  187.827  219.619   87.540  321.868  116.410 -102.2486 145.6526 
1 1 1   16   14   15 o  166.484   58.496 -63.1613   43.631 -71.9627   44.630  126.896  207.392   85.499   41.633  247.469  109.333 -161.9697 116.9914 
1 1 1   16   14   16 o  152.394   54.409 -52.5025   54.313 -45.2235   55.643 -199.2634  249.852  109.017   51.233  195.772   96.002 -86.75480 108.8173 
1 1 1   16   14   17 o  246.279   89.537  159.624  111.325  159.624  111.325   0.0000   0.0000  246.279   89.537  ?   ?       ?      ? 
1 1 1   16   14   18 o  160.103   70.941   9.4979   87.940   9.4979   87.940   0.0000   0.0000  160.103   70.941  ?   ?       ?      ? 
1 1 1   16   14   19 o  173.154   79.461  -7.2373  122.132  -7.2373  122.132   0.0000   0.0000  173.154   79.461  ?   ?       ?      ? 
1 1 1   16   14   20 f  144.918   70.261 -117.3800  123.443 -117.3800  123.443   0.0000   0.0000  144.918   70.261  ?   ?       ?      ? 
1 1 1   16   14   21 o  203.264   94.195   59.126  177.715   59.126  177.715   0.0000   0.0000  203.264   94.195  ?   ?       ?      ? 
1 1 1   16   14   22 o  138.523   60.929   12.753   63.727   12.753   63.727   0.0000   0.0000  138.523   60.929  ?   ?       ?      ? 
1 1 1   16   14   24 o  170.092   84.188 -103.7368  207.724 -103.7368  207.724   0.0000   0.0000  170.092   84.188  ?   ?       ?      ? 
1 1 1   16   14   25 o  251.856   67.410  251.355   97.688  272.500  113.543  191.103  191.665  285.976   90.664  217.736   99.781 68.23988 134.8192 
1 1 1   16   14   26 o  215.751   62.520  168.632   93.550  211.210  108.001   40.701  187.210  247.896   88.436  183.605   88.398 64.29082 125.0406 
1 1 1   16   14   27 o  212.887   60.990  170.898   90.321  211.750  101.352   13.280  199.081  248.689   85.908  177.084   86.597 71.60466 121.9802 
1 1 1   16   15    0 o  334.129   63.444  239.858   79.699  239.858   79.699   0.0000   0.0000  334.129   63.444  ?   ?       ?      ? 
1 1 1   16   15    1 o  226.378   46.073  104.279   47.224  173.365   68.107   40.305   65.538  283.050   63.251  169.706   67.008 113.3440 92.14567 
1 1 1   16   15    2 o  139.922   38.949   7.6492   31.535   61.430   54.893 -18.8431   38.527  179.031   63.136  100.813   45.628 78.21723 77.89776 
1 1 1   16   15    3 o  713.638   53.812  1047.89  149.861  1047.89  149.861   0.0000   0.0000  713.638   53.812  ?   ?       ?      ? 
1 1 1   16   15    4 o  366.749   74.264  298.181  102.642  298.181  102.642   0.0000   0.0000  366.749   74.264  ?   ?       ?      ? 
1 1 1   16   15    5 o  673.414   73.699  981.846  193.676  981.846  193.676   0.0000   0.0000  673.414   73.699  ?   ?       ?      ? 
1 1 1   16   15    6 o  245.360   55.519  129.088   61.365  177.906   91.245   88.776   82.916  279.044   79.785  211.677   77.224 67.36687 111.0375 
1 1 1   16   15    7 o  221.175   50.093   97.748   54.738  169.058   76.843   24.290   77.992  274.256   71.179  168.095   70.505 106.1610 100.1868 
1 1 1   16   15    8 o  336.648   64.411  278.794   87.819  316.992  116.782  229.082  133.225  368.599   83.165  304.697   98.379 63.90143 128.8215 
1 1 1   16   15    9 o  392.865   68.624  395.237  105.219  443.867  136.652  324.422  164.901  435.991   83.355  349.738  109.036 86.25354 137.2474 
1 1 1   16   15   10 o  394.741   84.670  453.070  143.635  400.773  223.950  489.615  187.211  363.406  127.578  426.076  111.354 -62.66986 169.3394 
1 1 1   16   15   11 o  348.050   68.626  317.454   94.789  327.165  115.702  297.634  165.303  369.247   82.387  326.854  109.774 42.39273 137.2519 
1 1 1   16   15   12 o  331.632   76.935  311.745  124.764  174.082  177.475  446.252  175.429  264.409  108.186  398.854  109.414 -134.4449 153.8691 
1 1 1   16   15   13 o  199.146   56.761   76.701   62.873   94.597   69.124  -9.0410  151.303  204.929   70.938  193.364   88.628 11.56458 113.5213 
1 1 1   16   15   14 o  178.865   57.283   24.474   46.721   22.439   48.302   54.048  184.107  137.316   56.342  220.415   99.754 -83.09927 114.5651 
1 1 1   16   15   15 o  221.568   67.527   94.305   85.651   96.879   91.997   77.556  234.678  208.125   80.187  235.011  108.673 -26.88641 135.0549 
1 1 1   16   15   16 o  252.783   73.429  168.390  104.507  162.588  117.040  191.208  232.115  246.951   91.473  258.616  114.891 -11.66513 146.8580 
1 1 1   16   15   17 o  235.621   73.487  137.540   74.895  137.540   74.895   0.0000   0.0000  235.621   73.487  ?   ?       ?      ? 
1 1 1   16   15   18 o  176.334   77.905   28.375  105.297   28.375  105.297   0.0000   0.0000  176.334   77.905  ?   ?       ?      ? 
1 1 1   16   15   19 o  158.074   64.443   41.663   62.685   41.663   62.685   0.0000   0.0000  158.074   64.443  ?   ?       ?      ? 
1 1 1   16   15   20 o  142.786   60.347   25.070   57.846   25.070   57.846   0.0000   0.0000  142.786   60.347  ?   ?       ?      ? 
1 1 1   16   15   21 o  195.514   75.876   99.085   82.834   99.085   82.834   0.0000   0.0000  195.514   75.876  ?   ?       ?      ? 
1 1 1   16   15   22 o  145.226   61.877   30.418   61.654   30.418   61.654   0.0000   0.0000  145.226   61.877  ?   ?       ?      ? 
1 1 1   16   15   23 o  308.973   98.426  339.708  133.692  339.708  133.692   0.0000   0.0000  308.973   98.426  ?   ?       ?      ? 
1 1 1   16   15   24 o  205.764  100.452  130.303  264.590  130.303  264.590   0.0000   0.0000  205.764  100.452  ?   ?       ?      ? 
1 1 1   16   15   25 o  172.643   73.391   68.984   86.372   68.984   86.372   0.0000   0.0000  172.643   73.391  ?   ?       ?      ? 
1 1 1   16   15   26 o  160.606   69.899   50.711   81.939   50.711   81.939   0.0000   0.0000  160.606   69.899  ?   ?       ?      ? 
1 1 1   16   16    0 o  369.238   68.766  300.538   95.440  300.538   95.440   0.0000   0.0000  369.238   68.766  ?   ?       ?      ? 
1 1 1   16   16    1 o  449.196   59.747  425.009  104.734  425.009  104.734   0.0000   0.0000  449.196   59.747  ?   ?       ?      ? 
1 1 1   16   16    2 o  712.773   62.270  1078.03  173.206  1078.03  173.206   0.0000   0.0000  712.773   62.270  ?   ?       ?      ? 
1 1 1   16   16    3 o  170.467   41.098   23.642   35.340  122.908   64.297 -19.3262   42.303  235.336   66.867  105.598   47.801 129.7377 82.19597 
1 1 1   16   16    4 o  391.961   64.543  363.219   93.915  348.027  117.132  390.565  157.151  389.156   79.808  394.765  101.459 -5.609344 129.0858 
1 1 1   16   16    5 o  199.407   51.848   78.233   53.572   58.928   79.426   94.346   72.563  188.297   73.952  210.517   72.692 -22.21945 103.6966 
1 1 1   16   16    7 o  144.244   43.033   12.468   41.505  -1.2594   55.920   29.306   61.932  132.063   57.605  156.425   63.945 -24.36189 86.06559 
1 1 1   16   16    8 o  119.210   38.262 -53.9397   32.468 -79.8006   36.774   37.510   69.153   71.854   35.539  166.565   67.771 -94.71106 76.52399 
1 1 1   16   16    9 o  308.323   65.419  241.913   91.407  345.846  129.406  138.419  129.132  371.677   90.145  244.969   94.829 126.7087 130.8383 
1 1 1   16   16   10 f  157.032   48.376   14.198   52.000   24.615   60.954 -13.6544   99.665  150.910   62.735  163.155   73.657 -12.24509 96.75235 
1 1 1   16   16   11 o  264.847   73.165  185.771  112.641  123.399  168.954  235.677  151.129  240.729  102.497  288.964  104.435 -48.23494 146.3291 
1 1 1   16   16   12 o  272.618   63.793  208.476   87.574  263.372  105.114   83.907  158.342  323.006   82.957  222.230   96.934 100.7755 127.5855 
1 1 1   16   16   13 o  233.378   63.604  132.137   74.450  139.197   82.200   99.906  175.639  237.407   77.326  229.350  101.008 8.056290 127.2079 
1 1 1   16   16   14 o  263.664   75.152  199.705  114.423  196.522  135.753  207.517  212.641  263.726   98.350  263.603  113.660 0.1228943 150.3043 
1 1 1   16   16   15 o  151.721   51.364 -14.3901   41.910 -16.2385   43.413   10.926  160.665  106.443   48.281  196.999   90.675 -90.55677 102.7276 
1 1 1   16   16   16 o  246.538   60.532  169.558   74.113  195.883   85.164   87.408  150.445  278.233   76.197  214.843   94.077 63.38930 121.0642 
1 1 1   16   16   17 o  200.920   71.417   96.436   70.372   96.436   70.372   0.0000   0.0000  200.920   71.417  ?   ?       ?      ? 
1 1 1   16   16   18 o  264.159   83.770  193.583   96.928  193.583   96.928   0.0000   0.0000  264.159   83.770  ?   ?       ?      ? 
1 1 1   16   16   19 f  115.504   52.551 -14.0191   51.931 -14.0191   51.931   0.0000   0.0000  115.504   52.551  ?   ?       ?      ? 
1 1 1   16   16   20 o  165.062   65.758   58.268   63.639   58.268   63.639   0.0000   0.0000  165.062   65.758  ?   ?       ?      ? 
1 1 1   16   16   21 o  150.812   63.570   38.121   63.915   38.121   63.915   0.0000   0.0000  150.812   63.570  ?   ?       ?      ? 
1 1 1   16   16   22 o  171.827   71.732   66.528   80.173   66.528   80.173   0.0000   0.0000  171.827   71.732  ?   ?       ?      ? 
1 1 1   16   16   23 o  132.730   59.638   5.1636   64.439   5.1636   64.439   0.0000   0.0000  132.730   59.638  ?   ?       ?      ? 
1 1 1   16   16   24 o  190.039   91.572   66.107  201.889   66.107  201.889   0.0000   0.0000  190.039   91.572  ?   ?       ?      ? 
1 1 1   16   16   25 o  249.079   65.834  280.132  115.829  373.272  132.191 -27.7821  240.353  319.643   97.276  178.515   88.736 141.1274 131.6686 
1 1 1   16   17    0 o  277.657   85.303  186.053  101.349  186.053  101.349   0.0000   0.0000  277.657   85.303  ?   ?       ?      ? 
1 1 1   16   17    1 o  271.745   58.915  176.518   69.566  212.029   97.899  140.298   98.870  297.773   81.756  245.716   84.852 52.05695 117.8299 
1 1 1   16   17    2 o  183.460   50.298   59.003   50.684   63.822   79.921   55.761   65.551  190.018   74.311  176.902   67.805 13.11592 100.5964 
1 1 1   16   17    3 o  616.946   73.113  854.942  176.025  854.942  176.025   0.0000   0.0000  616.946   73.113  ?   ?       ?      ? 
1 1 1   16   17    4 o  308.347   97.011  245.897  130.203  245.897  130.203   0.0000   0.0000  308.347   97.011  ?   ?       ?      ? 
1 1 1   16   17    5 o  295.683   95.022  225.344  124.397  225.344  124.397   0.0000   0.0000  295.683   95.022  ?   ?       ?      ? 
1 1 1   16   17    6 o  193.312   74.899   71.367   80.612   71.367   80.612   0.0000   0.0000  193.312   74.899  ?   ?       ?      ? 
1 1 1   16   17    7 o  378.220   99.379  381.638  148.590  381.638  148.590   0.0000   0.0000  378.220   99.379  ?   ?       ?      ? 
1 1 1   16   17    8 o  177.277   51.958   45.162   58.206   55.562   73.289   27.399   95.787  178.258   70.709  176.295   76.149 1.963120 103.9155 
1 1 1   16   17    9 o  355.655   70.259  367.956  107.891  448.724  139.901  249.422  169.481  420.999   87.988  290.310  109.561 130.6885 140.5190 
1 1 1   16   17   10 f  338.391   73.399  323.214  101.757  306.795  122.204  360.340  183.759  341.132   90.360  335.651  115.691 5.480530 146.7975 
1 1 1   16   17   11 o  307.567   70.411  281.775   99.351  310.450  120.865  222.032  174.456  342.649   89.435  272.486  108.775 70.16293 140.8211 
1 1 1   16   17   12 o  353.202   86.710  429.046  149.581  312.837  201.134  572.854  223.747  301.815  117.927  404.588  127.152 -102.7734 173.4201 
1 1 1   16   17   13 o  294.034   74.920  277.408  114.972  312.402  139.046  201.764  204.431  327.917   99.760  260.151  111.803 67.76599 149.8397 
1 1 1   16   17   14 o  188.314   57.487   56.471   69.951   77.825   76.100 -59.8821  177.636  190.045   73.006  186.584   88.821 3.461411 114.9741 
1 1 1   16   17   15 o  223.218   57.726  112.274   79.793  216.303  102.837 -45.1118  126.490  282.023   85.792  164.413   77.260 117.6103 115.4525 
1 1 1   16   17   16 o  209.157   56.096   97.011   74.739  180.017   94.229 -43.7863  122.724  257.273   82.703  161.041   75.809 96.23193 112.1910 
1 1 1   16   17   18 o  236.228   79.635  157.546   86.996  157.546   86.996   0.0000   0.0000  236.228   79.635  ?   ?       ?      ? 
1 1 1   16   17   19 o  173.289   69.565   68.319   71.789   68.319   71.789   0.0000   0.0000  173.289   69.565  ?   ?       ?      ? 
1 1 1   16   17   20 o  168.503   67.471   64.932   67.342   64.932   67.342   0.0000   0.0000  168.503   67.471  ?   ?       ?      ? 
1 1 1   16   17   21 o  127.728   56.823   6.1321   56.971   6.1321   56.971   0.0000   0.0000  127.728   56.823  ?   ?       ?      ? 
1 1 1   16   17   22 o  151.814   66.244   33.252   74.012   33.252   74.012   0.0000   0.0000  151.814   66.244  ?   ?       ?      ? 
1 1 1   16   17   23 o  148.868   64.365   34.435   68.568   34.435   68.568   0.0000   0.0000  148.868   64.365  ?   ?       ?      ? 
1 1 1   16   17   24 o  164.103   80.393 -43.8771  173.877 -43.8771  173.877   0.0000   0.0000  164.103   80.393  ?   ?       ?      ? 
1 1 1   16   18    0 o  394.523  126.024  500.700  219.063  500.700  219.063   0.0000   0.0000  394.523  126.024  ?   ?       ?      ? 
1 1 1   16   18    1 o  356.696   77.755  362.988  117.442  405.314  184.277  334.039  152.401  367.587  115.372  345.806  104.271 21.78094 155.5097 
1 1 1   16   18    2 o  283.476   65.677  209.283   83.572  192.440  113.102  229.538  124.031  273.056   90.790  293.896   94.927 -20.83939 131.3543 
1 1 1   16   18    3 o  543.047  162.445  1184.33  370.976  1184.33  370.976   0.0000   0.0000  543.047  162.445  ?   ?       ?      ? 
1 1 1   16   18    4 o  211.058   58.171   92.102   68.231  115.466  106.300   75.732   88.980  224.847   86.306  197.269   78.018 27.57826 116.3428 
1 1 1   16   18    5 o  200.041   55.814   74.560   66.389   30.167   94.091  118.572   93.687  175.716   75.686  224.366   82.051 -48.64993 111.6282 
1 1 1   16   18    6 o  302.067   67.434  253.813   95.460  335.830  129.634  156.656  141.093  356.167   92.458  247.968   98.188 108.1993 134.8679 
1 1 1   16   18    7 o  268.619   67.343  173.915   86.879  109.892  107.535  294.250  147.427  219.629   86.113  317.610  103.562 -97.98128 134.6868 
1 1 1   16   18    8 o  283.822   65.766  227.902   91.830  297.800  119.072  125.308  144.256  335.442   89.358  232.201   96.518 103.2419 131.5314 
1 1 1   16   18    9 o  414.955   83.341  554.164  140.170  554.091  173.559  554.301  237.694  444.072  102.264  385.837  131.625 58.23489 166.6825 
1 1 1   16   18   10 f  187.285   57.851   40.675   67.827   32.580   76.422   70.708  147.207  163.868   69.316  210.701   92.641 -46.83331 115.7028 
1 1 1   16   18   11 o  260.291   66.635  196.788   92.551  234.664  109.188  100.119  174.436  294.809   88.116  225.773   99.983 69.03554 133.2702 
1 1 1   16   18   12 o  173.336   57.728 -36.0437   51.719 -54.0820   54.047  159.961  178.159  103.114   49.060  243.558  104.514 -140.4439 115.4557 
1 1 1   16   18   13 f  178.561   70.810   63.173   73.479   63.173   73.479   0.0000   0.0000  178.561   70.810  ?   ?       ?      ? 
1 1 1   16   18   14 o  285.813  110.927  288.629  177.052  288.629  177.052   0.0000   0.0000  285.813  110.927  ?   ?       ?      ? 
1 1 1   16   18   15 o  360.660  127.815  550.611  225.242  550.611  225.242   0.0000   0.0000  360.660  127.815  ?   ?       ?      ? 
1 1 1   16   18   16 o  145.660   61.676   27.707   60.601   27.707   60.601   0.0000   0.0000  145.660   61.676  ?   ?       ?      ? 
1 1 1   16   18   17 o  140.564   67.631 -73.0532  109.156 -73.0532  109.156   0.0000   0.0000  140.564   67.631  ?   ?       ?      ? 
1 1 1   16   18   18 o  233.147  101.927  218.165  175.963  218.165  175.963   0.0000   0.0000  233.147  101.927  ?   ?       ?      ? 
1 1 1   16   18   19 o  185.830   73.437   90.394   78.778   90.394   78.778   0.0000   0.0000  185.830   73.437  ?   ?       ?      ? 
1 1 1   16   18   20 o  117.757   54.357 -17.5690   58.330 -17.5690   58.330   0.0000   0.0000  117.757   54.357  ?   ?       ?      ? 
1 1 1   16   18   21 o  314.950   94.283  337.596  124.933  337.596  124.933   0.0000   0.0000  314.950   94.283  ?   ?       ?      ? 
1 1 1   16   18   22 o  248.393   91.798  224.870  117.742  224.870  117.742   0.0000   0.0000  248.393   91.798  ?   ?       ?      ? 
1 1 1   16   18   23 o  181.635   76.107   91.980   90.732   91.980   90.732   0.0000   0.0000  181.635   76.107  ?   ?       ?      ? 
1 1 1   16   19    0 o  230.019  103.028   89.898  190.718   89.898  190.718   0.0000   0.0000  230.019  103.028  ?   ?       ?      ? 
1 1 1   16   19    1 o  239.178   65.816  126.946  109.964 -182.7910  208.256  246.688  129.486  181.972   88.899  296.384   97.076 -114.4118 131.6312 
1 1 1   16   19    2 o  180.898   74.305   54.354   84.128   0.0000   0.0000   54.354   84.128  ?   ?   180.898   74.305      ?      ? 
1 1 1   16   19    3 o  330.320   76.916  331.702  114.160  365.870  173.232  305.474  151.780  340.880  112.314  319.760  105.119 21.11987 153.8329 
1 1 1   16   19    4 o  278.584   68.710  218.877   91.792  204.877  127.423  233.980  132.345  270.838   96.119  286.329   98.211 -15.49115 137.4197 
1 1 1   16   19    5 o  488.741  116.058  728.455  218.057  728.455  218.057   0.0000   0.0000  488.741  116.058  ?   ?       ?      ? 
1 1 1   16   19    6 o  425.397   87.100  608.960  152.979  612.905  195.253  602.688  246.183  452.383  111.352  398.410  133.964 53.97250 174.1994 
1 1 1   16   19    7 o  290.764   72.312  254.397  102.140  265.461  130.592  236.965  163.918  304.202   97.317  277.326  106.984 26.87570 144.6243 
1 1 1   16   19    8 o  285.029   69.990  247.486  102.303  301.482  128.329  153.339  169.454  327.697   94.894  242.361  102.906 85.33630 139.9802 
1 1 1   16   19    9 f  404.015  102.854  745.482  215.971  571.874  302.288  926.499  308.671  344.118  141.042  463.912  149.743 -119.7938 205.7085 
1 1 1   16   19   10 o  232.471   67.220  139.412   93.700  144.370  111.580  127.555  172.569  233.820   88.739  231.122  100.993 2.698181 134.4403 
1 1 1   16   19   11 o  257.191   71.436  192.388   98.133  179.507  114.274  228.568  191.517  252.171   90.861  262.212  110.258 -10.04111 142.8721 
1 1 1   16   19   12 o  297.800   87.239  375.870  167.691  288.668  231.469  472.193  243.274  270.781  117.665  324.819  128.832 -54.03894 174.4787 
1 1 1   16   19   13 f  253.039   69.898  201.557   95.012  204.608  104.984  187.744  223.348  266.162   87.422  239.917  109.088 26.24553 139.7953 
1 1 1   16   19   14 o  207.640   59.115  116.025   75.597  142.412   85.176   18.102  164.083  227.408   78.744  187.872   88.191 39.53656 118.2295 
1 1 1   16   19   15 o  152.309   49.177   8.1217   54.972   2.5333   62.235   27.961  117.261  132.184   59.055  172.434   78.651 -40.24979 98.35371 
1 1 1   16   19   16 o  183.792   56.002   74.238   64.631   75.502   71.847   68.875  147.976  177.456   70.130  190.128   87.330 -12.67134 112.0032 
1 1 1   16   19   17 o  184.354   72.140   87.650   75.355   87.650   75.355   0.0000   0.0000  184.354   72.140  ?   ?       ?      ? 
1 1 1   16   19   18 o  109.204   50.883 -25.6218   52.969 -25.6218   52.969   0.0000   0.0000  109.204   50.883  ?   ?       ?      ? 
1 1 1   16   19   19 o  302.462   96.176  321.358  127.696  321.358  127.696   0.0000   0.0000  302.462   96.176  ?   ?       ?      ? 
1 1 1   16   19   20 o  222.800   86.752  167.439  108.557  167.439  108.557   0.0000   0.0000  222.800   86.752  ?   ?       ?      ? 
1 1 1   16   19   21 o  162.689   72.547   45.216   93.448   45.216   93.448   0.0000   0.0000  162.689   72.547  ?   ?       ?      ? 
1 1 1   16   20    0 o  256.514   95.517  183.657  127.951  183.657  127.951   0.0000   0.0000  256.514   95.517  ?   ?       ?      ? 
1 1 1   16   20    1 o  309.986   77.452  274.580  112.339  445.065  196.580  191.904  136.894  360.464  119.686  259.507   98.338 100.9575 154.9037 
1 1 1   16   20    2 o  170.277   54.159   11.007   69.938   4.3901  130.296   13.684   82.891  182.092   82.998  158.461   69.599 23.63126 108.3174 
1 1 1   16   20    3 o  281.504   69.539  228.739   94.481  189.250  128.543  275.142  139.343  258.903   95.870  304.105  100.757 -45.20276 139.0790 
1 1 1   16   20    4 o  242.508   66.292  154.460   88.956  120.677  118.597  197.915  134.507  223.025   89.455  261.992   97.859 -38.96667 132.5842 
1 1 1   16   20    5 o  223.956   69.796   99.496  117.271  144.245  181.232   67.264  153.813  238.568  103.892  209.344   93.233 29.22427 139.5922 
1 1 1   16   20    6 o  189.468   63.545 -41.3670  125.585 -154.0463  220.905   12.441  152.653  186.519   91.212  192.417   88.498 -5.898361 127.0891 
1 1 1   16   20    7 o  238.653   75.749  142.865  141.014  158.398  250.865  135.690  170.501  244.861  112.922  232.445  100.997 12.41695 151.4986 
1 1 1   16   20    8 o  222.696   72.175   92.157  140.683   89.912  219.718   93.717  183.149  225.221  104.500  220.171   99.582 5.050888 144.3497 
1 1 1   16   20    9 o  341.542  139.365  610.257  293.505  610.257  293.505   0.0000   0.0000  341.542  139.365  ?   ?       ?      ? 
1 1 1   16   20   10 o  197.655   66.108   7.0212  135.425 -45.7289  210.570   44.230  176.851  193.362   93.261  201.948   93.720 -8.585678 132.2159 
1 1 1   16   20   11 o  253.921   68.985  221.384  106.267  266.918  123.258   89.530  209.745  293.238   94.622  214.605  100.410 78.63289 137.9697 
1 1 1   16   20   12 o  186.532   59.654   54.855   77.791   53.319   85.584   62.153  186.585  171.826   73.049  201.238   94.330 -29.41196 119.3079 
1 1 1   16   20   13 o  190.632   60.228   35.894   66.835   0.8237   72.783  224.519  168.796  139.178   62.878  242.086  102.743 -102.9082 120.4566 
1 1 1   16   20   14 o  189.304   58.159   81.634   72.627   75.375   83.374  101.327  147.887  179.351   73.856  199.257   89.861 -19.90616 116.3175 
1 1 1   16   20   15 o  178.928   55.641   65.247   65.692   64.186   73.130   69.681  149.503  169.442   69.402  188.415   86.990 -18.97264 111.2824 
1 1 1   16   20   16 o  197.303   58.605  112.538   76.330  132.023   83.896   18.889  183.925  212.071   77.632  182.535   87.816 29.53566 117.2110 
1 1 1   16   20   17 o  139.929   60.830   22.729   61.915   22.729   61.915   0.0000   0.0000  139.929   60.830  ?   ?       ?      ? 
1 1 1   16   20   18 o  145.097   64.544   20.203   73.488   20.203   73.488   0.0000   0.0000  145.097   64.544  ?   ?       ?      ? 
1 1 1   16   20   19 o  156.680   77.637 -121.7697  178.484 -121.7697  178.484   0.0000   0.0000  156.680   77.637  ?   ?       ?      ? 
1 1 1   16   20   20 o  190.744   91.924   95.827  203.608   95.827  203.608   0.0000   0.0000  190.744   91.924  ?   ?       ?      ? 
1 1 1   16   21    0 o  164.477   55.913 -62.8970   90.420 -85.0632  185.609 -55.9997  103.536  182.257   87.817  146.698   69.231 35.55864 111.8250 
1 1 1   16   21    1 o  177.062   57.911   1.8289   85.827 -12.9180  167.583   7.0722   99.927  189.665   89.063  164.459   74.045 25.20538 115.8225 
1 1 1   16   21    2 o  369.371   88.080  474.395  149.213  759.891  251.936  320.138  185.188  441.091  134.304  297.651  113.995 143.4400 176.1602 
1 1 1   16   21    3 o  194.953   57.367   64.220   77.704  136.341  105.552 -21.1084  114.810  226.645   86.238  163.261   75.676 63.38354 114.7344 
1 1 1   16   21    4 o  196.177   61.033   59.165   87.002   36.494  108.607   99.770  145.351  179.061   79.114  213.292   92.958 -34.23152 122.0668 
1 1 1   16   21    5 o  218.063   68.937   91.418  110.978   47.678  133.204  190.680  200.664  191.656   85.955  244.470  107.800 -52.81421 137.8736 
1 1 1   16   21    6 o  149.910   51.975 -135.2706   92.837 -163.9149  113.244 -76.5674  162.117  128.462   63.315  171.359   82.441 -42.89767 103.9491 
1 1 1   16   21    7 o  229.744   69.785  154.172  109.336  153.971  131.515  154.623  196.744  229.526   93.432  229.963  103.684 -0.4365692 139.5703 
1 1 1   16   21    8 o  169.412   56.594 -14.9420   91.434   7.2819  105.577 -81.6219  182.877  163.427   74.576  175.396   85.148 -11.96938 113.1888 
1 1 1   16   21    9 o  219.489   67.751  134.703  101.868  113.727  120.110  188.457  192.273  206.875   87.170  232.102  103.740 -25.22659 135.5013 
1 1 1   16   21   10 o  227.052   66.509  171.482  100.969  204.278  120.550   94.401  184.812  249.052   92.719  205.053   95.377 43.99942 133.0172 
1 1 1   16   21   11 o  189.304   58.669   54.284   71.733   12.215   82.542  184.092  144.993  149.418   67.283  229.190   96.131 -79.77263 117.3377 
1 1 1   16   21   12 o  223.504   60.623  163.266   85.913  225.035  103.495   26.362  154.079  267.295   86.752  179.713   84.703 87.58266 121.2454 
1 1 1   16   21   13 o  202.584   60.638  120.794   80.347  125.179   94.158  109.048  154.105  205.953   80.627  199.214   90.594 6.738663 121.2761 
1 1 1   16   21   14 o  238.132   65.987  215.813   96.749  248.787  114.712  134.559  180.073  270.522   91.443  205.743   95.158 64.77919 131.9733 
1 1 1   16   21   15 o  145.303   49.792 -28.3257   63.452 -26.3387   68.651 -39.9729  166.212  123.179   57.574  167.427   81.255 -44.24715 99.58440 
1 1 1   16   21   16 o  207.053   64.507  127.922   85.891  116.105   92.975  196.724  224.346  198.843   79.399  215.264  101.688 -16.42030 129.0137 
1 1 1   16   21   17 o  161.170   70.120   47.953   82.400   47.953   82.400   0.0000   0.0000  161.170   70.120  ?   ?       ?      ? 
1 1 1   16   21   18 o  228.814   90.385  194.708  119.292  194.708  119.292   0.0000   0.0000  228.814   90.385  ?   ?       ?      ? 
1 1 1   16   22    0 o  274.952   80.931  323.152  143.370  336.500  254.273  316.930  173.596  264.297  118.630  285.607  110.120 -21.31046 161.8627 
1 1 1   16   22    1 o  201.083   60.698   90.140   87.905  147.535  118.607   20.190  130.939  224.288   89.636  177.878   81.867 46.41049 121.3957 
1 1 1   16   22    2 o  242.542   67.459  192.358   96.628  228.318  126.678  142.322  149.427  264.519   95.612  220.565   95.191 43.95418 134.9181 
1 1 1   16   22    3 o  169.566   55.621   3.1239   85.290  -9.8217  108.201   24.367  138.603  158.310   73.411  180.821   83.580 -22.51097 111.2423 
1 1 1   16   22    4 o  201.866   64.252   89.697  108.121  126.815  130.803   9.6311  192.111  212.468   90.318  191.264   91.412 21.20384 128.5048 
1 1 1   16   22    5 o  176.488   59.385 -16.5985  113.113   25.627  148.379 -75.1831  174.773  182.417   85.053  170.560   82.901 11.85748 118.7709 
1 1 1   16   22    6 o  223.005   69.320  165.756  119.231  205.792  155.845  109.245  185.153  238.053   99.746  207.956   96.291 30.09741 138.6408 
1 1 1   16   22    7 o  172.396   55.615   20.563   88.756   87.467  106.515 -131.4250  160.542  190.266   81.206  154.526   76.011 35.74020 111.2299 
1 1 1   16   22    8 o  131.725   45.200 -58.0869   62.362 -32.9530   69.249 -165.9209  143.438  122.432   57.415  141.017   69.826 -18.58503 90.39988 
1 1 1   16   22    9 o  212.021   64.136  132.087   86.848  107.099  102.038  197.780  165.443  196.770   81.431  227.272   99.110 -30.50211 128.2722 
1 1 1   16   22   10 f  163.862   52.992   27.096   68.141   21.548   78.941   43.313  134.967  149.803   66.749  177.921   82.323 -28.11862 105.9834 
1 1 1   16   22   11 o  178.784   55.567   69.018   71.889   74.998   85.020   54.018  134.651  177.391   73.946  180.178   82.961 -2.787323 111.1331 
1 1 1   16   22   12 o  178.959   57.189   58.872   76.849   47.848   88.950   91.324  152.611  165.035   72.301  192.884   88.629 -27.84866 114.3790 
1 1 1   16   22   13 o  207.751   62.764  141.090   90.802  156.671  107.347  101.904  170.237  218.962   85.980  196.541   91.459 22.42075 125.5278 
1 1 1   16   22   14 f  181.643   57.739   73.521   84.906   92.941  100.955   26.585  156.944  186.715   79.358  176.570   83.890 10.14432 115.4786 
1 1 1   16   22   15 o  179.438   57.101   66.199   89.988  119.523  103.934 -93.4675  179.847  197.932   82.071  160.944   79.414 36.98825 114.2021 
1 1 1   16   22   16 o  161.410   56.005 -22.5108   88.829 -33.2868   96.628   36.269  225.679  137.954   65.626  184.865   90.772 -46.91057 112.0098 
1 1 1   16   23    0 o  280.462  102.995  304.389  147.838  304.389  147.838   0.0000   0.0000  280.462  102.995  ?   ?       ?      ? 
1 1 1   16   23    1 o  192.456   84.496   91.797  122.069   91.797  122.069   0.0000   0.0000  192.456   84.496  ?   ?       ?      ? 
1 1 1   16   23    2 o  155.692   73.065 -12.6398  112.498 -12.6398  112.498   0.0000   0.0000  155.692   73.065  ?   ?       ?      ? 
1 1 1   16   23    3 o  185.559   60.701   58.343  100.085   54.077  122.996   66.703  172.189  179.072   81.241  192.048   90.213 -12.97604 121.4018 
1 1 1   16   23    4 o  205.995   65.483  107.341  101.037   52.771  121.001  233.014  183.625  177.774   80.624  234.216  103.208 -56.44244 130.9662 
1 1 1   16   23    5 o  143.102   49.165 -67.6292   78.137 -68.6084   92.661 -65.2194  145.367  129.096   62.164  157.109   76.188 -28.01283 98.33060 
1 1 1   16   23    6 o  178.461   56.263   64.083   78.020   85.779   89.567  -4.1682  158.858  184.022   76.235  172.900   82.767 11.12177 112.5268 
1 1 1   16   23    7 o  210.693   62.160  144.449   86.347  161.866   99.844   92.777  171.974  225.639   84.306  195.748   91.368 29.89053 124.3206 
1 1 1   16   23    8 o  173.344   55.969   39.819   72.587   20.625   83.030  102.049  149.507  150.997   67.782  195.691   89.084 -44.69374 111.9389 
1 1 1   16   23    9 o  206.816   64.186  139.282  101.156  162.542  126.633   98.271  168.148  217.653   90.447  195.979   91.096 21.67445 128.3716 
1 1 1   16   23   10 o  148.763   49.892 -24.3722   76.461   1.0744   93.053 -77.2672  134.159  148.546   68.599  148.980   72.463 -0.4334564 99.78323 
1 1 1   16   23   11 o  176.899   57.786   23.487   87.158 -43.9299  106.604  159.407  151.367  142.405   68.070  211.394   93.399 -68.98866 115.5724 
1 1 1   16   23   12 o  192.442   62.426   99.474  108.796  135.166  133.529   28.989  187.648  203.055   88.780  181.830   87.785 21.22444 124.8523 
1 1 1   16   23   13 f  271.754   80.293  414.103  160.570  655.273  226.013  168.322  228.163  337.878  126.724  205.630   98.635 132.2475 160.5861 
1 1 1   16   23   14 o  152.194   52.168 -38.8807   85.712 -63.3918  102.139   19.472  157.595  133.230   64.428  171.157   82.066 -37.92715 104.3351 
1 1 1   16   24    0 o  161.470   54.113 -13.8569   89.952 -50.4200  119.324   34.274  136.904  147.989   71.077  174.952   81.614 -26.96361 108.2257 
1 1 1   16   24    1 o  155.404   73.362 -14.0649  116.421 -14.0649  116.421   0.0000   0.0000  155.404   73.362  ?   ?       ?      ? 
1 1 1   16   24    2 o  157.598   53.665 -39.3289   93.625 -52.9248  117.549 -15.7394  154.837  146.534   70.423  168.661   80.995 -22.12671 107.3295 
1 1 1   16   24    3 o  164.348   55.600 -13.8844   97.945  -1.0956  119.914 -39.5172  169.767  160.125   75.238  168.570   81.881 -8.445648 111.1994 
1 1 1   16   24    4 o  169.516   56.803   5.7163   93.508 -22.1429  113.986   63.044  163.512  152.055   72.025  186.977   87.856 -34.92134 113.6057 
1 1 1   16   24    5 f  192.951   62.180   85.444   91.833   59.289  106.030  163.968  183.717  174.319   77.537  211.584   97.230 -37.26491 124.3604 
1 1 1   16   24    6 o  184.234   60.141   66.757   87.586   61.513   97.353   89.025  200.622  172.763   75.664  195.705   93.501 -22.94197 120.2811 
1 1 1   16   24    7 o  229.490   89.447  183.785  115.498  183.785  115.498   0.0000   0.0000  229.490   89.447  ?   ?       ?      ? 
1 1 1   16   24    8 o  183.021   79.149   85.182  103.732   85.182  103.732   0.0000   0.0000  183.021   79.149  ?   ?       ?      ? 
1 1 1   16   24    9 o  116.558   57.376 -116.6604   92.022 -116.6604   92.022   0.0000   0.0000  116.558   57.376  ?   ?       ?      ? 
1 1 1   16   24   10 o  182.752   81.669   84.667  119.106   84.667  119.106   0.0000   0.0000  182.752   81.669  ?   ?       ?      ? 
1 1 1   16   24   11 o  241.653  100.135  265.173  154.582  265.173  154.582   0.0000   0.0000  241.653  100.135  ?   ?       ?      ? 
1 1 1   16   25    0 o  183.412   59.271   74.285   91.446   59.618  113.641  101.230  154.029  174.425   78.707  192.400   88.641 -17.97502 118.5412 
1 1 1   16   25    1 o  168.269   76.605   43.791  110.577   43.791  110.577   0.0000   0.0000  168.269   76.605  ?   ?       ?      ? 
1 1 1   16   25    2 f  192.048   60.568  103.444   97.777  150.744  116.084 -12.0580  181.399  210.848   87.024  173.248   84.265 37.60004 121.1353 
1 1 1   16   25    3 o  154.867   52.683 -27.4554   82.053 -49.5224   96.454   30.340  156.097  134.358   64.364  175.377   83.423 -41.01917 105.3660 
1 1 1   16   25    4 o  189.451   59.219  101.002   89.824  136.319  105.640   8.8329  170.659  205.123   83.645  173.778   83.852 31.34499 118.4384 
1 1 1   16   25    5 o  181.679   58.068   80.242   86.929   98.494  101.848   31.269  166.829  186.752   79.549  176.606   84.614 10.14627 116.1362 
1 1 1   16   25    6 o  143.041   48.794 -45.7714   79.461  -5.6876   92.196 -161.5523  156.691  143.510   66.956  142.571   70.995 0.9391632 97.58792 
1 1 1   16   25    7 o  207.859   88.156  156.320  124.135  156.320  124.135   0.0000   0.0000  207.859   88.156  ?   ?       ?      ? 
1 1 1   16   25    8 o  162.452   55.493  -8.7585  100.729 -34.8944  124.902   39.863  170.358  149.238   71.940  175.666   84.513 -26.42854 110.9858 
1 1 1   17    0    0 o  198.498   17.253   80.511   18.135   80.511   18.135   80.511   18.135  198.498   24.400  198.498   24.400 -0.000000 0.000000 
1 1 1   17    0    1 o  328.542   16.494  214.339   29.559  214.339   29.559  214.339   29.559  328.542   23.325  328.542   23.325 -0.000000 0.000000 
1 1 1   17    0    2 o  896.294   23.891  1583.03  117.794  1583.03  117.794  1583.03  117.794  896.294   33.787  896.294   33.787 0.000000 0.000000 
1 1 1   17    0    3 o  434.625   25.314  378.316   59.772  378.316   59.772  378.316   59.772  434.625   35.800  434.625   35.800 -0.000000 0.000000 
1 1 1   17    0    5 f   48.344   19.029   6.2131   7.5284   6.2131   7.5284   6.2131   7.5284   48.344   26.911   48.344   26.911 0.000000 0.000000 
1 1 1   17    0    6 o  777.987   22.019  1192.47   94.198  1192.47   94.198  1192.47   94.198  777.987   31.140  777.987   31.140 0.000000 0.000000 
1 1 1   17    0    7 o  387.118   17.081  296.683   36.166  296.683   36.166  296.683   36.166  387.118   24.156  387.118   24.156 0.000000 0.000000 
1 1 1   17    0    8 o  491.421   18.068  476.642   48.699  476.642   48.699  476.642   48.699  491.421   25.552  491.421   25.552 -0.000000 0.000000 
1 1 1   17    0   10 o  618.160   25.230  758.359   85.418  758.359   85.418  758.359   85.418  618.160   35.681  618.160   35.681 -0.000000 0.000000 
1 1 1   17    0   11 o  129.404   25.113   39.409   15.507   39.409   15.507   39.409   15.507  129.404   35.515  129.404   35.515 0.000000 0.000000 
1 1 1   17    0   12 o  826.622   30.103  1358.36  136.496  1358.36  136.496  1358.36  136.496  826.622   42.572  826.622   42.572 0.000000 0.000000 
1 1 1   17    0   14 o   77.011   32.468   12.649   24.305   12.649   24.305   12.649   24.305   77.011   45.916   77.011   45.916 0.000000 0.000000 
1 1 1   17    0   29 o   97.394   42.642   21.771   45.493   21.771   45.493   21.771   45.493   97.394   60.305   97.394   60.305 0.000000 0.000000 
1 1 1   17    0   30 o  152.671   52.444   78.987   51.789   78.987   51.789   78.987   51.789  152.671   74.167  152.671   74.167 0.000000 0.000000 
1 1 1   17    0   31 o  121.986   49.059   50.111   51.439   50.111   51.439   50.111   51.439  121.986   69.380  121.986   69.380 0.000000 0.000000 
1 1 1   17    1    0 o  197.154   16.280   76.229   12.503   70.243   17.488   82.488   17.882  189.208   23.685  205.099   22.342 -15.89169 32.55988 
1 1 1   17    1    1 o  341.741   16.395  228.269   21.813  207.890   29.937  251.333   31.848  325.510   23.568  357.972   22.798 -32.46188 32.79010 
1 1 1   17    1    2 o  761.739   21.541  1142.51   64.027  1131.43   89.807  1153.97   91.306  758.008   30.360  765.471   30.566 -7.463501 43.08170 
1 1 1   17    1    3 o  597.568   19.276  700.778   44.914  733.007   65.113  671.523   62.036  610.644   27.324  584.493   27.198 26.15063 38.55294 
1 1 1   17    1    4 o  929.200   34.503  1722.09  124.975  1665.79  171.876  1785.26  182.043  913.365   48.221  945.034   49.362 -31.66901 69.00668 
1 1 1   17    1    5 o  335.758   16.076  221.025   21.058  217.575   29.353  224.684   30.228  333.071   22.583  338.445   22.887 -5.373932 32.15265 
1 1 1   17    1    6 o  523.340   18.265  536.944   37.264  511.751   51.328  565.021   54.187  510.395   25.770  536.284   25.892 -25.88937 36.53062 
1 1 1   17    1    7 o  424.828   20.212  350.606   32.147  339.549   39.872  371.144   54.343  415.849   24.570  433.807   32.101 -17.95786 40.42409 
1 1 1   17    1    8 o  467.619   35.402  432.408   64.602  432.408   64.602   0.0000   0.0000  467.619   35.402  ?   ?       ?      ? 
1 1 1   17    1    9 o  432.758   21.591  375.612   34.239  388.985   42.199  349.846   58.575  445.040   24.298  420.477   35.698 24.56369 43.18251 
1 1 1   17    1   10 o  653.437   23.452  812.829   56.168  758.830   67.602  933.202  100.933  620.862   27.902  686.013   37.702 -65.15088 46.90402 
1 1 1   17    1   11 o  573.555   25.381  649.489   56.707  703.078   82.807  602.163   77.817  595.827   35.614  551.283   36.172 44.54462 50.76155 
1 1 1   17    1   12 o  419.713   21.040  313.168   32.646  241.753   39.294  472.315   58.658  350.234   28.750  489.193   30.727 -138.9591 42.07937 
1 1 1   17    1   13 o  343.552   22.446  234.626   29.886  260.727   41.742  207.176   42.808  363.577   29.420  323.527   33.907 40.05069 44.89131 
1 1 1   17    1   14 o  276.317   78.410  165.649   88.472   0.0000   0.0000  165.649   88.472  ?   ?   276.317   78.410      ?      ? 
1 1 1   17    1   15 o  166.568   34.088   64.217   20.814   72.613   22.038  -5.1177   63.332  191.777   29.448  141.359   61.487 50.41771 68.17535 
1 1 1   17    1   26 o  236.096   31.548  114.023   29.066  114.023   29.066   0.0000   0.0000  236.096   31.548  ?   ?       ?      ? 
1 1 1   17    1   27 o  274.492   32.283  155.697   34.580  155.697   34.580   0.0000   0.0000  274.492   32.283  ?   ?       ?      ? 
1 1 1   17    1   28 o  245.033   29.955  123.919   28.644  123.919   28.644   0.0000   0.0000  245.033   29.955  ?   ?       ?      ? 
1 1 1   17    1   29 o  128.292   31.969   35.627   15.947   35.627   15.947   0.0000   0.0000  128.292   31.969  ?   ?       ?      ? 
1 1 1   17    1   30 o  247.394   46.578  154.797   31.482  153.677   32.795  167.954  112.396  271.617   30.940  223.171   87.868 48.44623 93.15645 
1 1 1   17    1   31 o  187.384   66.710   94.519   61.423   0.0000   0.0000   94.519   61.423  ?   ?   187.384   66.710      ?      ? 
1 1 1   17    2    0 o  425.921   17.319  356.036   28.784  351.441   40.424  360.762   40.995  423.135   24.481  428.707   24.504 -5.572174 34.63764 
1 1 1   17    2    1 o  693.869   20.689  947.459   56.020  949.263   78.955  945.630   79.495  694.560   29.130  693.178   29.388 1.382019 41.37860 
1 1 1   17    2    2 o  1044.66   26.271  2158.41  107.090  2184.65  152.664  2132.99  150.260  1050.88   37.227  1038.43   37.079 12.44312 52.54227 
1 1 1   17    2    3 o  933.134   24.268  1718.28   88.347  1750.21  126.838  1688.18  123.127  941.487   34.523  924.781   34.118 16.70642 48.53700 
1 1 1   17    2    4 o  827.630   27.699  1365.45   85.049  1384.82  105.559  1329.62  143.584  838.069   32.276  817.192   45.025 20.87683 55.39831 
1 1 1   17    2    5 o  481.936   34.052  458.533   64.042   0.0000   0.0000  458.533   64.042  ?   ?   481.936   34.052      ?      ? 
1 1 1   17    2    6 o  693.757   25.970  686.104   52.672  577.627   56.415  1423.09  147.047  542.109   26.667  845.405   44.572 -303.2952 51.94010 
1 1 1   17    2    7 o  614.390   22.910  721.526   51.558  680.807   62.127  811.611   92.408  588.428   27.056  640.352   36.979 -51.92328 45.81990 
1 1 1   17    2    8 o  553.485   35.948  606.114   77.645   0.0000   0.0000  606.114   77.645  ?   ?   553.485   35.948      ?      ? 
1 1 1   17    2    9 o  164.936   23.555   58.121   13.421   62.667   15.911   46.914   24.983  178.693   22.817  151.178   41.215 27.51447 47.10968 
1 1 1   17    2   10 o  712.538   25.774  1034.48   69.569  1218.54   94.105  812.666  103.308  786.004   30.680  639.071   41.424 146.9327 51.54810 
1 1 1   17    2   11 o  532.040   25.858  556.713   53.687  556.713   53.687   0.0000   0.0000  532.040   25.858  ?   ?       ?      ? 
1 1 1   17    2   12 o  201.784   28.285   96.661   17.276  106.260   19.363   59.186   38.258  232.717   21.321  170.851   52.397 61.86592 56.56920 
1 1 1   17    2   13 o  183.230   24.709   76.416   15.283   87.967   18.230   49.099   28.036  211.680   22.069  154.781   44.216 56.89865 49.41731 
1 1 1   17    2   14 o  147.311   55.289   34.047   43.037   0.0000   0.0000   34.047   43.037  ?   ?   147.311   55.289      ?      ? 
1 1 1   17    2   15 f  183.831   36.609   79.170   23.081   87.306   24.374   8.5168   71.824  210.251   29.707  157.411   66.921 52.83971 73.21814 
1 1 1   17    2   16 o  421.332   34.215  352.468   56.256  352.468   56.256   0.0000   0.0000  421.332   34.215  ?   ?       ?      ? 
1 1 1   17    2   17 o  289.760   31.827  166.622   35.989  166.622   35.989   0.0000   0.0000  289.760   31.827  ?   ?       ?      ? 
1 1 1   17    2   18 o  468.242   35.344  438.205   64.584  438.205   64.584   0.0000   0.0000  468.242   35.344  ?   ?       ?      ? 
1 1 1   17    2   19 o  183.893   25.658   66.967   18.413   66.967   18.413   0.0000   0.0000  183.893   25.658  ?   ?       ?      ? 
1 1 1   17    2   20 o  325.659   35.911  213.982   45.637  213.982   45.637   0.0000   0.0000  325.659   35.911  ?   ?       ?      ? 
1 1 1   17    2   21 o  694.325   42.767  993.670  115.878  993.670  115.878   0.0000   0.0000  694.325   42.767  ?   ?       ?      ? 
1 1 1   17    2   23 o  662.918   39.013  908.190  100.926  908.190  100.926   0.0000   0.0000  662.918   39.013  ?   ?       ?      ? 
1 1 1   17    2   24 o  177.289   33.231   65.922   22.146   65.922   22.146   0.0000   0.0000  177.289   33.231  ?   ?       ?      ? 
1 1 1   17    2   25 o  196.690   31.315   78.744   24.036   78.744   24.036   0.0000   0.0000  196.690   31.315  ?   ?       ?      ? 
1 1 1   17    2   26 o  143.976   33.268   44.194   18.316   44.194   18.316   0.0000   0.0000  143.976   33.268  ?   ?       ?      ? 
1 1 1   17    2   27 o  428.507   33.628  381.548   56.233  381.548   56.233   0.0000   0.0000  428.507   33.628  ?   ?       ?      ? 
1 1 1   17    2   28 o   89.089   30.543   15.444   12.799   15.444   12.799   0.0000   0.0000   89.089   30.543  ?   ?       ?      ? 
1 1 1   17    2   29 o  387.131   32.820  314.141   49.582  314.141   49.582   0.0000   0.0000  387.131   32.820  ?   ?       ?      ? 
1 1 1   17    2   30 o  146.028   63.654   27.848   68.182   27.848   68.182   0.0000   0.0000  146.028   63.654  ?   ?       ?      ? 
1 1 1   17    2   31 o  157.638   47.392   46.323   51.495   73.387   74.683   21.795   71.099  171.946   70.247  143.331   63.635 28.61508 94.78450 
1 1 1   17    3    0 o  532.806   18.498  557.633   38.459  551.751   53.979  563.699   54.810  529.961   26.100  535.651   26.221 -5.690430 36.99688 
1 1 1   17    3    1 o  252.810   15.881  125.180   15.658  120.173   21.708  130.610   22.607  247.546   22.472  258.073   22.448 -10.52696 31.76298 
1 1 1   17    3    2 o  643.959   20.049  815.497   50.360  810.369   70.048  820.983   72.452  641.935   27.962  645.983   28.741 -4.048157 40.09898 
1 1 1   17    3    3 o  679.528   24.048  909.627   60.875  905.252   75.523  917.741  102.855  678.360   28.529  680.695   38.721 -2.335510 48.09568 
1 1 1   17    3    4 o  805.051   76.804  1608.66  116.396  1648.98  121.810  1185.10  394.808  913.904   34.155  696.198  149.763 217.7068 153.6081 
1 1 1   17    3    5 o  378.963   23.469  281.802   34.707  281.802   34.707   0.0000   0.0000  378.963   23.469  ?   ?       ?      ? 
1 1 1   17    3    6 o  1247.98   55.202  3135.54  268.839   0.0000   0.0000  3135.54  268.839  ?   ?   1247.98   55.202      ?      ? 
1 1 1   17    3    7 o  277.615   20.193  148.156   20.391  142.275   24.493  161.435   36.805  269.250   23.311  285.981   32.979 -16.73132 40.38582 
1 1 1   17    3    8 o  550.538   22.854  616.344   47.204  681.453   61.114  520.056   74.320  588.686   26.603  512.389   37.168 76.29669 45.70749 
1 1 1   17    3    9 o  666.391   39.226  881.587  102.008   0.0000   0.0000  881.587  102.008  ?   ?   666.391   39.226      ?      ? 
1 1 1   17    3   10 o  560.695   23.307  645.424   48.956  755.730   64.857  499.337   74.638  619.751   26.817  501.639   38.127 118.1111 46.61368 
1 1 1   17    3   11 o  514.784   22.124  533.079   42.084  556.468   52.437  490.745   70.546  531.997   25.258  497.572   36.332 34.42462 44.24858 
1 1 1   17    3   12 o  183.842   21.746   66.333   15.601   66.333   15.601   0.0000   0.0000  183.842   21.746  ?   ?       ?      ? 
1 1 1   17    3   13 o  152.126   29.988   47.211   12.282   48.462   12.765   31.627   45.045  157.166   20.813  147.085   56.248 10.08070 59.97519 
1 1 1   17    3   14 o  191.973   35.392   89.991   23.322  100.375   25.061   22.885   63.711  225.603   28.466  158.344   64.808 67.25923 70.78395 
1 1 1   17    3   15 o  361.878   51.454  352.366   50.737  383.977   55.006  172.093  131.358  440.442   32.003  283.313   97.806 157.1293 102.9082 
1 1 1   17    3   17 o  227.304   78.084  107.020   83.675  107.020   83.675   0.0000   0.0000  227.304   78.084  ?   ?       ?      ? 
1 1 1   17    3   18 o  370.824   97.530  330.823  143.022  330.823  143.022   0.0000   0.0000  370.824   97.530  ?   ?       ?      ? 
1 1 1   17    3   19 o  292.460   87.812  203.293  108.254  203.293  108.254   0.0000   0.0000  292.460   87.812  ?   ?       ?      ? 
1 1 1   17    3   20 o  125.300   52.335   11.419   42.706   11.419   42.706   0.0000   0.0000  125.300   52.335  ?   ?       ?      ? 
1 1 1   17    3   21 o  351.191   41.066  253.509   56.280  253.509   56.280   0.0000   0.0000  351.191   41.066  ?   ?       ?      ? 
1 1 1   17    3   22 o  253.239   48.869  139.387   46.544  139.387   46.544   0.0000   0.0000  253.239   48.869  ?   ?       ?      ? 
1 1 1   17    3   23 o  230.981   41.541  113.860   36.067  113.860   36.067   0.0000   0.0000  230.981   41.541  ?   ?       ?      ? 
1 1 1   17    3   24 o  138.534   44.105   40.442   26.848   40.442   26.848   0.0000   0.0000  138.534   44.105  ?   ?       ?      ? 
1 1 1   17    3   25 o  288.907   35.229  171.888   39.718  171.888   39.718   0.0000   0.0000  288.907   35.229  ?   ?       ?      ? 
1 1 1   17    3   26 o  132.548   39.575   37.745   22.033   37.745   22.033   0.0000   0.0000  132.548   39.575  ?   ?       ?      ? 
1 1 1   17    3   27 f  254.452   86.921  196.167  103.658  196.167  103.658   0.0000   0.0000  254.452   86.921  ?   ?       ?      ? 
1 1 1   17    3   28 o   94.147   43.583 -20.5271   37.899 -20.5271   37.899   0.0000   0.0000   94.147   43.583  ?   ?       ?      ? 
1 1 1   17    3   29 o  193.982   75.389  104.179   81.863  104.179   81.863   0.0000   0.0000  193.982   75.389  ?   ?       ?      ? 
1 1 1   17    3   30 f  286.283   34.935  173.821   39.029  173.821   39.029   0.0000   0.0000  286.283   34.935  ?   ?       ?      ? 
1 1 1   17    4    0 o  530.278   22.940  538.497   43.727  514.885   51.972  595.722   80.908  511.948   26.014  548.609   37.792 -36.66071 45.87960 
1 1 1   17    4    1 o  433.122   20.792  361.695   33.437  345.778   40.955  393.512   57.904  419.643   25.009  446.600   33.224 -26.95795 41.58497 
1 1 1   17    4    2 o  430.790   20.217  354.595   31.996  335.447   38.680  396.094   56.943  413.427   23.975  448.154   32.560 -34.72629 40.43396 
1 1 1   17    4    3 o  319.882   20.488  207.674   23.989  221.683   29.815  181.960   40.395  336.182   22.726  303.583   34.097 32.59927 40.97673 
1 1 1   17    4    4 o  424.172   24.377  353.210   40.351  353.210   40.351   0.0000   0.0000  424.172   24.377  ?   ?       ?      ? 
1 1 1   17    4    5 o  694.410   24.587  972.958   65.146  1143.15   89.279  779.150   95.274  761.844   30.030  626.976   38.939 134.8685 49.17394 
1 1 1   17    4    6 o  352.750   44.634  344.465   34.912  368.788   37.092  155.596  103.359  433.640   21.919  271.859   86.536 161.7814 89.26897 
1 1 1   17    4    7 o  430.701   35.274  366.872   59.288   0.0000   0.0000  366.872   59.288  ?   ?   430.701   35.274      ?      ? 
1 1 1   17    4    8 f  207.387   24.344   93.754   15.288   99.252   17.343   74.587   32.381  225.046   19.748  189.728   44.504 35.31758 48.68843 
1 1 1   17    4    9 o  770.220   30.315  1128.13   88.874  940.851  111.709  1451.11  146.697  687.561   41.634  852.878   44.076 -165.3176 60.63034 
1 1 1   17    4   10 f  851.588   27.540  1429.36   86.620  1406.32  106.186  1475.17  149.752  843.780   32.248  859.396   44.653 -15.61566 55.07995 
1 1 1   17    4   11 o  360.900   22.926  255.771   32.289  255.771   32.289   0.0000   0.0000  360.900   22.926  ?   ?       ?      ? 
1 1 1   17    4   12 o  401.217   49.439  405.445   40.313  420.167   42.301  259.734  133.079  462.456   23.439  339.979   96.059 122.4778 98.87781 
1 1 1   17    4   13 o  606.986   65.854  902.832   92.942  937.737   99.723  672.065  256.410  687.148   37.189  526.823  126.349 160.3248 131.7081 
1 1 1   17    4   14 o  430.261   29.696  365.522   49.860  365.522   49.860   0.0000   0.0000  430.261   29.696  ?   ?       ?      ? 
1 1 1   17    4   15 o  524.219   34.252  545.325   70.070  545.325   70.070   0.0000   0.0000  524.219   34.252  ?   ?       ?      ? 
1 1 1   17    4   16 f  388.087   96.270  348.717  145.094  348.717  145.094   0.0000   0.0000  388.087   96.270  ?   ?       ?      ? 
1 1 1   17    4   17 o  354.222   93.219  293.499  130.609  293.499  130.609   0.0000   0.0000  354.222   93.219  ?   ?       ?      ? 
1 1 1   17    4   18 o  159.785   61.862   39.284   54.959   39.284   54.959   0.0000   0.0000  159.785   61.862  ?   ?       ?      ? 
1 1 1   17    4   19 o  447.291  109.427  518.283  189.437  518.283  189.437   0.0000   0.0000  447.291  109.427  ?   ?       ?      ? 
1 1 1   17    4   20 o  418.110  107.387  467.098  176.136  467.098  176.136   0.0000   0.0000  418.110  107.387  ?   ?       ?      ? 
1 1 1   17    4   21 o  268.172   84.829  179.421   99.441  179.421   99.441   0.0000   0.0000  268.172   84.829  ?   ?       ?      ? 
1 1 1   17    4   23 o  392.347  110.396  467.152  176.145  467.152  176.145   0.0000   0.0000  392.347  110.396  ?   ?       ?      ? 
1 1 1   17    4   24 o  155.686   60.522   43.767   52.770   43.767   52.770   0.0000   0.0000  155.686   60.522  ?   ?       ?      ? 
1 1 1   17    4   25 o  489.631  185.129  1704.71  484.476  1704.71  484.476   0.0000   0.0000  489.631  185.129  ?   ?       ?      ? 
1 1 1   17    4   26 o  276.772   43.794  164.316   47.301  164.316   47.301   0.0000   0.0000  276.772   43.794  ?   ?       ?      ? 
1 1 1   17    4   27 o  335.147   40.094  240.418   52.438  240.418   52.438   0.0000   0.0000  335.147   40.094  ?   ?       ?      ? 
1 1 1   17    4   28 o  415.360   38.139  369.299   61.820  369.299   61.820   0.0000   0.0000  415.360   38.139  ?   ?       ?      ? 
1 1 1   17    4   29 o  180.853   47.676   76.492   34.126   76.492   34.126   0.0000   0.0000  180.853   47.676  ?   ?       ?      ? 
1 1 1   17    4   30 o  323.893   38.272  226.251   48.374  226.251   48.374   0.0000   0.0000  323.893   38.272  ?   ?       ?      ? 
1 1 1   17    4   31 o  237.427   43.826  128.636   39.110  128.636   39.110   0.0000   0.0000  237.427   43.826  ?   ?       ?      ? 
1 1 1   17    5    0 o  460.745   20.103  358.342   32.654  289.730   37.594  569.180   65.901  384.104   25.080  537.385   31.425 -153.2805 40.20627 
1 1 1   17    5    1 o  899.000   28.169  1609.33   95.100  1628.00  119.709  1577.39  156.579  908.124   33.779  889.877   45.089 18.24670 56.33890 
1 1 1   17    5    2 o  479.143   21.659  454.656   38.454  460.027   47.619  444.589   65.197  483.973   25.213  474.314   35.223 9.658600 43.31733 
1 1 1   17    5    3 o  483.630   21.305  442.521   37.708  411.397   45.283  512.916   68.102  457.649   25.355  509.612   34.244 -51.96338 42.60966 
1 1 1   17    5    4 o  637.635   23.675  809.457   56.658  828.668   71.489  777.006   92.912  648.971   28.228  626.299   38.015 22.67175 47.34962 
1 1 1   17    5    5 o  594.685   60.286  811.862   67.986  823.604   70.865  676.100  240.969  646.968   28.069  542.403  117.260 104.5650 120.5726 
1 1 1   17    5    6 f  709.781   24.886  1010.17   66.754  1057.85   85.648  936.381  106.545  732.725   29.953  686.836   39.751 45.88843 49.77296 
1 1 1   17    5    7 o  523.278   21.805  462.665   39.285  388.659   44.643  716.692   82.710  444.661   25.727  601.895   35.213 -157.2333 43.61012 
1 1 1   17    5    8 o  767.099   30.316  1152.53   89.978  1006.78  118.541  1350.65  138.206  710.904   42.729  823.294   43.017 -112.3895 60.63214 
1 1 1   17    5    9 o  683.805   67.113  1028.87  111.333  1034.50  119.285  990.828  310.115  720.540   42.423  647.071  127.346 73.46826 134.2262 
1 1 1   17    5   10 o  680.961   93.634  1113.71  239.800  1145.78  344.086  1083.43  334.380  690.663  132.484  671.258  132.354 19.40472 187.2681 
1 1 1   17    5   11 o  704.453   68.840  1059.11  107.251  1052.39  113.101  1119.14  337.874  727.275   39.851  681.632  131.788 45.64313 137.6810 
1 1 1   17    5   12 o  476.790   33.767  449.997   62.828  449.997   62.828   0.0000   0.0000  476.790   33.767  ?   ?       ?      ? 
1 1 1   17    5   13 o  448.935   32.414  398.703   56.786  398.703   56.786   0.0000   0.0000  448.935   32.414  ?   ?       ?      ? 
1 1 1   17    5   14 o  395.420   52.404  424.723   51.007  457.208   54.812  214.838  139.325  481.213   29.188  309.627  100.662 171.5864 104.8083 
1 1 1   17    5   15 o  160.496   40.725   34.536   14.434   33.958   14.654   53.370   83.689  128.542   29.794  192.450   75.806 -63.90706 81.45045 
1 1 1   17    5   16 o  241.651   54.190  102.322   22.834  102.406   23.045   97.791  169.317  227.805   25.923  255.496  105.235 -27.69089 108.3809 
1 1 1   17    5   17 o  245.736   78.129  132.897   84.271  132.897   84.271   0.0000   0.0000  245.736   78.129  ?   ?       ?      ? 
1 1 1   17    5   18 o  378.052   97.416  349.168  144.615  349.168  144.615   0.0000   0.0000  378.052   97.416  ?   ?       ?      ? 
1 1 1   17    5   21 o  409.292  110.296  480.604  180.146  480.604  180.146   0.0000   0.0000  409.292  110.296  ?   ?       ?      ? 
1 1 1   17    5   22 o   93.953   42.842 -17.2975   34.761 -17.2975   34.761   0.0000   0.0000   93.953   42.842  ?   ?       ?      ? 
1 1 1   17    5   23 o  477.325   53.097  495.415   98.905  495.415   98.905   0.0000   0.0000  477.325   53.097  ?   ?       ?      ? 
1 1 1   17    5   24 o  404.630   46.027  348.483   72.678  348.483   72.678   0.0000   0.0000  404.630   46.027  ?   ?       ?      ? 
1 1 1   17    5   25 o  144.229   52.266   41.857   37.890   41.857   37.890   0.0000   0.0000  144.229   52.266  ?   ?       ?      ? 
1 1 1   17    5   26 o  153.578   53.088   51.707   38.707   51.707   38.707   0.0000   0.0000  153.578   53.088  ?   ?       ?      ? 
1 1 1   17    5   27 o  325.137   45.856  233.295   58.182  233.295   58.182   0.0000   0.0000  325.137   45.856  ?   ?       ?      ? 
1 1 1   17    5   28 o  170.869   59.236   71.112   48.207   71.112   48.207   0.0000   0.0000  170.869   59.236  ?   ?       ?      ? 
1 1 1   17    5   29 o   96.627   43.589  -8.0882   34.824  -8.0882   34.824   0.0000   0.0000   96.627   43.589  ?   ?       ?      ? 
1 1 1   17    5   30 o  277.670   51.907  182.767   54.177  182.767   54.177   0.0000   0.0000  277.670   51.907  ?   ?       ?      ? 
1 1 1   17    5   31 o  211.081   58.124  114.235   49.397  114.235   49.397   0.0000   0.0000  211.081   58.124  ?   ?       ?      ? 
1 1 1   17    6    0 o  723.589   26.446  996.718   67.725  945.507   79.474  1132.55  129.430  692.967   29.389  754.210   43.975 -61.24353 52.89176 
1 1 1   17    6    1 o  637.163   23.788  794.607   56.134  779.699   68.952  823.906   96.663  629.523   28.067  644.803   38.415 -15.27924 47.57634 
1 1 1   17    6    2 o  498.393   21.480  467.817   38.332  437.863   45.241  544.036   72.166  472.205   24.551  524.581   35.253 -52.37537 42.95923 
1 1 1   17    6    3 o  824.391   26.904  1364.48   84.421  1438.94  109.864  1257.14  131.917  853.786   32.974  794.996   42.521 58.79022 53.80839 
1 1 1   17    6    4 o  801.487   26.547  1280.01   79.648  1299.73   99.942  1245.69  131.856  811.777   31.549  791.197   42.705 20.57916 53.09492 
1 1 1   17    6    5 o  480.420   33.560  455.957   62.918   0.0000   0.0000  455.957   62.918  ?   ?   480.420   33.560      ?      ? 
1 1 1   17    6    6 o  373.837   23.663  274.410   34.521  274.410   34.521   0.0000   0.0000  373.837   23.663  ?   ?       ?      ? 
1 1 1   17    6    7 o  301.834   23.168  184.182   26.556  224.604   36.774  140.132   38.389  337.768   27.899  265.900   36.996 71.86813 46.33631 
1 1 1   17    6    8 o  835.861   76.324  1468.20  138.676  1448.39  145.751  1657.58  450.596  851.974   43.838  819.749  146.219 32.22522 152.6488 
1 1 1   17    6    9 o  342.135   45.487  236.323   41.407  233.387   44.557  254.912  112.109  343.567   33.234  340.704   84.687 2.862823 90.97449 
1 1 1   17    6   10 o   28.538   14.102 -13.0047   5.7448   0.0000   0.0000 -13.0047   5.7448  ?   ?    28.538   14.102      ?      ? 
1 1 1   17    6   11 o  418.938   96.116  394.554  153.798   0.0000   0.0000  394.554  153.798  ?   ?   418.938   96.116      ?      ? 
1 1 1   17    6   12 f  588.675   61.347  762.148   89.971  767.838   96.807  726.075  243.747  620.889   39.954  556.462  116.006 64.42725 122.6933 
1 1 1   17    6   13 o  259.009   42.819  165.794   32.940  178.217   35.423   86.390   89.557  300.353   30.222  217.665   80.128 82.68741 85.63829 
1 1 1   17    6   14 o  332.438   49.349  270.292   43.131  283.501   46.196  180.518  120.430  378.481   31.277  286.394   93.611 92.08688 98.69809 
1 1 1   17    6   15 f  737.642   37.855  1086.09  108.967  1086.09  108.967   0.0000   0.0000  737.642   37.855  ?   ?       ?      ? 
1 1 1   17    6   16 o  176.007   49.760   44.090   18.988   45.423   19.107 -61.3982  169.965  148.196   33.790  203.818   93.609 -55.62231 99.52069 
1 1 1   17    6   17 o  354.156   29.487  249.158   40.753  249.158   40.753   0.0000   0.0000  354.156   29.487  ?   ?       ?      ? 
1 1 1   17    6   18 o  165.734   29.941   56.321   18.652   56.321   18.652   0.0000   0.0000  165.734   29.941  ?   ?       ?      ? 
1 1 1   17    6   19 o  251.349   79.709  148.135   87.757  148.135   87.757   0.0000   0.0000  251.349   79.709  ?   ?       ?      ? 
1 1 1   17    6   20 o  433.040  113.291  532.517  193.650  532.517  193.650   0.0000   0.0000  433.040  113.291  ?   ?       ?      ? 
1 1 1   17    6   21 o  141.625   56.899   28.133   48.069   28.133   48.069   0.0000   0.0000  141.625   56.899  ?   ?       ?      ? 
1 1 1   17    6   22 o  173.602   65.384   60.670   60.289   60.670   60.289   0.0000   0.0000  173.602   65.384  ?   ?       ?      ? 
1 1 1   17    6   23 f  363.813  103.748  390.536  154.496  390.536  154.496   0.0000   0.0000  363.813  103.748  ?   ?       ?      ? 
1 1 1   17    6   24 o  339.333   53.237  252.796   70.497  252.796   70.497   0.0000   0.0000  339.333   53.237  ?   ?       ?      ? 
1 1 1   17    6   25 o  142.250   57.268   32.175   48.803   32.175   48.803   0.0000   0.0000  142.250   57.268  ?   ?       ?      ? 
1 1 1   17    6   26 o   90.865   41.679 -16.5833   33.547 -16.5833   33.547   0.0000   0.0000   90.865   41.679  ?   ?       ?      ? 
1 1 1   17    6   27 o  116.572   49.673   11.979   39.737   11.979   39.737   0.0000   0.0000  116.572   49.673  ?   ?       ?      ? 
1 1 1   17    6   28 o  340.627   49.351  264.302   65.601  264.302   65.601   0.0000   0.0000  340.627   49.351  ?   ?       ?      ? 
1 1 1   17    6   29 o  220.205   65.061  128.158   59.788  128.158   59.788   0.0000   0.0000  220.205   65.061  ?   ?       ?      ? 
1 1 1   17    6   30 o  189.578   65.658   96.175   59.220   96.175   59.220   0.0000   0.0000  189.578   65.658  ?   ?       ?      ? 
1 1 1   17    7    0 o  436.758   22.948  392.081   36.459  426.352   45.360  329.533   61.281  465.860   24.951  407.655   38.521 58.20459 45.89569 
1 1 1   17    7    1 o  489.323   24.241  492.677   42.626  529.388   52.284  419.904   73.613  518.981   25.816  459.666   41.037 59.31552 48.48209 
1 1 1   17    7    2 o  405.539   24.648  323.053   39.007  323.053   39.007   0.0000   0.0000  405.539   24.648  ?   ?       ?      ? 
1 1 1   17    7    3 o  577.364   22.684  657.420   48.359  656.426   59.457  659.362   83.120  577.782   26.370  576.946   36.918 0.8367310 45.36855 
1 1 1   17    7    4 o  515.552   22.510  547.648   43.170  634.296   56.377  424.823   67.123  568.088   25.431  463.016   37.149 105.0720 45.01920 
1 1 1   17    7    5 o  948.516   32.986  1765.55  120.502  1602.28  155.874  2008.06  189.970  896.041   44.577  1000.99   48.632 -104.9484 65.97142 
1 1 1   17    7    6 o  449.732   50.240  423.364   57.158  423.377   61.401  423.280  156.482  462.706   34.005  436.758   94.551 25.94821 100.4802 
1 1 1   17    7    7 o  392.987   45.760  423.551   52.094  511.960   60.314  163.897  103.363  509.455   30.338  276.520   86.345 232.9346 91.51922 
1 1 1   17    7    8 o  606.899   59.932  760.157   85.632  752.182   90.874  823.364  255.824  615.565   37.830  598.234  113.739 17.33075 119.8649 
1 1 1   17    7    9 o  584.874   53.288  600.464   74.634  572.500   78.312  877.390  246.438  537.052   37.366  632.696   99.812 -95.64459 106.5767 
1 1 1   17    7   10 o  494.889   36.448  485.898   70.390  485.898   70.390   0.0000   0.0000  494.889   36.448  ?   ?       ?      ? 
1 1 1   17    7   11 o  463.119   54.783  537.945   66.216  578.051   72.720  343.328  160.192  540.136   34.500  386.102  103.992 154.0340 109.5653 
1 1 1   17    7   12 f  534.125  112.504  667.216  227.094  667.216  227.094   0.0000   0.0000  534.125  112.504  ?   ?       ?      ? 
1 1 1   17    7   13 o  131.464   37.352   17.784   29.577   28.723   38.399   1.8269   46.377  137.589   52.096  125.340   53.542 12.24854 74.70391 
1 1 1   17    7   14 o  249.143   60.966  129.436   72.203  132.657  101.262  126.105  102.981  251.100   85.910  247.185   86.527 3.915131 121.9326 
1 1 1   17    7   15 o  422.555   60.216  497.499   72.567  546.813   79.388  246.951  178.941  522.544   38.931  322.565  113.965 199.9790 120.4314 
1 1 1   17    7   16 o  233.755   58.623   82.756   31.423   80.846   31.928  141.643  177.262  196.469   42.850  271.042  109.134 -74.57329 117.2453 
1 1 1   17    7   17 o  344.182   37.661  238.547   50.584  238.547   50.584   0.0000   0.0000  344.182   37.661  ?   ?       ?      ? 
1 1 1   17    7   18 o  312.528   38.356  197.855   46.779  197.855   46.779   0.0000   0.0000  312.528   38.356  ?   ?       ?      ? 
1 1 1   17    7   19 o  499.011   39.779  508.862   77.462  508.862   77.462   0.0000   0.0000  499.011   39.779  ?   ?       ?      ? 
1 1 1   17    7   20 o  533.333   29.674  571.646   61.761  571.646   61.761   0.0000   0.0000  533.333   29.674  ?   ?       ?      ? 
1 1 1   17    7   21 o  170.516   31.248   60.465   20.027   60.465   20.027   0.0000   0.0000  170.516   31.248  ?   ?       ?      ? 
1 1 1   17    7   24 o  146.125   63.390   15.050   66.954   15.050   66.954   0.0000   0.0000  146.125   63.390  ?   ?       ?      ? 
1 1 1   17    7   25 o  510.170   63.252  613.558  125.927  613.558  125.927   0.0000   0.0000  510.170   63.252  ?   ?       ?      ? 
1 1 1   17    7   26 o  118.423   56.891 -68.9495   76.550 -68.9495   76.550   0.0000   0.0000  118.423   56.891  ?   ?       ?      ? 
1 1 1   17    7   27 o  364.044   50.273  302.052   71.420  302.052   71.420   0.0000   0.0000  364.044   50.273  ?   ?       ?      ? 
1 1 1   17    7   28 o  177.285   60.202   78.448   49.722   78.448   49.722   0.0000   0.0000  177.285   60.202  ?   ?       ?      ? 
1 1 1   17    7   29 o  388.584   44.572  336.464   67.590  336.464   67.590   0.0000   0.0000  388.584   44.572  ?   ?       ?      ? 
1 1 1   17    7   30 o  106.973   47.480   0.4086   39.555   0.4086   39.555   0.0000   0.0000  106.973   47.480  ?   ?       ?      ? 
1 1 1   17    8    0 o  343.160   25.155  235.306   33.215  249.098   44.289  217.577   50.214  355.236   31.948  331.085   38.865 24.15057 50.31029 
1 1 1   17    8    1 o  703.793   25.063  959.728   64.753  921.539   78.463  1041.28  114.658  683.861   29.401  723.725   40.597 -39.86432 50.12569 
1 1 1   17    8    2 o  560.438   22.871  563.997   45.369  496.572   52.661  758.144   89.360  502.395   26.860  618.482   37.024 -116.0872 45.74121 
1 1 1   17    8    3 o  297.660   28.336  164.793   31.189  143.375   37.565  212.321   55.959  269.083   35.774  326.238   43.955 -57.15442 56.67297 
1 1 1   17    8    4 o  419.988   35.619  349.289   58.379  349.289   58.379   0.0000   0.0000  419.988   35.619  ?   ?       ?      ? 
1 1 1   17    8    5 o  905.399   45.854  1639.43  162.014  1639.43  162.014   0.0000   0.0000  905.399   45.854  ?   ?       ?      ? 
1 1 1   17    8    6 o  310.160   43.455  179.365   39.334  169.106   42.862  234.093   98.999  291.913   37.626  328.407   78.344 -36.49451 86.91065 
1 1 1   17    8    7 o  634.299   53.765  732.034   84.219  702.182   88.851  996.167  264.294  594.573   38.293  674.025  100.480 -79.45258 107.5295 
1 1 1   17    8    8 o  442.151   52.663  427.191   60.836  433.062   65.877  393.174  158.568  467.324   36.123  416.978   98.937 50.34641 105.3252 
1 1 1   17    8    9 o  446.781   52.887  443.472   62.331  452.791   67.756  392.165  158.983  477.733   36.344  415.829   99.335 61.90356 105.7743 
1 1 1   17    8   10 o  313.465   43.607  224.721   42.557  240.280   48.140  169.068   91.047  348.082   35.440  278.848   79.688 69.23431 87.21342 
1 1 1   17    8   11 o  573.293   39.669  654.967   88.748  654.967   88.748   0.0000   0.0000  573.293   39.669  ?   ?       ?      ? 
1 1 1   17    8   12 f  597.347   38.495  711.003   89.735  711.003   89.735   0.0000   0.0000  597.347   38.495  ?   ?       ?      ? 
1 1 1   17    8   13 o  426.026   40.215  362.974   66.859  362.974   66.859   0.0000   0.0000  426.026   40.215  ?   ?       ?      ? 
1 1 1   17    8   14 o  360.039   61.339  311.209   85.876  359.721  105.301  214.867  148.394  414.698   65.068  305.379  104.001 109.3197 122.6788 
1 1 1   17    8   15 o  168.292   50.239   20.951   34.595   17.151   36.231   60.197  116.449  123.617   49.492  212.967   87.443 -89.34975 100.4776 
1 1 1   17    8   16 o  238.695   61.319   97.028   43.911   94.536   45.232  137.814  183.006  209.555   54.719  267.834  109.755 -58.27859 122.6389 
1 1 1   17    8   17 o  130.220   47.085   30.216   30.726   30.216   30.726   0.0000   0.0000  130.220   47.085  ?   ?       ?      ? 
1 1 1   17    8   18 o  237.457   55.744  123.873   50.771  123.873   50.771   0.0000   0.0000  237.457   55.744  ?   ?       ?      ? 
1 1 1   17    8   19 o  285.406   55.306  179.057   59.374  179.057   59.374   0.0000   0.0000  285.406   55.306  ?   ?       ?      ? 
1 1 1   17    8   20 o  260.838   61.043  155.434   61.034  155.434   61.034   0.0000   0.0000  260.838   61.043  ?   ?       ?      ? 
1 1 1   17    8   21 o  224.717   76.645  122.917   80.595  122.917   80.595   0.0000   0.0000  224.717   76.645  ?   ?       ?      ? 
1 1 1   17    8   22 o  321.466   31.061  209.660   38.966  209.660   38.966   0.0000   0.0000  321.466   31.061  ?   ?       ?      ? 
1 1 1   17    8   23 o  169.190   64.305   58.004   58.647   58.004   58.647   0.0000   0.0000  169.190   64.305  ?   ?       ?      ? 
1 1 1   17    8   24 o  329.529   29.824  221.042   38.352  221.042   38.352   0.0000   0.0000  329.529   29.824  ?   ?       ?      ? 
1 1 1   17    8   25 o  269.489   30.149  148.919   31.706  148.919   31.706   0.0000   0.0000  269.489   30.149  ?   ?       ?      ? 
1 1 1   17    8   26 o  125.430   34.315   34.091   17.283   34.091   17.283   0.0000   0.0000  125.430   34.315  ?   ?       ?      ? 
1 1 1   17    8   27 o  267.781   29.666  148.316   31.001  148.316   31.001   0.0000   0.0000  267.781   29.666  ?   ?       ?      ? 
1 1 1   17    8   28 o  196.500   35.452   83.816   26.185   83.816   26.185   0.0000   0.0000  196.500   35.452  ?   ?       ?      ? 
1 1 1   17    8   29 o  150.462   39.276   50.891   23.308   50.891   23.308   0.0000   0.0000  150.462   39.276  ?   ?       ?      ? 
1 1 1   17    8   30 o  165.122   42.260   62.802   27.345   62.802   27.345   0.0000   0.0000  165.122   42.260  ?   ?       ?      ? 
1 1 1   17    9    0 o  186.281   30.037   82.934   18.944   93.862   21.343   42.366   41.122  218.515   25.029  154.046   54.611 64.46947 60.07322 
1 1 1   17    9    1 o  156.448   40.475   35.491   23.516   52.803   66.746   33.037   25.128  181.973   68.736  130.923   42.758 51.05043 80.95039 
1 1 1   17    9    2 o  538.389   27.643  574.829   57.881  563.131   78.356  588.879   85.871  532.711   37.692  544.066   40.445 -11.35455 55.28535 
1 1 1   17    9    3 o  792.891   74.097  1512.16  145.619  1567.59  158.250  1205.92  371.964  885.199   45.811  700.584  140.936 184.6157 148.1941 
1 1 1   17    9    4 o  559.945   58.379  677.768   80.799  681.303   86.717  654.485  222.547  585.802   37.933  534.087  110.424 51.71564 116.7581 
1 1 1   17    9    5 o  856.072   44.608  1464.95  149.023  1464.95  149.023   0.0000   0.0000  856.072   44.608  ?   ?       ?      ? 
1 1 1   17    9    6 o  338.275   34.619  226.609   45.700  226.609   45.700   0.0000   0.0000  338.275   34.619  ?   ?       ?      ? 
1 1 1   17    9    7 o  426.032   49.324  395.498   58.458  403.238   64.304  358.644  140.321  450.813   36.552  401.250   91.626 49.56284 98.64793 
1 1 1   17    9    8 o  528.032   39.433  554.909   81.256  554.909   81.256   0.0000   0.0000  528.032   39.433  ?   ?       ?      ? 
1 1 1   17    9    9 o  192.522   27.790   72.949   25.235  158.739   35.950 -10.3913   35.433  283.255   32.523  101.790   45.070 181.4648 55.57925 
1 1 1   17    9   10 o  190.438   44.395   65.293   40.128  109.247   60.171   30.085   53.852  226.969   64.754  153.906   60.750 73.06354 88.79014 
1 1 1   17    9   11 o  187.306   35.789   76.631   31.606  121.012   40.009   2.9523   51.550  242.218   43.946  132.395   56.499 109.8231 71.57768 
1 1 1   17    9   12 o  190.917   48.215   64.235   41.896   57.210   49.407   82.215   79.044  173.132   59.971  208.703   75.512 -35.57063 96.42914 
1 1 1   17    9   13 o  169.676   42.903   55.146   33.967   66.124   38.129   12.932   74.766  177.999   51.777  161.352   68.423 16.64648 85.80575 
1 1 1   17    9   14 o  254.518   49.473  156.895   48.061  176.201   52.765   62.871  116.445  294.671   45.886  214.364   87.662 80.30696 98.94517 
1 1 1   17    9   15 o  153.304   46.450   27.281   31.702   34.135   32.717 -78.1295  128.306  136.889   48.691  169.719   79.118 -32.83026 92.90086 
1 1 1   17    9   16 o  241.456   64.746   95.307   51.678   89.131   53.617  176.104  193.939  202.734   62.005  280.178  113.681 -77.44431 129.4914 
1 1 1   17    9   17 o  209.878   60.100   97.355   51.734   97.355   51.734   0.0000   0.0000  209.878   60.100  ?   ?       ?      ? 
1 1 1   17    9   18 o  207.546   77.615   91.095   84.661   91.095   84.661   0.0000   0.0000  207.546   77.615  ?   ?       ?      ? 
1 1 1   17    9   19 o  124.620   50.376   18.914   37.930   18.914   37.930   0.0000   0.0000  124.620   50.376  ?   ?       ?      ? 
1 1 1   17    9   20 o  168.908   59.954   59.813   49.578   59.813   49.578   0.0000   0.0000  168.908   59.954  ?   ?       ?      ? 
1 1 1   17    9   21 o  117.163   48.773   12.277   36.915   12.277   36.915   0.0000   0.0000  117.163   48.773  ?   ?       ?      ? 
1 1 1   17    9   22 o  139.990   56.126   29.462   46.666   29.462   46.666   0.0000   0.0000  139.990   56.126  ?   ?       ?      ? 
1 1 1   17    9   23 o  236.930   29.945  114.087   27.687  114.087   27.687   0.0000   0.0000  236.930   29.945  ?   ?       ?      ? 
1 1 1   17    9   24 o  325.957   31.487  218.065   40.052  218.065   40.052   0.0000   0.0000  325.957   31.487  ?   ?       ?      ? 
1 1 1   17    9   25 o  157.231   33.730   53.209   20.076   53.209   20.076   0.0000   0.0000  157.231   33.730  ?   ?       ?      ? 
1 1 1   17    9   26 o  152.232   33.631   50.219   19.446   50.219   19.446   0.0000   0.0000  152.232   33.631  ?   ?       ?      ? 
1 1 1   17    9   27 o   90.672   33.273   14.783   15.425   14.783   15.425   0.0000   0.0000   90.672   33.273  ?   ?       ?      ? 
1 1 1   17    9   28 o  110.234   35.779   25.686   17.604   25.686   17.604   0.0000   0.0000  110.234   35.779  ?   ?       ?      ? 
1 1 1   17    9   29 o  166.152   39.927   62.362   25.566   62.362   25.566   0.0000   0.0000  166.152   39.927  ?   ?       ?      ? 
1 1 1   17   10    0 o  457.050   29.524  408.151   52.136  350.907   68.413  487.445   80.519  419.574   41.783  494.525   41.723 -74.95102 59.04773 
1 1 1   17   10    1 o  465.189   50.764  389.812   61.197  367.340   65.247  554.144  176.439  429.887   38.893  500.490   93.783 -70.60297 101.5284 
1 1 1   17   10    2 o  219.275   46.506   75.508   44.068  174.887   78.284   29.406   53.319  285.297   70.678  153.252   60.462 132.0457 93.01134 
1 1 1   17   10    3 o  674.000  131.653  1095.63  333.857   0.0000   0.0000  1095.63  333.857  ?   ?   674.000  131.653      ?      ? 
1 1 1   17   10    4 o  455.902   45.371  479.255   67.471  843.416   97.460  144.079   93.501  651.462   38.336  260.342   82.246 391.1205 90.74144 
1 1 1   17   10    5 o  416.820   41.326  346.359   67.221  346.359   67.221   0.0000   0.0000  416.820   41.326  ?   ?       ?      ? 
1 1 1   17   10    6 o  416.184   51.194  311.417   60.458  286.206   65.439  458.366  157.987  378.228   44.335  454.141   92.292 -75.91324 102.3884 
1 1 1   17   10    7 o  746.057   43.688  1113.33  127.194  1113.33  127.194   0.0000   0.0000  746.057   43.688  ?   ?       ?      ? 
1 1 1   17   10    8 o  653.235   43.044  853.511  109.727  853.511  109.727   0.0000   0.0000  653.235   43.044  ?   ?       ?      ? 
1 1 1   17   10    9 o  789.690   45.772  1252.74  141.055  1252.74  141.055   0.0000   0.0000  789.690   45.772  ?   ?       ?      ? 
1 1 1   17   10   10 o  471.058   46.351  446.766   85.206  446.766   85.206   0.0000   0.0000  471.058   46.351  ?   ?       ?      ? 
1 1 1   17   10   11 o  432.337   45.839  376.892   77.337  376.892   77.337   0.0000   0.0000  432.337   45.839  ?   ?       ?      ? 
1 1 1   17   10   12 o  243.439   45.717  141.718   47.676  178.926   55.881   42.186   91.397  296.882   48.234  189.996   77.677 106.8859 91.43382 
1 1 1   17   10   14 o  178.375   51.855   36.652   46.502   33.287   51.164   52.633  111.505  151.843   59.437  204.907   84.989 -53.06430 103.7100 
1 1 1   17   10   15 o  328.177   77.895  246.367  114.293  161.876  139.215  421.051  200.176  265.867   99.508  390.486  119.870 -124.6190 155.7904 
1 1 1   17   10   16 o  256.897   68.294  128.287   65.498  121.666   68.853  191.306  212.421  231.565   70.145  282.229  117.201 -50.66406 136.5888 
1 1 1   17   10   17 o  185.969   59.944   35.935   39.763   38.112   40.276 -47.9833  250.016  145.148   53.680  226.788  107.198 -81.64014 119.8873 
1 1 1   17   10   18 o  110.286   46.494   6.9635   34.196   6.9635   34.196   0.0000   0.0000  110.286   46.494  ?   ?       ?      ? 
1 1 1   17   10   19 o  197.553   65.933   88.748   59.628   88.748   59.628   0.0000   0.0000  197.553   65.933  ?   ?       ?      ? 
1 1 1   17   10   20 o  220.015   70.343  116.046   68.239  116.046   68.239   0.0000   0.0000  220.015   70.343  ?   ?       ?      ? 
1 1 1   17   10   21 o  234.012   92.249  141.076  124.024  141.076  124.024   0.0000   0.0000  234.012   92.249  ?   ?       ?      ? 
1 1 1   17   10   22 o  203.490   69.888   99.163   67.029   99.163   67.029   0.0000   0.0000  203.490   69.888  ?   ?       ?      ? 
1 1 1   17   10   23 o  179.488   66.393   72.733   61.618   72.733   61.618   0.0000   0.0000  179.488   66.393  ?   ?       ?      ? 
1 1 1   17   10   24 o  476.453   34.665  473.476   64.453  473.476   64.453   0.0000   0.0000  476.453   34.665  ?   ?       ?      ? 
1 1 1   17   10   25 o   83.434   28.242   13.536   10.942   13.536   10.942   0.0000   0.0000   83.434   28.242  ?   ?       ?      ? 
1 1 1   17   10   26 o  212.926   31.020   94.290   25.775   94.290   25.775   0.0000   0.0000  212.926   31.020  ?   ?       ?      ? 
1 1 1   17   10   27 o  394.637   33.503  327.772   51.595  327.772   51.595   0.0000   0.0000  394.637   33.503  ?   ?       ?      ? 
1 1 1   17   10   28 o  263.389   54.402  180.307   34.137  177.346   34.689  271.004  191.983  291.737   30.470  235.042  104.450 56.69551 108.8033 
1 1 1   17   10   29 o  127.748   43.544   14.751   15.240   15.110   15.301 -29.8472  170.422   90.595   33.155  164.901   80.529 -74.30627 87.08702 
1 1 1   17   11    0 o  775.498   67.717  1165.91  121.677  1131.02  127.738  1507.63  399.766  752.263   43.513  798.733  128.254 -46.47058 135.4348 
1 1 1   17   11    1 o  323.026   48.954  216.613   52.910  213.731   60.531  225.946  108.920  326.260   47.543  319.792   85.589 6.468079 97.90711 
1 1 1   17   11    2 o  480.757   53.034  408.907   71.342  373.810   76.936  624.290  190.590  431.928   45.644  529.586   95.746 -97.65842 106.0688 
1 1 1   17   11    3 o  870.267   77.328  1712.17  163.501  1717.14  175.460  1679.36  450.588  923.982   48.661  816.551  146.802 107.4316 154.6568 
1 1 1   17   11    4 o  183.562   47.293   58.907   43.248   63.774   68.598   55.696   55.717  190.818   70.145  176.306   63.453 14.51260 94.58690 
1 1 1   17   11    5 o  212.399   45.325   91.851   39.598   84.499   49.688  104.647   65.554  201.332   59.262  223.467   68.597 -22.13480 90.65062 
1 1 1   17   11    6 o  439.563   47.458  388.640   81.406  388.640   81.406   0.0000   0.0000  439.563   47.458  ?   ?       ?      ? 
1 1 1   17   11    7 o  565.192   60.264  586.362   88.841  548.016   94.820  862.002  254.217  522.027   46.545  608.357  111.178 -86.33008 120.5283 
1 1 1   17   11    8 o  439.945   54.394  460.210   72.624  497.107   82.843  337.715  150.945  498.132   42.617  381.758  100.093 116.3738 108.7881 
1 1 1   17   11    9 o  228.607   47.257  114.322   45.029  130.229   56.689   87.125   74.123  246.984   59.517  210.230   73.419 36.75427 94.51321 
1 1 1   17   11   10 o  333.126   45.125  282.816   57.156  415.014   73.360   78.620   91.175  454.772   41.337  211.480   80.226 243.2921 90.24963 
1 1 1   17   11   11 o  278.242   52.711  179.999   56.624  197.894   67.038  135.448  105.777  304.847   58.479  251.637   87.716 53.20952 105.4224 
1 1 1   17   11   12 o  238.762   84.344  120.796   98.007  120.796   98.007   0.0000   0.0000  238.762   84.344  ?   ?       ?      ? 
1 1 1   17   11   13 o  154.596   56.492   42.852   44.397   42.852   44.397   0.0000   0.0000  154.596   56.492  ?   ?       ?      ? 
1 1 1   17   11   14 o  211.906   62.899   98.467   55.778   98.467   55.778   0.0000   0.0000  211.906   62.899  ?   ?       ?      ? 
1 1 1   17   11   15 o  221.482   66.277  110.032   61.746  110.032   61.746   0.0000   0.0000  221.482   66.277  ?   ?       ?      ? 
1 1 1   17   11   16 o  225.831   65.122  116.092   60.551  116.092   60.551   0.0000   0.0000  225.831   65.122  ?   ?       ?      ? 
1 1 1   17   11   17 o  214.734   76.359  105.344   80.455  105.344   80.455   0.0000   0.0000  214.734   76.359  ?   ?       ?      ? 
1 1 1   17   11   19 o  277.295   88.951  206.709  109.047  206.709  109.047   0.0000   0.0000  277.295   88.951  ?   ?       ?      ? 
1 1 1   17   11   20 o  329.659   98.327  312.761  136.064  312.761  136.064   0.0000   0.0000  329.659   98.327  ?   ?       ?      ? 
1 1 1   17   11   21 o  316.692   96.430  291.553  129.876  291.553  129.876   0.0000   0.0000  316.692   96.430  ?   ?       ?      ? 
1 1 1   17   11   23 o  194.012   70.487   93.222   68.977   93.222   68.977   0.0000   0.0000  194.012   70.487  ?   ?       ?      ? 
1 1 1   17   11   24 o  257.028   79.305  189.421   87.491  189.421   87.491   0.0000   0.0000  257.028   79.305  ?   ?       ?      ? 
1 1 1   17   11   25 o  100.951   30.502   21.455   13.031   21.455   13.031   0.0000   0.0000  100.951   30.502  ?   ?       ?      ? 
1 1 1   17   11   26 o  181.402   32.812   70.662   22.373   70.662   22.373   0.0000   0.0000  181.402   32.812  ?   ?       ?      ? 
1 1 1   17   11   27 o  103.567   48.772 -33.1212   50.886 -33.1212   50.886   0.0000   0.0000  103.567   48.772  ?   ?       ?      ? 
1 1 1   17   11   28 o  220.344   62.719  151.701   68.389  140.368   72.403  245.496  208.286  219.626   72.622  221.062  102.278 -1.436646 125.4386 
1 1 1   17   12    0 o  393.163   49.923  266.903   58.803  233.987   64.200  438.329  146.512  340.900   48.259  445.425   87.410 -104.5252 99.84670 
1 1 1   17   12    1 o  657.910   59.886  790.231   97.656  751.955  103.025  1129.03  306.514  613.033   43.065  702.787  111.762 -89.75439 119.7722 
1 1 1   17   12    2 o  453.754   51.990  442.095   69.618  445.509   77.675  428.148  156.977  472.065   42.165  435.444   95.047 36.62161 103.9796 
1 1 1   17   12    3 o  592.844   61.180  887.532  110.631  1046.92  131.994  511.162  202.828  721.481   46.881  464.206  113.023 257.2753 122.3607 
1 1 1   17   12    4 o  745.869   63.375  897.800  117.626  816.634  123.390  1706.21  389.412  635.834   49.728  855.904  116.588 -220.0702 126.7499 
1 1 1   17   12    5 o  257.718   77.781  143.784   84.773   0.0000   0.0000  143.784   84.773  ?   ?   257.718   77.781      ?      ? 
1 1 1   17   12    6 o  138.611   39.024   17.901   29.354   40.789   54.383   8.4904   34.870  162.320   61.868  114.903   47.581 47.41679 78.04882 
1 1 1   17   12    7 o  326.414   54.974  227.053   64.107  215.561   75.877  255.719  119.836  317.660   63.430  335.167   89.806 -17.50650 109.9472 
1 1 1   17   12    8 o  644.354   51.466  845.875  129.413  845.875  129.413   0.0000   0.0000  644.354   51.466  ?   ?       ?      ? 
1 1 1   17   12    9 o  604.983   61.376  762.187  144.902  762.187  144.902   0.0000   0.0000  604.983   61.376  ?   ?       ?      ? 
1 1 1   17   12   10 o  467.770   64.428  461.139  117.608  461.139  117.608   0.0000   0.0000  467.770   64.428  ?   ?       ?      ? 
1 1 1   17   12   11 o  209.988   51.033   92.505   49.826  101.947   61.157   73.866   85.930  216.870   66.202  203.105   77.684 13.76501 102.0659 
1 1 1   17   12   12 o  406.797   62.019  417.064   88.353  457.262  104.013  312.893  167.439  466.820   57.096  346.774  110.116 120.0456 124.0383 
1 1 1   17   12   13 o  132.243   42.566  -4.7492   37.440   9.4880   39.990 -105.8183  106.549  120.886   50.580  143.601   68.478 -22.71507 85.13279 
1 1 1   17   12   14 o  194.266   53.710   71.543   56.283   93.884   61.555 -42.3700  138.996  206.302   66.899  182.230   84.044 24.07219 107.4192 
1 1 1   17   12   15 o  319.992   77.893  250.514  106.642  190.076  123.946  422.771  209.250  272.268   94.949  367.716  123.508 -95.44870 155.7863 
1 1 1   17   12   16 o  321.288   82.134  205.502   98.766  142.967  106.413  594.324  265.343  241.334   87.570  401.241  138.980 -159.9075 164.2677 
1 1 1   17   12   17 o  258.772   72.137  136.685   64.895  129.528   66.608  270.523  288.039  233.609   68.573  283.934  126.935 -50.32462 144.2734 
1 1 1   17   12   18 o  245.533   72.550  147.468   74.342  147.468   74.342   0.0000   0.0000  245.533   72.550  ?   ?       ?      ? 
1 1 1   17   12   19 o  144.918   58.120   32.033   50.058   32.033   50.058   0.0000   0.0000  144.918   58.120  ?   ?       ?      ? 
1 1 1   17   12   20 o  188.069   66.153   80.598   60.229   80.598   60.229   0.0000   0.0000  188.069   66.153  ?   ?       ?      ? 
1 1 1   17   12   21 o  138.734   56.869   26.638   49.151   26.638   49.151   0.0000   0.0000  138.734   56.869  ?   ?       ?      ? 
1 1 1   17   12   23 o  109.169   49.016  -6.6847   43.444  -6.6847   43.444   0.0000   0.0000  109.169   49.016  ?   ?       ?      ? 
1 1 1   17   12   24 o  155.458   62.502   49.506   58.047   49.506   58.047   0.0000   0.0000  155.458   62.502  ?   ?       ?      ? 
1 1 1   17   12   25 o  125.466   54.901   10.679   51.156   10.679   51.156   0.0000   0.0000  125.466   54.901  ?   ?       ?      ? 
1 1 1   17   12   26 o  219.866   30.915  100.701   26.525  100.701   26.525   0.0000   0.0000  219.866   30.915  ?   ?       ?      ? 
1 1 1   17   12   27 o   96.207   31.927   18.928   13.989   18.928   13.989   0.0000   0.0000   96.207   31.927  ?   ?       ?      ? 
1 1 1   17   12   28 o  269.583   51.085  232.945   38.988  234.329   39.646  192.322  214.849  334.359   30.385  204.808   97.547 129.5514 102.1702 
1 1 1   17   13    0 o  425.871   54.762  316.488   70.444  273.821   77.028  534.524  174.128  366.603   53.842  485.139   95.375 -118.5359 109.5232 
1 1 1   17   13    1 o  639.548   45.499  823.356  113.555  823.356  113.555   0.0000   0.0000  639.548   45.499  ?   ?       ?      ? 
1 1 1   17   13    2 o  243.911   48.458  127.984   46.626  129.566   57.514  124.951   79.639  246.204   60.333  241.618   75.847 4.585480 96.91661 
1 1 1   17   13    3 o  143.931   38.921   26.642   30.827   49.150   47.322   10.048   40.631  164.164   58.542  123.699   51.304 40.46480 77.84150 
1 1 1   17   13    4 o  483.951   49.201  474.823   92.919  474.823   92.919   0.0000   0.0000  483.951   49.201  ?   ?       ?      ? 
1 1 1   17   13    5 o  383.436   58.582  281.357   74.764  235.218   84.877  441.091  157.928  329.556   68.244  437.318   95.238 -107.7621 117.1647 
1 1 1   17   13    6 f  237.610   55.361  113.095   58.834   84.059   74.920  159.809   95.028  207.193   73.684  268.026   82.643 -60.83357 110.7213 
1 1 1   17   13    7 o  175.828   50.068   37.400   54.617 -73.2731  110.871   72.862   62.760  158.991   73.926  192.665   67.542 -33.67371 100.1353 
1 1 1   17   13    8 o  184.207   67.417   62.745   63.265   0.0000   0.0000   62.745   63.265  ?   ?   184.207   67.417      ?      ? 
1 1 1   17   13    9 o  314.618   76.820  249.898  111.704  161.130  237.898  275.004  126.519  289.780  122.422  339.456   92.834 -49.67651 153.6403 
1 1 1   17   13   10 f  206.857   59.074   65.258   68.938   74.855  126.276   61.183   82.282  221.445   91.006  192.270   75.343 29.17455 118.1473 
1 1 1   17   13   11 o  255.655   58.432  152.107   66.318  162.151   85.434  136.878  105.194  264.856   77.638  246.455   87.348 18.40097 116.8639 
1 1 1   17   13   12 o  208.633   56.095   86.261   59.504   92.408   69.486   69.358  115.227  206.970   71.153  210.297   86.739 -3.327469 112.1890 
1 1 1   17   13   13 o  222.507   55.761  113.012   68.037  161.921   78.840 -29.6683  134.658  262.704   73.835  182.309   83.579 80.39502 111.5217 
1 1 1   17   13   14 o  201.927   57.908   75.008   59.420   82.676   64.161   28.801  157.507  195.193   68.300  208.661   93.533 -13.46771 115.8158 
1 1 1   17   13   15 o  261.145   66.129  174.941   76.114  182.054   81.966  130.398  205.118  274.231   74.608  248.058  109.204 26.17313 132.2573 
1 1 1   17   13   16 o  213.983   64.304   78.953   55.524   78.971   56.941   78.610  250.436  188.358   64.422  239.607  111.309 -51.24973 128.6075 
1 1 1   17   13   17 o  192.030   66.063 -22.1502   60.709 -34.2668   62.322  202.835  268.552  120.494   55.818  263.566  119.755 -143.0723 132.1251 
1 1 1   17   13   18 o  225.043   72.569  123.736   72.507  123.736   72.507   0.0000   0.0000  225.043   72.569  ?   ?       ?      ? 
1 1 1   17   13   19 o  159.876   62.067   47.898   55.442   47.898   55.442   0.0000   0.0000  159.876   62.067  ?   ?       ?      ? 
1 1 1   17   13   20 o  140.516   57.812   27.013   51.030   27.013   51.030   0.0000   0.0000  140.516   57.812  ?   ?       ?      ? 
1 1 1   17   13   21 o  191.497   69.857   88.764   67.848   88.764   67.848   0.0000   0.0000  191.497   69.857  ?   ?       ?      ? 
1 1 1   17   13   22 o  299.665  102.591  320.095  144.403  320.095  144.403   0.0000   0.0000  299.665  102.591  ?   ?       ?      ? 
1 1 1   17   13   23 o  159.979   79.157 -142.7733  183.086 -142.7733  183.086   0.0000   0.0000  159.979   79.157  ?   ?       ?      ? 
1 1 1   17   13   24 o  230.225  101.033  221.125  174.349  221.125  174.349   0.0000   0.0000  230.225  101.033  ?   ?       ?      ? 
1 1 1   17   13   25 o  176.249   80.497   52.321  123.342   52.321  123.342   0.0000   0.0000  176.249   80.497  ?   ?       ?      ? 
1 1 1   17   13   26 o  203.473   88.957  136.977  134.039  136.977  134.039   0.0000   0.0000  203.473   88.957  ?   ?       ?      ? 
1 1 1   17   13   27 o  124.710   35.011   34.327   17.737   34.327   17.737   0.0000   0.0000  124.710   35.011  ?   ?       ?      ? 
1 1 1   17   14    0 o  149.904   42.696   3.6977   42.211 -48.6330   57.311   65.745   62.405  112.973   52.736  186.834   67.163 -73.86119 85.39293 
1 1 1   17   14    1 o  327.644   55.050  233.378   63.896  225.700   75.072  253.564  121.719  324.827   61.475  330.461   91.339 -5.634125 110.0997 
1 1 1   17   14    2 o  220.695   47.479  104.334   47.001  142.064   63.576   58.855   69.798  255.733   63.889  185.658   70.251 70.07581 94.95832 
1 1 1   17   14    3 o  550.260   52.204  620.730  112.098  620.730  112.098   0.0000   0.0000  550.260   52.204  ?   ?       ?      ? 
1 1 1   17   14    4 o  175.769   43.938   51.553   38.423   90.415   60.033   24.586   50.008  206.888   65.961  144.651   58.064 62.23749 87.87605 
1 1 1   17   14    5 o  367.190   69.667  295.416   96.175  295.416   96.175   0.0000   0.0000  367.190   69.667  ?   ?       ?      ? 
1 1 1   17   14    6 o  133.111   39.337   11.997   34.034  -6.8473   55.800   23.160   42.947  130.200   57.147  136.022   54.074 -5.822556 78.67459 
1 1 1   17   14    7 o  270.484   60.182  168.096   70.501  161.935   94.084  175.985  106.465  265.821   82.276  275.148   87.853 -9.326813 120.3635 
1 1 1   17   14    8 o  464.317   82.893  495.987  144.688  495.987  144.688   0.0000   0.0000  464.317   82.893  ?   ?       ?      ? 
1 1 1   17   14    9 o  440.608   82.756  451.312  137.068  451.312  137.068   0.0000   0.0000  440.608   82.756  ?   ?       ?      ? 
1 1 1   17   14   10 o  182.363   50.581   56.100   52.276   60.693   68.960   49.895   80.156  182.672   69.657  182.055   73.358 0.6171112 101.1610 
1 1 1   17   14   11 o  280.245   62.968  193.178   76.313  187.485   97.860  202.013  121.904  277.846   83.505  282.644   94.270 -4.798462 125.9357 
1 1 1   17   14   12 o  181.534   51.747   52.812   57.811   84.210   66.345 -46.2245  117.829  197.393   69.431  165.675   76.749 31.71744 103.4945 
1 1 1   17   14   13 o  200.129   57.003   75.873   63.385   84.843   72.304   46.094  131.742  198.157   72.141  202.101   88.278 -3.944153 114.0059 
1 1 1   17   14   14 o  174.333   56.334  -3.8461   78.921   15.796   91.072 -63.0758  158.145  166.983   73.156  181.684   85.687 -14.70045 112.6682 
1 1 1   17   14   15 o  275.833   76.447  190.601  103.905  144.929  118.081  347.296  218.716  238.775   91.127  312.890  122.771 -74.11537 152.8948 
1 1 1   17   14   16 o  130.018   47.953 -81.3248   41.198 -78.4947   42.169 -140.6897  193.133   79.631   39.128  180.405   87.562 -100.7742 95.90633 
1 1 1   17   14   17 o  164.801   53.726  -3.7846   67.936   6.6189   75.715 -46.7505  153.871  149.961   66.167  179.641   84.662 -29.68005 107.4514 
1 1 1   17   14   18 f  138.715   64.992 -47.2565   88.394 -47.2565   88.394   0.0000   0.0000  138.715   64.992  ?   ?       ?      ? 
1 1 1   17   14   19 o  134.247   64.332 -81.6505   96.538 -81.6505   96.538   0.0000   0.0000  134.247   64.332  ?   ?       ?      ? 
1 1 1   17   14   20 o  190.991   87.557   41.018  147.770   41.018  147.770   0.0000   0.0000  190.991   87.557  ?   ?       ?      ? 
1 1 1   17   14   21 o  171.787   83.364 -66.6884  174.864 -66.6884  174.864   0.0000   0.0000  171.787   83.364  ?   ?       ?      ? 
1 1 1   17   14   22 o  239.462  108.860  274.025  222.280  274.025  222.280   0.0000   0.0000  239.462  108.860  ?   ?       ?      ? 
1 1 1   17   14   23 o  181.107   88.054  -7.0791  197.582  -7.0791  197.582   0.0000   0.0000  181.107   88.054  ?   ?       ?      ? 
1 1 1   17   14   24 o  160.935   68.479   49.754   75.328   49.754   75.328   0.0000   0.0000  160.935   68.479  ?   ?       ?      ? 
1 1 1   17   14   25 o  277.875   89.602  259.761  110.541  259.761  110.541   0.0000   0.0000  277.875   89.602  ?   ?       ?      ? 
1 1 1   17   14   26 o  141.697   62.861   21.782   69.248   21.782   69.248   0.0000   0.0000  141.697   62.861  ?   ?       ?      ? 
1 1 1   17   15    0 f  331.757   60.883  237.501   75.918  237.501   75.918   0.0000   0.0000  331.757   60.883  ?   ?       ?      ? 
1 1 1   17   15    1 o  349.707   59.773  264.822   74.930  234.542   88.676  340.417  140.113  323.815   72.034  375.598   95.407 -51.78278 119.5464 
1 1 1   17   15    2 o  397.278   55.200  381.736   77.460  434.968   94.972  275.964  133.873  458.163   53.118  336.393   96.780 121.7698 110.3992 
1 1 1   17   15    3 o  344.289   61.515  251.635   76.749  207.298   90.558  364.680  144.600  301.114   76.818  387.463   96.100 -86.34875 123.0298 
1 1 1   17   15    4 o  219.073   45.143   93.442   44.920  172.229   68.501   34.003   59.498  279.290   64.195  158.857   63.486 120.4329 90.28587 
1 1 1   17   15    5 o  316.698   57.732  237.235   71.329  250.180   92.047  217.777  112.853  332.476   72.948  300.920   89.501 31.55661 115.4641 
1 1 1   17   15    6 o  238.932   56.921  128.712   62.807  124.938   86.828  132.854   90.960  235.884   79.558  241.979   81.430 -6.095734 113.8429 
1 1 1   17   15    7 o  142.701   41.815   17.287   38.181   31.712   56.648   5.2790   51.685  153.939   61.796  131.464   56.349 22.47534 83.63004 
1 1 1   17   15    8 o  253.092   58.937  151.578   67.882  169.166   94.471  132.804   97.604  266.045   82.461  240.139   84.228 25.90643 117.8736 
1 1 1   17   15    9 o  258.182   61.395  163.010   75.223  197.809  100.255  118.181  113.789  284.140   84.323  232.224   89.258 51.91566 122.7896 
1 1 1   17   15   10 o  311.132   63.974  254.633   86.342  315.663  115.037  175.899  130.661  358.996   83.662  263.268   96.805 95.72830 127.9474 
1 1 1   17   15   11 o  384.296  132.406  512.942  240.682  512.942  240.682   0.0000   0.0000  384.296  132.406  ?   ?       ?      ? 
1 1 1   17   15   12 o  256.625   71.294  168.809  107.792  100.762  154.671  233.069  150.305  227.756   97.547  285.494  104.001 -57.73828 142.5888 
1 1 1   17   15   13 o  203.268   59.057   69.805   62.434   57.519   69.547  120.823  141.722  175.934   69.167  230.602   95.744 -54.66791 118.1144 
1 1 1   17   15   14 f  248.808   72.972  154.914  109.811  125.057  132.975  218.930  194.713  229.322   93.717  268.295  111.879 -38.97328 145.9441 
1 1 1   17   15   15 o  262.746   75.617  177.183  107.503  136.372  123.336  306.226  219.315  232.445   91.878  293.046  120.126 -60.60060 151.2341 
1 1 1   17   15   16 o  262.804   68.146  202.244   94.028  229.484  116.207  150.596  160.016  286.280   91.824  239.327  100.717 46.95253 136.2919 
1 1 1   17   15   17 o  234.063   60.359  146.480   70.183  157.081   81.414  115.809  138.478  247.280   76.535  220.846   93.356 26.43413 120.7187 
1 1 1   17   15   18 o  133.385   63.629 -70.8643   92.169 -70.8643   92.169   0.0000   0.0000  133.385   63.629  ?   ?       ?      ? 
1 1 1   17   15   19 o  142.273   59.536   27.328   55.414   27.328   55.414   0.0000   0.0000  142.273   59.536  ?   ?       ?      ? 
1 1 1   17   15   20 o  130.584   55.979   16.533   51.019   16.533   51.019   0.0000   0.0000  130.584   55.979  ?   ?       ?      ? 
1 1 1   17   15   21 o  129.268   56.614   11.274   54.500   11.274   54.500   0.0000   0.0000  129.268   56.614  ?   ?       ?      ? 
1 1 1   17   15   22 o  134.995   59.608   13.280   61.559   13.280   61.559   0.0000   0.0000  134.995   59.608  ?   ?       ?      ? 
1 1 1   17   15   23 o  208.959  100.373  154.089  238.121  154.089  238.121   0.0000   0.0000  208.959  100.373  ?   ?       ?      ? 
1 1 1   17   15   24 f  174.747   72.615   74.306   81.620   74.306   81.620   0.0000   0.0000  174.747   72.615  ?   ?       ?      ? 
1 1 1   17   15   25 o  130.880   58.922   6.3809   63.262   6.3809   63.262   0.0000   0.0000  130.880   58.922  ?   ?       ?      ? 
1 1 1   17   16    0 o  379.696   61.365  321.249   82.195  284.660   96.896  415.139  155.217  353.668   72.638  405.724   98.926 -52.05600 122.7297 
1 1 1   17   16    1 o  251.314   79.180  146.752   86.705  146.752   86.705   0.0000   0.0000  251.314   79.180  ?   ?       ?      ? 
1 1 1   17   16    2 o  168.862   68.573   38.332   70.628   38.332   70.628   0.0000   0.0000  168.862   68.573  ?   ?       ?      ? 
1 1 1   17   16    3 o  407.139   79.021  385.785  121.022  385.785  121.022   0.0000   0.0000  407.139   79.021  ?   ?       ?      ? 
1 1 1   17   16    4 o  189.937   49.266   68.214   47.975   97.246   73.163   46.315   63.543  211.071   72.986  168.802   66.193 42.26959 98.53117 
1 1 1   17   16    5 o  187.401   48.522   62.042   47.611  108.394   72.875   27.525   62.887  219.398   72.874  155.404   64.086 63.99388 97.04459 
1 1 1   17   16    6 o  159.440   45.894   29.480   44.870   55.837   68.907   10.077   59.123  177.805   69.148  141.076   60.363 36.72902 91.78875 
1 1 1   17   16    7 o  417.126  156.944  734.518  347.197  734.518  347.197   0.0000   0.0000  417.126  156.944  ?   ?       ?      ? 
1 1 1   17   16    8 o  621.616  112.231  1070.04  262.231  1070.04  262.231   0.0000   0.0000  621.616  112.231  ?   ?       ?      ? 
1 1 1   17   16    9 o  277.485   67.623  205.893   91.429  255.570  126.372  151.330  132.441  308.046   95.356  246.924   95.911 61.12134 135.2462 
1 1 1   17   16   10 o  303.894  103.588  266.865  147.217   0.0000   0.0000  266.865  147.217  ?   ?   303.894  103.588      ?      ? 
1 1 1   17   16   11 o  232.512   64.303  130.573   82.700  129.524  102.797  132.498  139.235  229.920   85.615  235.103   95.968 -5.182281 128.6067 
1 1 1   17   16   12 o  231.984   61.743  135.779   75.087  150.318   88.484   98.372  141.928  243.827   80.267  220.141   93.842 23.68549 123.4867 
1 1 1   17   16   13 o  276.846   66.084  227.255   91.095  267.232  107.191  123.316  172.840  320.119   84.549  233.572  101.588 86.54680 132.1685 
1 1 1   17   16   14 o  220.177   65.180   88.362   74.168   68.467   81.263  187.598  181.490  186.098   74.255  254.256  107.145 -68.15802 130.3600 
1 1 1   17   16   15 o  273.520   75.856  218.872  114.108  151.244  141.678  343.734  192.512  237.160   96.806  309.880  116.811 -72.71941 151.7115 
1 1 1   17   16   16 f  132.396   43.474 -24.0872   41.864 -32.8952   46.695   11.995   94.509  101.869   47.569  162.923   72.782 -61.05307 86.94867 
1 1 1   17   16   17 o  236.052   59.997  162.359   76.670  201.576   91.571   70.405  140.218  272.445   80.525  199.660   88.962 72.78555 119.9935 
1 1 1   17   16   18 o  129.186   56.636   7.4239   54.668   7.4239   54.668   0.0000   0.0000  129.186   56.636  ?   ?       ?      ? 
1 1 1   17   16   19 o  191.201   73.159   94.029   76.230   94.029   76.230   0.0000   0.0000  191.201   73.159  ?   ?       ?      ? 
1 1 1   17   16   20 o  182.798   69.829   84.995   69.376   84.995   69.376   0.0000   0.0000  182.798   69.829  ?   ?       ?      ? 
1 1 1   17   16   21 o  192.020   77.168  101.134   88.443  101.134   88.443   0.0000   0.0000  192.020   77.168  ?   ?       ?      ? 
1 1 1   17   16   22 o  219.733   85.679  157.182  106.005  157.182  106.005   0.0000   0.0000  219.733   85.679  ?   ?       ?      ? 
1 1 1   17   16   23 o  182.411   88.024   30.060  188.144   30.060  188.144   0.0000   0.0000  182.411   88.024  ?   ?       ?      ? 
1 1 1   17   16   24 o  175.981   72.429   80.527   80.131   80.527   80.131   0.0000   0.0000  175.981   72.429  ?   ?       ?      ? 
1 1 1   17   17    0 o  207.311   55.545   86.101   62.502  121.235   91.990   55.973   85.185  228.792   81.618  185.831   75.362 42.96095 111.0899 
1 1 1   17   17    1 o  315.648   87.593  251.292  111.699  251.292  111.699   0.0000   0.0000  315.648   87.593  ?   ?       ?      ? 
1 1 1   17   17    2 o  316.688   61.261  257.908   79.506  298.111  105.523  205.119  120.919  352.404   78.718  280.971   93.890 71.43311 122.5227 
1 1 1   17   17    3 o  167.795   49.137   20.302   57.796 -58.1539   87.510   80.999   76.971  138.113   64.696  197.478   73.976 -59.36581 98.27489 
1 1 1   17   17    4 o  277.743   61.346  195.658   73.548  194.962   98.561  196.533  110.480  279.031   83.790  276.456   89.623 2.575928 122.6913 
1 1 1   17   17    5 o  194.258   54.554   70.821   61.950   58.417   87.488   83.293   87.732  186.944   76.164  201.572   78.126 -14.62866 109.1082 
1 1 1   17   17    6 o  245.815   91.280  151.781  116.692  151.781  116.692   0.0000   0.0000  245.815   91.280  ?   ?       ?      ? 
1 1 1   17   17    7 o  320.767   97.696  284.832  133.297  284.832  133.297   0.0000   0.0000  320.767   97.696  ?   ?       ?      ? 
1 1 1   17   17    8 o  236.590   87.068  139.932  105.731  139.932  105.731   0.0000   0.0000  236.590   87.068  ?   ?       ?      ? 
1 1 1   17   17    9 o  250.193   86.992  162.908  104.007  162.908  104.007   0.0000   0.0000  250.193   86.992  ?   ?       ?      ? 
1 1 1   17   17   10 o  174.976   53.122   36.506   64.785   62.940   76.556 -30.1813  121.596  181.778   72.216  168.174   77.928 13.60388 106.2448 
1 1 1   17   17   11 o  286.324   69.702  246.911   97.773  275.928  117.609  181.984  175.923  318.831   90.381  253.818  106.135 65.01257 139.4036 
1 1 1   17   17   12 o  337.494   71.750  366.634  111.876  432.183  137.465  238.052  192.532  403.495   89.632  271.493  112.065 132.0016 143.5009 
1 1 1   17   17   13 o  201.657   61.275   73.577   86.651  100.175  104.106   13.597  156.333  209.230   83.851  194.084   89.374 15.14578 122.5504 
1 1 1   17   17   14 o  246.970   68.330  180.874  105.645  240.947  125.930   38.149  194.108  284.758   95.812  209.182   97.448 75.57596 136.6603 
1 1 1   17   17   15 o  254.627   68.692  205.516  102.319  257.049  126.641  108.639  173.638  290.088   96.052  219.167   98.227 70.92091 137.3844 
1 1 1   17   17   16 o  261.819   65.747  212.508   97.250  326.962  131.038   72.171  145.100  324.738   96.411  198.899   89.419 125.8391 131.4944 
1 1 1   17   17   17 o  157.269   74.297 -31.0802  119.806   0.0000   0.0000 -31.0802  119.806  ?   ?   157.269   74.297      ?      ? 
1 1 1   17   17   18 o  146.632   62.076   32.292   61.372   32.292   61.372   0.0000   0.0000  146.632   62.076  ?   ?       ?      ? 
1 1 1   17   17   19 o  127.367   55.930   10.021   53.505   10.021   53.505   0.0000   0.0000  127.367   55.930  ?   ?       ?      ? 
1 1 1   17   17   20 f  134.673   58.216   20.055   56.071   20.055   56.071   0.0000   0.0000  134.673   58.216  ?   ?       ?      ? 
1 1 1   17   17   21 o   87.092   42.566 -71.1841   47.906 -71.1841   47.906   0.0000   0.0000   87.092   42.566  ?   ?       ?      ? 
1 1 1   17   17   22 o  153.549   67.394   35.399   77.604   35.399   77.604   0.0000   0.0000  153.549   67.394  ?   ?       ?      ? 
1 1 1   17   17   23 o  172.779   82.844   22.699  160.603   22.699  160.603   0.0000   0.0000  172.779   82.844  ?   ?       ?      ? 
1 1 1   17   18    0 o  227.646   59.028  111.242   70.988  192.458  109.269   51.929   93.379  270.366   89.206  184.927   77.327 85.43898 118.0558 
1 1 1   17   18    1 o  156.979   50.511  -3.0439   56.626 -18.6993  126.181   0.9042   63.366  175.779   80.703  138.178   60.767 37.60019 101.0229 
1 1 1   17   18    2 o  302.849   73.953  262.444  103.664  308.044  169.787  235.344  130.892  315.503  111.061  290.195   97.682 25.30762 147.9064 
1 1 1   17   18    3 o  339.675   69.126  319.290   95.610  312.259  123.630  329.753  150.811  343.148   90.882  336.203  104.184 6.945404 138.2529 
1 1 1   17   18    4 o  223.001   58.811  113.075   69.199  161.495  104.906   75.780   92.070  249.724   87.337  196.278   78.786 53.44612 117.6218 
1 1 1   17   18    5 o  213.418   60.277   98.777   74.434  111.465  119.207   90.669   95.295  221.540   89.393  205.296   80.883 16.24467 120.5537 
1 1 1   17   18    6 o  184.584   54.263   49.936   66.708   3.1472   96.765   92.313   92.089  164.139   73.462  205.028   79.882 -40.88867 108.5257 
1 1 1   17   18    7 o  281.907   71.293  229.955   98.053  214.552  126.929  252.750  154.411  275.587   96.085  288.227  105.348 -12.64014 142.5856 
1 1 1   17   18    8 o  296.045   71.144  265.484  102.155  305.757  130.797  202.494  163.577  329.725   95.894  262.364  105.120 67.36115 142.2879 
1 1 1   17   18    9 o  157.941   49.981  -8.0996   66.851   44.990   81.446 -117.7166  117.032  173.006   72.269  142.875   69.062 30.13071 99.96148 
1 1 1   17   18   10 o  246.299   68.193  150.418   85.956  122.948   99.725  229.801  169.529  222.249   84.002  270.348  107.446 -48.09903 136.3850 
1 1 1   17   18   11 o  206.055   61.277   88.407   83.449  115.545   97.134   11.938  163.050  216.516   82.646  195.593   90.494 20.92290 122.5540 
1 1 1   17   18   12 o  177.067   56.368   23.925   78.276   45.579   91.269 -36.3022  152.212  175.927   75.130  178.207   84.053 -2.279831 112.7359 
1 1 1   17   18   13 o  210.424   63.676   97.311   83.377   91.902   94.664  116.020  176.070  199.174   79.909  221.674   99.162 -22.50038 127.3523 
1 1 1   17   18   14 o  203.104   64.165   47.647   72.454   17.199   77.952  240.920  196.399  152.464   67.211  253.743  109.322 -101.2787 128.3300 
1 1 1   17   18   15 o  187.501   60.690   44.138  100.994   86.100  139.957  -1.4520  145.882  198.897   88.732  176.105   82.824 22.79178 121.3798 
1 1 1   17   18   16 o  178.788   54.051   66.669   67.989   93.866   78.376 -16.0243  136.665  190.948   73.889  166.628   78.909 24.32001 108.1028 
1 1 1   17   18   17 o  196.379   60.592   80.229   70.709   53.794   78.399  195.495  163.708  165.674   70.150  227.084   98.817 -61.40985 121.1849 
1 1 1   17   18   18 o  169.788   69.068   66.172   71.808   66.172   71.808   0.0000   0.0000  169.788   69.068  ?   ?       ?      ? 
1 1 1   17   18   19 o  185.659   72.848   91.233   77.004   91.233   77.004   0.0000   0.0000  185.659   72.848  ?   ?       ?      ? 
1 1 1   17   18   20 f  326.603  122.151  555.792  209.708  555.792  209.708   0.0000   0.0000  326.603  122.151  ?   ?       ?      ? 
1 1 1   17   18   21 o  282.329  112.662  408.352  187.084  408.352  187.084   0.0000   0.0000  282.329  112.662  ?   ?       ?      ? 
1 1 1   17   18   22 o  217.007   93.713  192.712  145.000  192.712  145.000   0.0000   0.0000  217.007   93.713  ?   ?       ?      ? 
1 1 1   17   19    0 o  178.762   52.867   29.887   69.360 -85.1022  110.522  104.600   89.087  146.130   69.700  211.393   79.507 -65.26363 105.7331 
1 1 1   17   19    1 f  239.117   66.124  146.823   96.810   39.710  160.371  208.234  121.430  205.245   92.975  272.989   94.049 -67.74449 132.2483 
1 1 1   17   19    2 o  208.008   62.781   65.653   78.815  148.925  158.871   38.468   90.773  240.898  100.808  175.118   74.858 65.78079 125.5624 
1 1 1   17   19    3 o  360.305  113.388  415.968  177.861   0.0000   0.0000  415.968  177.861  ?   ?   360.305  113.388      ?      ? 
1 1 1   17   19    4 o  169.820   54.000   3.1626   67.861   48.019  126.139 -15.1082   80.504  195.008   85.748  144.633   65.659 50.37488 107.9994 
1 1 1   17   19    5 o  174.107   53.935   27.141   70.057   18.711  101.521   34.805   96.799  172.049   76.229  176.163   76.321 -4.113907 107.8691 
1 1 1   17   19    6 o  254.644   92.494  179.516  118.762  179.516  118.762   0.0000   0.0000  254.644   92.494  ?   ?       ?      ? 
1 1 1   17   19    7 o  258.704   72.414  195.219  105.137  186.082  128.261  213.934  183.558  255.705   95.551  261.703  108.836 -5.997391 144.8279 
1 1 1   17   19    8 o  250.878   70.532  184.323  103.522  198.356  129.429  159.402  172.476  260.774   96.272  240.982  103.105 19.79205 141.0634 
1 1 1   17   19    9 o  332.137   81.757  399.332  132.237  411.501  163.164  376.039  225.738  359.662  107.765  304.612  122.979 55.04935 163.5145 
1 1 1   17   19   10 o  187.835   59.316   45.155   85.636   69.864   99.198 -27.1313  169.672  189.748   79.547  185.923   88.011 3.824814 118.6323 
1 1 1   17   19   11 o  185.699   59.931   23.697   84.358  -1.8031   97.905   97.185  166.208  158.080   72.012  213.318   95.819 -55.23792 119.8619 
1 1 1   17   19   12 o  183.532   58.653   43.435   86.171   63.366  100.453 -12.0917  167.668  183.434   78.590  183.631   87.089 -0.1962433 117.3063 
1 1 1   17   19   13 o  180.244   57.364   45.485   73.666   37.497   83.619   73.176  155.686  162.958   70.767  197.529   90.302 -34.57092 114.7277 
1 1 1   17   19   14 o  164.173   52.118   33.920   63.455   47.988   70.982 -22.0667  141.601  161.140   67.402  167.206   79.512 -6.066574 104.2367 
1 1 1   17   19   15 o  207.241   59.927  128.176   76.581  140.182   89.658   95.787  147.260  217.816   80.175  196.665   89.091 21.15129 119.8549 
1 1 1   17   19   16 o  175.053   53.497   62.313   71.111  102.167   80.160 -84.9212  154.073  193.370   74.753  156.736   76.547 36.63474 106.9932 
1 1 1   17   19   17 o  167.613   52.881   44.581   71.277   81.712   77.378 -163.4096  183.136  179.854   72.215  155.373   77.269 24.48116 105.7612 
1 1 1   17   19   18 o  164.960   70.688   53.906   81.296   53.906   81.296   0.0000   0.0000  164.960   70.688  ?   ?       ?      ? 
1 1 1   17   19   19 o  192.927   78.959  106.902   94.567  106.902   94.567   0.0000   0.0000  192.927   78.959  ?   ?       ?      ? 
1 1 1   17   19   20 o  277.503  114.733  435.584  202.281  435.584  202.281   0.0000   0.0000  277.503  114.733  ?   ?       ?      ? 
1 1 1   17   20    0 o  192.839   53.553   65.846   62.826  137.142   91.750   2.9020   86.209  230.564   81.590  155.115   69.388 75.44806 107.1054 
1 1 1   17   20    1 o  236.464   65.012  116.599   85.195   41.544  104.478  265.544  147.180  181.400   78.940  291.527  103.319 -110.1265 130.0241 
1 1 1   17   20    2 o  204.232   56.803   76.312   72.128  167.802  104.609  -6.6002   99.585  248.319   87.193  160.146   72.827 88.17276 113.6057 
1 1 1   17   20    3 o  191.674   61.339   14.440   85.530  129.680  168.485 -25.5676   99.273  229.998  100.165  153.351   70.831 76.64694 122.6788 
1 1 1   17   20    4 o  200.969   60.112   79.890   81.994  101.632  108.846   51.365  124.673  209.410   85.094  192.529   84.930 16.88089 120.2245 
1 1 1   17   20    5 o  180.716   56.673   34.330   77.866   30.488   99.407   40.431  125.259  173.170   76.135  188.261   83.968 -15.09059 113.3452 
1 1 1   17   20    6 o  253.623   73.308  165.417  106.264   92.715  126.038  344.139  197.614  207.115   88.364  300.131  116.995 -93.01581 146.6155 
1 1 1   17   20    7 o  185.890   63.862 -85.8777  134.711   6.4492  232.022 -132.8264  165.454  208.088   99.721  163.692   79.808 44.39600 127.7247 
1 1 1   17   20    8 o  265.761   81.527  283.591  167.323  129.988  257.265  396.201  220.278  229.643  108.607  301.879  121.620 -72.23582 163.0547 
1 1 1   17   20    9 o  199.290   66.926   23.385  139.601   43.757  212.836   8.0027  184.941  205.697   97.718  192.882   91.473 12.81532 133.8513 
1 1 1   17   20   10 o  192.805   64.386   24.125  128.571 -39.5382  193.185   74.745  172.262  183.733   88.791  201.877   93.265 -18.14415 128.7724 
1 1 1   17   20   11 o  216.863   69.678  124.311  129.450  249.616  193.876   23.507  173.891  245.827  107.242  187.900   88.991 57.92668 139.3567 
1 1 1   17   20   12 o  172.846   57.392   9.1064   98.181 -25.5840  156.948   31.410  125.845  171.079   81.994  174.613   80.326 -3.533890 114.7835 
1 1 1   17   20   13 o  209.892   66.415  130.871  107.970  201.902  177.731   89.325  135.926  226.901  100.681  192.882   86.645 34.01866 132.8303 
1 1 1   17   20   14 o  168.190   56.243   3.0544   97.118 -11.1161  149.602   13.376  127.681  168.853   80.692  167.527   78.370 1.326660 112.4856 
1 1 1   17   20   15 o  132.440   46.146 -165.6977   88.340 -36.9670  116.367 -340.8033  135.718  149.774   71.461  115.107   58.406 34.66745 92.29260 
1 1 1   17   20   16 o  172.278   58.068   4.5953  109.038   46.387  136.327 -69.6093  181.659  177.621   82.379  166.934   81.860 10.68651 116.1352 
1 1 1   17   20   17 o  134.110   66.821 -184.1965  139.659 -184.1965  139.659   0.0000   0.0000  134.110   66.821  ?   ?       ?      ? 
1 1 1   17   20   18 o  177.622   85.193   28.334  170.130   28.334  170.130   0.0000   0.0000  177.622   85.193  ?   ?       ?      ? 
1 1 1   17   20   19 o  159.982   80.554 -195.4643  229.899 -195.4643  229.899   0.0000   0.0000  159.982   80.554  ?   ?       ?      ? 
1 1 1   17   21    0 o  146.628   51.856 -112.6085   78.119 -163.9323  210.136 -104.3780   84.150  175.451   86.431  117.804   57.320 57.64659 103.7110 
1 1 1   17   21    1 f  220.637   70.023   49.283   99.469  345.339  223.556 -23.7944  111.069  282.992  119.066  158.283   73.728 124.7093 140.0453 
1 1 1   17   21    2 o  269.767   79.777  253.233  128.256  410.436  246.617  194.953  150.160  293.634  124.380  245.899   99.937 47.73470 159.5548 
1 1 1   17   21    3 o  211.959   67.107   99.986  108.763  119.921  195.344   91.030  130.935  220.671  100.982  203.248   88.409 17.42264 134.2142 
1 1 1   17   21    4 o  244.176   69.409  190.739   99.593  177.357  127.096  212.030  160.309  239.680   93.717  248.672  102.408 -8.992554 138.8171 
1 1 1   17   21    5 o  204.636   64.903   91.034  103.807   91.395  126.072   90.272  182.932  200.295   86.937  208.976   96.393 -8.681717 129.8060 
1 1 1   17   21    6 o  223.185   69.301  153.965  117.197  176.609  144.872  111.081  199.366  232.739   96.731  213.631   99.265 19.10815 138.6020 
1 1 1   17   21    7 o  207.689   64.859  114.184  104.191  139.951  129.490   66.869  175.469  216.791   90.884  198.587   92.558 18.20427 129.7187 
1 1 1   17   21    8 o  266.037   74.361  281.245  114.286  278.639  137.505  287.067  205.530  279.569   99.781  252.505  110.280 27.06384 148.7212 
1 1 1   17   21    9 o  302.651   78.827  386.048  121.913  366.618  145.844  431.119  222.124  319.158  102.921  286.144  119.423 33.01419 157.6532 
1 1 1   17   21   10 o  114.014   40.505 -99.6475   51.589 -89.6698   56.139 -153.8110  130.800   92.012   45.198  136.016   67.228 -44.00439 81.00900 
1 1 1   17   21   11 o  195.339   57.709  104.675   79.631  147.869   94.141  -3.9472  149.288  220.011   81.930  170.667   81.294 49.34415 115.4177 
1 1 1   17   21   12 o  132.509   44.407 -29.5475   56.431 -19.0473   66.102 -57.7662  108.363  124.060   57.476  140.958   67.709 -16.89848 88.81448 
1 1 1   17   21   13 o  202.417   60.741  122.648   80.935  121.332   97.132  125.636  146.384  202.339   81.027  202.494   90.511 -0.1542816 121.4813 
1 1 1   17   21   14 o  185.636   58.552   79.718   79.163   76.192   90.934   90.756  160.875  178.316   75.529  192.957   89.490 -14.64108 117.1035 
1 1 1   17   21   15 o  207.970   67.564  145.105  121.744   93.665  155.239  227.286  196.216  191.878   88.608  224.062  102.021 -32.18411 135.1283 
1 1 1   17   21   16 f  193.726   63.637   96.896   98.215   83.706  107.522  163.341  241.327  181.892   79.594  205.561   99.316 -23.66853 127.2746 
1 1 1   17   21   17 o  109.673   54.592 -151.8414   92.293 -151.8414   92.293   0.0000   0.0000  109.673   54.592  ?   ?       ?      ? 
1 1 1   17   22    0 o  241.599   75.208  190.537  123.024  430.882  235.742  100.586  144.219  282.386  120.673  200.812   89.794 81.57402 150.4157 
1 1 1   17   22    1 o  184.448   61.317   30.338  100.440   83.979  197.209   11.550  116.712  202.703   95.627  166.193   76.776 36.51054 122.6337 
1 1 1   17   22    2 f  173.681   56.012   29.061   85.281   72.704  119.124 -16.8234  122.144  186.932   82.711  160.430   75.554 26.50212 112.0244 
1 1 1   17   22    3 o  189.822   59.850   75.080   88.883   51.818  117.174  106.604  136.406  178.632   80.327  201.012   88.746 -22.38062 119.7002 
1 1 1   17   22    4 o  282.486   74.609  341.090  123.694  412.915  156.148  220.092  202.671  333.782  106.376  231.189  104.643 102.5933 149.2176 
1 1 1   17   22    5 o  276.516   85.087  447.584  173.290  409.782  253.641  480.675  237.310  263.147  118.271  289.884  122.357 -26.73669 170.1747 
1 1 1   17   22    6 o  209.592   67.466  107.062  119.218  273.775  190.493  -0.2783  152.854  245.848  106.787  173.337   82.481 72.51056 134.9322 
1 1 1   17   22    7 o  215.762   67.398  155.195  112.042   94.309  152.794  226.015  164.787  195.512   89.410  236.012  100.874 -40.49994 134.7953 
1 1 1   17   22    8 o  224.846   64.629  180.794   93.846  208.352  110.440  109.195  178.014  249.170   89.372  200.522   93.382 48.64761 129.2576 
1 1 1   17   22    9 o  182.033   56.713   74.961   78.283   99.289   89.758  -2.3578  160.016  190.928   77.383  173.137   82.930 17.79160 113.4267 
1 1 1   17   22   10 o  164.499   54.197   18.923   69.571   8.1187   77.686   62.682  156.340  142.900   64.724  186.100   86.949 -43.19981 108.3941 
1 1 1   17   22   11 f  258.655   71.264  274.377  104.480  273.287  126.473  276.720  185.406  274.360   95.898  242.949  105.440 31.41119 142.5273 
1 1 1   17   22   12 o  116.582   40.327 -90.2350   58.802 -62.6497   70.879 -151.1342  105.314  113.175   54.465  119.988   59.488 -6.812698 80.65485 
1 1 1   17   22   13 o  253.854   68.421  265.825  106.151  342.697  135.935  145.687  169.936  302.652   99.481  205.055   93.964 97.59753 136.8416 
1 1 1   17   22   14 o  138.538   47.675 -70.2738   79.233 -45.5673   95.472 -124.9443  142.020  134.587   64.357  142.488   70.356 -7.900574 95.35079 
1 1 1   17   22   15 o  155.314   52.904 -15.5569   87.014  -0.7813   99.598 -63.1962  178.838  148.201   69.294  162.428   79.961 -14.22630 105.8084 
1 1 1   17   23    0 f  151.628   52.639 -85.4849   97.588 -128.6639  188.191 -69.6034  114.133  161.743   80.069  141.514   68.355 20.22876 105.2780 
1 1 1   17   23    1 o  161.061   75.946  -5.9015  124.119  -5.9015  124.119   0.0000   0.0000  161.061   75.946  ?   ?       ?      ? 
1 1 1   17   23    2 o  366.677  118.289  581.365  192.636  581.365  192.636   0.0000   0.0000  366.677  118.289  ?   ?       ?      ? 
1 1 1   17   23    3 o  152.055   72.659 -37.6078  121.259 -37.6078  121.259   0.0000   0.0000  152.055   72.659  ?   ?       ?      ? 
1 1 1   17   23    4 o  290.301  108.041  361.549  163.659  361.549  163.659   0.0000   0.0000  290.301  108.041  ?   ?       ?      ? 
1 1 1   17   23    5 o  187.525   60.986   71.264   99.107   45.658  124.879  114.834  162.895  175.068   80.343  199.982   91.771 -24.91461 121.9711 
1 1 1   17   23    6 o  218.379   66.702  169.243  100.963  158.101  122.679  192.629  177.732  216.475   89.413  220.283   99.005 -3.808350 133.4043 
1 1 1   17   23    7 o  157.295   52.440  -4.9031   81.308   24.087   95.272 -82.6298  156.002  157.730   71.537  156.860   76.696 0.8695679 104.8800 
1 1 1   17   23    8 o  217.443   64.544  168.824   95.190  189.161  113.415  120.354  175.089  234.130   89.320  200.755   93.196 33.37593 129.0874 
1 1 1   17   23    9 o  180.712   57.272   72.332   82.142   87.813   97.562   34.637  152.234  184.072   78.116  177.353   83.775 6.718887 114.5437 
1 1 1   17   23   10 o  191.059   60.396   94.910   96.908  153.954  125.586   8.0109  152.357  211.343   89.098  170.775   81.560 40.56837 120.7913 
1 1 1   17   23   11 f  220.229   67.883  192.398  116.263  283.314  157.767   84.346  171.995  251.426  102.338  189.031   89.216 62.39426 135.7670 
1 1 1   17   23   12 o  162.907   54.907   1.9009   96.084 -10.2852  129.709   16.719  143.032  157.947   75.384  167.867   79.852 -9.919800 109.8138 
1 1 1   17   23   13 f  171.638   57.769   30.694  106.911 -21.0508  152.008   81.347  150.395  161.011   78.040  182.266   85.199 -21.25523 115.5380 
1 1 1   17   24    0 o  172.344   57.072   27.797   95.735   8.7380  129.853   50.493  141.700  165.461   77.917  179.226   83.415 -13.76550 114.1449 
1 1 1   17   24    1 o  174.980   57.340   39.557   94.755   81.415  126.513 -13.9239  143.004  185.488   83.433  164.472   78.679 21.01520 114.6797 
1 1 1   17   24    2 o  206.020   64.574  141.329  102.543  143.831  130.780  137.337  165.219  207.830   89.373  204.210   93.228 3.619217 129.1471 
1 1 1   17   24    3 o  183.785   60.147   67.854   98.946   69.294  120.744   64.910  172.644  180.229   81.246  187.342   88.711 -7.113480 120.2934 
1 1 1   17   24    4 o  194.584   62.355  107.210  101.472  123.277  121.240   69.631  185.410  199.704   85.967  189.465   90.344 10.23843 124.7091 
1 1 1   17   24    5 o  167.917   56.335   14.586   93.448   21.934  109.911  -4.5824  177.509  161.467   74.562  174.366   84.469 -12.89915 112.6700 
1 1 1   17   24    6 o  242.958   73.350  257.103  115.728  206.088  138.477  375.253  210.738  229.202   94.859  256.715  111.906 -27.51332 146.7008 
1 1 1   17   24    7 o  194.662   61.890  114.524   96.994  123.020  116.419   95.243  175.377  197.874   84.686  191.450   90.276 6.424469 123.7798 
1 1 1   17   24    8 o  192.195   61.360   92.171   92.185   36.246  113.210  202.221  158.809  165.219   76.072  219.171   96.298 -53.95261 122.7198 
1 1 1   17   24    9 o  213.543   63.783  167.473  106.346  272.713  134.050 -11.2465  174.687  257.951   97.416  169.135   82.361 88.81575 127.5666 
1 1 1   17   25    0 o  165.730   57.120 -24.6485  118.353 -46.8967  190.063 -10.5576  151.258  167.491   82.450  163.969   79.074 3.521835 114.2391 
1 1 1   17   25    1 o  158.801   53.675  -7.9890   89.840 -27.6414  112.828   26.057  148.506  146.968   70.189  170.633   81.224 -23.66522 107.3491 
1 1 1   17   25    2 o  152.542   51.814 -25.1336   88.541   11.656  105.009 -115.6161  164.683  154.110   71.753  150.975   74.768 3.135880 103.6276 
1 1 1   17   25    3 o  189.210   62.132   78.733   96.287   24.185  112.252  230.632  187.320  160.080   74.417  218.340   99.519 -58.25974 124.2650 
1 1 1   17   25    4 o  226.305   98.446  238.255  162.380  238.255  162.380   0.0000   0.0000  226.305   98.446  ?   ?       ?      ? 
1 1 1   18    0    0 o  534.005   18.629  562.435   54.595  562.435   54.595  562.435   54.595  534.005   26.345  534.005   26.345 0.000000 0.000000 
1 1 1   18    0    1 o  222.562   17.071  100.291   20.343  100.291   20.343  100.291   20.343  222.562   24.142  222.562   24.142 -0.000000 0.000000 
1 1 1   18    0    3 o  309.204   16.751  190.349   28.199  190.349   28.199  190.349   28.199  309.204   23.690  309.204   23.690 -0.000000 0.000000 
1 1 1   18    0    4 o  187.791   17.045   72.334   16.867   72.334   16.867   72.334   16.867  187.791   24.105  187.791   24.105 -0.000000 0.000000 
1 1 1   18    0    5 o  584.126   27.348  679.758   87.276  679.758   87.276  679.758   87.276  584.126   38.676  584.126   38.676 -0.000000 0.000000 
1 1 1   18    0    6 o  127.357   18.992   35.656   11.748   35.656   11.748   35.656   11.748  127.357   26.859  127.357   26.859 -0.000000 0.000000 
1 1 1   18    0    7 o  201.363   16.532   82.493   17.726   82.493   17.726   82.493   17.726  201.363   23.380  201.363   23.380 -0.000000 0.000000 
1 1 1   18    0    8 o  359.664   16.746  256.476   32.909  256.476   32.909  256.476   32.909  359.664   23.683  359.664   23.683 0.000000 0.000000 
1 1 1   18    0   10 o  434.617   25.422  378.889   60.017  378.889   60.017  378.889   60.017  434.617   35.952  434.617   35.952 -0.000000 0.000000 
1 1 1   18    0   11 o  884.114   31.230  1554.93  151.514  1554.93  151.514  1554.93  151.514  884.114   44.167  884.114   44.167 0.000000 0.000000 
1 1 1   18    0   12 o  486.337   24.520  471.980   65.044  471.980   65.044  471.980   65.044  486.337   34.677  486.337   34.677 -0.000000 0.000000 
1 1 1   18    0   13 o  576.766   25.484  662.178   80.391  662.178   80.391  662.178   80.391  576.766   36.040  576.766   36.040 0.000000 0.000000 
1 1 1   18    0   14 o  118.752   27.202   35.181   15.761   35.181   15.761   35.181   15.761  118.752   38.469  118.752   38.469 0.000000 0.000000 
1 1 1   18    0   15 o  163.771   25.777   59.886   20.358   59.886   20.358   59.886   20.358  163.771   36.455  163.771   36.455 0.000000 0.000000 
1 1 1   18    1    0 o  839.830   22.798  1391.01   74.717  1397.44  105.960  1384.65  105.374  841.756   32.257  837.904   32.226 3.852051 45.59649 
1 1 1   18    1    1 o  255.600   16.323  128.197   16.276  132.219   23.057  124.203   22.980  259.616   22.758  251.584   23.406 8.031540 32.64618 
1 1 1   18    1    2 o  897.393   23.728  1589.74   83.094  1583.10  116.963  1596.51  118.069  895.529   33.469  899.258   33.645 -3.728882 47.45661 
1 1 1   18    1    3 o  154.599   16.824   47.566   9.8717   41.391   13.747   54.141   14.185  143.041   25.565  166.158   21.877 -23.11742 33.64736 
1 1 1   18    1    4 o  410.269   17.132  330.483   27.428  330.231   38.643  330.740   38.937  410.119   24.145  410.418   24.311 -0.2984619 34.26384 
1 1 1   18    1    5 o  809.497   31.705  1305.40  100.102  1340.00  144.480  1273.47  138.820  819.673   45.169  799.320   44.504 20.35284 63.40975 
1 1 1   18    1    6 o  626.255   19.588  770.760   47.838  743.340   66.206  800.717   69.200  614.633   27.602  637.876   27.799 -23.24213 39.17526 
1 1 1   18    1    7 o  356.420   20.638  247.914   26.756  243.855   32.308  256.776   47.735  352.420   23.492  360.420   33.939 -8.000397 41.27635 
1 1 1   18    1    8 o  421.308   19.906  344.385   31.105  333.490   38.153  365.981   53.715  412.074   23.726  430.542   31.971 -18.46805 39.81262 
1 1 1   18    1    9 o  606.510   26.870  729.320   63.428  740.563   93.445  719.715   86.374  610.505   39.223  602.516   36.735 7.988892 53.73918 
1 1 1   18    1   10 o  469.481   21.493  406.144   35.886  369.503   41.961  505.931   69.246  433.544   24.801  505.418   35.109 -71.87399 42.98510 
1 1 1   18    1   11 o  460.566   24.815  422.445   44.359  457.583   61.549  384.469   63.987  481.043   32.787  440.090   37.258 40.95245 49.63021 
1 1 1   18    1   12 o  354.315   21.693  247.544   29.942  242.018   40.969  253.879   43.869  350.172   29.981  358.458   31.361 -8.285461 43.38581 
1 1 1   18    1   13 o  290.722   19.851  164.549   22.303  152.495   29.191  181.452   34.568  278.220   26.886  303.225   29.213 -25.00522 39.70248 
1 1 1   18    1   14 o  179.261   24.429   76.867   16.336  111.159   21.062   25.089   25.881  237.813   22.695  120.709   43.267 117.1045 48.85802 
1 1 1   18    1   15 o  230.498   36.993  134.699   24.579  145.453   26.377   63.804   67.726  271.729   24.875  189.266   69.680 82.46356 73.98646 
1 1 1   18    1   16 o  201.762   43.892   81.720   24.676   84.142   25.411   41.645  103.360  205.878   31.629  197.647   81.889 8.230515 87.78497 
1 1 1   18    2    0 o  886.591   23.537  1550.84   81.411  1525.66  113.509  1577.52  116.827  879.245   33.082  893.937   33.489 -14.69263 47.07383 
1 1 1   18    2    1 o  195.196   16.715   74.789   12.520   57.752   17.202   93.980   18.257  171.450   25.710  218.943   21.368 -47.49358 33.43062 
1 1 1   18    2    2 o  465.743   17.712  425.367   32.166  405.523   44.505  447.068   46.542  454.383   25.099  477.103   24.998 -22.72031 35.42378 
1 1 1   18    2    3 o  429.118   17.356  361.577   29.057  372.252   41.285  351.100   40.902  435.421   24.297  422.815   24.789 12.60559 34.71113 
1 1 1   18    2    4 o  564.008   18.833  624.255   41.412  658.904   60.047  592.829   57.187  578.913   26.580  549.103   26.688 29.81055 37.66582 
1 1 1   18    2    5 o  1216.40   41.403  2941.30  196.538  2941.30  196.538   0.0000   0.0000  1216.40   41.403  ?   ?       ?      ? 
1 1 1   18    2    6 o  643.290   37.644  820.240   94.500   0.0000   0.0000  820.240   94.500  ?   ?   643.290   37.644      ?      ? 
1 1 1   18    2    7 o  375.310   19.595  259.250   27.017  228.017   32.340  331.411   49.157  340.698   24.324  409.923   30.729 -69.22461 39.19089 
1 1 1   18    2    8 o  426.563   21.299  368.482   33.792  395.494   42.797  323.763   55.067  448.649   24.444  404.477   34.887 44.17230 42.59858 
1 1 1   18    2    9 o  802.985   42.337  1285.13  132.667   0.0000   0.0000  1285.13  132.667  ?   ?   802.985   42.337      ?      ? 
1 1 1   18    2   10 o  680.684   24.242  875.273   59.554  813.123   70.652  1027.82  110.690  642.421   28.182  718.948   39.453 -76.52637 48.48460 
1 1 1   18    2   11 f  264.223   22.504  130.904   19.567  125.234   22.113  151.367   42.008  252.546   22.437  275.899   39.017 -23.35284 45.00845 
1 1 1   18    2   12 o  192.005   28.605   78.712   15.680   80.711   17.056   67.798   39.851  202.775   21.554  181.235   52.995 21.53976 57.21048 
1 1 1   18    2   13 o  657.215   27.221  860.051   69.667  866.218   95.703  853.099  101.611  660.166   37.148  654.264   39.798 5.901794 54.44123 
1 1 1   18    2   14 o  340.560   29.788  229.194   39.588  229.194   39.588   0.0000   0.0000  340.560   29.788  ?   ?       ?      ? 
1 1 1   18    2   17 o  331.955   32.667  219.682   42.318  219.682   42.318   0.0000   0.0000  331.955   32.667  ?   ?       ?      ? 
1 1 1   18    2   18 o  190.301   30.915   72.245   22.958   72.245   22.958   0.0000   0.0000  190.301   30.915  ?   ?       ?      ? 
1 1 1   18    2   19 o  339.547   27.608  229.607   36.583  229.607   36.583   0.0000   0.0000  339.547   27.608  ?   ?       ?      ? 
1 1 1   18    2   20 o  205.903   45.176   90.976   35.302   90.976   35.302   0.0000   0.0000  205.903   45.176  ?   ?       ?      ? 
1 1 1   18    2   22 o  460.424   36.289  434.823   65.203  434.823   65.203   0.0000   0.0000  460.424   36.289  ?   ?       ?      ? 
1 1 1   18    2   24 o  256.808   32.381  134.585   32.451  134.585   32.451   0.0000   0.0000  256.808   32.381  ?   ?       ?      ? 
1 1 1   18    2   25 o  177.036   33.724   66.338   22.448   66.338   22.448   0.0000   0.0000  177.036   33.724  ?   ?       ?      ? 
1 1 1   18    2   26 o  317.539   33.313  209.019   41.281  209.019   41.281   0.0000   0.0000  317.539   33.313  ?   ?       ?      ? 
1 1 1   18    2   28 o  311.585   30.803  201.750   37.455  201.750   37.455   0.0000   0.0000  311.585   30.803  ?   ?       ?      ? 
1 1 1   18    2   29 o  173.011   32.344   64.293   21.035   64.293   21.035   0.0000   0.0000  173.011   32.344  ?   ?       ?      ? 
1 1 1   18    2   30 o  393.469   33.330  326.869   51.177  326.869   51.177   0.0000   0.0000  393.469   33.330  ?   ?       ?      ? 
1 1 1   18    2   31 o  243.324   31.092  124.504   29.523  124.504   29.523   0.0000   0.0000  243.324   31.092  ?   ?       ?      ? 
1 1 1   18    3    0 o  430.499   17.479  363.962   29.362  364.636   41.365  363.277   41.687  430.914   24.599  430.084   24.838 0.8303833 34.95710 
1 1 1   18    3    1 o  776.091   21.915  1186.93   66.363  1212.14   94.671  1162.58   93.052  784.204   30.936  767.979   31.049 16.22534 43.82957 
1 1 1   18    3    2 o  567.298   18.952  632.777   41.954  639.017   59.367  626.552   59.298  570.111   26.684  564.485   26.919 5.625793 37.90324 
1 1 1   18    3    3 o  983.606   30.770  1959.81  114.034  2072.90  146.216  1784.22  182.193  1023.34   36.614  943.874   49.464 79.46460 61.54031 
1 1 1   18    3    4 o  701.214   24.498  979.988   65.670  1227.26   94.165  745.851   91.629  789.057   30.581  613.370   38.281 175.6870 48.99574 
1 1 1   18    3    5 o  894.719   68.804  1422.71  103.224  1391.56  105.536  2110.31  495.857  839.673   32.208  949.765  133.785 -110.0918 137.6076 
1 1 1   18    3    6 o  1058.76   32.020  2156.93  121.399  2041.61  143.659  2444.99  227.046  1015.37   36.256  1102.14   52.789 -86.76947 64.04039 
1 1 1   18    3    7 f  365.165   31.888  263.245   45.441   0.0000   0.0000  263.245   45.441  ?   ?   365.165   31.888      ?      ? 
1 1 1   18    3    8 o  592.177   23.195  681.831   50.479  660.753   61.348  726.021   88.828  579.409   27.132  604.946   37.627 -25.53632 46.38904 
1 1 1   18    3    9 o  600.130   23.249  657.474   49.390  591.285   57.475  844.355   96.576  548.096   26.871  652.164   37.947 -104.0679 46.49785 
1 1 1   18    3   10 o  545.206   38.482  590.637   81.874   0.0000   0.0000  590.637   81.874  ?   ?   545.206   38.482      ?      ? 
1 1 1   18    3   11 o  658.087   24.898  886.088   61.817  1039.14   82.859  693.971   92.833  725.844   29.252  590.331   40.297 135.5132 49.79520 
1 1 1   18    3   12 o  337.181   21.923  239.541   24.597  255.844   28.768  195.220   47.433  361.124   20.414  313.238   38.803 47.88550 43.84544 
1 1 1   18    3   13 o  501.967   25.333  495.981   49.624  495.981   49.624   0.0000   0.0000  501.967   25.333  ?   ?       ?      ? 
1 1 1   18    3   14 o  467.966   35.268  435.122   64.406  435.122   64.406   0.0000   0.0000  467.966   35.268  ?   ?       ?      ? 
1 1 1   18    3   15 o  266.028   45.989  180.086   34.010  190.707   35.751   78.965  110.316  310.449   29.510  221.608   87.116 88.84056 91.97813 
1 1 1   18    3   17 o  176.429   32.398   63.905   21.484   63.905   21.484   0.0000   0.0000  176.429   32.398  ?   ?       ?      ? 
1 1 1   18    3   18 o  447.969   35.071  403.198   61.310  403.198   61.310   0.0000   0.0000  447.969   35.071  ?   ?       ?      ? 
1 1 1   18    3   20 o  605.907   47.812  769.004  113.050  769.004  113.050   0.0000   0.0000  605.907   47.812  ?   ?       ?      ? 
1 1 1   18    3   22 o  152.581   49.924   49.411   34.250   49.411   34.250   0.0000   0.0000  152.581   49.924  ?   ?       ?      ? 
1 1 1   18    3   23 o  422.288   37.127  367.797   61.183  367.797   61.183   0.0000   0.0000  422.288   37.127  ?   ?       ?      ? 
1 1 1   18    3   24 o  229.072   42.219  113.168   36.351  113.168   36.351   0.0000   0.0000  229.072   42.219  ?   ?       ?      ? 
1 1 1   18    3   25 o  168.766   40.995   62.347   26.731   62.347   26.731   0.0000   0.0000  168.766   40.995  ?   ?       ?      ? 
1 1 1   18    3   26 o  362.406   34.386  273.701   48.631  273.701   48.631   0.0000   0.0000  362.406   34.386  ?   ?       ?      ? 
1 1 1   18    3   27 o  104.705   37.019   21.441   18.883   21.441   18.883   0.0000   0.0000  104.705   37.019  ?   ?       ?      ? 
1 1 1   18    3   28 f  401.330   34.280  339.700   53.688  339.700   53.688   0.0000   0.0000  401.330   34.280  ?   ?       ?      ? 
1 1 1   18    3   29 o  227.619   83.729  165.674   97.760  165.674   97.760   0.0000   0.0000  227.619   83.729  ?   ?       ?      ? 
1 1 1   18    3   30 o  144.968   61.183   36.240   59.325   36.240   59.325   0.0000   0.0000  144.968   61.183  ?   ?       ?      ? 
1 1 1   18    4    0 o  578.374   23.850  674.105   50.896  705.225   63.363  617.515   85.445  598.814   27.115  557.934   39.244 40.87994 47.70048 
1 1 1   18    4    1 o  444.564   24.703  388.183   42.857  388.183   42.857   0.0000   0.0000  444.564   24.703  ?   ?       ?      ? 
1 1 1   18    4    2 o  266.864   20.660  141.541   20.106  143.984   24.541  136.553   35.064  270.852   23.219  262.875   34.181 7.977112 41.32100 
1 1 1   18    4    3 o  550.487   26.422  595.832   56.761  595.832   56.761   0.0000   0.0000  550.487   26.422  ?   ?       ?      ? 
1 1 1   18    4    4 o  585.146   22.555  600.139   46.105  519.187   52.964  853.375   93.677  513.839   26.413  656.453   36.568 -142.6138 45.10935 
1 1 1   18    4    5 f  368.415   43.384  260.920   32.243  257.385   33.498  305.492  118.942  362.044   23.709  374.785   83.466 -12.74094 86.76842 
1 1 1   18    4    6 o  478.819   25.147  450.611   46.987  450.611   46.987   0.0000   0.0000  478.819   25.147  ?   ?       ?      ? 
1 1 1   18    4    7 o  812.923   26.702  1311.39   80.973  1312.22  100.784  1309.87  135.996  815.273   31.678  810.573   42.993 4.699768 53.40348 
1 1 1   18    4    8 o  481.396   38.550  460.250   72.421   0.0000   0.0000  460.250   72.421  ?   ?   481.396   38.550      ?      ? 
1 1 1   18    4    9 o  572.938   23.855  652.575   50.012  658.680   61.125  640.212   86.984  578.415   27.080  567.461   39.280 10.95453 47.71011 
1 1 1   18    4   10 o  220.340   44.065  100.272   36.566   0.0000   0.0000  100.272   36.566  ?   ?   220.340   44.065      ?      ? 
1 1 1   18    4   11 o  268.594   26.111  162.340   20.289  174.497   22.932  118.517   43.539  298.307   19.699  238.882   48.364 59.42461 52.22154 
1 1 1   18    4   12 f  150.831   29.063   53.095   12.992   56.740   13.556   12.022   45.510  170.054   20.428  131.609   54.417 38.44455 58.12540 
1 1 1   18    4   13 o  289.449   42.500  201.212   26.555  206.856   27.712  137.834   92.861  324.504   21.884  254.395   82.135 70.10994 85.00021 
1 1 1   18    4   14 o  353.569   48.494  367.190   37.234  389.964   39.060  140.559  123.218  445.345   22.475  261.793   94.347 183.5523 96.98727 
1 1 1   18    4   15 o  205.474   29.489   83.588   23.646   83.588   23.646   0.0000   0.0000  205.474   29.489  ?   ?       ?      ? 
1 1 1   18    4   16 o  218.199   77.831   96.010   83.650   96.010   83.650   0.0000   0.0000  218.199   77.831  ?   ?       ?      ? 
1 1 1   18    4   17 o  660.650  154.633  1317.38  391.613  1317.38  391.613   0.0000   0.0000  660.650  154.633  ?   ?       ?      ? 
1 1 1   18    4   18 o  219.066   77.405  103.058   82.549  103.058   82.549   0.0000   0.0000  219.066   77.405  ?   ?       ?      ? 
1 1 1   18    4   19 o  359.906  101.577  342.008  148.892  342.008  148.892   0.0000   0.0000  359.906  101.577  ?   ?       ?      ? 
1 1 1   18    4   20 o  353.155  103.915  346.667  152.797  346.667  152.797   0.0000   0.0000  353.155  103.915  ?   ?       ?      ? 
1 1 1   18    4   22 o  242.630   86.594  152.281  103.560  152.281  103.560   0.0000   0.0000  242.630   86.594  ?   ?       ?      ? 
1 1 1   18    4   23 o  512.292  170.874  1343.33  400.518  1343.33  400.518   0.0000   0.0000  512.292  170.874  ?   ?       ?      ? 
1 1 1   18    4   24 o  109.513   51.068 -35.0007   53.523 -35.0007   53.523   0.0000   0.0000  109.513   51.068  ?   ?       ?      ? 
1 1 1   18    4   25 o  440.007  148.865  953.644  304.015  953.644  304.015   0.0000   0.0000  440.007  148.865  ?   ?       ?      ? 
1 1 1   18    4   26 o  303.884  100.668  317.416  139.101  317.416  139.101   0.0000   0.0000  303.884  100.668  ?   ?       ?      ? 
1 1 1   18    4   27 o   70.198   33.107 -22.2759   23.606 -22.2759   23.606   0.0000   0.0000   70.198   33.107  ?   ?       ?      ? 
1 1 1   18    4   28 o  396.810   38.308  338.431   59.320  338.431   59.320   0.0000   0.0000  396.810   38.308  ?   ?       ?      ? 
1 1 1   18    4   29 o  207.751   44.212   98.444   34.743   98.444   34.743   0.0000   0.0000  207.751   44.212  ?   ?       ?      ? 
1 1 1   18    4   30 o  127.983   44.337   35.667   27.005   35.667   27.005   0.0000   0.0000  127.983   44.337  ?   ?       ?      ? 
1 1 1   18    5    0 o  1035.59   32.724  2084.93  120.262  2007.52  141.872  2282.58  226.697  1007.07   36.100  1064.11   54.592 -57.05035 65.44804 
1 1 1   18    5    1 o  322.965   20.008  187.936   23.406  162.263   27.606  253.584   44.143  287.408   24.613  358.523   31.551 -71.11484 40.01591 
1 1 1   18    5    2 o  679.245   24.543  932.357   63.198  1018.31   82.724  811.871   97.942  718.929   29.486  639.560   39.242 79.36926 49.08538 
1 1 1   18    5    3 o  652.817   23.765  731.440   53.340  626.086   60.649  1091.25  112.081  564.043   27.553  741.591   38.729 -177.5483 47.53033 
1 1 1   18    5    4 o  474.628   21.619  454.988   37.920  481.240   47.449  408.589   63.082  494.923   24.568  454.333   35.580 40.59033 43.23747 
1 1 1   18    5    5 o  463.618   21.520  401.558   35.981  369.018   42.584  482.775   67.275  433.293   25.184  493.943   34.902 -60.64935 43.03919 
1 1 1   18    5    6 o  413.752   24.412  336.374   39.416  336.374   39.416   0.0000   0.0000  413.752   24.412  ?   ?       ?      ? 
1 1 1   18    5    7 o  627.964   23.951  752.883   54.505  710.194   65.053  853.452   99.849  600.535   27.758  655.393   39.040 -54.85767 47.90243 
1 1 1   18    5    8 o  412.716   20.961  300.030   30.022  263.226   34.395  417.794   61.525  365.997   24.081  459.434   34.316 -93.43698 41.92233 
1 1 1   18    5    9 o  597.361   28.157  704.564   65.353  651.960   87.583  770.650   98.167  572.578   39.197  622.144   40.434 -49.56610 56.31416 
1 1 1   18    5   10 o  493.554   52.518  465.626   64.856  449.595   69.055  585.547  188.867  475.847   37.187  511.260   98.233 -35.41312 105.0364 
1 1 1   18    5   11 o  482.595   54.865  519.265   66.967  528.591   72.274  462.664  178.044  516.140   35.882  449.050  103.697 67.09024 109.7294 
1 1 1   18    5   12 o  486.965   54.065  563.208   66.386  588.286   72.140  424.554  169.627  544.793   33.932  429.136  102.667 115.6568 108.1294 
1 1 1   18    5   13 o  426.516   52.802  411.640   54.806  419.378   58.613  357.804  154.602  460.030   32.649  393.003  100.431 67.02719 105.6048 
1 1 1   18    5   14 o  170.215   36.704   60.165   19.823   63.055   20.798   31.479   65.520  175.841   31.463  164.588   66.322 11.25307 73.40709 
1 1 1   18    5   15 o  480.181   31.235  457.762   58.530  457.762   58.530   0.0000   0.0000  480.181   31.235  ?   ?       ?      ? 
1 1 1   18    5   16 o  653.299   37.903  857.160   96.630  857.160   96.630   0.0000   0.0000  653.299   37.903  ?   ?       ?      ? 
1 1 1   18    5   20 o  149.491   61.894   25.952   58.990   25.952   58.990   0.0000   0.0000  149.491   61.894  ?   ?       ?      ? 
1 1 1   18    5   23 o  160.945   62.955   47.500   57.370   47.500   57.370   0.0000   0.0000  160.945   62.955  ?   ?       ?      ? 
1 1 1   18    5   24 o  180.187   59.996   74.265   49.384   74.265   49.384   0.0000   0.0000  180.187   59.996  ?   ?       ?      ? 
1 1 1   18    5   25 o  343.801   48.201  259.121   64.668  259.121   64.668   0.0000   0.0000  343.801   48.201  ?   ?       ?      ? 
1 1 1   18    5   26 f  108.780   44.791   13.928   30.661   13.928   30.661   0.0000   0.0000  108.780   44.791  ?   ?       ?      ? 
1 1 1   18    5   27 o  149.268   51.475   50.565   36.380   50.565   36.380   0.0000   0.0000  149.268   51.475  ?   ?       ?      ? 
1 1 1   18    5   28 o  119.761   49.452   19.879   37.510   19.879   37.510   0.0000   0.0000  119.761   49.452  ?   ?       ?      ? 
1 1 1   18    5   29 o  179.981   56.809   80.509   44.616   80.509   44.616   0.0000   0.0000  179.981   56.809  ?   ?       ?      ? 
1 1 1   18    5   30 f   85.683   40.108 -23.1753   33.533 -23.1753   33.533   0.0000   0.0000   85.683   40.108  ?   ?       ?      ? 
1 1 1   18    6    0 o  225.459   22.040   92.477   17.146   84.563   19.679  117.421   34.936  207.480   24.305  243.438   36.775 -35.95750 44.08038 
1 1 1   18    6    1 o  225.975   26.565   99.007   18.416   96.264   20.573  110.065   41.309  221.399   23.812  230.552   47.495 -9.153244 53.12938 
1 1 1   18    6    2 o  628.236   27.928  777.020   68.468  777.020   68.468   0.0000   0.0000  628.236   27.928  ?   ?       ?      ? 
1 1 1   18    6    3 o  221.106   25.661   96.486   17.607   94.977   19.807  102.167   38.441  219.948   23.077  222.265   45.842 -2.316711 51.32245 
1 1 1   18    6    4 o  350.914   20.274  225.277   24.549  207.606   28.208  280.441   49.840  325.247   22.225  376.581   33.915 -51.33304 40.54793 
1 1 1   18    6    5 o  337.756   21.910  214.552   25.961  202.055   30.241  249.560   50.615  320.687   24.165  354.825   36.554 -34.13803 43.81925 
1 1 1   18    6    6 o  588.078   23.151  595.189   46.810  511.025   53.238  881.946   98.268  509.564   26.772  666.592   37.776 -157.0282 46.30146 
1 1 1   18    6    7 o  505.336   41.684  414.939   43.379  398.596   44.801  660.357  173.608  450.183   25.501  560.489   79.373 -110.3056 83.36880 
1 1 1   18    6    8 o  269.196   27.884  158.433   22.043  166.945   24.841  126.910   47.805  291.641   21.827  246.751   51.318 44.88998 55.76711 
1 1 1   18    6    9 o  305.112   83.249  204.341  101.880   0.0000   0.0000  204.341  101.880  ?   ?   305.112   83.249      ?      ? 
1 1 1   18    6   10 o  450.413   52.496  508.656   61.813  548.479   68.019  319.785  148.131  526.433   33.109  374.393   99.635 152.0401 104.9921 
1 1 1   18    6   11 o  322.572   45.776  215.033   39.913  213.879   42.981  222.257  107.564  328.583   33.520  316.561   85.194 12.02130 91.55148 
1 1 1   18    6   12 o  511.265  109.184  611.688  211.217   0.0000   0.0000  611.688  211.217  ?   ?   511.265  109.184      ?      ? 
1 1 1   18    6   13 o  216.096   34.983  127.409   28.906  157.393   32.384   9.8916   64.113  282.132   29.414  150.059   63.483 132.0724 69.96588 
1 1 1   18    6   14 o  646.037   36.103  832.490   91.020  832.490   91.020   0.0000   0.0000  646.037   36.103  ?   ?       ?      ? 
1 1 1   18    6   15 o  189.469   49.680   66.906   49.815   93.246   56.545 -24.4146  105.286  208.952   63.628  169.986   76.315 38.96603 99.36019 
1 1 1   18    6   16 o  226.866   55.348   92.697   40.632   89.601   42.563  124.512  136.443  204.354   52.945  249.378   97.214 -45.02451 110.6965 
1 1 1   18    6   17 o  175.454   58.191   10.646   12.004   10.107   12.027  153.940  196.047   79.635   29.356  271.272  112.618 -191.6363 116.3813 
1 1 1   18    6   18 o  225.981   27.093  101.733   23.893  101.733   23.893   0.0000   0.0000  225.981   27.093  ?   ?       ?      ? 
1 1 1   18    6   20 o  248.042   84.033  154.535   96.875  154.535   96.875   0.0000   0.0000  248.042   84.033  ?   ?       ?      ? 
1 1 1   18    6   22 o  321.430   99.125  299.651  136.708  299.651  136.708   0.0000   0.0000  321.430   99.125  ?   ?       ?      ? 
1 1 1   18    6   23 f  145.535   61.408   22.887   59.738   22.887   59.738   0.0000   0.0000  145.535   61.408  ?   ?       ?      ? 
1 1 1   18    6   24 f   73.222   34.712 -28.3400   26.583 -28.3400   26.583   0.0000   0.0000   73.222   34.712  ?   ?       ?      ? 
1 1 1   18    6   25 o  249.874   66.271  157.203   65.679  157.203   65.679   0.0000   0.0000  249.874   66.271  ?   ?       ?      ? 
1 1 1   18    6   26 o  165.206   55.956   64.206   42.954   64.206   42.954   0.0000   0.0000  165.206   55.956  ?   ?       ?      ? 
1 1 1   18    6   27 o  167.287   57.836   67.494   45.942   67.494   45.942   0.0000   0.0000  167.287   57.836  ?   ?       ?      ? 
1 1 1   18    6   28 o  215.408   56.809  114.840   48.439  114.840   48.439   0.0000   0.0000  215.408   56.809  ?   ?       ?      ? 
1 1 1   18    6   29 o  116.679   52.802  -4.8927   51.575  -4.8927   51.575   0.0000   0.0000  116.679   52.802  ?   ?       ?      ? 
1 1 1   18    6   30 o  121.608   54.607   2.8716   53.937   2.8716   53.937   0.0000   0.0000  121.608   54.607  ?   ?       ?      ? 
1 1 1   18    7    0 o  273.756   26.358  142.673   26.709  131.021   32.393  167.415   47.203  257.557   32.229  289.954   41.716 -32.39767 52.71602 
1 1 1   18    7    1 o  623.818   24.066  732.036   53.840  679.368   63.540  866.111  101.380  587.405   27.719  660.232   39.348 -72.82654 48.13124 
1 1 1   18    7    2 o  605.238   25.194  704.329   53.624  677.957   62.841  774.971  102.851  586.836   27.441  623.640   42.261 -36.80359 50.38845 
1 1 1   18    7    3 o  248.799   21.796  121.468   21.162  121.468   21.162   0.0000   0.0000  248.799   21.796  ?   ?       ?      ? 
1 1 1   18    7    4 o  463.991   24.238  448.418   40.587  496.772   50.512  360.319   68.180  502.568   25.755  425.414   41.069 77.15308 48.47686 
1 1 1   18    7    5 o  310.234   20.544  141.620   20.492  111.027   22.509  289.733   49.527  237.688   24.267  382.781   33.156 -145.0927 41.08782 
1 1 1   18    7    6 o  753.272   43.471  1133.05  127.786   0.0000   0.0000  1133.05  127.786  ?   ?   753.272   43.471      ?      ? 
1 1 1   18    7    7 o  324.399   39.224  296.958   41.384  398.065   49.765   70.286   74.512  449.409   28.376  199.389   73.135 250.0201 78.44728 
1 1 1   18    7    8 o   93.339   28.028   1.4835   17.525   4.8618   22.329  -3.9367   28.282   92.067   38.096   94.610   41.121 -2.543747 56.05600 
1 1 1   18    7    9 o  609.158   61.057  979.112  102.862  1129.80  118.296  512.016  208.272  752.995   40.257  465.320  115.287 287.6745 122.1140 
1 1 1   18    7   10 o  561.536   58.618  630.709   76.742  617.414   81.127  743.832  236.643  557.283   37.304  565.789  111.143 -8.506592 117.2367 
1 1 1   18    7   11 o  638.201   63.689  828.306   91.818  811.997   96.759  975.878  291.049  638.269   38.847  638.133  121.310 0.1357422 127.3777 
1 1 1   18    7   12 o  349.423   47.910  303.432   47.241  327.209   52.019  191.547  112.840  406.186   32.817  292.660   90.025 113.5252 95.81988 
1 1 1   18    7   13 o  440.672   81.802  430.320  135.493  430.320  135.493   0.0000   0.0000  440.672   81.802  ?   ?       ?      ? 
1 1 1   18    7   14 o  603.652   36.125  728.262   85.099  728.262   85.099   0.0000   0.0000  603.652   36.125  ?   ?       ?      ? 
1 1 1   18    7   15 o  229.448   50.378   93.525   32.523   89.616   33.922  138.005  114.423  206.703   43.434  252.193   90.914 -45.49001 100.7561 
1 1 1   18    7   16 o  170.417   62.894   53.278   55.231   53.278   55.231   0.0000   0.0000  170.417   62.894  ?   ?       ?      ? 
1 1 1   18    7   17 o  145.002   50.851  -2.6517   27.740   0.2492   28.004 -154.5322  202.628   96.388   41.401  193.616   92.893 -97.22800 101.7012 
1 1 1   18    7   18 o  212.562   34.538   91.401   28.649   91.401   28.649   0.0000   0.0000  212.562   34.538  ?   ?       ?      ? 
1 1 1   18    7   19 o  344.414   35.690  241.677   47.968  241.677   47.968   0.0000   0.0000  344.414   35.690  ?   ?       ?      ? 
1 1 1   18    7   20 o  215.430   21.376   92.129   17.970   92.129   17.970   0.0000   0.0000  215.430   21.376  ?   ?       ?      ? 
1 1 1   18    7   24 o  118.827   56.135 -49.2295   68.386 -49.2295   68.386   0.0000   0.0000  118.827   56.135  ?   ?       ?      ? 
1 1 1   18    7   25 o  180.788   74.197   73.104   83.794   73.104   83.794   0.0000   0.0000  180.788   74.197  ?   ?       ?      ? 
1 1 1   18    7   26 o  220.059   67.056  127.904   62.786  127.904   62.786   0.0000   0.0000  220.059   67.056  ?   ?       ?      ? 
1 1 1   18    7   27 o  206.464   67.015  113.978   61.760  113.978   61.760   0.0000   0.0000  206.464   67.015  ?   ?       ?      ? 
1 1 1   18    7   28 o  233.838   64.236  143.135   60.417  143.135   60.417   0.0000   0.0000  233.838   64.236  ?   ?       ?      ? 
1 1 1   18    7   29 o  220.690   58.473  123.554   51.164  123.554   51.164   0.0000   0.0000  220.690   58.473  ?   ?       ?      ? 
1 1 1   18    8    0 o  503.038   23.904  501.194   43.190  502.116   51.856  499.104   78.037  505.158   26.305  500.918   39.921 4.240143 47.80852 
1 1 1   18    8    1 o  430.615   24.745  295.808   37.307  193.073   43.208  596.762   73.953  312.177   35.468  549.053   34.515 -236.8762 49.49023 
1 1 1   18    8    2 o  161.302   26.783   68.281   16.615   84.480   18.624   5.1023   36.781  207.406   23.010  115.198   48.373 92.20815 53.56677 
1 1 1   18    8    3 o  758.137   26.578  1105.95   72.690  1052.47   86.584  1233.65  133.789  730.294   30.381  785.980   43.619 -55.68652 53.15688 
1 1 1   18    8    4 o  345.322   38.206  236.898   51.486  236.898   51.486   0.0000   0.0000  345.322   38.206  ?   ?       ?      ? 
1 1 1   18    8    5 o  453.546   35.202  407.612   62.304  407.612   62.304   0.0000   0.0000  453.546   35.202  ?   ?       ?      ? 
1 1 1   18    8    6 o  582.218   55.862  793.668   87.226  835.359   96.459  606.638  204.305  648.355   38.124  516.080  105.018 132.2747 111.7235 
1 1 1   18    8    7 o  446.074   44.720  310.077   52.638  280.554   55.608  564.503  163.243  375.715   37.927  516.433   81.001 -140.7181 89.44029 
1 1 1   18    8    8 o  309.085   45.731  194.839   41.765  192.220   45.739  207.978  102.439  310.957   37.693  307.214   83.334 3.743744 91.46212 
1 1 1   18    8    9 o  531.268   37.777  561.494   78.319  561.494   78.319   0.0000   0.0000  531.268   37.777  ?   ?       ?      ? 
1 1 1   18    8   10 o  224.156   34.024  124.561   30.387  173.451   37.474   30.700   51.924  295.922   32.451  152.390   59.811 143.5324 68.04706 
1 1 1   18    8   11 o  172.628   38.979   61.678   29.255   70.565   35.115   41.515   52.892  183.605   48.343  161.651   61.158 21.95392 77.95719 
1 1 1   18    8   12 o  405.272   39.152  328.620   61.920  328.620   61.920   0.0000   0.0000  405.272   39.152  ?   ?       ?      ? 
1 1 1   18    8   13 o  436.909   39.255  382.989   66.930  382.989   66.930   0.0000   0.0000  436.909   39.255  ?   ?       ?      ? 
1 1 1   18    8   14 o  189.584   48.523   59.171   35.491   54.369   38.351   87.818   93.665  163.499   52.783  215.669   81.435 -52.16995 97.04503 
1 1 1   18    8   15 o  304.549   59.951  236.005   74.806  271.543   87.780  141.732  142.970  351.260   66.472  257.839   99.789 93.42133 119.9015 
1 1 1   18    8   16 o  333.888   71.313  238.209   90.322  179.418  103.768  421.999  183.471  273.705   86.663  394.071  113.276 -120.3664 142.6252 
1 1 1   18    8   17 o  438.428   71.679  487.226   72.167  484.950   75.076  514.896  261.789  487.434   39.469  389.423  137.818 98.01041 143.3582 
1 1 1   18    8   18 o  158.931   50.994   53.415   35.837   53.415   35.837   0.0000   0.0000  158.931   50.994  ?   ?       ?      ? 
1 1 1   18    8   19 o  174.561   57.080   66.414   44.775   66.414   44.775   0.0000   0.0000  174.561   57.080  ?   ?       ?      ? 
1 1 1   18    8   20 o  121.693   51.500   10.080   42.218   10.080   42.218   0.0000   0.0000  121.693   51.500  ?   ?       ?      ? 
1 1 1   18    8   21 o  838.027   47.572  1498.53  155.575  1498.53  155.575   0.0000   0.0000  838.027   47.572  ?   ?       ?      ? 
1 1 1   18    8   22 o  201.436   29.794   82.266   23.420   82.266   23.420   0.0000   0.0000  201.436   29.794  ?   ?       ?      ? 
1 1 1   18    8   23 o  288.375   30.664  169.656   34.508  169.656   34.508   0.0000   0.0000  288.375   30.664  ?   ?       ?      ? 
1 1 1   18    8   24 o  208.773   30.311   89.376   24.694   89.376   24.694   0.0000   0.0000  208.773   30.311  ?   ?       ?      ? 
1 1 1   18    8   25 o  104.902   47.121  -6.9791   40.199  -6.9791   40.199   0.0000   0.0000  104.902   47.121  ?   ?       ?      ? 
1 1 1   18    8   26 o  114.340   49.269   9.2817   39.903   9.2817   39.903   0.0000   0.0000  114.340   49.269  ?   ?       ?      ? 
1 1 1   18    8   27 f  123.516   52.986   15.108   45.768   15.108   45.768   0.0000   0.0000  123.516   52.986  ?   ?       ?      ? 
1 1 1   18    8   29 o   62.394   30.763 -51.6838   26.813 -51.6838   26.813   0.0000   0.0000   62.394   30.763  ?   ?       ?      ? 
1 1 1   18    9    0 o  768.176   27.027  1149.58   75.245  1112.07   90.278  1234.92  136.175  750.478   30.826  785.874   44.403 -35.39600 54.05423 
1 1 1   18    9    1 o  606.221   25.454  732.539   55.731  738.999   67.342  718.499   99.280  612.367   28.180  600.074   42.396 12.29266 50.90714 
1 1 1   18    9    2 o  366.216   45.597  268.552   65.163   0.0000   0.0000  268.552   65.163  ?   ?   366.216   45.597      ?      ? 
1 1 1   18    9    3 o  1088.06   94.941  2257.41  194.913  2175.89  200.771  3593.53  812.813  1039.97   49.471  1136.15  183.325 -96.18030 189.8825 
1 1 1   18    9    4 f  371.577   47.829  271.506   50.679  262.395   55.286  319.431  126.800  363.192   39.008  379.962   87.344 -16.77060 95.65871 
1 1 1   18    9    5 o  349.700   45.351  262.203   47.589  266.707   53.128  243.922  107.041  366.448   37.152  332.952   82.745 33.49643 90.70254 
1 1 1   18    9    6 o  783.003   42.895  1225.35  131.071  1225.35  131.071   0.0000   0.0000  783.003   42.895  ?   ?       ?      ? 
1 1 1   18    9    7 o  197.776   47.606   81.691   36.299   81.691   36.299   0.0000   0.0000  197.776   47.606  ?   ?       ?      ? 
1 1 1   18    9    8 f  887.841   45.401  1582.55  157.300  1582.55  157.300   0.0000   0.0000  887.841   45.401  ?   ?       ?      ? 
1 1 1   18    9    9 o  719.194   42.164  1035.58  118.337  1035.58  118.337   0.0000   0.0000  719.194   42.164  ?   ?       ?      ? 
1 1 1   18    9   10 o  534.486   41.294  572.237   86.131  572.237   86.131   0.0000   0.0000  534.486   41.294  ?   ?       ?      ? 
1 1 1   18    9   11 o  217.973   47.654  102.158   43.185  109.943   51.464   83.631   79.396  226.815   57.935  209.131   75.678 17.68474 95.30820 
1 1 1   18    9   12 o  139.510   40.562   15.837   36.221   34.679   45.243 -17.7944   60.445  148.629   56.483  130.392   58.231 18.23741 81.12419 
1 1 1   18    9   13 o  514.935   43.756  537.728   87.927  537.728   87.927   0.0000   0.0000  514.935   43.756  ?   ?       ?      ? 
1 1 1   18    9   14 o  263.681   57.743  151.516   54.447  150.736   59.207  155.795  138.600  263.100   59.108  264.261   99.213 -1.160614 115.4861 
1 1 1   18    9   15 o  352.085   56.449  240.863   54.109  224.652   57.669  360.151  156.436  330.952   44.652  373.218  103.693 -42.26657 112.8986 
1 1 1   18    9   16 f  200.096   58.274   45.471   37.141   40.385   38.125  140.179  164.525  146.333   52.508  253.858  104.051 -107.5247 116.5489 
1 1 1   18    9   17 o  191.658   55.979   65.986   48.037   77.286   49.203 -164.0478  221.992  187.646   59.703  195.671   94.710 -8.024857 111.9576 
1 1 1   18    9   18 o  144.105   56.583   32.889   46.489   32.889   46.489   0.0000   0.0000  144.105   56.583  ?   ?       ?      ? 
1 1 1   18    9   19 o  212.950   67.934  106.576   63.672  106.576   63.672   0.0000   0.0000  212.950   67.934  ?   ?       ?      ? 
1 1 1   18    9   20 o  159.181   57.487   51.748   45.781   51.748   45.781   0.0000   0.0000  159.181   57.487  ?   ?       ?      ? 
1 1 1   18    9   21 o  216.553   71.673  113.980   70.517  113.980   70.517   0.0000   0.0000  216.553   71.673  ?   ?       ?      ? 
1 1 1   18    9   22 o  241.383   93.883  164.937  127.028  164.937  127.028   0.0000   0.0000  241.383   93.883  ?   ?       ?      ? 
1 1 1   18    9   23 o  225.503   29.846  103.827   26.265  103.827   26.265   0.0000   0.0000  225.503   29.846  ?   ?       ?      ? 
1 1 1   18    9   24 o  188.078   29.968   72.724   21.996   72.724   21.996   0.0000   0.0000  188.078   29.968  ?   ?       ?      ? 
1 1 1   18    9   26 f  214.381   73.396  130.035   73.910  130.035   73.910   0.0000   0.0000  214.381   73.396  ?   ?       ?      ? 
1 1 1   18    9   27 o  113.519   53.398 -33.3290   60.682 -33.3290   60.682   0.0000   0.0000  113.519   53.398  ?   ?       ?      ? 
1 1 1   18    9   28 o  149.995   62.368   43.562   60.262   43.562   60.262   0.0000   0.0000  149.995   62.368  ?   ?       ?      ? 
1 1 1   18   10    0 o  326.736   33.310  212.144   42.127  198.088   55.487  231.272   64.728  314.452   45.217  339.020   48.926 -24.56729 66.62078 
1 1 1   18   10    1 o  444.825   53.468  412.396   66.581  408.313   72.826  433.186  164.333  452.443   41.247  437.207   98.661 15.23636 106.9362 
1 1 1   18   10    2 o  341.151   46.429  221.039   46.719  208.635   51.145  283.539  114.804  323.522   40.511  358.780   83.554 -35.25818 92.85700 
1 1 1   18   10    3 o  553.791  119.663  728.924  251.057  728.924  251.057   0.0000   0.0000  553.791  119.663  ?   ?       ?      ? 
1 1 1   18   10    4 o  347.490   45.236  302.429   50.066  354.375   58.540  160.955   96.609  422.598   35.497  272.382   83.218 150.2162 90.47272 
1 1 1   18   10    5 o  290.695   47.151  166.708   44.938  155.737   50.612  207.576   97.683  274.250   49.093  307.141   80.516 -32.89108 94.30252 
1 1 1   18   10    6 o  149.303   39.573   34.392   30.800   28.023   40.153   43.497   48.009  138.741   53.094  159.866   58.695 -21.12486 79.14561 
1 1 1   18   10    7 o  481.553   42.437  464.361   79.749  464.361   79.749   0.0000   0.0000  481.553   42.437  ?   ?       ?      ? 
1 1 1   18   10    8 o  404.836   52.506  338.909   62.671  331.394   69.174  373.329  148.047  406.250   43.633  403.421   95.517 2.829132 105.0113 
1 1 1   18   10    9 o  768.822   44.845  1190.92  134.547  1190.92  134.547   0.0000   0.0000  768.822   44.845  ?   ?       ?      ? 
1 1 1   18   10   10 o  247.089   59.633  131.161   56.844  131.161   56.844   0.0000   0.0000  247.089   59.633  ?   ?       ?      ? 
1 1 1   18   10   11 o  433.571   45.896  381.499   77.654  381.499   77.654   0.0000   0.0000  433.571   45.896  ?   ?       ?      ? 
1 1 1   18   10   12 o  356.622   52.712  262.588   73.358  262.588   73.358   0.0000   0.0000  356.622   52.712  ?   ?       ?      ? 
1 1 1   18   10   13 o  297.416   58.011  207.096   63.959  211.481   73.271  193.059  131.092  311.004   62.540  283.828   97.722 27.17697 116.0212 
1 1 1   18   10   14 o  260.062   46.960  183.909   62.990  261.538   70.757 -112.6220  138.290  354.350   51.169  165.775   78.757 188.5748 93.91978 
1 1 1   18   10   15 o  298.323  110.564  241.019  171.040   0.0000   0.0000  241.019  171.040  ?   ?   298.323  110.564      ?      ? 
1 1 1   18   10   16 o  197.301   57.239   65.221   44.647   68.118   46.015   18.662  184.472  177.835   57.851  216.767   98.785 -38.93198 114.4784 
1 1 1   18   10   17 o  227.334   69.332   6.0189   44.398  -8.9384   45.206  413.046  235.823  113.635   50.581  341.033  129.109 -227.3975 138.6632 
1 1 1   18   10   18 o  149.933   57.771   39.469   47.753   39.469   47.753   0.0000   0.0000  149.933   57.771  ?   ?       ?      ? 
1 1 1   18   10   19 o  117.430   51.225   0.5512   44.227   0.5512   44.227   0.0000   0.0000  117.430   51.225  ?   ?       ?      ? 
1 1 1   18   10   20 o  140.461   56.694   28.571   47.963   28.571   47.963   0.0000   0.0000  140.461   56.694  ?   ?       ?      ? 
1 1 1   18   10   21 o  210.016   71.153  107.380   69.455  107.380   69.455   0.0000   0.0000  210.016   71.153  ?   ?       ?      ? 
1 1 1   18   10   22 o  150.907   61.227   37.501   56.254   37.501   56.254   0.0000   0.0000  150.907   61.227  ?   ?       ?      ? 
1 1 1   18   10   23 o  133.133   54.642   25.741   45.450   25.741   45.450   0.0000   0.0000  133.133   54.642  ?   ?       ?      ? 
1 1 1   18   10   24 o  175.206   31.620   65.292   20.824   65.292   20.824   0.0000   0.0000  175.206   31.620  ?   ?       ?      ? 
1 1 1   18   10   25 o  498.667   35.549  527.003   69.178  527.003   69.178   0.0000   0.0000  498.667   35.549  ?   ?       ?      ? 
1 1 1   18   10   26 o  192.133   31.242   76.937   23.425   76.937   23.425   0.0000   0.0000  192.133   31.242  ?   ?       ?      ? 
1 1 1   18   10   27 o  133.741   34.170   39.214   17.899   39.214   17.899   0.0000   0.0000  133.741   34.170  ?   ?       ?      ? 
1 1 1   18   10   28 o  440.254   34.913  413.885   59.982  413.885   59.982   0.0000   0.0000  440.254   34.913  ?   ?       ?      ? 
1 1 1   18   11    0 f  269.154   47.110  146.219   42.726  139.462   48.259  170.727   91.902  258.989   49.554  279.319   80.136 -20.32977 94.22029 
1 1 1   18   11    1 o  237.531   35.225  133.999   35.283  211.552   45.833   21.178   55.280  326.324   35.991  148.737   60.564 177.5871 70.45074 
1 1 1   18   11    2 o  929.085   51.499  1747.40  186.717  1747.40  186.717   0.0000   0.0000  929.085   51.499  ?   ?       ?      ? 
1 1 1   18   11    3 o  839.787   72.572  1311.92  141.046  1248.72  147.649  1971.52  476.990  787.074   48.071  892.500  136.952 -105.4264 145.1439 
1 1 1   18   11    4 o  478.228   50.589  316.434   67.901  258.533   72.032  778.277  203.436  357.110   51.688  599.345   86.980 -242.2351 101.1788 
1 1 1   18   11    5 o  599.472   87.377  873.172  197.402  967.828  289.591  791.015  269.795  632.334  121.774  566.610  125.339 65.72400 174.7536 
1 1 1   18   11    6 o  323.489   48.314  230.324   53.610  239.628   62.586  204.683  103.896  344.689   46.528  302.289   84.689 42.40030 96.62868 
1 1 1   18   11    7 o  558.022   46.045  628.557  100.268  628.557  100.268   0.0000   0.0000  558.022   46.045  ?   ?       ?      ? 
1 1 1   18   11    8 o  309.090   44.778  226.131   52.225  301.300   67.410  113.284   82.595  386.352   44.711  231.827   77.597 154.5245 89.55645 
1 1 1   18   11    9 o  883.721   50.275  1595.10  173.380  1595.10  173.380   0.0000   0.0000  883.721   50.275  ?   ?       ?      ? 
1 1 1   18   11   10 o  274.446   58.102  154.173   62.273  125.965   73.605  225.217  116.812  239.190   72.541  309.703   90.782 -70.51317 116.2044 
1 1 1   18   11   11 o  334.895   66.724  246.406   84.140  246.406   84.140   0.0000   0.0000  334.895   66.724  ?   ?       ?      ? 
1 1 1   18   11   12 o  180.187   48.111   55.684   43.341   49.707   51.905   69.450   78.771  165.278   60.976  195.095   74.435 -29.81757 96.22208 
1 1 1   18   11   13 o  174.051   48.873   45.260   42.944   42.667   48.543   54.598   92.109  156.256   58.705  191.846   78.154 -35.59018 97.74599 
1 1 1   18   11   14 o  436.054   66.149  418.574  112.564  418.574  112.564   0.0000   0.0000  436.054   66.149  ?   ?       ?      ? 
1 1 1   18   11   15 o  291.221   59.104  189.012   64.875  189.012   64.875   0.0000   0.0000  291.221   59.104  ?   ?       ?      ? 
1 1 1   18   11   16 o  168.585   59.818   58.664   49.348   58.664   49.348   0.0000   0.0000  168.585   59.818  ?   ?       ?      ? 
1 1 1   18   11   17 o  328.677   82.752  274.206  106.071  274.206  106.071   0.0000   0.0000  328.677   82.752  ?   ?       ?      ? 
1 1 1   18   11   18 o  187.333   74.021   69.728   80.028   69.728   80.028   0.0000   0.0000  187.333   74.021  ?   ?       ?      ? 
1 1 1   18   11   19 o  249.811   86.200  165.492  102.027  165.492  102.027   0.0000   0.0000  249.811   86.200  ?   ?       ?      ? 
1 1 1   18   11   20 o  307.290   96.744  277.118  129.462  277.118  129.462   0.0000   0.0000  307.290   96.744  ?   ?       ?      ? 
1 1 1   18   11   22 o  160.055   63.740   50.059   59.771   50.059   59.771   0.0000   0.0000  160.055   63.740  ?   ?       ?      ? 
1 1 1   18   11   23 o  155.938   60.332   51.496   52.248   51.496   52.248   0.0000   0.0000  155.938   60.332  ?   ?       ?      ? 
1 1 1   18   11   24 o  193.165   67.488   97.990   62.633   97.990   62.633   0.0000   0.0000  193.165   67.488  ?   ?       ?      ? 
1 1 1   18   11   25 o  161.713   32.393   56.322   19.730   56.322   19.730   0.0000   0.0000  161.713   32.393  ?   ?       ?      ? 
1 1 1   18   11   26 o  126.464   32.998   34.829   16.457   34.829   16.457   0.0000   0.0000  126.464   32.998  ?   ?       ?      ? 
1 1 1   18   11   27 o  220.284   31.780  101.875   27.319  101.875   27.319   0.0000   0.0000  220.284   31.780  ?   ?       ?      ? 
1 1 1   18   12    0 o  170.193   44.402   49.723   38.084   49.783   48.103   49.621   62.342  165.329   59.016  175.057   66.356 -9.727463 88.80312 
1 1 1   18   12    1 o  303.875   53.603  158.714   53.785  123.858   59.885  304.121  122.312  240.225   63.075  367.525   86.686 -127.2996 107.2055 
1 1 1   18   12    2 o  307.534   48.215  210.993   51.155  222.238   59.288  178.234  101.196  332.056   45.754  283.012   84.884 49.04388 96.43008 
1 1 1   18   12    3 o  444.875   50.045  288.134   66.668  228.493   71.688  669.775  181.343  334.203   54.967  555.547   83.647 -221.3434 100.0907 
1 1 1   18   12    4 o  457.390   46.467  422.715   82.940  422.715   82.940   0.0000   0.0000  457.390   46.467  ?   ?       ?      ? 
1 1 1   18   12    5 o  487.778   53.397  486.823  101.641  486.823  101.641   0.0000   0.0000  487.778   53.397  ?   ?       ?      ? 
1 1 1   18   12    7 o  674.169  146.895  1261.87  375.538   0.0000   0.0000  1261.87  375.538  ?   ?   674.169  146.895      ?      ? 
1 1 1   18   12    8 o  186.985   40.674   55.060   36.868  133.017   58.182   2.7588   47.656  247.498   60.702  126.471   54.156 121.0272 81.34878 
1 1 1   18   12    9 f  210.572   47.145   93.646   44.943  125.613   63.189   60.919   63.936  238.763   65.736  182.381   67.597 56.38210 94.28993 
1 1 1   18   12   10 o  168.651   46.362   45.071   43.884   51.673   60.699   37.843   63.519  172.673   65.470  164.629   65.661 8.044968 92.72411 
1 1 1   18   12   11 o  179.087   49.632   42.448   49.192   17.355   60.951   89.332   83.313  148.536   62.316  209.639   77.268 -61.10307 99.26493 
1 1 1   18   12   12 o  137.378   41.554   7.7038   39.764   26.946   48.608 -31.2233   69.137  143.102   57.314  131.654   60.183 11.44852 83.10768 
1 1 1   18   12   13 o  207.136   56.567   83.748   57.990   84.676   65.634   80.444  123.820  198.200   69.095  216.072   89.584 -17.87166 113.1344 
1 1 1   18   12   14 o  326.796   67.388  277.738   82.476  275.059   92.457  288.177  182.488  343.369   71.331  310.223  114.354 33.14603 134.7768 
1 1 1   18   12   15 o  223.549   60.688  113.349   63.461  122.557   67.595   44.894  184.300  227.936   69.603  219.162   99.436 8.773926 121.3761 
1 1 1   18   12   16 o  260.600   75.074  105.108   86.102   57.178   92.444  418.896  236.535  186.438   77.361  334.762  128.684 -148.3243 150.1477 
1 1 1   18   12   17 f  150.321   52.955 -20.5140   42.338 -16.7138   43.128 -121.4458  222.264  105.946   48.081  194.696   94.367 -88.75051 105.9100 
1 1 1   18   12   18 o  124.276   53.701   5.6355   47.676   5.6355   47.676   0.0000   0.0000  124.276   53.701  ?   ?       ?      ? 
1 1 1   18   12   19 o  167.956   64.547   56.101   59.501   56.101   59.501   0.0000   0.0000  167.956   64.547  ?   ?       ?      ? 
1 1 1   18   12   20 o   85.645   40.262 -30.1563   34.408 -30.1563   34.408   0.0000   0.0000   85.645   40.262  ?   ?       ?      ? 
1 1 1   18   12   22 o  209.840   74.433  119.286   76.402  119.286   76.402   0.0000   0.0000  209.840   74.433  ?   ?       ?      ? 
1 1 1   18   12   24 o  190.399   75.378   98.377   83.137   98.377   83.137   0.0000   0.0000  190.399   75.378  ?   ?       ?      ? 
1 1 1   18   12   25 o  298.752  108.249  380.972  162.520  380.972  162.520   0.0000   0.0000  298.752  108.249  ?   ?       ?      ? 
1 1 1   18   12   26 o   91.722   44.011 -47.1915   45.511 -47.1915   45.511   0.0000   0.0000   91.722   44.011  ?   ?       ?      ? 
1 1 1   18   12   27 o  257.908   97.219  273.711  133.349  273.711  133.349   0.0000   0.0000  257.908   97.219  ?   ?       ?      ? 
1 1 1   18   13    0 o  192.338   48.166   63.441   44.446   40.177   55.550  104.832   74.095  161.842   62.323  222.833   73.456 -60.99123 96.33202 
1 1 1   18   13    1 o  158.482   43.314   37.168   38.303   47.204   53.216   26.379   55.175  165.783   61.626  151.180   60.882 14.60345 86.62772 
1 1 1   18   13    2 o  172.922   45.062   51.361   41.047   71.699   56.476   28.586   59.763  189.008   64.161  156.837   63.291 32.17094 90.12426 
1 1 1   18   13    3 o  405.149   52.352  407.548   70.832  480.880   85.378  245.616  126.871  487.305   44.896  322.992   94.590 164.3123 104.7045 
1 1 1   18   13    4 o  191.098   48.657   64.612   46.535   40.841   60.905   97.953   72.132  166.110   64.896  216.087   72.515 -49.97688 97.31309 
1 1 1   18   13    5 o  331.994   53.080  246.447   63.944  251.972   76.572  233.716  116.238  348.415   56.317  315.573   89.990 32.84189 106.1597 
1 1 1   18   13    6 o  130.781   38.129   7.3968   28.868   38.219   54.738  -4.4790   33.977  158.795   61.665  102.768   44.862 56.02779 76.25731 
1 1 1   18   13    7 o  509.949   65.988  558.826  101.074  526.252  111.901  703.136  235.530  501.473   57.182  518.424  118.946 -16.95142 131.9767 
1 1 1   18   13    8 o  155.228   45.128   27.496   41.834   7.7533   77.343   35.661   49.738  158.443   68.432  152.013   58.851 6.429367 90.25697 
1 1 1   18   13    9 o  156.658   61.619   36.552   55.221   0.0000   0.0000   36.552   55.221  ?   ?   156.658   61.619      ?      ? 
1 1 1   18   13   10 o  168.770   50.519   0.8849   44.836  100.102  108.660 -19.4739   49.221  223.256   86.831  114.283   51.663 108.9733 101.0376 
1 1 1   18   13   11 o  212.835   55.279   41.418   65.726  207.407  112.893 -43.6920   80.839  287.721   90.302  137.949   63.787 149.7719 110.5587 
1 1 1   18   13   12 o  166.033   51.489   3.7577   66.023 -56.4961  104.318   44.022   85.276  152.777   71.260  179.289   74.340 -26.51183 102.9780 
1 1 1   18   13   13 o  195.575   57.558   62.358   64.194   64.839   72.416   53.252  138.709  183.824   71.054  207.326   90.571 -23.50134 115.1165 
1 1 1   18   13   14 f  230.380   62.005  128.328   74.714  142.590   85.676   83.046  152.660  240.600   78.972  220.159   95.613 20.44121 124.0097 
1 1 1   18   13   15 o  290.053   79.000  261.570  123.129  254.218  149.564  277.033  216.902  292.445  104.098  287.660  118.859 4.785248 157.9997 
1 1 1   18   13   16 o  183.477   58.481   40.033   54.828   45.180   56.595 -38.5653  221.155  159.439   62.484  207.514   98.873 -48.07510 116.9618 
1 1 1   18   13   17 o  187.754   57.102   52.296   57.261   50.814   61.444   62.087  157.902  165.766   65.063  209.741   93.860 -43.97482 114.2050 
1 1 1   18   13   18 o  145.416   59.947   28.607   55.002   28.607   55.002   0.0000   0.0000  145.416   59.947  ?   ?       ?      ? 
1 1 1   18   13   19 o  175.003   66.735   65.470   63.297   65.470   63.297   0.0000   0.0000  175.003   66.735  ?   ?       ?      ? 
1 1 1   18   13   20 o  306.751   90.400  278.297  115.558  278.297  115.558   0.0000   0.0000  306.751   90.400  ?   ?       ?      ? 
1 1 1   18   13   21 o  289.640   99.759  292.348  136.619  292.348  136.619   0.0000   0.0000  289.640   99.759  ?   ?       ?      ? 
1 1 1   18   13   22 o  185.909   88.506   31.102  176.443   31.102  176.443   0.0000   0.0000  185.909   88.506  ?   ?       ?      ? 
1 1 1   18   13   23 o  200.067   94.828  102.886  198.221  102.886  198.221   0.0000   0.0000  200.067   94.828  ?   ?       ?      ? 
1 1 1   18   13   24 o  157.707   67.446   44.831   73.747   44.831   73.747   0.0000   0.0000  157.707   67.446  ?   ?       ?      ? 
1 1 1   18   13   25 o  170.742   69.452   70.301   72.602   70.301   72.602   0.0000   0.0000  170.742   69.452  ?   ?       ?      ? 
1 1 1   18   13   26 o  162.583   75.361   28.930  113.852   28.930  113.852   0.0000   0.0000  162.583   75.361  ?   ?       ?      ? 
1 1 1   18   14    0 o  264.166   55.672  148.603   58.424  128.131   70.529  193.372  104.295  240.298   70.570  288.033   86.126 -47.73552 111.3448 
1 1 1   18   14    1 o  402.628   57.478  338.892   90.310  338.892   90.310   0.0000   0.0000  402.628   57.478  ?   ?       ?      ? 
1 1 1   18   14    2 o  140.371   41.410   14.575   37.562   18.097   56.198   11.731   50.499  145.438   60.330  135.304   56.741 10.13333 82.82059 
1 1 1   18   14    3 o  313.444   52.155  229.705   61.267  251.141   74.082  183.312  108.984  347.344   54.654  279.545   88.847 67.79834 104.3109 
1 1 1   18   14    4 o  289.440   58.502  184.385   65.226  164.241   78.059  230.992  118.734  269.305   72.617  309.576   91.742 -40.27103 117.0032 
1 1 1   18   14    5 o  471.891   63.774  488.985   94.121  462.853  105.535  590.571  208.080  468.769   57.691  475.013  113.755 -6.244934 127.5474 
1 1 1   18   14    6 o  146.480   41.944   23.098   36.001   39.966   60.175   13.695   44.928  163.025   64.259  129.935   53.925 33.09035 83.88763 
1 1 1   18   14    7 o  272.620   50.990  173.431   58.401  238.445   80.586  101.514   84.756  327.378   65.367  217.861   78.277 109.5170 101.9807 
1 1 1   18   14    8 o  175.757   48.613   51.754   48.540   39.096   73.231   61.673   64.826  170.685   69.627  180.828   67.859 -10.14290 97.22530 
1 1 1   18   14    9 o  221.634   51.278  106.584   54.477  161.645   77.534   52.900   76.560  262.875   72.988  180.392   72.043 82.48323 102.5550 
1 1 1   18   14   10 o  380.907   65.304  386.238   95.661  420.910  115.844  311.916  169.609  433.243   68.519  328.572  111.191 104.6706 130.6073 
1 1 1   18   14   11 o  224.962   59.348  116.626   70.723  136.048   93.043   90.050  108.839  237.407   82.295  212.516   85.535 24.89084 118.6952 
1 1 1   18   14   12 o  379.538  131.161  511.146  236.263  511.146  236.263   0.0000   0.0000  379.538  131.161  ?   ?       ?      ? 
1 1 1   18   14   13 o  277.965   63.735  222.853   90.424  288.492  108.289   71.670  164.345  337.469   82.841  218.461   96.881 119.0082 127.4698 
1 1 1   18   14   14 o  223.021   59.900  123.092   73.377  150.344   83.186   27.538  155.766  245.060   77.594  200.982   91.275 44.07791 119.7994 
1 1 1   18   14   15 o  196.438   60.804   47.545   64.481   37.111   69.301  114.827  175.980  161.770   67.041  231.106  101.460 -69.33643 121.6083 
1 1 1   18   14   16 o  173.873   56.570   2.6142   72.910   1.2622   81.484   8.0433  163.289  151.643   67.674  196.103   90.670 -44.45995 113.1408 
1 1 1   18   14   17 o  160.495   51.242  -1.7145   67.146 -20.1654   87.635   24.516  104.490  146.914   67.379  174.076   77.221 -27.16212 102.4846 
1 1 1   18   14   18 o  116.564   56.128 -80.7217   75.536 -80.7217   75.536   0.0000   0.0000  116.564   56.128  ?   ?       ?      ? 
1 1 1   18   14   19 o  271.418  106.779  272.044  165.856  272.044  165.856   0.0000   0.0000  271.418  106.779  ?   ?       ?      ? 
1 1 1   18   14   20 o  126.824   62.606 -153.0045  112.211 -153.0045  112.211   0.0000   0.0000  126.824   62.606  ?   ?       ?      ? 
1 1 1   18   14   21 o  138.041   66.939 -85.6301  112.185 -85.6301  112.185   0.0000   0.0000  138.041   66.939  ?   ?       ?      ? 
1 1 1   18   14   22 o  200.794   96.529   97.927  221.248   97.927  221.248   0.0000   0.0000  200.794   96.529  ?   ?       ?      ? 
1 1 1   18   14   23 o  195.722   77.539  108.548   88.029  108.548   88.029   0.0000   0.0000  195.722   77.539  ?   ?       ?      ? 
1 1 1   18   14   24 o  248.910   91.223  220.516  115.892  220.516  115.892   0.0000   0.0000  248.910   91.223  ?   ?       ?      ? 
1 1 1   18   14   25 o  153.156   66.780   39.467   75.089   39.467   75.089   0.0000   0.0000  153.156   66.780  ?   ?       ?      ? 
1 1 1   18   15    0 o  198.141   69.103   82.112   65.653   82.112   65.653   0.0000   0.0000  198.141   69.103  ?   ?       ?      ? 
1 1 1   18   15    1 o  183.261   67.455   64.719   63.465   64.719   63.465   0.0000   0.0000  183.261   67.455  ?   ?       ?      ? 
1 1 1   18   15    2 o  367.454   63.069  279.743   77.793  234.796   87.922  441.801  166.947  320.745   72.008  414.162  103.565 -93.41724 126.1387 
1 1 1   18   15    3 o  437.289   64.963  354.244   87.261  283.097   95.645  707.508  213.125  352.701   71.928  521.877  108.200 -169.1761 129.9270 
1 1 1   18   15    4 o  147.376   39.812  -1.7398   31.679   92.493   63.074 -33.5293   36.635  205.593   67.773   89.159   41.795 116.4345 79.62402 
1 1 1   18   15    5 f  218.546   53.601   84.507   60.693   14.187   79.545  182.488   93.896  161.465   69.569  275.626   81.561 -114.1617 107.2012 
1 1 1   18   15    6 o  348.905   62.611  299.058   82.532  291.528  101.730  313.555  141.164  352.595   76.160  345.215   99.399 7.379578 125.2217 
1 1 1   18   15    7 f  146.581   44.347   13.434   44.586  -3.5476   72.959   23.556   56.328  146.501   64.780  146.662   60.583 -0.1614990 88.69458 
1 1 1   18   15    8 o  274.305   63.520  191.288   78.012  183.219  104.341  201.516  117.472  269.707   87.062  278.903   92.517 -9.196747 127.0406 
1 1 1   18   15    9 o  320.551   59.047  274.116   79.006  343.072  101.833  169.847  125.221  384.175   70.524  256.928   94.724 127.2471 118.0939 
1 1 1   18   15   10 o  222.969   56.545  114.243   70.074  175.757   89.345   15.923  112.954  265.531   79.786  180.408   80.147 85.12352 113.0897 
1 1 1   18   15   11 o  257.698   62.709  176.076   79.923  219.232  104.952  116.502  123.310  289.745   86.342  225.651   90.965 64.09381 125.4176 
1 1 1   18   15   12 o  312.227   70.437  295.099  101.301  332.052  123.335  218.485  177.590  354.608   89.206  269.846  109.030 84.76175 140.8734 
1 1 1   18   15   13 o  213.866   61.282   98.973   73.300   99.259   84.352   98.091  148.124  207.238   77.478  220.495   94.969 -13.25714 122.5640 
1 1 1   18   15   14 o  183.618   57.293   37.187   65.094   33.908   71.755   52.430  154.701  161.167   67.614  206.069   92.511 -44.90224 114.5859 
1 1 1   18   15   15 o  173.041   56.887  -0.4566   67.743  -5.0098   73.393   25.744  176.058  142.308   63.815  203.774   94.193 -61.46555 113.7743 
1 1 1   18   15   16 o  163.845   51.282   22.049   62.187   51.908   69.033 -106.4860  143.229  168.698   68.042  158.993   76.743 9.705460 102.5633 
1 1 1   18   15   17 f  185.354   54.701   54.063   58.012   31.054   66.928  123.577  116.333  153.475   64.891  217.232   88.079 -63.75729 109.4016 
1 1 1   18   15   18 o  107.166   49.229 -19.7849   47.038 -19.7849   47.038   0.0000   0.0000  107.166   49.229  ?   ?       ?      ? 
1 1 1   18   15   19 o  165.998   67.362   57.434   68.106   57.434   68.106   0.0000   0.0000  165.998   67.362  ?   ?       ?      ? 
1 1 1   18   15   20 o  251.808   93.293  220.512  121.757  220.512  121.757   0.0000   0.0000  251.808   93.293  ?   ?       ?      ? 
1 1 1   18   15   21 o  130.156   56.325   16.546   52.601   16.546   52.601   0.0000   0.0000  130.156   56.325  ?   ?       ?      ? 
1 1 1   18   15   22 o  210.438   79.816  133.419   90.234  133.419   90.234   0.0000   0.0000  210.438   79.816  ?   ?       ?      ? 
1 1 1   18   15   23 o  181.790   75.670   85.749   88.846   85.749   88.846   0.0000   0.0000  181.790   75.670  ?   ?       ?      ? 
1 1 1   18   15   24 o  234.344   89.457  199.399  113.811  199.399  113.811   0.0000   0.0000  234.344   89.457  ?   ?       ?      ? 
1 1 1   18   16    0 o  150.229   45.069  -1.7971   46.837   60.628   75.015 -41.6796   59.960  183.822   71.965  116.637   54.277 67.18441 90.13831 
1 1 1   18   16    1 o  386.908   58.794  378.543   82.101  410.890   99.299  308.655  145.958  436.290   58.323  337.526  102.104 98.76321 117.5871 
1 1 1   18   16    2 o  198.776   51.805   75.511   55.971  125.397   79.584   26.687   78.732  231.558   76.118  165.994   70.293 65.56422 103.6102 
1 1 1   18   16    3 o  204.512   77.373   87.216   84.660   87.216   84.660   0.0000   0.0000  204.512   77.373  ?   ?       ?      ? 
1 1 1   18   16    4 o  171.070   70.385   40.634   75.641   40.634   75.641   0.0000   0.0000  171.070   70.385  ?   ?       ?      ? 
1 1 1   18   16    5 o  197.038   80.598   67.176   98.467   67.176   98.467   0.0000   0.0000  197.038   80.598  ?   ?       ?      ? 
1 1 1   18   16    6 o  290.958   62.675  214.414   76.796  184.809  100.061  256.850  119.797  269.937   85.061  311.978   92.072 -42.04080 125.3506 
1 1 1   18   16    7 o  307.421   70.224  257.733   94.468  227.828  121.663  303.137  149.913  290.619   94.032  324.223  104.325 -33.60394 140.4486 
1 1 1   18   16    8 o  209.305   56.229   97.840   63.435  103.586   86.567   91.176   93.225  212.477   78.675  206.132   80.356 6.345581 112.4585 
1 1 1   18   16    9 o  239.661   64.216  146.136   82.356  148.891  109.852  142.601  124.446  241.274   88.755  238.048   92.830 3.226089 128.4323 
1 1 1   18   16   10 o  167.941   51.796   22.314   63.810   25.364   86.586   18.688   94.400  167.019   72.271  168.863   74.218 -1.843521 103.5920 
1 1 1   18   16   11 o  377.481   82.909  468.840  140.002  595.482  201.945  351.651  194.262  435.402  116.546  319.560  117.951 115.8425 165.8173 
1 1 1   18   16   12 o  186.502   56.812   50.448   71.825   62.984   84.997   19.142  134.321  184.569   75.120  188.435   85.250 -3.866257 113.6241 
1 1 1   18   16   13 o  303.645  115.752  323.451  190.383   0.0000   0.0000  323.451  190.383  ?   ?   303.645  115.752      ?      ? 
1 1 1   18   16   14 o  221.254   63.841  121.746   84.841  135.395   98.888   83.677  165.148  227.827   84.142  214.682   96.035 13.14510 127.6819 
1 1 1   18   16   15 o  203.994   63.492   75.088   84.069   66.970   94.111  107.152  187.037  186.388   77.757  221.600  100.394 -35.21278 126.9847 
1 1 1   18   16   16 o  210.129   56.690  111.799   77.151  179.676   90.680 -66.1368  146.819  254.846   81.048  165.411   79.285 89.43501 113.3790 
1 1 1   18   16   17 o  182.300   57.681   51.539   84.170   45.251  115.689   58.611  122.688  178.912   80.182  185.689   82.941 -6.777557 115.3618 
1 1 1   18   16   18 o   69.491   34.415 -72.2840   34.897 -72.2840   34.897   0.0000   0.0000   69.491   34.415  ?   ?       ?      ? 
1 1 1   18   16   19 o  134.945   59.443   13.344   60.859   13.344   60.859   0.0000   0.0000  134.945   59.443  ?   ?       ?      ? 
1 1 1   18   16   20 o  255.116   95.298  238.627  127.562  238.627  127.562   0.0000   0.0000  255.116   95.298  ?   ?       ?      ? 
1 1 1   18   16   21 o  180.494   72.200   83.427   77.028   83.427   77.028   0.0000   0.0000  180.494   72.200  ?   ?       ?      ? 
1 1 1   18   16   22 o  169.000   70.912   64.852   78.945   64.852   78.945   0.0000   0.0000  169.000   70.912  ?   ?       ?      ? 
1 1 1   18   16   23 o  140.783   63.887   10.515   76.127   10.515   76.127   0.0000   0.0000  140.783   63.887  ?   ?       ?      ? 
1 1 1   18   17    0 o  308.425  118.170  307.909  199.049  307.909  199.049   0.0000   0.0000  308.425  118.170  ?   ?       ?      ? 
1 1 1   18   17    1 o  176.475   52.901   37.450   62.657   50.415   95.307   27.580   83.153  185.564   77.891  167.385   71.603 18.17822 105.8012 
1 1 1   18   17    2 o  337.360   67.742  300.598   90.317  275.723  111.903  347.082  152.974  327.485   86.336  347.234  104.414 -19.74899 135.4849 
1 1 1   18   17    3 o  255.949   63.519  164.327   78.714  122.952  103.831  220.239  120.701  226.993   85.734  284.904   93.745 -57.91084 127.0372 
1 1 1   18   17    4 o  190.934   54.668   67.145   63.213   66.780   92.430   67.465   86.643  191.926   78.250  189.941   76.363 1.985077 109.3356 
1 1 1   18   17    5 o  206.523   55.725   89.067   63.251  132.932   94.778   53.844   84.931  231.880   82.832  181.166   74.566 50.71384 111.4506 
1 1 1   18   17    6 o  300.188   65.619  249.205   85.682  274.504  115.252  217.946  128.110  321.643   88.870  278.732   96.568 42.91168 131.2375 
1 1 1   18   17    7 o  133.164   61.767 -38.0169   76.676 -38.0169   76.676   0.0000   0.0000  133.164   61.767  ?   ?       ?      ? 
1 1 1   18   17    8 o  308.543   98.539  274.420  133.935  274.420  133.935   0.0000   0.0000  308.543   98.539  ?   ?       ?      ? 
1 1 1   18   17    9 o  181.427   76.594   49.595   93.020   49.595   93.020   0.0000   0.0000  181.427   76.594  ?   ?       ?      ? 
1 1 1   18   17   10 o  486.593  104.478  679.987  192.464  679.987  192.464   0.0000   0.0000  486.593  104.478  ?   ?       ?      ? 
1 1 1   18   17   11 o  345.194   99.989  350.295  142.462  350.295  142.462   0.0000   0.0000  345.194   99.989  ?   ?       ?      ? 
1 1 1   18   17   12 o  157.711   69.789   12.447   84.830   12.447   84.830   0.0000   0.0000  157.711   69.789  ?   ?       ?      ? 
1 1 1   18   17   13 o  298.795   72.671  309.408  115.230  378.901  141.929  175.013  197.376  356.083   98.710  241.507  106.682 114.5753 145.3429 
1 1 1   18   17   14 o  203.536   64.074   76.418   96.245   57.488  115.922  118.421  172.676  187.670   82.369  219.402   98.170 -31.73260 128.1484 
1 1 1   18   17   15 o  214.778   64.904  125.820  103.475  180.716  124.056   0.3036  187.583  239.545   92.886  190.011   90.678 49.53410 129.8088 
1 1 1   18   17   16 o  218.973   64.093  137.248   85.866  100.724  106.523  205.007  145.091  197.499   82.587  240.447   98.036 -42.94852 128.1860 
1 1 1   18   17   17 o  179.693   54.866   68.164   62.846   68.574   70.631   66.606  137.697  172.412   69.077  186.973   85.262 -14.56093 109.7320 
1 1 1   18   17   18 o  260.439   84.371  211.505   97.925  211.505   97.925   0.0000   0.0000  260.439   84.371  ?   ?       ?      ? 
1 1 1   18   17   19 o  153.633   66.537   36.688   73.521   36.688   73.521   0.0000   0.0000  153.633   66.537  ?   ?       ?      ? 
1 1 1   18   17   20 o  151.707   65.627   35.702   71.360   35.702   71.360   0.0000   0.0000  151.707   65.627  ?   ?       ?      ? 
1 1 1   18   17   21 o  130.986   59.714  -2.0054   67.480  -2.0054   67.480   0.0000   0.0000  130.986   59.714  ?   ?       ?      ? 
1 1 1   18   17   22 o  203.218   94.884  159.727  185.690  159.727  185.690   0.0000   0.0000  203.218   94.884  ?   ?       ?      ? 
1 1 1   18   18    0 o  245.011   66.957  140.930  101.680   7.7527  147.717  260.850  140.173  191.984   87.839  298.037  101.082 -106.0530 133.9150 
1 1 1   18   18    1 o  169.287   54.498   2.0666   65.035   23.644  143.668  -3.4947   72.936  194.886   88.167  143.688   64.082 51.19794 108.9952 
1 1 1   18   18    2 o  177.981   56.016   28.198   66.119   6.5580  152.674   33.193   73.354  193.583   88.839  162.380   68.256 31.20366 112.0318 
1 1 1   18   18    3 o  424.331  143.586  740.348  282.834  740.348  282.834   0.0000   0.0000  424.331  143.586  ?   ?       ?      ? 
1 1 1   18   18    4 o  207.078   57.811   94.921   68.974   94.538   98.495   95.289   96.619  207.086   82.026  207.071   81.487 0.1510620E-01 115.6221 
1 1 1   18   18    5 f  203.378   58.319   80.167   73.103   40.406   99.257  127.302  108.070  180.218   77.680  226.538   87.006 -46.32042 116.6374 
1 1 1   18   18    6 f  280.295   66.401  204.883   80.282  171.816   96.117  281.179  146.002  255.908   83.629  304.682  103.163 -48.77426 132.8020 
1 1 1   18   18    7 o  224.680   62.770  124.406   80.962  121.157  107.842  128.602  122.559  222.082   86.467  227.278   91.016 -5.195847 125.5406 
1 1 1   18   18    8 o  219.380   64.833  106.101   87.562   92.417  105.416  136.550  157.254  205.728   83.686  233.033   99.044 -27.30551 129.6653 
1 1 1   18   18    9 o  211.083   64.109   91.687   93.104   96.637  115.956   82.706  156.193  209.114   86.695  213.051   94.467 -3.937592 128.2188 
1 1 1   18   18   10 o  231.906   68.021  114.304   94.598   51.131  113.414  258.740  171.488  187.631   81.934  276.181  108.601 -88.55090 136.0418 
1 1 1   18   18   11 o  375.719   83.547  535.696  142.943  564.444  175.965  479.918  245.106  427.038  106.070  324.400  129.110 102.6378 167.0934 
1 1 1   18   18   12 o  273.716   70.318  259.375  109.746  331.577  136.006  124.624  185.803  325.643   98.573  221.789  100.309 103.8541 140.6360 
1 1 1   18   18   13 o  238.323   67.937  186.369   98.847  204.651  119.015  145.714  177.479  254.457   92.567  222.189   99.464 32.26779 135.8738 
1 1 1   18   18   14 o  186.956   58.106   69.843   76.791   65.351   91.009   80.945  143.082  178.093   75.505  195.819   88.343 -17.72667 116.2130 
1 1 1   18   18   15 o  148.568   48.098   6.5446   59.685   31.296   67.396 -83.4407  128.505  149.418   64.204  147.718   71.634 1.700287 96.19534 
1 1 1   18   18   16 o  164.948   52.273   38.936   61.823   39.244   70.177   37.866  130.652  154.197   65.865  175.700   81.190 -21.50328 104.5468 
1 1 1   18   18   17 o  212.127   61.355  146.919   82.592  165.323   93.953   84.325  173.266  230.393   82.453  193.861   90.882 36.53229 122.7109 
1 1 1   18   18   18 o  146.576   64.740   23.373   72.665   23.373   72.665   0.0000   0.0000  146.576   64.740  ?   ?       ?      ? 
1 1 1   18   18   19 o  159.962   72.676   28.070   98.885   28.070   98.885   0.0000   0.0000  159.962   72.676  ?   ?       ?      ? 
1 1 1   18   18   20 o  111.768   55.039 -113.8585   84.949 -113.8585   84.949   0.0000   0.0000  111.768   55.039  ?   ?       ?      ? 
1 1 1   18   19    0 o  188.679   55.588   45.969   69.398  124.992  107.627 -10.2675   90.793  223.723   86.582  153.635   69.739 70.08833 111.1754 
1 1 1   18   19    1 o  150.714   48.055  -8.5591   58.858   16.160   91.552 -25.9737   76.843  164.557   72.675  136.872   62.892 27.68472 96.10931 
1 1 1   18   19    2 o  365.157   68.954  361.377   90.363  339.240  103.231  433.935  186.894  372.398   73.644  357.916  116.598 14.48166 137.9075 
1 1 1   18   19    3 o  272.919   67.641  178.808   86.586  101.039  104.222  352.070  155.562  209.770   83.957  336.067  106.078 -126.2962 135.2822 
1 1 1   18   19    4 o  334.838  112.222  373.603  172.752   0.0000   0.0000  373.603  172.752  ?   ?   334.838  112.222      ?      ? 
1 1 1   18   19    5 o  245.929   94.754  171.141  128.458   0.0000   0.0000  171.141  128.458  ?   ?   245.929   94.754      ?      ? 
1 1 1   18   19    6 o  205.131   60.216   89.580   81.240  125.203  108.389   43.912  122.723  221.378   86.550  188.884   83.744 32.49367 120.4322 
1 1 1   18   19    7 o  287.555   74.675  270.155  107.231  261.879  128.732  288.912  193.802  294.442   96.811  280.668  113.725 13.77359 149.3505 
1 1 1   18   19    8 f  235.770   70.342  160.985  108.602  164.486  131.995  153.649  191.074  237.774   94.711  233.767  104.027 4.006165 140.6834 
1 1 1   18   19    9 o  338.251   85.170  462.549  143.392  463.917  179.548  460.141  238.262  361.602  113.944  314.901  126.621 46.70087 170.3408 
1 1 1   18   19   10 o  205.361   64.765   59.696   93.507   0.6443  109.435  219.423  179.982  163.424   75.078  247.297  105.553 -83.87250 129.5302 
1 1 1   18   19   11 o  142.120   48.947 -85.6454   69.882 -110.8433   80.558  -9.0284  140.471  111.904   54.800  172.336   81.120 -60.43128 97.89467 
1 1 1   18   19   12 o  196.544   58.210   99.235   77.883  130.253   91.622   18.446  147.868  213.803   80.588  179.286   84.019 34.51788 116.4201 
1 1 1   18   19   13 o  218.967   61.789  145.932   76.450  137.005   91.824  166.102  138.021  215.912   80.814  222.023   93.492 -6.110931 123.5788 
1 1 1   18   19   14 o  202.960   55.976  108.789   77.544  197.207   96.882 -48.8334  129.355  251.952   84.040  153.967   73.963 97.98514 111.9522 
1 1 1   18   19   15 o  146.505   47.615   6.3094   59.148   30.428   66.633 -83.3092  128.444  147.140   63.534  145.869   70.939 1.271042 95.23084 
1 1 1   18   19   16 o  178.552   56.372   64.730   72.621   64.923   82.450   64.061  153.366  171.212   72.187  185.893   86.605 -14.68132 112.7448 
1 1 1   18   19   17 o  151.464   51.574 -15.4561   68.497 -11.4715   74.187 -38.4804  178.332  132.602   61.241  170.327   83.001 -37.72534 103.1489 
1 1 1   18   19   18 o  170.376   75.889   55.584  101.946   55.584  101.946   0.0000   0.0000  170.376   75.889  ?   ?       ?      ? 
1 1 1   18   19   19 o  242.862  109.333  351.700  217.798  351.700  217.798   0.0000   0.0000  242.862  109.333  ?   ?       ?      ? 
1 1 1   18   20    0 o  232.875   62.740  128.075   77.714   68.515   96.148  240.308  131.985  187.685   78.471  278.065   97.916 -90.37921 125.4801 
1 1 1   18   20    1 o  125.342   42.453 -76.0211   59.342 -66.9267   82.114 -85.9634   85.856  126.336   60.209  124.348   59.867 1.987679 84.90697 
1 1 1   18   20    2 f  304.244   85.598  325.448  137.263  578.836  267.616  234.990  159.898  343.675  135.499  264.812  104.632 78.86328 171.1951 
1 1 1   18   20    3 o  283.163   82.022  269.944  129.241  482.207  255.525  196.976  149.818  316.922  129.759  249.405  100.363 67.51711 164.0435 
1 1 1   18   20    4 o  203.432   65.394   66.604  100.623   97.048  208.519   57.362  114.885  219.148  101.725  187.715   82.204 31.43234 130.7877 
1 1 1   18   20    5 o  141.290   47.589 -65.0951   72.413 -53.7431  100.347 -77.4298  104.600  142.896   67.655  139.685   66.945 3.211105 95.17764 
1 1 1   18   20    6 o  283.367   76.001  272.059  110.335  210.324  135.011  396.198  191.450  254.134   97.333  312.600  116.753 -58.46587 152.0026 
1 1 1   18   20    7 o  190.378   62.746   22.730  104.149 -24.0263  125.372  126.847  187.087  163.177   76.756  217.579   99.282 -54.40131 125.4924 
1 1 1   18   20    8 o  283.888   79.853  338.115  130.366  311.753  163.167  384.648  216.782  283.873  107.412  283.904  118.189 -0.3036499E-01 159.7060 
1 1 1   18   20    9 o  200.723   65.591   85.778  120.623   86.833  169.926   84.706  171.256  200.892   92.747  200.555   92.773 0.3370514 131.1827 
1 1 1   18   20   10 o  172.781   58.104  -8.3286  107.041 -19.9196  151.838   3.1233  150.924  170.455   81.411  175.107   82.925 -4.652725 116.2079 
1 1 1   18   20   11 o  231.860   71.685  215.384  125.508  163.210  187.463  257.770  168.965  215.899   98.844  247.820  103.851 -31.92044 143.3706 
1 1 1   18   20   12 f  173.229   57.356   18.211   93.856   74.989  151.244 -17.3462  119.689  189.702   87.553  156.757   74.118 32.94469 114.7127 
1 1 1   18   20   13 o  174.590   57.220   37.135   92.902  -6.6083  154.030   62.147  116.471  170.618   81.629  178.561   80.208 -7.942795 114.4407 
1 1 1   18   20   14 o  151.069   52.104 -78.2953   97.435 -107.3012  162.457 -61.9999  121.767  155.540   76.501  146.598   70.760 8.941788 104.2084 
1 1 1   18   20   15 o  147.530   51.393 -121.8758  104.820 -144.8593  145.490 -97.0704  151.147  142.701   70.600  152.360   74.705 -9.658691 102.7868 
1 1 1   18   20   16 o  190.706   62.558   78.215  119.513  167.351  148.937 -82.9722  200.281  213.100   93.452  168.313   83.191 44.78682 125.1157 
1 1 1   18   20   17 o  176.980   61.388  -5.4004  135.187 -33.2530  163.865   53.953  239.208  164.566   80.053  189.394   93.088 -24.82782 122.7759 
1 1 1   18   20   18 o  ?   ?   2696.37  756.771  2696.37  756.771   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   18   21    0 o  220.934   70.862  124.663  113.308  275.517  239.298   81.066  128.643  247.298  112.626  194.570   86.028 52.72755 141.7233 
1 1 1   18   21    1 o  223.572   71.099  149.788  117.966  215.917  244.695  129.765  134.646  234.018  109.149  213.127   91.140 20.89105 142.1973 
1 1 1   18   21    2 o  217.366   70.450   98.430  109.855  317.023  241.522   41.410  123.354  255.328  115.022  179.404   81.379 75.92465 140.8993 
1 1 1   18   21    3 f  329.506   94.332  610.412  183.726  769.542  304.005  518.849  230.603  340.019  140.622  318.993  125.776 21.02618 188.6644 
1 1 1   18   21    4 o  214.352   68.962  120.792  118.429  228.984  207.996   68.891  144.061  236.814  106.706  191.891   87.390 44.92300 137.9241 
1 1 1   18   21    5 o  175.281   56.775   32.677   88.132   58.253  113.686  -5.8447  139.520  180.435   80.271  170.126   80.312 10.30806 113.5490 
1 1 1   18   21    6 o  173.516   57.361   15.890   96.226   46.087  118.633 -42.1844  164.521  176.812   80.043  170.219   82.183 6.593781 114.7211 
1 1 1   18   21    7 o  240.993   68.714  218.663  109.838  294.465  140.671  100.263  175.807  280.926  100.854  201.061   93.355 79.86508 137.4287 
1 1 1   18   21    8 o  219.690   66.380  162.823   98.122  146.299  121.909  193.220  165.343  213.847   88.795  225.533   98.695 -11.68666 132.7602 
1 1 1   18   21    9 o  204.092   62.529  125.721   90.359  132.214  108.217  110.771  164.208  207.847   84.696  200.338   92.010 7.508957 125.0576 
1 1 1   18   21   10 o  164.584   53.324   28.863   74.953   51.495   86.704 -38.0727  149.109  166.218   72.122  162.951   78.564 3.266861 106.6483 
1 1 1   18   21   11 o  158.821   51.921   16.443   66.988   12.217   77.045   29.538  135.608  144.233   64.971  173.409   81.006 -29.17577 103.8418 
1 1 1   18   21   12 o  167.537   53.061   45.856   69.320   55.912   82.972   22.614  126.140  166.587   71.400  168.486   78.511 -1.898911 106.1224 
1 1 1   18   21   13 o  194.900   59.201  109.769   82.870  134.558  102.447   62.843  140.951  207.507   83.173  182.293   84.269 25.21399 118.4020 
1 1 1   18   21   14 o  175.373   56.097   58.250   84.110   94.187   97.728 -44.4209  165.186  186.266   78.565  164.479   80.093 21.78680 112.1934 
1 1 1   18   21   15 o  174.982   58.169   48.018   91.235   56.262  101.233   12.355  210.553  169.220   75.480  180.744   88.528 -11.52423 116.3380 
1 1 1   18   21   16 o  204.820   69.111  157.281  138.993   86.909  163.707  339.012  263.076  185.427   87.370  224.212  107.107 -38.78502 138.2226 
1 1 1   18   22    0 o  226.567  106.326  234.030  238.220  234.030  238.220   0.0000   0.0000  226.567  106.326  ?   ?       ?      ? 
1 1 1   18   22    1 o  174.003   58.330   8.9396  105.883 -103.6028  200.505   52.461  124.687  169.434   83.649  178.572   81.315 -9.137589 116.6591 
1 1 1   18   22    2 o  207.817   67.527   66.298  110.447  349.191  210.477 -41.2000  129.745  259.917  112.573  155.718   74.610 104.1990 135.0530 
1 1 1   18   22    3 o  182.552   58.899   55.765   93.690   7.8313  129.501  108.406  135.711  167.041   78.392  198.062   87.927 -31.02100 117.7980 
1 1 1   18   22    4 o  174.325   56.784   30.991   92.650   90.103  121.509 -51.1124  143.202  189.970   83.821  158.679   76.627 31.29124 113.5675 
1 1 1   18   22    5 o  247.708   73.501  231.627  114.332  138.950  139.962  417.502  198.214  207.858   90.887  287.559  115.538 -79.70085 147.0013 
1 1 1   18   22    6 o  200.096   66.682   94.047  128.917  200.429  213.403   32.914  161.772  219.403  102.198  180.789   85.684 38.61382 133.3647 
1 1 1   18   22    7 o  190.899   63.858   69.393  122.961   81.776  204.366   62.367  153.944  196.071   93.864  185.727   86.608 10.34384 127.7162 
1 1 1   18   22    8 o  203.165   66.368  125.160  123.578  157.741  175.774   93.316  173.775  211.009   96.265  195.321   91.390 15.68794 132.7368 
1 1 1   18   22    9 o  169.285   56.381 -20.6526   79.431 -82.1398   91.512  167.204  159.954  124.385   60.349  214.185   95.253 -89.79976 112.7612 
1 1 1   18   22   10 o  239.460   68.423  223.580   97.940  218.489  117.787  234.987  176.299  247.745   91.765  231.174  101.519 16.57138 136.8463 
1 1 1   18   22   11 o  157.096   50.661   22.066   69.296   45.233   88.512 -14.6193  111.381  162.421   71.609  151.771   71.681 10.64989 101.3210 
1 1 1   18   22   12 o  210.178   62.154  152.246   85.477  157.835  112.754  144.694  131.070  214.706   86.833  205.649   88.952 9.057236 124.3077 
1 1 1   18   22   13 o  132.639   45.681 -84.2933   75.543 -117.2827  103.161 -46.1497  110.928  123.158   60.649  142.121   68.330 -18.96381 91.36299 
1 1 1   18   22   14 o  209.574   97.233  201.738  190.177   0.0000   0.0000  201.738  190.177  ?   ?   209.574   97.233      ?      ? 
1 1 1   18   23    0 o  152.653   53.301 -89.9136   97.417 -70.5814  196.265 -96.2335  112.216  170.787   84.016  134.519   65.615 36.26822 106.6026 
1 1 1   18   23    1 o  138.482   48.747 -140.8687   93.138 -277.1250  193.932 -100.0185  106.186  146.778   73.916  130.186   63.573 16.59203 97.49423 
1 1 1   18   23    2 o  214.856   66.944  164.443  112.531  221.139  152.277   96.231  167.029  234.623   98.468  195.089   90.720 39.53346 133.8880 
1 1 1   18   23    3 o  217.081   93.596  169.961  144.177  169.961  144.177   0.0000   0.0000  217.081   93.596  ?   ?       ?      ? 
1 1 1   18   23    4 o  200.769   88.713  123.064  136.589  123.064  136.589   0.0000   0.0000  200.769   88.713  ?   ?       ?      ? 
1 1 1   18   23    5 o  159.253   75.358  -8.5950  124.169  -8.5950  124.169   0.0000   0.0000  159.253   75.358  ?   ?       ?      ? 
1 1 1   18   23    6 o  140.443   67.670 -60.2029  110.215 -60.2029  110.215   0.0000   0.0000  140.443   67.670  ?   ?       ?      ? 
1 1 1   18   23    7 o  174.270   78.245   59.373  110.705   59.373  110.705   0.0000   0.0000  174.270   78.245  ?   ?       ?      ? 
1 1 1   18   23    8 o  243.923   71.537  243.879  105.633  200.360  126.916  341.991  190.564  231.147   92.600  256.698  109.065 -25.55107 143.0731 
1 1 1   18   23    9 o  152.635   50.923  -4.5478   74.250 -11.3426   90.043   9.8894  131.251  141.219   65.982  164.050   77.582 -22.83118 101.8457 
1 1 1   18   23   10 o  147.351   48.917 -20.1998   75.463   44.166   94.670 -132.3667  124.973  162.023   72.578  132.679   65.604 29.34325 97.83412 
1 1 1   18   23   11 o  278.434   67.234  224.407  118.855 -99.1737  155.372  680.879  184.539  149.527   73.786  407.341  112.416 -257.8140 134.4681 
1 1 1   18   24    0 f  157.073   53.710 -41.4629   96.329   14.573  154.883 -76.8124  123.017  171.790   82.097  142.357   69.276 29.43300 107.4202 
1 1 1   18   24    1 f  158.839   53.463 -12.0140   90.254 -40.5026  121.666   22.847  134.588  149.190   71.685  168.487   79.337 -19.29645 106.9256 
1 1 1   18   24    2 o  149.559   50.734 -36.1021   85.183 -16.2427  110.709 -64.9209  133.364  150.090   71.061  149.027   72.431 1.062302 101.4689 
1 1 1   18   24    3 o  190.359   61.253  100.926   97.654  100.532  120.028  101.697  167.952  188.732   83.290  191.986   89.835 -3.254547 122.5050 
1 1 1   18   24    4 o  201.180   65.680  118.700  108.680   62.102  128.449  261.307  203.893  176.718   81.242  225.641  103.224 -48.92264 131.3597 
1 1 1   18   24    5 o  170.750   58.207 -11.2693  106.956 -89.8155  132.807  133.702  180.426  143.423   70.261  198.076   92.820 -54.65259 116.4140 
1 1 1   18   24    6 o  163.333   56.092 -37.9687  103.289 -112.6399  128.209  100.121  174.350  137.053   67.515  189.612   89.593 -52.55864 112.1833 
1 1 1   18   24    7 o  305.891   86.665  566.620  152.449  479.973  185.462  747.135  267.692  303.348  114.579  308.434  130.058 -5.086273 173.3304 
1 1 1   19    0    0 o  350.744   17.147  244.242   32.827  244.242   32.827  244.242   32.827  350.744   24.250  350.744   24.250 -0.000000 0.000000 
1 1 1   19    0    1 o  233.616   17.248  110.272   21.683  110.272   21.683  110.272   21.683  233.616   24.393  233.616   24.393 0.000000 0.000000 
1 1 1   19    0    2 o  513.863   18.444  521.163   51.998  521.163   51.998  521.163   51.998  513.863   26.084  513.863   26.084 0.000000 0.000000 
1 1 1   19    0    3 o  238.477   16.590  114.490   21.349  114.490   21.349  114.490   21.349  238.477   23.461  238.477   23.461 0.000000 0.000000 
1 1 1   19    0    4 o  253.191   16.970  128.822   23.223  128.822   23.223  128.822   23.223  253.191   23.999  253.191   23.999 0.000000 0.000000 
1 1 1   19    0    5 o  892.964   23.726  1572.65  116.548  1572.65  116.548  1572.65  116.548  892.964   33.553  892.964   33.553 -0.000000 0.000000 
1 1 1   19    0    6 o  412.106   24.756  340.838   55.369  340.838   55.369  340.838   55.369  412.106   35.011  412.106   35.011 -0.000000 0.000000 
1 1 1   19    0    7 o  374.881   16.988  278.520   34.816  278.520   34.816  278.520   34.816  374.881   24.025  374.881   24.025 0.000000 0.000000 
1 1 1   19    0    8 o  357.323   16.850  253.293   32.889  253.293   32.889  253.293   32.889  357.323   23.830  357.323   23.830 0.000000 0.000000 
1 1 1   19    0    9 o  137.583   32.905   48.113   22.359   48.113   22.359   48.113   22.359  137.583   46.535  137.583   46.535 0.000000 0.000000 
1 1 1   19    0   10 o  607.369   26.297  734.156   87.388  734.156   87.388  734.156   87.388  607.369   37.189  607.369   37.189 -0.000000 0.000000 
1 1 1   19    0   11 o  182.340   30.024   75.088   26.272   75.088   26.272   75.088   26.272  182.340   42.460  182.340   42.460 -0.000000 0.000000 
1 1 1   19    0   12 o  341.608   22.656  235.224   41.849  235.224   41.849  235.224   41.849  341.608   32.040  341.608   32.040 -0.000000 0.000000 
1 1 1   19    0   13 o  212.491   22.655   94.498   24.783   94.498   24.783   94.498   24.783  212.491   32.039  212.491   32.039 -0.000000 0.000000 
1 1 1   19    0   14 o  542.194   24.314  585.983   72.083  585.983   72.083  585.983   72.083  542.194   34.385  542.194   34.385 -0.000000 0.000000 
1 1 1   19    0   15 o  309.829   75.589  259.928  116.402  259.928  116.402  259.928  116.402  309.829  106.898  309.829  106.898 -0.000000 0.000000 
1 1 1   19    1    0 o  574.533   19.021  649.285   42.645  657.110   60.593  641.606   60.028  577.969   26.865  571.098   26.935 6.870911 38.04231 
1 1 1   19    1    1 o  483.023   17.963  458.476   33.857  452.106   47.478  465.066   48.294  479.615   25.367  486.431   25.441 -6.815521 35.92662 
1 1 1   19    1    2 o  282.325   16.088  155.697   17.636  135.235   24.126  179.181   25.846  262.438   23.557  302.212   21.916 -39.77390 32.17504 
1 1 1   19    1    3 o  532.891   18.493  558.292   38.451  549.992   53.820  566.946   54.952  528.858   26.078  536.924   26.227 -8.065796 36.98503 
1 1 1   19    1    4 o  655.687   20.051  846.151   51.288  870.259   73.655  823.459   71.458  664.739   28.394  646.634   28.318 18.10522 40.10103 
1 1 1   19    1    5 o  939.564   24.441  1746.03   89.589  1720.26  124.922  1773.32  128.553  932.517   34.328  946.611   34.800 -14.09424 48.88201 
1 1 1   19    1    6 o  504.534   25.578  504.411   50.358  508.991   71.632  499.935   70.809  506.788   36.220  502.279   36.125 4.508789 51.15586 
1 1 1   19    1    7 o  564.067   26.654  626.180   58.671  626.180   58.671   0.0000   0.0000  564.067   26.654  ?   ?       ?      ? 
1 1 1   19    1    8 o  1001.04   30.230  1939.69  109.853  1842.49  131.519  2164.01  199.785  964.481   34.943  1037.60   49.340 -73.12177 60.46052 
1 1 1   19    1    9 o  229.421   18.406   92.527   15.339   75.458   18.090  136.191   28.934  195.964   23.655  262.879   28.204 -66.91528 36.81123 
1 1 1   19    1   10 o  630.988   27.342  792.346   67.243  745.940   94.925  839.086   95.267  612.096   39.740  649.880   37.564 -37.78418 54.68420 
1 1 1   19    1   11 o  480.180   36.767  458.028   68.897   0.0000   0.0000  458.028   68.897  ?   ?   480.180   36.767      ?      ? 
1 1 1   19    1   12 o  373.102   23.052  275.046   33.513  264.498   45.888  287.102   49.061  365.526   32.170  380.677   33.025 -15.15173 46.10383 
1 1 1   19    1   13 o  681.799   27.433  924.905   72.816  890.265   98.979  965.771  107.505  668.249   37.955  695.349   39.618 -27.09955 54.86520 
1 1 1   19    1   14 o  330.582   21.534  222.337   26.988  266.584   36.902  171.462   39.570  367.617   25.723  293.547   34.543 74.07031 43.06829 
1 1 1   19    1   15 o  182.710   44.348   65.642   38.187   58.324   52.576   73.813   55.557  174.939   61.779  190.481   63.642 -15.54189 88.69539 
1 1 1   19    1   16 o  274.710   89.545  174.418  110.222   0.0000   0.0000  174.418  110.222  ?   ?   274.710   89.545      ?      ? 
1 1 1   19    2    0 o  120.131   19.115   29.471   8.7507   26.920   12.211   32.165   12.547  114.692   27.613  125.570   26.441 -10.87809 38.23067 
1 1 1   19    2    1 o  778.777   21.865  1194.90   66.403  1160.11   91.816  1233.06   96.151  766.972   30.677  790.582   31.166 -23.61017 43.73035 
1 1 1   19    2    2 o  712.305   20.895  999.381   58.064  979.986   80.848  1020.04   83.443  705.213   29.378  719.398   29.723 -14.18451 41.79086 
1 1 1   19    2    3 o  843.170   22.915  1400.86   75.285  1349.04  103.072  1460.12  110.225  826.633   31.952  859.707   32.855 -33.07465 45.82960 
1 1 1   19    2    4 o  392.021   16.981  301.636   25.967  292.587   36.113  311.323   37.365  385.942   23.978  398.099   24.051 -12.15701 33.96197 
1 1 1   19    2    5 o  289.266   22.248  175.672   22.612  193.205   27.516  139.203   39.684  313.735   22.475  264.797   38.404 48.93860 44.49654 
1 1 1   19    2    6 o  630.424   53.737  719.826   62.494  705.685   64.259  966.651  268.470  598.670   27.505  662.179  103.894 -63.50879 107.4731 
1 1 1   19    2    7 o  307.623   24.027  187.382   28.821  194.561   40.588  180.081   40.932  313.672   33.158  301.574   34.780 12.09830 48.05349 
1 1 1   19    2    8 o  654.528   23.751  832.174   57.508  800.640   70.262  896.174  100.097  637.414   28.247  671.642   38.190 -34.22821 47.50118 
1 1 1   19    2    9 o  442.310   21.466  402.990   35.205  458.073   45.427  320.159   55.706  482.750   24.113  401.871   35.521 80.87875 42.93215 
1 1 1   19    2   10 o  376.854   32.242  280.852   47.417   0.0000   0.0000  280.852   47.417  ?   ?   376.854   32.242      ?      ? 
1 1 1   19    2   11 o  411.061   22.665  358.197   33.760  437.555   43.979  244.352   52.676  471.735   23.890  350.388   38.524 121.3479 45.33048 
1 1 1   19    2   12 o  461.536   25.319  463.639   40.980  552.739   51.508  309.969   67.644  529.905   24.908  393.167   44.088 136.7380 50.63771 
1 1 1   19    2   13 o  256.600   33.878  169.914   30.395  227.839   37.316   55.710   52.396  339.657   28.153  173.543   61.631 166.1140 67.75651 
1 1 1   19    2   14 o  249.237   28.947  128.292   24.380  130.460   28.783  122.789   45.864  256.794   28.723  241.679   50.268 15.11497 57.89492 
1 1 1   19    2   15 o  238.912   52.736  122.738   56.977  167.991   79.579   75.139   81.615  274.816   72.977  203.007   76.149 71.80887 105.4719 
1 1 1   19    2   16 f  130.449   37.007   23.405   14.014   24.535   14.245 -10.5657   78.125  109.685   31.574  151.213   66.940 -41.52827 74.01327 
1 1 1   19    2   18 f  105.948   30.993   22.941   13.627   22.941   13.627   0.0000   0.0000  105.948   30.993  ?   ?       ?      ? 
1 1 1   19    2   19 o  272.539   32.063  149.739   34.101  149.739   34.101   0.0000   0.0000  272.539   32.063  ?   ?       ?      ? 
1 1 1   19    2   29 o  307.648   33.274  199.606   39.947  199.606   39.947   0.0000   0.0000  307.648   33.274  ?   ?       ?      ? 
1 1 1   19    3    0 f  211.313   23.364   89.285   16.710   88.871   19.639   90.369   31.806  212.732   23.657  209.894   40.296 2.837418 46.72721 
1 1 1   19    3    1 o  864.300   23.220  1475.73   78.317  1480.09  110.889  1471.39  110.624  865.577   32.829  863.024   32.847 2.552368 46.43959 
1 1 1   19    3    2 o  480.115   17.989  452.728   33.688  438.605   46.783  467.938   48.550  472.354   25.380  487.877   25.501 -15.52243 35.97813 
1 1 1   19    3    3 o  213.355   23.473   90.829   16.750   90.198   19.541   92.579   32.520  214.321   23.364  212.389   40.718 1.931534 46.94543 
1 1 1   19    3    4 o  635.369   23.333  751.732   53.624  683.120   63.521  921.906  100.038  589.041   27.634  681.698   37.605 -92.65625 46.66642 
1 1 1   19    3    5 o  572.697   22.662  649.830   48.532  654.991   60.687  640.672   80.835  576.879   26.958  568.515   36.436 8.364807 45.32417 
1 1 1   19    3    6 f  542.064   44.938  454.135   46.010  435.995   47.200  800.104  206.130  470.820   25.690  613.308   86.125 -142.4878 89.87520 
1 1 1   19    3    7 o  631.412   23.738  788.813   55.729  789.034   69.082  788.400   94.302  632.863   27.972  629.961   38.360 2.902466 47.47540 
1 1 1   19    3    8 o  688.617   40.048  943.874  107.620   0.0000   0.0000  943.874  107.620  ?   ?   688.617   40.048      ?      ? 
1 1 1   19    3    9 o  632.678   24.012  763.131   54.652  719.991   64.841  868.959  101.557  604.539   27.485  660.818   39.382 -56.27954 48.02441 
1 1 1   19    3   10 o  810.527   31.068  1309.07   98.061  1209.93  134.040  1423.23  143.837  777.535   44.176  843.519   43.696 -65.98419 62.13568 
1 1 1   19    3   11 o  263.323   30.104  175.842   23.367  207.388   27.134   85.289   45.972  324.997   21.395  201.648   56.278 123.3492 60.20749 
1 1 1   19    3   12 o  144.376   26.716   48.429   12.903   53.130   13.901   19.189   34.669  164.453   21.661  124.299   48.845 40.15364 53.43253 
1 1 1   19    3   13 o  308.805   28.936  156.154   22.712  146.573   23.945  242.104   71.719  272.996   22.476  344.615   53.330 -71.61942 57.87275 
1 1 1   19    3   14 o  272.740   22.297  146.403   23.731  146.403   23.731   0.0000   0.0000  272.740   22.297  ?   ?       ?      ? 
1 1 1   19    3   15 o  106.946   31.382   11.880   9.6489   12.076   9.8218   6.4630   51.650   80.285   26.757  133.606   56.774 -53.32111 62.76299 
1 1 1   19    3   16 o  289.379   49.975  196.926   37.893  201.450   39.787  152.762  124.301  317.688   32.093  261.071   94.658 56.61670 99.95008 
1 1 1   19    3   17 o  200.075   89.608   0.5367  144.240   0.0000   0.0000   0.5367  144.240  ?   ?   200.075   89.608      ?      ? 
1 1 1   19    3   18 o  203.638   31.261   83.216   24.843   83.216   24.843   0.0000   0.0000  203.638   31.261  ?   ?       ?      ? 
1 1 1   19    3   19 o  365.988   33.560  271.106   47.931  271.106   47.931   0.0000   0.0000  365.988   33.560  ?   ?       ?      ? 
1 1 1   19    3   21 o  156.276   63.488   36.729   60.572   36.729   60.572   0.0000   0.0000  156.276   63.488  ?   ?       ?      ? 
1 1 1   19    3   22 o  208.829   57.253  100.027   48.051  100.027   48.051   0.0000   0.0000  208.829   57.253  ?   ?       ?      ? 
1 1 1   19    3   23 o   69.045   32.907 -29.2203   24.533 -29.2203   24.533   0.0000   0.0000   69.045   32.907  ?   ?       ?      ? 
1 1 1   19    3   24 o  185.309   44.630   76.148   31.889   76.148   31.889   0.0000   0.0000  185.309   44.630  ?   ?       ?      ? 
1 1 1   19    3   25 o   78.233   32.911   3.2886   17.076   3.2886   17.076   0.0000   0.0000   78.233   32.911  ?   ?       ?      ? 
1 1 1   19    3   26 o  185.933   37.955   75.757   26.608   75.757   26.608   0.0000   0.0000  185.933   37.955  ?   ?       ?      ? 
1 1 1   19    3   27 o  292.846   33.318  180.072   38.076  180.072   38.076   0.0000   0.0000  292.846   33.318  ?   ?       ?      ? 
1 1 1   19    3   28 o  152.683   37.666   51.777   22.304   51.777   22.304   0.0000   0.0000  152.683   37.666  ?   ?       ?      ? 
1 1 1   19    3   29 o  254.253   32.590  136.000   32.336  136.000   32.336   0.0000   0.0000  254.253   32.590  ?   ?       ?      ? 
1 1 1   19    3   30 o  267.444   32.893  151.610   34.330  151.610   34.330   0.0000   0.0000  267.444   32.893  ?   ?       ?      ? 
1 1 1   19    4    0 o  791.277   27.406  1241.14   79.257  1237.32   96.471  1249.08  139.019  791.812   31.221  790.742   45.051 1.070068 54.81194 
1 1 1   19    4    1 o  319.538   21.139  189.731   23.872  175.527   27.859  228.981   46.309  298.931   23.881  340.146   34.888 -41.21542 42.27836 
1 1 1   19    4    2 o  459.028   21.350  407.038   36.123  390.568   43.937  441.393   63.457  445.726   25.260  472.329   34.427 -26.60342 42.70024 
1 1 1   19    4    3 o  365.784   22.365  284.132   29.412  337.520   37.557  199.463   47.297  414.583   23.214  316.984   38.235 97.59869 44.73042 
1 1 1   19    4    4 o  847.560   27.133  1427.28   86.174  1429.55  107.891  1423.28  143.216  850.572   32.505  844.548   43.454 6.023926 54.26633 
1 1 1   19    4    5 o  428.664   21.038  343.081   32.673  313.771   38.787  414.689   60.626  399.511   24.879  457.817   33.934 -58.30673 42.07700 
1 1 1   19    4    6 o  617.140   53.154  696.917   61.207  683.838   62.998  917.199  258.540  589.288   27.395  644.992  102.717 -55.70313 106.3072 
1 1 1   19    4    7 o  853.964   27.640  1448.21   87.798  1443.85  108.824  1456.33  148.599  854.552   32.633  853.376   44.621 1.175781 55.28086 
1 1 1   19    4    8 o  613.164   24.282  747.098   54.553  752.075   66.716  737.057   94.767  617.842   27.671  608.485   39.909 9.357239 48.56357 
1 1 1   19    4    9 o  419.173   27.059  346.190   43.773  329.189   57.219  370.178   67.968  407.329   35.997  431.017   40.409 -23.68826 54.11728 
1 1 1   19    4   10 o  287.724   27.911  162.655   30.406  155.938   38.256  174.178   50.105  280.405   34.961  295.043   43.517 -14.63864 55.82138 
1 1 1   19    4   11 o  191.917   30.843   89.262   22.133  109.706   26.039   36.043   42.013  235.790   28.299  148.043   54.811 87.74690 61.68511 
1 1 1   19    4   12 o  240.251   37.704  157.708   22.335  167.550   23.387   55.627   75.317  292.114   20.516  188.388   72.562 103.7253 75.40705 
1 1 1   19    4   13 o  238.106   36.483  167.838   22.406  181.351   23.497   32.348   74.401  303.890   19.813  172.321   70.225 131.5689 72.96630 
1 1 1   19    4   14 o  117.523   29.395   20.219   8.4812   20.149   8.6492   21.971   43.247   99.197   22.818  135.849   54.181 -36.65191 58.78954 
1 1 1   19    4   15 o  431.174   56.935  537.125   48.240  560.313   50.312  272.879  169.841  532.669   24.204  329.678  111.268 202.9903 113.8703 
1 1 1   19    4   16 o  423.242   31.320  357.530   51.730  357.530   51.730   0.0000   0.0000  423.242   31.320  ?   ?       ?      ? 
1 1 1   19    4   18 o  197.724   78.736   70.251   91.199   70.251   91.199   0.0000   0.0000  197.724   78.736  ?   ?       ?      ? 
1 1 1   19    4   19 o  330.970  102.984  307.033  147.185  307.033  147.185   0.0000   0.0000  330.970  102.984  ?   ?       ?      ? 
1 1 1   19    4   21 o  210.289   85.231   95.095  108.885   95.095  108.885   0.0000   0.0000  210.289   85.231  ?   ?       ?      ? 
1 1 1   19    4   23 o  478.205  177.220  1466.23  439.426  1466.23  439.426   0.0000   0.0000  478.205  177.220  ?   ?       ?      ? 
1 1 1   19    4   24 o  115.223   49.353   7.5855   39.597   7.5855   39.597   0.0000   0.0000  115.223   49.353  ?   ?       ?      ? 
1 1 1   19    4   25 o  225.952   90.668  157.197  121.894  157.197  121.894   0.0000   0.0000  225.952   90.668  ?   ?       ?      ? 
1 1 1   19    4   26 f  280.687  104.669  313.254  153.753  313.254  153.753   0.0000   0.0000  280.687  104.669  ?   ?       ?      ? 
1 1 1   19    4   27 o  176.827   69.821   77.625   71.158   77.625   71.158   0.0000   0.0000  176.827   69.821  ?   ?       ?      ? 
1 1 1   19    4   28 o  171.136   70.278   68.564   75.232   68.564   75.232   0.0000   0.0000  171.136   70.278  ?   ?       ?      ? 
1 1 1   19    4   29 f  120.638   56.178 -21.1994   64.417 -21.1994   64.417   0.0000   0.0000  120.638   56.178  ?   ?       ?      ? 
1 1 1   19    5    0 o  582.712   37.601  673.750   85.504   0.0000   0.0000  673.750   85.504  ?   ?   582.712   37.601      ?      ? 
1 1 1   19    5    1 o  649.318   25.258  840.684   59.817  851.019   72.952  819.479  104.495  657.238   28.444  641.398   41.748 15.84027 50.51679 
1 1 1   19    5    2 o  859.579   29.575  1343.34   85.427  1232.17   96.780  1735.55  181.776  789.992   31.393  929.166   50.132 -139.1738 59.14961 
1 1 1   19    5    3 o  249.651   26.398  135.897   20.650  145.859   23.916  106.715   40.932  272.577   22.484  226.726   47.770 45.85144 52.79697 
1 1 1   19    5    4 o  569.914   23.122  619.238   47.851  582.754   57.184  704.450   87.393  544.094   26.932  595.735   37.592 -51.64105 46.24356 
1 1 1   19    5    5 o  467.197   22.720  434.347   38.622  439.910   47.002  422.782   67.770  472.930   25.468  461.465   37.633 11.46506 45.44054 
1 1 1   19    5    6 o  376.730   24.830  291.419   31.995  303.759   37.646  259.322   60.716  393.081   24.542  360.380   43.173 32.70151 49.66089 
1 1 1   19    5    7 o  1020.63   36.860  2067.59  146.811  2067.59  146.811   0.0000   0.0000  1020.63   36.860  ?   ?       ?      ? 
1 1 1   19    5    8 o  372.698   23.941  280.893   30.364  287.434   35.437  262.828   58.895  382.419   23.746  362.978   41.578 19.44061 47.88120 
1 1 1   19    5    9 o  755.544   26.539  1151.30   74.646  1194.40   93.645  1076.21  123.621  777.472   30.865  733.616   43.181 43.85645 53.07790 
1 1 1   19    5   10 o  381.044   22.186  241.671   27.225  212.054   30.114  374.190   63.700  328.409   23.498  433.679   37.639 -105.2702 44.37148 
1 1 1   19    5   11 o   33.546   16.579 -17.9933   7.9505   0.0000   0.0000 -17.9933   7.9505  ?   ?    33.546   16.579      ?      ? 
1 1 1   19    5   12 o  349.979   46.245  243.994   42.433  238.375   45.489  281.658  117.764  346.447   33.646  353.511   86.152 -7.063660 92.48907 
1 1 1   19    5   13 o  461.774   55.476  547.028   50.216  564.236   52.567  367.410  169.835  534.817   25.187  388.732  108.056 146.0850 110.9529 
1 1 1   19    5   14 o  155.349   37.109   41.361   18.053   40.967   18.879   45.566   61.700  140.550   34.643  170.149   65.637 -29.59854 74.21829 
1 1 1   19    5   15 o  137.645   38.318   20.416   13.131   19.600   13.353   44.328   72.279   99.447   31.031  175.843   70.072 -76.39582 76.63553 
1 1 1   19    5   16 o  222.147   57.592  103.966   63.029  114.777   74.295   76.204  119.057  227.150   73.480  217.145   88.701 10.00424 115.1835 
1 1 1   19    5   17 o  323.008  119.611  300.422  200.092   0.0000   0.0000  300.422  200.092  ?   ?   323.008  119.611      ?      ? 
1 1 1   19    5   18 o  125.077   56.934 -24.2172   61.048 -24.2172   61.048   0.0000   0.0000  125.077   56.934  ?   ?       ?      ? 
1 1 1   19    5   19 o  329.859  103.520  309.982  148.364  309.982  148.364   0.0000   0.0000  329.859  103.520  ?   ?       ?      ? 
1 1 1   19    5   21 o  255.200   90.351  175.692  112.526  175.692  112.526   0.0000   0.0000  255.200   90.351  ?   ?       ?      ? 
1 1 1   19    5   22 o  375.948  115.768  466.621  186.545  466.621  186.545   0.0000   0.0000  375.948  115.768  ?   ?       ?      ? 
1 1 1   19    5   24 o  155.637   61.154   46.659   54.340   46.659   54.340   0.0000   0.0000  155.637   61.154  ?   ?       ?      ? 
1 1 1   19    5   25 o  250.295   55.542  148.863   52.833  148.863   52.833   0.0000   0.0000  250.295   55.542  ?   ?       ?      ? 
1 1 1   19    5   26 o   96.557   41.338   4.8371   27.755   4.8371   27.755   0.0000   0.0000   96.557   41.338  ?   ?       ?      ? 
1 1 1   19    5   27 o   99.486   43.533   1.3396   32.164   1.3396   32.164   0.0000   0.0000   99.486   43.533  ?   ?       ?      ? 
1 1 1   19    5   28 o  385.329   46.026  333.545   69.210  333.545   69.210   0.0000   0.0000  385.329   46.026  ?   ?       ?      ? 
1 1 1   19    5   29 o  147.792   54.879   49.720   42.179   49.720   42.179   0.0000   0.0000  147.792   54.879  ?   ?       ?      ? 
1 1 1   19    6    0 o  290.519   24.617  153.600   26.737  119.062   32.693  223.356   46.462  245.276   34.156  335.761   35.460 -90.48482 49.23487 
1 1 1   19    6    1 o  419.076   21.624  324.284   32.129  296.477   37.511  400.864   62.250  388.346   24.752  449.806   35.463 -61.45914 43.24715 
1 1 1   19    6    2 o  180.580   30.099   84.441   19.182   98.784   21.187   19.227   45.177  224.198   24.216  136.961   55.113 87.23653 60.19889 
1 1 1   19    6    3 o  137.011   31.442   36.730   14.408   38.986   15.122   14.532   47.430  138.104   28.984  135.917   55.807 2.186661 62.88423 
1 1 1   19    6    4 o  642.430   25.169  811.495   58.573  800.571   70.550  835.730  105.081  637.352   28.365  647.508   41.586 -10.15619 50.33884 
1 1 1   19    6    5 o  291.291   27.612  189.632   24.766  207.724   28.749  137.568   48.769  325.232   22.652  257.350   50.364 67.88211 55.22350 
1 1 1   19    6    6 o  259.598   26.516  134.808   20.655  134.160   23.056  137.444   46.493  261.366   22.605  257.830   47.974 3.536163 53.03292 
1 1 1   19    6    7 o  337.806   44.657  335.020   34.633  362.225   36.766  120.803  103.169  429.522   21.935  246.090   86.579 183.4325 89.31467 
1 1 1   19    6    8 o  450.594   24.955  399.451   43.880  399.451   43.880   0.0000   0.0000  450.594   24.955  ?   ?       ?      ? 
1 1 1   19    6    9 o  333.312   33.728  164.089   24.591  153.871   25.448  308.185   95.564  279.771   23.309  386.854   63.301 -107.0834 67.45644 
1 1 1   19    6   10 o  607.245   59.352  758.606   65.083  752.893   67.241  843.362  258.988  617.702   27.895  596.789  115.380 20.91339 118.7038 
1 1 1   19    6   11 o  416.326   49.492  330.013   54.011  315.596   57.856  427.806  150.680  397.923   37.257  434.729   91.704 -36.80539 98.98344 
1 1 1   19    6   12 o  353.154   65.990  284.245   91.621  326.508  140.892  253.277  120.604  374.284   95.998  332.023   90.571 42.26111 131.9796 
1 1 1   19    6   13 o   65.341   31.104 -27.3336   21.779   0.0000   0.0000 -27.3336   21.779  ?   ?    65.341   31.104      ?      ? 
1 1 1   19    6   14 o  326.115   50.359  261.068   45.270  272.652   48.655  186.395  123.531  369.455   33.747  282.774   94.897 86.68091 100.7185 
1 1 1   19    6   15 o  310.097   51.325  237.427   39.476  243.911   41.324  169.764  133.498  349.827   30.270  270.366   98.086 79.46100 102.6509 
1 1 1   19    6   16 o  276.150   56.760  187.971   61.398  202.213   69.449  137.010  131.371  303.231   60.806  249.068   95.861 54.16388 113.5199 
1 1 1   19    6   17 o  146.903   47.799   9.8107   34.396   15.595   35.367 -91.1462  147.753  119.618   48.542  174.188   82.357 -54.56934 95.59843 
1 1 1   19    6   18 o  438.763   33.208  389.608   56.860  389.608   56.860   0.0000   0.0000  438.763   33.208  ?   ?       ?      ? 
1 1 1   19    6   19 o  216.997   82.614  107.704   96.902  107.704   96.902   0.0000   0.0000  216.997   82.614  ?   ?       ?      ? 
1 1 1   19    6   21 o  119.151   54.715 -25.8451   58.038 -25.8451   58.038   0.0000   0.0000  119.151   54.715  ?   ?       ?      ? 
1 1 1   19    6   22 o  290.145   98.561  251.949  133.273  251.949  133.273   0.0000   0.0000  290.145   98.561  ?   ?       ?      ? 
1 1 1   19    6   23 o  324.894  107.863  354.256  159.663  354.256  159.663   0.0000   0.0000  324.894  107.863  ?   ?       ?      ? 
1 1 1   19    6   24 o  250.084   64.391  155.365   63.218  155.365   63.218   0.0000   0.0000  250.084   64.391  ?   ?       ?      ? 
1 1 1   19    6   25 o  213.073   58.813  111.920   50.505  111.920   50.505   0.0000   0.0000  213.073   58.813  ?   ?       ?      ? 
1 1 1   19    6   26 o  153.836   55.566   54.028   42.775   54.028   42.775   0.0000   0.0000  153.836   55.566  ?   ?       ?      ? 
1 1 1   19    6   27 o   98.801   45.343 -15.5462   39.778 -15.5462   39.778   0.0000   0.0000   98.801   45.343  ?   ?       ?      ? 
1 1 1   19    6   28 o  364.232   45.924  298.473   65.276  298.473   65.276   0.0000   0.0000  364.232   45.924  ?   ?       ?      ? 
1 1 1   19    6   29 o   93.632   43.671 -22.6072   39.171 -22.6072   39.171   0.0000   0.0000   93.632   43.671  ?   ?       ?      ? 
1 1 1   19    7    0 o  784.292   27.096  1198.99   77.011  1160.90   92.407  1285.60  139.336  766.773   30.882  801.810   44.531 -35.03735 54.19123 
1 1 1   19    7    1 o  182.635   33.287   66.405   20.913   64.751   23.672   72.286   44.631  177.764   35.368  187.506   56.402 -9.741745 66.57404 
1 1 1   19    7    2 o  160.930   27.872   40.810   13.016   35.566   13.974   75.196   35.783  131.909   28.011  189.951   48.195 -58.04161 55.74398 
1 1 1   19    7    3 o  401.489   23.475  306.694   32.720  293.041   37.978  346.013   64.450  385.987   25.213  416.991   39.606 -31.00388 46.95035 
1 1 1   19    7    4 o  407.005   26.377  321.731   34.478  316.325   38.819  341.923   75.028  401.068   24.803  412.941   46.559 -11.87350 52.75354 
1 1 1   19    7    5 o  389.532   24.847  307.660   33.265  315.928   39.072  285.879   63.415  400.774   24.982  378.290   42.957 22.48416 49.69331 
1 1 1   19    7    6 o  425.678   23.703  318.308   33.806  284.909   38.108  441.669   73.238  380.478   25.666  470.879   39.856 -90.40079 47.40543 
1 1 1   19    7    7 o  449.842   23.716  360.761   35.609  327.978   40.154  481.494   77.058  408.244   25.205  491.440   40.180 -83.19611 47.43130 
1 1 1   19    7    8 o  174.862   33.078   70.048   25.152   91.334   29.434   12.436   48.424  214.514   35.161  135.210   56.038 79.30339 66.15570 
1 1 1   19    7    9 o  270.614   42.542  170.534   35.641  181.751   39.337  119.116   84.219  302.769   33.293  238.460   78.299 64.30946 85.08340 
1 1 1   19    7   10 o  618.273   65.985  959.282  100.510  1008.66  109.356  690.589  255.098  710.500   39.441  526.045  125.938 184.4542 131.9692 
1 1 1   19    7   11 o  416.543   52.896  389.499   56.699  395.378   61.123  353.239  151.794  445.587   35.151  387.497   99.780 58.08994 105.7910 
1 1 1   19    7   12 o  517.434   36.995  535.481   74.702  535.481   74.702   0.0000   0.0000  517.434   36.995  ?   ?       ?      ? 
1 1 1   19    7   13 o  278.016   44.463  193.859   38.809  211.052   42.648  111.048   93.596  325.177   33.608  230.855   82.330 94.32253 88.92593 
1 1 1   19    7   14 o  583.271   89.244  783.456  203.133  783.456  203.133   0.0000   0.0000  583.271   89.244  ?   ?       ?      ? 
1 1 1   19    7   15 o  302.563   51.801  241.451   42.075  252.003   44.066  132.526  141.579  354.842   31.822  250.284   98.594 104.5582 103.6025 
1 1 1   19    7   16 o  269.955   53.023  128.816   32.925  123.101   33.914  222.467  137.282  246.832   35.209  293.079  100.031 -46.24722 106.0462 
1 1 1   19    7   17 o  155.242   47.292   30.439   19.357   31.686   19.511 -47.4641  154.182  123.832   37.302  186.652   86.917 -62.81921 94.58366 
1 1 1   19    7   18 o  155.025   63.415   32.534   60.959   32.534   60.959   0.0000   0.0000  155.025   63.415  ?   ?       ?      ? 
1 1 1   19    7   19 o  126.236   36.845   33.475   19.278   33.475   19.278   0.0000   0.0000  126.236   36.845  ?   ?       ?      ? 
1 1 1   19    7   25 f  252.158   74.092  176.722   77.727  176.722   77.727   0.0000   0.0000  252.158   74.092  ?   ?       ?      ? 
1 1 1   19    7   26 o  280.828   61.409  197.734   65.423  197.734   65.423   0.0000   0.0000  280.828   61.409  ?   ?       ?      ? 
1 1 1   19    7   27 o  258.543   66.992  177.268   68.140  177.268   68.140   0.0000   0.0000  258.543   66.992  ?   ?       ?      ? 
1 1 1   19    7   28 o  184.374   58.579   86.283   47.379   86.283   47.379   0.0000   0.0000  184.374   58.579  ?   ?       ?      ? 
1 1 1   19    7   29 o  180.104   55.654   82.081   43.070   82.081   43.070   0.0000   0.0000  180.104   55.654  ?   ?       ?      ? 
1 1 1   19    8    0 o  1102.40   38.572  2417.72  164.132  2171.50  213.716  2771.77  256.273  1036.47   52.838  1168.33   56.209 -131.8599 77.14498 
1 1 1   19    8    1 o  552.114   27.008  600.382   58.191  600.382   58.191   0.0000   0.0000  552.114   27.008  ?   ?       ?      ? 
1 1 1   19    8    2 o  176.104   31.287   63.251   18.682   63.334   21.055   62.943   40.513  176.420   31.750  175.789   53.920 0.6309204 62.57341 
1 1 1   19    8    3 o  229.098   25.947   93.832   17.541   87.367   19.204  126.393   43.095  210.854   23.338  247.342   46.351 -36.48824 51.89496 
1 1 1   19    8    4 o  616.501   25.191  687.938   53.581  621.416   61.398  900.422  109.731  561.430   28.024  671.573   41.870 -110.1429 50.38284 
1 1 1   19    8    5 o  428.991   25.085  362.128   41.995  362.128   41.995   0.0000   0.0000  428.991   25.085  ?   ?       ?      ? 
1 1 1   19    8    6 o  193.644   46.808   78.279   34.981   78.279   34.981   0.0000   0.0000  193.644   46.808  ?   ?       ?      ? 
1 1 1   19    8    7 o  998.438   96.190  2075.93  182.623  2016.00  189.220  2890.62  697.688  999.870   48.495  997.005  186.168 2.865356 192.3805 
1 1 1   19    8    8 o  321.102   44.266  268.073   43.858  307.231   49.703  130.357   93.212  393.763   32.346  248.441   82.412 145.3224 88.53239 
1 1 1   19    8    9 o  912.739   92.306  2119.25  191.756  2157.15  205.326  1860.61  536.383  1030.58   51.054  794.900  177.412 235.6777 184.6119 
1 1 1   19    8   10 o  565.544   60.285  729.653   84.639  740.189   91.243  664.664  226.605  608.404   38.430  522.683  114.282 85.72021 120.5705 
1 1 1   19    8   11 o  625.706   68.277  916.694  100.082  925.057  106.883  857.179  285.126  678.486   40.368  572.927  130.451 105.5591 136.5544 
1 1 1   19    8   12 o  376.524   52.976  313.259   55.070  313.855   59.735  309.889  142.151  395.117   38.741  357.932   98.616 37.18506 105.9527 
1 1 1   19    8   13 o  662.912   40.653  889.096  105.168  889.096  105.168   0.0000   0.0000  662.912   40.653  ?   ?       ?      ? 
1 1 1   19    8   14 o  156.165   43.568   35.458   30.681   35.621   33.237   34.518   79.781  138.426   49.094  173.905   71.990 -35.47992 87.13619 
1 1 1   19    8   15 o  207.289   51.479   86.778   63.009  151.869   73.220 -99.0118  123.702  256.926   70.772  157.652   74.778 99.27431 102.9584 
1 1 1   19    8   16 o  166.010   50.726   29.733   47.411   39.561   50.732 -38.0622  133.244  153.937   59.480  178.083   82.186 -24.14618 101.4516 
1 1 1   19    8   17 o  272.442   70.600  150.772   78.393  114.601   86.056  327.171  190.040  221.751   78.959  323.133  117.060 -101.3822 141.2002 
1 1 1   19    8   18 o  245.602   55.830  141.994   39.740  145.459   40.407   39.630  219.631  265.526   38.996  225.678  104.630 39.84796 111.6602 
1 1 1   19    8   19 o  139.534   47.554   39.749   31.025   39.749   31.025   0.0000   0.0000  139.534   47.554  ?   ?       ?      ? 
1 1 1   19    8   20 o  369.745   38.904  283.583   56.134  283.583   56.134   0.0000   0.0000  369.745   38.904  ?   ?       ?      ? 
1 1 1   19    8   21 o  453.310   40.429  430.064   71.519  430.064   71.519   0.0000   0.0000  453.310   40.429  ?   ?       ?      ? 
1 1 1   19    8   22 o   86.693   27.259   15.116   10.282   15.116   10.282   0.0000   0.0000   86.693   27.259  ?   ?       ?      ? 
1 1 1   19    8   23 o  189.250   76.635   83.048   87.945   83.048   87.945   0.0000   0.0000  189.250   76.635  ?   ?       ?      ? 
1 1 1   19    8   25 o  122.721   55.238  -2.1246   55.565  -2.1246   55.565   0.0000   0.0000  122.721   55.238  ?   ?       ?      ? 
1 1 1   19    8   26 o  362.725  145.322  990.415  312.599  990.415  312.599   0.0000   0.0000  362.725  145.322  ?   ?       ?      ? 
1 1 1   19    8   27 o  235.581   89.282  193.162  112.848  193.162  112.848   0.0000   0.0000  235.581   89.282  ?   ?       ?      ? 
1 1 1   19    8   28 o  159.430   58.266   61.492   47.232   61.492   47.232   0.0000   0.0000  159.430   58.266  ?   ?       ?      ? 
1 1 1   19    9    0 o  131.671   35.251   19.362   25.395   1.5261   32.754   46.246   40.212  106.263   45.184  157.078   54.121 -50.81430 70.50301 
1 1 1   19    9    1 o  447.290   29.412  362.322   48.655  247.124   59.804  587.849   83.678  351.390   43.613  543.190   39.475 -191.7999 58.82487 
1 1 1   19    9    2 o  393.489   25.520  276.437   32.821  253.624   36.724  366.974   73.158  358.855   26.224  428.123   43.789 -69.26740 51.04055 
1 1 1   19    9    3 o  172.081   29.982   38.947   15.612   28.125   16.809  106.874   42.115  117.954   34.398  226.209   49.116 -108.2543 59.96372 
1 1 1   19    9    4 o  622.071   62.278  787.577   90.782  771.898   96.125  916.985  276.157  622.171   39.591  621.971  118.096 0.2008057 124.5555 
1 1 1   19    9    5 o  160.449   40.066   45.717   29.497   43.440   35.398   50.891   53.360  150.678   50.797  170.221   61.973 -19.54308 80.13113 
1 1 1   19    9    6 o  294.486   39.995  236.626   41.535  310.849   49.548   61.182   76.177  396.141   32.051  192.832   73.289 203.3088 79.99046 
1 1 1   19    9    7 o  239.521   41.796  134.623   37.658  155.321   43.551   73.284   74.972  278.714   40.041  200.328   73.379 78.38657 83.59255 
1 1 1   19    9    8 o  295.264   44.464  175.574   51.233  175.574   51.233   0.0000   0.0000  295.264   44.464  ?   ?       ?      ? 
1 1 1   19    9    9 o  391.927   37.738  307.132   57.718  307.132   57.718   0.0000   0.0000  391.927   37.738  ?   ?       ?      ? 
1 1 1   19    9   10 o  979.953   49.580  1960.27  189.603  1960.27  189.603   0.0000   0.0000  979.953   49.580  ?   ?       ?      ? 
1 1 1   19    9   11 o  294.546   46.492  216.913   48.629  250.786   56.421  119.061   95.897  352.472   41.019  236.621   83.448 115.8504 92.98439 
1 1 1   19    9   12 o  222.304   45.608  113.899   41.833  130.819   49.744   73.028   77.312  247.030   53.175  197.577   74.114 49.45345 91.21656 
1 1 1   19    9   13 o  351.503   55.349  304.067   59.457  317.038   65.332  241.519  143.462  394.353   42.453  308.652  102.234 85.70151 110.6975 
1 1 1   19    9   14 o  665.445   40.544  903.284  105.286  903.284  105.286   0.0000   0.0000  665.445   40.544  ?   ?       ?      ? 
1 1 1   19    9   15 o  243.129   52.973  148.661   49.625  161.452   52.903   54.932  143.208  273.160   51.518  213.099   92.576 60.06116 105.9455 
1 1 1   19    9   16 o  226.428   54.057  118.810   44.789  124.609   46.738   53.589  156.745  238.236   51.753  214.620   94.923 23.61592 108.1149 
1 1 1   19    9   17 o  194.041   61.264   14.674   52.482   0.4625   54.717  178.023  185.511  129.547   56.731  258.535  108.603 -128.9878 122.5276 
1 1 1   19    9   18 o  231.409   59.429  139.070   64.854  157.733   67.678 -70.6329  226.861  257.794   66.748  205.024   98.346 52.76913 118.8585 
1 1 1   19    9   19 o  119.833   52.035   2.7335   45.204   2.7335   45.204   0.0000   0.0000  119.833   52.035  ?   ?       ?      ? 
1 1 1   19    9   20 o  315.663  108.218  320.173  160.680  320.173  160.680   0.0000   0.0000  315.663  108.218  ?   ?       ?      ? 
1 1 1   19    9   21 o  279.143   67.529  190.031   72.761  190.031   72.761   0.0000   0.0000  279.143   67.529  ?   ?       ?      ? 
1 1 1   19    9   22 o  252.525   59.119  151.530   57.231  151.530   57.231   0.0000   0.0000  252.525   59.119  ?   ?       ?      ? 
1 1 1   19    9   23 o   91.571   28.297   17.231   11.134   17.231   11.134   0.0000   0.0000   91.571   28.297  ?   ?       ?      ? 
1 1 1   19    9   24 o  152.557   31.174   49.790   17.932   49.790   17.932   0.0000   0.0000  152.557   31.174  ?   ?       ?      ? 
1 1 1   19    9   25 o  399.000   33.285  334.360   51.827  334.360   51.827   0.0000   0.0000  399.000   33.285  ?   ?       ?      ? 
1 1 1   19    9   26 o  453.782   34.861  436.181   61.733  436.181   61.733   0.0000   0.0000  453.782   34.861  ?   ?       ?      ? 
1 1 1   19    9   27 o  473.992   35.768  479.786   66.160  479.786   66.160   0.0000   0.0000  473.992   35.768  ?   ?       ?      ? 
1 1 1   19    9   28 o  535.365   49.815  669.703  104.075  669.703  104.075   0.0000   0.0000  535.365   49.815  ?   ?       ?      ? 
1 1 1   19   10    0 o  264.610   35.953  163.915   27.237  174.923   30.089  113.975   64.089  297.970   25.876  231.250   67.088 66.72076 71.90521 
1 1 1   19   10    1 o  732.526   27.909  997.927   70.390  923.590   80.877  1230.11  142.936  683.442   30.324  781.609   46.862 -98.16742 55.81753 
1 1 1   19   10    2 o  653.707  133.137  1066.97  328.097   0.0000   0.0000  1066.97  328.097  ?   ?   653.707  133.137      ?      ? 
1 1 1   19   10    3 o  410.086   51.126  427.425   65.151  497.317   76.040  234.462  126.346  499.215   39.032  320.957   94.509 178.2575 102.2517 
1 1 1   19   10    4 o  780.316  163.210  1685.16  481.014   0.0000   0.0000  1685.16  481.014  ?   ?   780.316  163.210      ?      ? 
1 1 1   19   10    5 o  786.189   69.362  1172.99  122.024  1126.60  127.434  1684.80  423.271  748.740   43.614  823.639  131.689 -74.89911 138.7233 
1 1 1   19   10    6 o  498.955   57.159  555.304   75.600  561.403   82.275  522.221  191.613  529.570   39.812  468.339  107.162 61.23141 114.3182 
1 1 1   19   10    7 o  755.888   43.951  1151.95  129.646  1151.95  129.646   0.0000   0.0000  755.888   43.951  ?   ?       ?      ? 
1 1 1   19   10    8 o  256.577   44.611  151.292   44.457  175.507   53.683   98.437   79.310  294.076   46.779  219.078   75.977 74.99812 89.22279 
1 1 1   19   10    9 o  666.282   43.678  898.692  113.568  898.692  113.568   0.0000   0.0000  666.282   43.678  ?   ?       ?      ? 
1 1 1   19   10   10 o  259.913   46.425  161.006   48.805  194.869   58.800   86.008   87.506  308.301   48.873  211.525   78.946 96.77594 92.85004 
1 1 1   19   10   11 o  235.046   59.370  120.810   54.473  120.810   54.473   0.0000   0.0000  235.046   59.370  ?   ?       ?      ? 
1 1 1   19   10   12 o  184.365   64.388   69.158   57.008   69.158   57.008   0.0000   0.0000  184.365   64.388  ?   ?       ?      ? 
1 1 1   19   10   13 o  641.230   43.895  845.555  109.840  845.555  109.840   0.0000   0.0000  641.230   43.895  ?   ?       ?      ? 
1 1 1   19   10   14 o  179.345   52.370   47.958   54.419   60.022   61.386   3.6798  117.605  176.682   66.087  182.009   81.258 -5.327255 104.7391 
1 1 1   19   10   15 o  323.387   61.037  292.770   78.069  321.659   87.262  176.930  174.740  384.518   58.154  262.255  107.332 122.2639 122.0741 
1 1 1   19   10   16 o  174.279   54.899   28.937   53.654   34.505   56.679 -19.0941  166.466  152.882   61.657  195.675   90.850 -42.79317 109.7971 
1 1 1   19   10   17 o  197.741   60.385   53.344   48.747   49.397   50.359  112.078  194.273  159.723   59.835  235.760  104.906 -76.03731 120.7700 
1 1 1   19   10   18 o  402.431   71.016  507.870   98.325  523.839  106.117  410.957  261.422  488.104   55.711  316.759  130.650 171.3459 142.0319 
1 1 1   19   10   19 f  212.359   71.704  108.803   70.533  108.803   70.533   0.0000   0.0000  212.359   71.704  ?   ?       ?      ? 
1 1 1   19   10   20 o  151.905   64.129   27.740   65.205   27.740   65.205   0.0000   0.0000  151.905   64.129  ?   ?       ?      ? 
1 1 1   19   10   21 o  325.511   88.844  300.753  116.010  300.753  116.010   0.0000   0.0000  325.511   88.844  ?   ?       ?      ? 
1 1 1   19   10   22 o  265.818   81.043  200.196   91.692  200.196   91.692   0.0000   0.0000  265.818   81.043  ?   ?       ?      ? 
1 1 1   19   10   23 o  232.641   72.433  148.068   72.798  148.068   72.798   0.0000   0.0000  232.641   72.433  ?   ?       ?      ? 
1 1 1   19   10   24 o  161.642   32.315   56.184   19.672   56.184   19.672   0.0000   0.0000  161.642   32.315  ?   ?       ?      ? 
1 1 1   19   10   25 o  296.531   31.251  183.253   36.163  183.253   36.163   0.0000   0.0000  296.531   31.251  ?   ?       ?      ? 
1 1 1   19   10   26 o  163.434   33.482   57.976   20.637   57.976   20.637   0.0000   0.0000  163.434   33.482  ?   ?       ?      ? 
1 1 1   19   10   27 o  351.582   32.812  261.104   45.019  261.104   45.019   0.0000   0.0000  351.582   32.812  ?   ?       ?      ? 
1 1 1   19   11    0 o  963.172   50.195  1883.79  188.669  1883.79  188.669   0.0000   0.0000  963.172   50.195  ?   ?       ?      ? 
1 1 1   19   11    1 o  180.382   44.458   58.776   36.072   51.403   43.250   75.625   65.383  163.697   56.144  197.067   68.948 -33.36995 88.91521 
1 1 1   19   11    2 o  252.659   50.635  121.484   45.294  105.738   51.178  178.394   97.296  222.602   58.243  282.716   82.846 -60.11412 101.2707 
1 1 1   19   11    3 o  254.766   48.310  135.548   44.786  130.036   52.045  151.280   87.921  247.447   55.289  262.086   79.237 -14.63976 96.61990 
1 1 1   19   11    4 o  350.758   43.268  304.248   56.396  494.513   76.246   74.413   83.800  496.856   39.324  204.659   77.085 292.1971 86.53556 
1 1 1   19   11    5 o  216.811   75.569   95.415   78.508   0.0000   0.0000   95.415   78.508  ?   ?   216.811   75.569      ?      ? 
1 1 1   19   11    6 o  512.049   84.811  667.229  166.711  620.886  239.589  710.728  232.118  488.398  125.141  535.701  114.505 -47.30325 169.6218 
1 1 1   19   11    7 o  329.878   39.633  265.414   51.744  482.309   71.662   29.158   74.792  490.433   37.444  169.323   69.866 321.1093 79.26689 
1 1 1   19   11    8 o  531.990   62.118  600.888   88.984  581.291   96.374  714.167  231.712  533.945   46.252  530.035  115.304 3.910339 124.2351 
1 1 1   19   11    9 o  199.785   44.323   83.202   40.990  121.064   56.718   41.806   59.305  235.035   61.227  164.533   64.105 70.50195 88.64597 
1 1 1   19   11   10 o  282.549   52.822  188.955   57.948  204.928   70.445  155.525  101.912  306.203   61.094  258.895   86.186 47.30832 105.6436 
1 1 1   19   11   11 o  234.446   53.312  126.370   55.279  138.547   69.313  105.090   91.630  246.978   69.165  221.915   81.147 25.06335 106.6239 
1 1 1   19   11   12 o  244.755   54.136  142.642   56.515  154.615   67.606  114.863  102.978  260.678   66.303  228.831   85.595 31.84660 108.2713 
1 1 1   19   11   13 o  283.406   60.264  202.616   69.213  211.104   80.618  178.823  134.980  301.713   69.849  265.099   98.226 36.61398 120.5290 
1 1 1   19   11   14 o  198.903   59.459   38.024   61.498   15.634   67.494  147.488  149.238  150.460   64.440  247.347   99.946 -96.88698 118.9186 
1 1 1   19   11   15 o  346.295   62.448  323.852   77.537  335.360   86.716  277.970  173.155  391.901   56.701  300.689  111.284 91.21170 124.8968 
1 1 1   19   11   16 o  170.800   61.186   61.321   51.750   61.321   51.750   0.0000   0.0000  170.800   61.186  ?   ?       ?      ? 
1 1 1   19   11   17 o  332.609   71.469  266.571   90.001  266.571   90.001   0.0000   0.0000  332.609   71.469  ?   ?       ?      ? 
1 1 1   19   11   18 o  190.489   74.893   75.850   81.544   75.850   81.544   0.0000   0.0000  190.489   74.893  ?   ?       ?      ? 
1 1 1   19   11   19 o  194.651   61.745   88.570   52.655   88.570   52.655   0.0000   0.0000  194.651   61.745  ?   ?       ?      ? 
1 1 1   19   11   20 o  219.349   87.351  126.834  112.255  126.834  112.255   0.0000   0.0000  219.349   87.351  ?   ?       ?      ? 
1 1 1   19   11   21 o  188.721   72.006   86.198   73.715   86.198   73.715   0.0000   0.0000  188.721   72.006  ?   ?       ?      ? 
1 1 1   19   11   22 o  116.383   50.980   4.4289   44.209   4.4289   44.209   0.0000   0.0000  116.383   50.980  ?   ?       ?      ? 
1 1 1   19   11   23 o  123.705   52.610   16.472   44.419   16.472   44.419   0.0000   0.0000  123.705   52.610  ?   ?       ?      ? 
1 1 1   19   11   24 o  141.946   57.921   36.576   50.696   36.576   50.696   0.0000   0.0000  141.946   57.921  ?   ?       ?      ? 
1 1 1   19   11   25 o  222.176   30.819  102.817   26.721  102.817   26.721   0.0000   0.0000  222.176   30.819  ?   ?       ?      ? 
1 1 1   19   11   26 o  109.727   32.605   25.917   14.982   25.917   14.982   0.0000   0.0000  109.727   32.605  ?   ?       ?      ? 
1 1 1   19   12    0 o  180.042   46.738   55.442   40.638   47.450   49.074   72.882   72.494  162.964   59.416  197.120   72.163 -34.15671 93.47622 
1 1 1   19   12    1 o  158.457   42.056   38.136   37.419   65.467   49.046   0.0728   57.882  179.999   59.784  136.914   59.167 43.08481 84.11176 
1 1 1   19   12    2 o  524.439   59.320  668.465   87.453  706.031   97.754  517.876  195.720  591.535   42.347  457.343  110.825 134.1919 118.6400 
1 1 1   19   12    3 o  591.164   56.465  572.208   86.907  514.076   91.690  1086.21  272.645  502.733   46.736  679.596  102.805 -176.8624 112.9300 
1 1 1   19   12    4 o  276.152   52.941  154.751   53.194  133.544   61.871  214.848  104.158  247.180   63.733  305.125   84.553 -57.94508 105.8821 
1 1 1   19   12    5 o  414.717   54.975  408.528   70.504  430.271   80.078  333.556  148.697  460.171   44.592  369.263  100.501 90.90793 109.9492 
1 1 1   19   12    6 o  115.846   35.870  -9.7211   26.806   18.411   54.240 -18.8129   30.835  143.760   59.422   87.931   40.194 55.82875 71.73962 
1 1 1   19   12    7 o  169.569   63.453   50.886   56.603   0.0000   0.0000   50.886   56.603  ?   ?   169.569   63.453      ?      ? 
1 1 1   19   12    8 o  226.251   75.048  113.041   77.299   0.0000   0.0000  113.041   77.299  ?   ?   226.251   75.048      ?      ? 
1 1 1   19   12    9 o  396.774   63.660  339.582   98.569  339.582   98.569   0.0000   0.0000  396.774   63.660  ?   ?       ?      ? 
1 1 1   19   12   10 o  298.264   49.686  217.900   61.432  294.565   79.996  107.705   95.907  373.067   54.948  223.461   82.798 149.6063 99.37155 
1 1 1   19   12   11 o  138.586   42.242  -0.4520   42.689   31.499   61.331 -30.4803   59.457  156.312   63.736  120.860   55.455 35.45234 84.48438 
1 1 1   19   12   12 o  270.615   66.462  142.243   83.649   64.446   99.250  333.012  155.419  196.660   80.735  344.570  105.597 -147.9108 132.9245 
1 1 1   19   12   13 o  295.056   61.556  225.119   71.243  229.129   81.678  212.363  145.667  313.206   68.714  276.905  102.151 36.30112 123.1119 
1 1 1   19   12   14 o  298.176   66.069  253.991   85.834  274.121   98.292  189.337  176.155  334.807   76.855  261.544  107.487 73.26361 132.1372 
1 1 1   19   12   15 o  180.776   55.982   40.341   58.713   45.130   63.112   9.5351  160.068  163.597   65.384  197.955   90.889 -34.35788 111.9637 
1 1 1   19   12   16 o  206.346   55.805  101.308   62.595  128.769   65.837 -157.1229  201.968  231.462   68.241  181.231   88.318 50.23033 111.6107 
1 1 1   19   12   17 o  161.867   53.255 -16.2208   42.626 -26.9485   44.466  105.386  149.711  102.233   47.285  221.501   95.439 -119.2682 106.5103 
1 1 1   19   12   18 o  194.938   55.504   64.744   56.265   42.307   64.226  138.791  116.677  160.411   65.295  229.465   89.774 -69.05331 111.0077 
1 1 1   19   12   19 o  123.916   55.938 -10.8054   57.467 -10.8054   57.467   0.0000   0.0000  123.916   55.938  ?   ?       ?      ? 
1 1 1   19   12   20 o  202.420   82.556  103.197  102.926  103.197  102.926   0.0000   0.0000  202.420   82.556  ?   ?       ?      ? 
1 1 1   19   12   21 o   61.139   30.519 -72.8878   29.703 -72.8878   29.703   0.0000   0.0000   61.139   30.519  ?   ?       ?      ? 
1 1 1   19   12   22 o  169.720   69.371   64.164   72.875   64.164   72.875   0.0000   0.0000  169.720   69.371  ?   ?       ?      ? 
1 1 1   19   12   23 o  173.235   71.350   70.124   77.829   70.124   77.829   0.0000   0.0000  173.235   71.350  ?   ?       ?      ? 
1 1 1   19   12   24 o  201.098   79.530  119.066   92.458  119.066   92.458   0.0000   0.0000  201.098   79.530  ?   ?       ?      ? 
1 1 1   19   12   25 o  266.650   99.691  286.645  139.652  286.645  139.652   0.0000   0.0000  266.650   99.691  ?   ?       ?      ? 
1 1 1   19   12   26 o  205.044   84.403  142.755  108.834  142.755  108.834   0.0000   0.0000  205.044   84.403  ?   ?       ?      ? 
1 1 1   19   13    0 o  375.381   55.471  284.519   65.729  261.704   73.163  379.983  149.656  355.531   52.733  395.231   97.609 -39.69968 110.9424 
1 1 1   19   13    1 o  396.211   54.057  399.091   67.101  441.539   76.743  261.295  138.272  466.636   42.144  325.785   99.562 140.8515 108.1143 
1 1 1   19   13    2 o  142.188   40.950   16.367   37.725   44.276   49.717 -21.5106   57.919  159.583   59.517  124.792   56.262 34.79058 81.90046 
1 1 1   19   13    3 o  169.541   45.906   18.404   45.122 -30.3227   56.426  104.828   75.147  118.777   54.324  220.304   74.015 -101.5263 91.81113 
1 1 1   19   13    4 o  225.967   47.269  114.923   47.451  153.682   62.630   62.694   72.703  264.340   61.818  187.593   71.526 76.74683 94.53747 
1 1 1   19   13    5 o  307.480   54.596  204.699   61.450  180.413   73.499  261.098  112.005  283.827   67.368  331.132   85.933 -47.30475 109.1917 
1 1 1   19   13    6 o  308.204   75.333  219.145   89.842  219.145   89.842   0.0000   0.0000  308.204   75.333  ?   ?       ?      ? 
1 1 1   19   13    7 o  119.172   37.275  -1.2678   28.065  -6.8317   63.174   0.1002   31.326  136.806   60.397  101.538   43.704 35.26839 74.55083 
1 1 1   19   13    8 o  178.716   48.069   55.678   46.088   77.953   71.275   39.671   60.418  195.584   71.561  161.847   64.200 33.73700 96.13872 
1 1 1   19   13    9 o  408.262   74.151  426.996  118.569  594.726  190.012  320.036  151.735  473.319  105.559  343.206  104.168 130.1122 148.3030 
1 1 1   19   13   10 o  149.876   63.460   18.393   64.156   0.0000   0.0000   18.393   64.156  ?   ?   149.876   63.460      ?      ? 
1 1 1   19   13   11 o  505.770   67.558  577.764  133.341  577.764  133.341   0.0000   0.0000  505.770   67.558  ?   ?       ?      ? 
1 1 1   19   13   12 o  151.085   48.999 -27.0980   64.653 -25.1230  100.183 -28.5075   84.636  157.660   72.210  144.509   66.254 13.15132 97.99899 
1 1 1   19   13   13 o  309.325   63.723  276.440   88.141  332.414  108.258  166.377  151.806  368.135   77.792  250.514  100.951 117.6206 127.4467 
1 1 1   19   13   14 o  176.600   56.066   14.491   74.757   13.990   89.134   15.679  137.273  163.393   71.958  189.806   85.997 -26.41296 112.1316 
1 1 1   19   13   15 o  252.434   62.810  182.742   87.248  233.997   99.219   7.9430  183.228  300.635   82.208  204.232   94.986 96.40225 125.6208 
1 1 1   19   13   16 f  264.287   61.692  213.601   95.324  294.094  106.427 -112.9242  214.353  337.803   81.641  190.771   92.513 147.0327 123.3849 
1 1 1   19   13   17 o  129.385   44.393 -96.0708   46.029 -123.1879   50.670   31.925  110.086   79.425   39.679  179.346   79.425 -99.92128 88.78506 
1 1 1   19   13   18 o  202.655   60.853   89.303   83.651   85.260  114.018   94.016  123.104  199.826   84.604  205.484   87.490 -5.658081 121.7062 
1 1 1   19   13   19 o  191.023   75.187   87.520   82.269   87.520   82.269   0.0000   0.0000  191.023   75.187  ?   ?       ?      ? 
1 1 1   19   13   20 o  106.927   49.630 -25.1012   49.622 -25.1012   49.622   0.0000   0.0000  106.927   49.630  ?   ?       ?      ? 
1 1 1   19   13   21 o  236.755   82.308  170.858   93.106  170.858   93.106   0.0000   0.0000  236.755   82.308  ?   ?       ?      ? 
1 1 1   19   13   22 o  174.527   72.173   71.450   80.070   71.450   80.070   0.0000   0.0000  174.527   72.173  ?   ?       ?      ? 
1 1 1   19   13   23 o  123.598   57.055 -15.6767   64.273 -15.6767   64.273   0.0000   0.0000  123.598   57.055  ?   ?       ?      ? 
1 1 1   19   13   24 o  164.789   77.960   5.7758  132.754   5.7758  132.754   0.0000   0.0000  164.789   77.960  ?   ?       ?      ? 
1 1 1   19   13   25 f  106.116   50.243 -36.5957   55.354 -36.5957   55.354   0.0000   0.0000  106.116   50.243  ?   ?       ?      ? 
1 1 1   19   14    0 o  104.141   49.424 -58.0559   54.185 -58.0559   54.185   0.0000   0.0000  104.141   49.424  ?   ?       ?      ? 
1 1 1   19   14    1 o  187.788   49.092   41.360   48.965  -5.1630   60.132  132.915   84.355  134.647   59.205  240.929   78.326 -106.2827 98.18494 
1 1 1   19   14    2 o  262.680   48.850  167.122   53.168  209.706   67.310   96.465   86.702  310.598   57.655  214.761   78.874 95.83730 97.69926 
1 1 1   19   14    3 o  222.926   45.665  107.433   47.110  173.869   65.799   37.558   67.481  279.852   61.893  166.001   67.161 113.8512 91.33082 
1 1 1   19   14    4 o  187.468   50.476   59.221   51.488   31.358   67.534   97.898   79.566  161.865   66.541  213.070   75.918 -51.20511 100.9517 
1 1 1   19   14    5 o  446.468   58.033  426.655  101.111  426.655  101.111   0.0000   0.0000  446.468   58.033  ?   ?       ?      ? 
1 1 1   19   14    6 o  372.699   57.093  344.908   78.196  378.489   96.050  278.908  134.656  419.264   58.706  326.134   97.940 93.13058 114.1863 
1 1 1   19   14    7 o  136.682   42.387   1.8951   41.446 -15.0539   73.509   9.7945   50.184  141.731   63.688  131.634   55.949 10.09627 84.77349 
1 1 1   19   14    8 o  276.102   58.476  191.297   69.056  218.410   92.724  157.529  103.478  299.963   78.355  252.242   86.823 47.72130 116.9519 
1 1 1   19   14    9 o  154.927   46.594   21.908   47.523   17.342   81.142   24.292   58.630  161.723   69.970  148.130   61.549 13.59322 93.18861 
1 1 1   19   14   10 o  165.770   49.493   29.335   55.575   6.5141   79.609   51.029   77.618  154.816   68.097  176.724   71.840 -21.90773 98.98579 
1 1 1   19   14   11 o  222.372   61.416  115.214   77.571  131.309  101.595   92.712  120.121  231.047   85.295  213.697   88.388 17.35017 122.8316 
1 1 1   19   14   12 o  226.057   61.354  124.607   76.230  137.926   98.973  105.184  119.520  234.028   84.524  218.085   88.955 15.94260 122.7086 
1 1 1   19   14   13 o  199.072   59.068   71.211   71.947   69.086   84.556   76.786  136.947  188.398   75.545  209.746   90.824 -21.34805 118.1356 
1 1 1   19   14   14 o  257.497   54.179  196.409   70.952  251.568   79.176 -28.5006  159.877  328.492   64.065  186.502   87.389 141.9899 108.3571 
1 1 1   19   14   15 o  213.227   60.274  107.418   80.277  147.374   91.445 -26.8351  167.623  237.941   81.636  188.514   88.698 49.42642 120.5475 
1 1 1   19   14   16 o  202.862   60.430   88.002   79.135  114.220   87.136 -35.4203  189.057  213.627   78.967  192.096   91.496 21.53154 120.8609 
1 1 1   19   14   17 o  242.047   59.194  171.610   80.316  238.301   96.993   26.124  143.258  296.703   81.342  187.391   86.018 109.3125 118.3879 
1 1 1   19   14   18 o  193.960   57.589   87.232   72.042   97.719   85.910   62.382  132.240  197.105   77.056  190.814   85.606 6.291260 115.1781 
1 1 1   19   14   19 o  135.704   65.627 -84.8993  106.008 -84.8993  106.008   0.0000   0.0000  135.704   65.627  ?   ?       ?      ? 
1 1 1   19   14   20 o  184.954   82.959   71.138  124.120   71.138  124.120   0.0000   0.0000  184.954   82.959  ?   ?       ?      ? 
1 1 1   19   14   21 o  128.710   61.502 -53.3645   86.866 -53.3645   86.866   0.0000   0.0000  128.710   61.502  ?   ?       ?      ? 
1 1 1   19   14   22 o  150.618   75.392 -214.0370  187.003 -214.0370  187.003   0.0000   0.0000  150.618   75.392  ?   ?       ?      ? 
1 1 1   19   14   23 f  144.220   66.109   4.3055   84.208   4.3055   84.208   0.0000   0.0000  144.220   66.109  ?   ?       ?      ? 
1 1 1   19   14   24 o  152.181   67.652   32.297   80.609   32.297   80.609   0.0000   0.0000  152.181   67.652  ?   ?       ?      ? 
1 1 1   19   15    0 o  208.086   55.835   74.261   62.561   30.589   78.996  147.729  102.460  168.515   70.833  247.658   86.330 -79.14273 111.6698 
1 1 1   19   15    1 o  334.568   71.188  259.140   90.088  259.140   90.088   0.0000   0.0000  334.568   71.188  ?   ?       ?      ? 
1 1 1   19   15    2 o  156.782   67.324   15.713   74.018   15.713   74.018   0.0000   0.0000  156.782   67.324  ?   ?       ?      ? 
1 1 1   19   15    3 o  598.967   51.378  759.216  120.091  759.216  120.091   0.0000   0.0000  598.967   51.378  ?   ?       ?      ? 
1 1 1   19   15    4 o  296.296   61.369  215.188   72.153  201.631   87.488  244.020  127.584  289.558   76.339  303.034   96.110 -13.47598 122.7388 
1 1 1   19   15    5 f  187.065   50.894   64.435   52.130   91.857   80.395   44.539   68.478  205.508   75.874  168.621   67.854 36.88725 101.7886 
1 1 1   19   15    6 o  235.162   58.803  129.988   67.682   99.471   90.769  168.202  101.574  212.294   80.165  258.030   86.050 -45.73581 117.6054 
1 1 1   19   15    7 o  137.748   43.510 -11.1872   43.384   20.511   80.233 -24.2847   51.574  162.095   69.855  113.401   51.891 48.69412 87.01969 
1 1 1   19   15    8 o  313.007   95.112  268.208  126.447  268.208  126.447   0.0000   0.0000  313.007   95.112  ?   ?       ?      ? 
1 1 1   19   15    9 o  507.582   74.763  611.161  148.089  611.161  148.089   0.0000   0.0000  507.582   74.763  ?   ?       ?      ? 
1 1 1   19   15   10 o  229.251   59.755  129.129   69.371  123.734   88.723  137.617  111.275  224.747   80.158  233.754   88.641 -9.006989 119.5091 
1 1 1   19   15   11 o  282.063   98.965  230.737  134.753  230.737  134.753   0.0000   0.0000  282.063   98.965  ?   ?       ?      ? 
1 1 1   19   15   12 o  172.424   53.488   24.085   61.496   13.671   71.553   53.516  120.291  150.288   65.364  194.560   84.685 -44.27271 106.9762 
1 1 1   19   15   13 o  138.805   47.246 -72.3778   63.750 -72.5426   73.550 -71.8799  127.819  118.175   56.503  159.436   75.737 -41.26052 94.49178 
1 1 1   19   15   14 o  162.541   52.630  -5.3471   72.521   24.673   84.367 -90.2973  141.923  162.922   70.918  162.159   77.785 0.7636566 105.2608 
1 1 1   19   15   15 o  238.584   68.616  163.112   96.193  166.157  111.702  154.372  189.233  242.207   89.433  234.960  104.090 7.246948 137.2329 
1 1 1   19   15   16 o  215.525   65.544  115.826   90.056  116.927  100.553  111.362  202.451  211.431   83.153  219.619  101.338 -8.188660 131.0870 
1 1 1   19   15   17 o  148.403   47.889   1.1657   59.702   28.665   68.546 -85.2455  121.509  150.630   64.738  146.176   70.588 4.454056 95.77894 
1 1 1   19   15   18 o  130.451   44.294 -29.0626   49.493 -17.9879   53.524 -94.3765  129.984  114.059   52.438  146.843   71.401 -32.78464 88.58852 
1 1 1   19   15   19 o  109.256   50.847 -25.4873   52.643 -25.4873   52.643   0.0000   0.0000  109.256   50.847  ?   ?       ?      ? 
1 1 1   19   15   20 o  175.795   70.625   75.512   74.053   75.512   74.053   0.0000   0.0000  175.795   70.625  ?   ?       ?      ? 
1 1 1   19   15   21 o  191.242   75.258  100.736   82.411  100.736   82.411   0.0000   0.0000  191.242   75.258  ?   ?       ?      ? 
1 1 1   19   15   22 o  227.894   86.831  175.935  107.099  175.935  107.099   0.0000   0.0000  227.894   86.831  ?   ?       ?      ? 
1 1 1   19   15   23 o  197.279   80.610  120.643   98.365  120.643   98.365   0.0000   0.0000  197.279   80.610  ?   ?       ?      ? 
1 1 1   19   16    0 o  244.462   56.940  142.644   69.821  221.486   96.249   55.070  101.439  297.877   80.767  191.048   80.284 106.8286 113.8805 
1 1 1   19   16    1 o  287.578   64.571  201.058   79.478  146.922   98.392  302.708  134.825  242.928   84.603  332.228   97.572 -89.29987 129.1430 
1 1 1   19   16    2 o  302.337   65.747  229.109   80.511  194.987   97.103  304.164  144.014  277.146   83.156  327.528  101.861 -50.38187 131.4935 
1 1 1   19   16    3 o  327.666   67.204  273.819   84.629  245.860   99.939  344.685  159.107  313.352   81.101  341.981  107.183 -28.62924 134.4077 
1 1 1   19   16    4 o  184.600   53.155   58.924   60.150   55.848   88.696   61.543   81.845  184.591   76.114  184.609   74.218 -0.1754761E-01 106.3098 
1 1 1   19   16    5 o  177.089   75.893   36.213   93.725   36.213   93.725   0.0000   0.0000  177.089   75.893  ?   ?       ?      ? 
1 1 1   19   16    6 o  463.364   71.170  501.384  128.692  501.384  128.692   0.0000   0.0000  463.364   71.170  ?   ?       ?      ? 
1 1 1   19   16    7 o  262.405   85.696  180.594  100.934  180.594  100.934   0.0000   0.0000  262.405   85.696  ?   ?       ?      ? 
1 1 1   19   16    8 o  174.603   52.016   21.097   65.684 -59.6834   93.644   99.330   92.156  140.393   66.129  208.813   80.310 -68.42020 104.0325 
1 1 1   19   16    9 o  171.408   51.334   38.761   58.956   38.643   77.936   38.920   90.141  167.905   70.455  174.910   74.679 -7.005432 102.6687 
1 1 1   19   16   10 o  280.671   69.296  177.756   86.443  104.057  100.456  388.036  169.684  211.994   83.197  349.348  110.843 -137.3533 138.5925 
1 1 1   19   16   11 o  217.243   54.577  103.025   74.650  202.196   91.547 -93.7792  128.964  279.375   79.930  155.112   74.337 124.2631 109.1547 
1 1 1   19   16   12 o  246.098   69.089  162.232  108.041  267.155  147.572   41.025  158.610  291.074  103.425  201.122   91.634 89.95204 138.1787 
1 1 1   19   16   13 o  287.027   72.541  274.772  108.813  319.202  136.837  198.355  179.457  324.048   99.046  250.007  106.012 74.04053 145.0815 
1 1 1   19   16   14 o  148.894   49.614 -40.3755   72.528  -2.1546   84.575 -146.5964  140.993  149.415   67.617  148.373   72.624 1.041870 99.22855 
1 1 1   19   16   15 o  154.975   52.056 -27.8408   71.548 -27.3162   80.888 -29.7270  153.380  135.983   63.200  173.967   82.735 -37.98358 104.1117 
1 1 1   19   16   17 o  130.968   44.690 -41.0850   46.760 -50.5385   51.046   8.2229  116.580   98.076   46.941  163.859   76.061 -65.78288 89.37952 
1 1 1   19   16   18 o  252.250   63.140  240.748   96.095  305.875  111.420   51.628  189.868  314.115   87.596  190.385   90.960 123.7293 126.2805 
1 1 1   19   16   19 o  167.256   69.085   61.894   73.240   61.894   73.240   0.0000   0.0000  167.256   69.085  ?   ?       ?      ? 
1 1 1   19   16   20 f  155.640   67.119   40.774   74.173   40.774   74.173   0.0000   0.0000  155.640   67.119  ?   ?       ?      ? 
1 1 1   19   16   21 o  218.806   84.760  157.907  103.220  157.907  103.220   0.0000   0.0000  218.806   84.760  ?   ?       ?      ? 
1 1 1   19   16   22 o  172.707   75.780   68.506   98.055   68.506   98.055   0.0000   0.0000  172.707   75.780  ?   ?       ?      ? 
1 1 1   19   17    0 o  192.709   60.109   46.135   80.755 -13.4926  173.927   62.522   91.179  197.460   92.072  187.959   77.299 9.501129 120.2182 
1 1 1   19   17    1 o  287.877   76.447  249.847  112.589  281.237  196.855  234.587  137.255  291.170  115.763  284.585   99.878 6.585114 152.8941 
1 1 1   19   17    2 o  240.388   87.176  148.983  105.437  148.983  105.437   0.0000   0.0000  240.388   87.176  ?   ?       ?      ? 
1 1 1   19   17    3 o  211.056   57.594  100.226   68.498   67.699   98.969  130.134   94.900  193.475   80.143  228.637   82.737 -35.16203 115.1887 
1 1 1   19   17    4 o  291.284   67.097  201.877   89.117  104.793  109.423  393.125  153.580  215.110   86.051  367.457  102.973 -152.3474 134.1946 
1 1 1   19   17    5 o  318.130   65.591  286.159   87.274  307.820  110.007  249.371  143.361  346.993   82.456  289.266  102.028 57.72736 131.1825 
1 1 1   19   17    6 o  151.443   47.389  -0.0064   54.228   34.358   86.506 -22.2523   69.601  170.556   72.997  132.331   60.450 38.22556 94.77779 
1 1 1   19   17    7 o  188.100   54.594   58.030   64.818   21.306   86.556  104.917   97.802  164.175   71.638  212.025   82.402 -47.84976 109.1880 
1 1 1   19   17    8 o  203.668   55.254   95.741   60.629  107.829   72.222   66.885  111.579  211.389   72.548  195.947   83.359 15.44205 110.5075 
1 1 1   19   17   10 o  265.577   97.222  211.138  131.583  211.138  131.583   0.0000   0.0000  265.577   97.222  ?   ?       ?      ? 
1 1 1   19   17   11 o  266.114   98.538  219.804  135.796  219.804  135.796   0.0000   0.0000  266.114   98.538  ?   ?       ?      ? 
1 1 1   19   17   12 o  289.623  100.780  273.016  139.603  273.016  139.603   0.0000   0.0000  289.623  100.780  ?   ?       ?      ? 
1 1 1   19   17   13 o  197.769   83.470   90.956  110.425   90.956  110.425   0.0000   0.0000  197.769   83.470  ?   ?       ?      ? 
1 1 1   19   17   14 o  222.376   90.993  151.890  125.557  151.890  125.557   0.0000   0.0000  222.376   90.993  ?   ?       ?      ? 
1 1 1   19   17   15 o  234.856   91.187  182.465  119.679  182.465  119.679   0.0000   0.0000  234.856   91.187  ?   ?       ?      ? 
1 1 1   19   17   16 o  184.757   57.279   75.324   74.304   68.170   88.344   92.618  137.362  175.699   74.435  193.816   87.080 -18.11693 114.5578 
1 1 1   19   17   17 o  166.194   52.011   47.662   63.550   67.844   70.433 -40.7119  147.388  170.482   68.740  161.906   78.073 8.576263 104.0223 
1 1 1   19   17   18 o  207.938   62.688  131.678   81.052  128.621   89.034  146.473  195.855  207.945   79.184  207.930   97.205 0.1483154E-01 125.3753 
1 1 1   19   17   19 o  189.913   77.557   99.685   90.989   99.685   90.989   0.0000   0.0000  189.913   77.557  ?   ?       ?      ? 
1 1 1   19   17   20 o  165.219   73.278   49.088   94.046   49.088   94.046   0.0000   0.0000  165.219   73.278  ?   ?       ?      ? 
1 1 1   19   17   21 o  125.439   60.583 -64.0276   89.590 -64.0276   89.590   0.0000   0.0000  125.439   60.583  ?   ?       ?      ? 
1 1 1   19   18    0 o  242.706   62.553  157.800   79.387  191.001  103.971  111.380  122.938  266.109   86.979  219.303   89.922 46.80673 125.1056 
1 1 1   19   18    1 o  208.307   60.859   83.550   84.292   14.088  123.243  144.604  115.543  181.332   81.882  235.281   90.059 -53.94904 121.7179 
1 1 1   19   18    2 f  151.799   66.946   8.2992   77.418   0.0000   0.0000   8.2992   77.418  ?   ?   151.799   66.946      ?      ? 
1 1 1   19   18    3 o  229.658   67.725  128.484   94.490  104.502  197.958  135.560  107.530  229.545  103.702  229.772   87.135 -0.2275391 135.4500 
1 1 1   19   18    4 o  179.620   52.766   51.715   62.406   81.594   84.202   15.301   92.957  194.327   76.199  164.912   73.011 29.41487 105.5313 
1 1 1   19   18    5 o  262.966   63.757  155.012   70.490  107.727   80.942  303.463  143.418  210.677   76.384  315.256  102.104 -104.5791 127.5136 
1 1 1   19   18    6 o  200.791   63.031   60.365   88.579   72.952  179.674   56.324  101.811  215.325   97.882  186.257   79.441 29.06775 126.0621 
1 1 1   19   18    7 o  249.215   66.893  179.913   89.783  187.308  119.489  170.323  136.066  254.984   92.752  243.447   96.415 11.53647 133.7869 
1 1 1   19   18    8 o  248.532   68.026  169.979   89.319  132.801  108.960  246.140  155.951  223.978   86.995  273.086  104.605 -49.10893 136.0525 
1 1 1   19   18    9 o  206.329   64.539   84.986   98.610   87.503  118.984   79.466  176.215  201.671   85.944  210.987   96.305 -9.315918 129.0777 
1 1 1   19   18   10 o  317.431   79.286  393.344  132.341  465.387  171.589  287.567  207.917  368.000  110.568  266.861  113.665 101.1391 158.5720 
1 1 1   19   18   11 o  200.829   62.860   88.835   95.604   92.284  119.326   82.651  159.767  198.924   85.452  202.734   92.213 -3.809860 125.7190 
1 1 1   19   18   12 o  187.726   59.473   61.842   85.758   45.299  105.466   94.124  147.333  174.473   77.480  200.979   90.249 -26.50536 118.9461 
1 1 1   19   18   13 o  209.862   61.187  130.896   85.151  166.679  104.980   62.079  145.585  231.083   86.426  188.641   86.637 42.44202 122.3744 
1 1 1   19   18   14 o  158.153   49.986   29.834   60.556   38.318   72.362   10.008  110.617  155.064   66.576  161.242   74.578 -6.178360 99.97123 
1 1 1   19   18   15 o  156.117   50.097   14.854   58.107  -4.5336   67.634   69.494  113.542  131.268   59.819  180.965   80.377 -49.69667 100.1933 
1 1 1   19   18   16 o  160.713   52.324   12.556   62.730  -9.2362   71.200   88.145  132.605  131.703   60.525  189.723   85.370 -58.01990 104.6486 
1 1 1   19   18   17 o  161.263   52.048   30.300   67.744   46.243   76.424 -28.1691  146.353  159.389   68.425  163.137   78.447 -3.748138 104.0957 
1 1 1   19   18   18 o  198.545   62.648  118.378  105.544  173.007  127.035  -3.3660  189.644  219.712   90.887  177.379   86.248 42.33284 125.2964 
1 1 1   19   18   19 o  170.016   78.981   39.162  126.088   39.162  126.088   0.0000   0.0000  170.016   78.981  ?   ?       ?      ? 
1 1 1   19   18   20 o  185.512   86.259   93.912  150.962   93.912  150.962   0.0000   0.0000  185.512   86.259  ?   ?       ?      ? 
1 1 1   19   19    0 o  161.901   52.172  -4.9686   73.081 -25.7686  106.315   13.664  100.623  156.892   72.759  166.910   74.793 -10.01830 104.3446 
1 1 1   19   19    1 o  311.842   73.381  293.780   99.900  249.731  122.116  382.910  173.705  290.836   94.218  332.849  112.526 -42.01288 146.7624 
1 1 1   19   19    2 o  193.793   55.172   59.784   68.490  153.172  102.701 -15.0140   91.913  236.700   86.007  150.886   69.128 85.81398 110.3447 
1 1 1   19   19    3 o  226.427   61.810  128.157   73.019  104.639   88.166  179.517  130.289  206.487   78.757  246.368   95.286 -39.88124 123.6204 
1 1 1   19   19    4 o  233.183   60.884   95.681   69.031   28.943   79.830  293.503  137.441  160.704   69.466  305.662  100.009 -144.9575 121.7674 
1 1 1   19   19    5 o  201.426   84.999   89.681  114.474   0.0000   0.0000   89.681  114.474  ?   ?   201.426   84.999      ?      ? 
1 1 1   19   19    6 o  247.061   69.585  182.057  111.108   47.816  161.700  302.126  152.927  197.790   91.012  296.331  105.285 -98.54099 139.1694 
1 1 1   19   19    7 o  219.146   66.987  131.575  105.096  121.864  150.778  140.750  146.567  215.895   94.369  222.398   95.097 -6.502533 133.9734 
1 1 1   19   19    8 o  159.718   54.691 -83.7555   86.530 -131.7283  100.998   48.631  167.780  124.078   60.884  195.358   90.871 -71.28020 109.3814 
1 1 1   19   19    9 o  154.062   52.409 -62.9612   89.525 -58.7573  112.284 -70.2970  148.325  146.458   69.967  161.665   78.049 -15.20699 104.8186 
1 1 1   19   19   10 o  191.971   60.465   78.976   89.142   71.849  111.679   91.489  147.981  185.389   81.121  198.554   89.685 -13.16487 120.9296 
1 1 1   19   19   11 o  145.440   49.090 -55.2412   72.750 -95.7210   90.643   18.042  121.960  122.028   59.401  168.851   78.172 -46.82288 98.18030 
1 1 1   19   19   12 o  211.885   61.743  142.153   84.115  161.649  103.284  103.754  144.950  225.840   85.457  197.930   89.141 27.91031 123.4869 
1 1 1   19   19   13 o  132.790   44.339 -22.5829   54.114  -8.7263   61.780 -68.2531  112.160  124.798   56.987  140.781   67.942 -15.98289 88.67737 
1 1 1   19   19   14 o  151.750   49.040   2.8745   56.725 -22.3810   66.210   72.567  109.987  122.739   57.089  180.761   79.753 -58.02245 98.08016 
1 1 1   19   19   15 o  195.015   59.262  108.456   82.068  127.851   98.682   64.952  147.791  205.258   81.850  184.772   85.723 20.48581 118.5232 
1 1 1   19   19   16 o  203.974   61.605  134.404   88.769  155.999  103.458   74.143  172.828  218.642   84.812  189.307   89.372 29.33510 123.2095 
1 1 1   19   19   17 o  180.520   58.935   63.144   86.092   51.083   98.186  103.255  179.053  167.087   74.447  193.953   91.383 -26.86580 117.8692 
1 1 1   19   19   18 o  225.637   73.877  282.914  160.947  386.581  215.238  151.426  242.404  251.172  111.155  200.101   97.346 51.07118 147.7550 
1 1 1   19   20    0 o  182.488   60.811   21.678   93.318 -63.6813  244.822   36.187  100.938  193.720   95.003  171.257   75.938 22.46262 121.6226 
1 1 1   19   20    1 o  293.804   86.119  338.353  139.338  660.474  300.464  250.099  157.271  325.156  137.486  262.451  103.747 62.70450 172.2375 
1 1 1   19   20    2 o  202.723   64.832   86.804  109.431 -52.0720  237.844  124.097  123.251  193.059   94.460  212.388   88.826 -19.32874 129.6642 
1 1 1   19   20    3 o  182.137   60.676   20.588   97.532 -38.8877  226.771   34.086  108.034  191.737   93.470  172.537   77.393 19.19994 121.3523 
1 1 1   19   20    4 o  211.251   67.856  109.852  109.385  154.394  230.850   96.955  124.215  222.734  104.572  199.768   86.501 22.96523 135.7121 
1 1 1   19   20    5 o  224.675   66.204  160.233   97.279  191.261  135.769  127.499  139.450  237.959   95.618  211.391   91.593 26.56810 132.4087 
1 1 1   19   20    6 o  153.714   51.425 -32.3088   81.367 -34.3768  110.074 -29.8175  120.814  150.428   71.112  157.000   74.304 -6.572235 102.8493 
1 1 1   19   20    7 o  303.521   81.146  381.738  125.145  314.707  151.640  524.889  221.601  286.017  104.420  321.024  124.238 -35.00745 162.2916 
1 1 1   19   20    8 o  247.018   69.853  237.922  110.397  293.984  139.313  143.296  180.994  282.022  100.459  212.014   97.087 70.00787 139.7064 
1 1 1   19   20    9 f  189.286   60.078   72.182   88.766   31.926  111.515  141.803  146.650  168.274   76.732  210.299   92.465 -42.02498 120.1568 
1 1 1   19   20   10 o  256.546   71.107  267.148  106.373  282.227  133.009  240.388  177.186  276.543   98.197  236.549  102.869 39.99310 142.2136 
1 1 1   19   20   11 o  199.434   64.297  111.303  110.015  134.812  164.828   92.416  147.740  205.786   93.625  193.081   88.151 12.70435 128.5932 
1 1 1   19   20   12 o  207.388   66.376  140.996  117.309   88.945  175.676  182.884  157.594  194.611   91.322  220.165   96.350 -25.55411 132.7521 
1 1 1   19   20   13 o  151.240   51.805 -61.0887   91.459 -34.7870  145.915 -78.1084  117.377  161.678   77.892  140.803   68.322 20.87564 103.6100 
1 1 1   19   20   14 o  197.775   64.285  112.962  115.407   62.266  173.753  152.983  154.380  186.854   88.628  208.696   93.141 -21.84251 128.5699 
1 1 1   19   20   15 o  165.331   56.808 -34.3400  116.064 -11.0440  157.185 -62.2688  172.106  167.602   80.771  163.061   79.903 4.541199 113.6153 
1 1 1   19   20   16 f  161.292   56.296 -72.9341  114.678 -126.2974  139.441   38.588  201.580  140.388   69.393  182.196   88.666 -41.80826 112.5928 
1 1 1   19   21    0 o  180.803   62.341  -7.9404   89.670  194.697  253.789 -36.8457   95.852  221.280  105.566  140.326   66.343 80.95419 124.6817 
1 1 1   19   21    1 o  198.590   65.468   86.521  110.627  119.774  241.152   77.657  124.501  209.166  100.610  188.013   83.796 21.15277 130.9357 
1 1 1   19   21    2 o  199.991   64.447  102.876  112.664  -1.5305  223.580  138.410  130.434  189.188   92.356  210.794   89.912 -21.60558 128.8941 
1 1 1   19   21    3 o  187.758   60.820   61.948  106.302 -117.5431  211.246  122.812  123.011  171.223   84.775  204.293   87.232 -33.06949 121.6394 
1 1 1   19   21    4 o  217.516   69.862  148.208  118.275  286.012  217.939   90.678  140.816  241.398  108.956  193.634   87.473 47.76393 139.7247 
1 1 1   19   21    5 o  185.310   61.351   50.108  112.557 -34.4657  195.737   91.891  137.579  177.556   86.619  193.064   86.907 -15.50771 122.7019 
1 1 1   19   21    6 o  204.111   64.624  118.619  102.680   79.216  129.899  184.244  167.638  187.418   84.399  220.803   97.887 -33.38576 129.2478 
1 1 1   19   21    7 o  191.541   61.867   86.390  100.143   83.192  123.167   92.629  172.016  187.279   83.416  195.803   91.389 -8.524368 123.7343 
1 1 1   19   21    8 o  182.639   59.093   62.731   92.239   49.283  117.100   84.716  149.722  174.273   79.143  191.005   87.773 -16.73161 118.1855 
1 1 1   19   21    9 o  233.532   68.671  214.384  104.700  225.897  130.480  193.568  175.446  246.195   95.317  220.870   98.881 25.32474 137.3421 
1 1 1   19   21   10 o  151.954   51.340 -36.3132   83.501 -62.1619  108.659   0.9674  130.493  139.635   67.258  164.274   77.586 -24.63902 102.6805 
1 1 1   19   21   11 o  164.776   53.187   32.116   76.284   52.752   97.311  -0.7817  122.868  168.948   74.755  160.604   75.679 8.343750 106.3748 
1 1 1   19   21   12 o  154.938   50.517   14.284   69.796   24.305   87.437  -3.3154  115.877  153.327   69.127  156.548   73.685 -3.221268 101.0344 
1 1 1   19   21   13 o  217.151   64.546  176.287   93.974  189.002  116.583  152.699  158.791  228.782   89.674  205.521   92.861 23.26108 129.0912 
1 1 1   19   21   14 o  197.725   60.316  122.826   98.972  202.024  116.249 -85.8060  188.679  233.319   90.070  162.130   80.245 71.18837 120.6318 
1 1 1   19   22    0 o  175.813   87.920 -135.7000  251.555 -135.7000  251.555   0.0000   0.0000  175.813   87.920  ?   ?       ?      ? 
1 1 1   19   22    1 o  197.721   96.248   74.026  237.976   74.026  237.976   0.0000   0.0000  197.721   96.248  ?   ?       ?      ? 
1 1 1   19   22    2 o  189.588   92.215   32.453  217.277   32.453  217.277   0.0000   0.0000  189.588   92.215  ?   ?       ?      ? 
1 1 1   19   22    3 o  175.864   60.005   0.7027  114.274   25.952  211.688  -9.6811  135.754  187.807   91.273  163.921   77.922 23.88553 120.0108 
1 1 1   19   22    4 o  192.852   62.368   87.477  104.475   42.476  139.782  144.432  157.257  177.710   82.756  207.995   93.331 -30.28430 124.7361 
1 1 1   19   22    5 o  152.670   52.159 -54.7651   92.781 -58.1968  121.400 -49.9459  143.866  147.117   70.920  158.223   76.502 -11.10611 104.3180 
1 1 1   19   22    6 o  197.921   64.061  110.365  109.124  110.151  134.826  110.772  185.808  196.443   87.403  199.398   93.680 -2.955383 128.1222 
1 1 1   19   22    7 o  180.316   60.209   18.883  112.721  142.887  163.785 -92.7079  155.371  206.102   93.598  154.529   75.763 51.57346 120.4187 
1 1 1   19   22    8 o  153.984   52.229 -74.1422   96.336   60.092  128.264 -247.8593  145.913  178.657   81.782  129.312   64.987 49.34537 104.4588 
1 1 1   19   22    9 o  171.113   55.950   21.180   92.833  112.808  125.545 -89.3582  137.892  194.985   85.647  147.240   72.017 47.74535 111.9008 
1 1 1   19   22   10 o  120.034   40.935 -69.4197   57.997 -34.9443   79.553 -108.5318   84.734  127.408   60.298  112.661   55.379 14.74739 81.87012 
1 1 1   19   22   11 o  182.905   55.708   90.825   72.369  103.513  100.138   76.952  104.707  188.502   79.519  177.307   78.041 11.19467 111.4170 
1 1 1   19   22   12 o  216.158   60.853  159.502   85.917  258.571  118.297   48.908  124.989  262.136   92.657  170.180   78.910 91.95642 121.7055 
1 1 1   19   23    0 o  172.864   58.107   13.457  109.052 -81.9082  182.991   65.979  135.800  164.231   80.856  181.497   83.474 -17.26582 116.2136 
1 1 1   19   23    1 o  175.652   58.573   30.523  106.522 -51.8970  177.105   77.238  133.335  166.956   81.651  184.349   84.001 -17.39294 117.1453 
1 1 1   19   23    2 o  196.061   64.203  109.973  116.569   87.791  185.113  124.550  150.057  192.591   91.387  199.531   90.202 -6.939835 128.4060 
1 1 1   19   23    3 o  204.726   66.332  123.380  115.637   41.470  146.528  258.625  188.285  176.756   83.090  232.695  103.421 -55.93915 132.6649 
1 1 1   19   23    4 o  186.675   61.949   72.325  109.787   51.189  135.853  112.114  186.393  176.620   82.026  196.729   92.857 -20.10899 123.8984 
1 1 1   19   23    5 o  196.756   87.350  120.323  133.947  120.323  133.947   0.0000   0.0000  196.756   87.350  ?   ?       ?      ? 
1 1 1   19   23    6 o  147.553   70.303 -27.3375  111.804 -27.3375  111.804   0.0000   0.0000  147.553   70.303  ?   ?       ?      ? 
1 1 1   19   23    7 o  146.877   69.248 -12.7267  103.128 -12.7267  103.128   0.0000   0.0000  146.877   69.248  ?   ?       ?      ? 
1 1 1   19   23    8 o  165.962   75.111   49.054  104.384   49.054  104.384   0.0000   0.0000  165.962   75.111  ?   ?       ?      ? 
1 1 1   19   24    0 o  183.693   61.025   82.832  112.049   55.344  166.500  105.587  151.485  178.687   85.318  188.700   87.277 -10.01324 122.0505 
1 1 1   19   24    1 o  206.118   65.532  152.837  117.346   16.223  169.337  279.049  162.762  171.731   83.025  240.504  101.414 -68.77324 131.0646 
1 1 1   19   24    2 o  199.270   64.568  146.111  112.256  128.724  146.683  170.688  174.399  194.579   88.447  203.961   94.093 -9.381821 129.1366 
1 1 1   20    0    0 o  509.005   26.719  518.112   74.105  518.112   74.105  518.112   74.105  509.005   37.786  509.005   37.786 0.000000 0.000000 
1 1 1   20    0    1 o  743.036   21.529  1088.71   87.947  1088.71   87.947  1088.71   87.947  743.036   30.447  743.036   30.447 0.000000 0.000000 
1 1 1   20    0    2 o  244.347   16.086  119.853   21.260  119.853   21.260  119.853   21.260  244.347   22.749  244.347   22.749 0.000000 0.000000 
1 1 1   20    0    3 o  561.012   19.009  621.027   58.545  621.027   58.545  621.027   58.545  561.012   26.882  561.012   26.882 0.000000 0.000000 
1 1 1   20    0    4 o  402.800   17.446  321.300   38.448  321.300   38.448  321.300   38.448  402.800   24.672  402.800   24.672 -0.000000 0.000000 
1 1 1   20    0    5 o  539.104   19.131  573.926   56.592  573.926   56.592  573.926   56.592  539.104   27.056  539.104   27.056 0.000000 0.000000 
1 1 1   20    0    6 o  216.278   15.974   94.503   18.590   94.503   18.590   94.503   18.590  216.278   22.591  216.278   22.591 -0.000000 0.000000 
1 1 1   20    0    8 f   41.665   17.010   4.2019   6.3209   4.2019   6.3209   4.2019   6.3209   41.665   24.056   41.665   24.056 -0.000000 0.000000 
1 1 1   20    0    9 o  182.631   15.209   67.935   14.772   67.935   14.772   67.935   14.772  182.631   21.509  182.631   21.509 0.000000 0.000000 
1 1 1   20    0   10 o  522.779   25.022  545.212   71.432  545.212   71.432  545.212   71.432  522.779   35.386  522.779   35.386 -0.000000 0.000000 
1 1 1   20    0   11 o  377.805   22.070  286.158   45.294  286.158   45.294  286.158   45.294  377.805   31.212  377.805   31.212 0.000000 0.000000 
1 1 1   20    0   12 f  753.091   30.997  1134.99  127.829  1134.99  127.829  1134.99  127.829  753.091   43.836  753.091   43.836 0.000000 0.000000 
1 1 1   20    0   13 o  793.746   29.934  1259.48  130.276  1259.48  130.276  1259.48  130.276  793.746   42.333  793.746   42.333 -0.000000 0.000000 
1 1 1   20    0   16 o  294.250   77.745  250.157  117.671  250.157  117.671  250.157  117.671  294.250  109.948  294.250  109.948 0.000000 0.000000 
1 1 1   20    1    0 o  1025.35   37.244  2120.44  149.013  2106.88  209.258  2134.39  212.248  1022.16   52.461  1028.54   52.880 -6.385620 74.48749 
1 1 1   20    1    1 o  178.146   17.046   62.307   11.837   58.240   16.495   66.623   16.995  172.136   24.556  184.156   23.648 -12.02080 34.09141 
1 1 1   20    1    2 o  160.077   17.545   51.090   10.593   41.937   14.639   61.151   15.347  143.658   27.107  176.496   22.283 -32.83864 35.08998 
1 1 1   20    1    3 f  460.337   17.792  416.640   31.954  429.435   45.468  404.155   44.917  467.351   24.931  453.322   25.390 14.02875 35.58376 
1 1 1   20    1    4 o  383.227   17.039  288.635   25.481  290.880   35.979  286.375   36.093  384.737   23.963  381.716   24.230 3.021118 34.07818 
1 1 1   20    1    5 f  838.542   22.836  1389.92   74.726  1391.50  105.729  1388.35  105.627  839.018   32.292  838.066   32.297 0.9520264 45.67121 
1 1 1   20    1    6 o  299.375   16.397  176.126   19.149  180.051   26.963  172.131   27.202  302.774   22.820  295.976   23.551 6.797638 32.79311 
1 1 1   20    1    7 o  222.624   31.342   97.929   27.229   0.0000   0.0000   97.929   27.229  ?   ?   222.624   31.342      ?      ? 
1 1 1   20    1    8 o  295.142   32.422  172.327   37.343   0.0000   0.0000  172.327   37.343  ?   ?   295.142   32.422      ?      ? 
1 1 1   20    1    9 o  182.755   18.431   52.390   11.406   36.549   12.995  105.526   23.800  134.049   25.778  231.461   26.349 -97.41165 36.86188 
1 1 1   20    1   10 o  285.689   20.313  164.672   21.078  171.478   25.817  151.063   36.506  295.393   22.396  275.986   33.895 19.40756 40.62594 
1 1 1   20    1   11 o  237.666   23.917  112.064   22.175  109.233   30.899  115.071   31.842  234.582   33.753  240.751   33.893 -6.169312 47.83315 
1 1 1   20    1   12 o  494.995   25.194  474.102   47.817  416.420   61.059  565.580   76.893  457.580   34.194  532.409   37.009 -74.82895 50.38745 
1 1 1   20    1   13 o  285.482   23.082  161.065   25.517  154.128   33.757  170.314   38.977  278.616   31.047  292.347   34.165 -13.73148 46.16480 
1 1 1   20    1   14 o  232.433   28.363  123.701   23.372  178.437   31.460   56.280   34.916  300.204   26.854  164.663   49.967 135.5410 56.72646 
1 1 1   20    1   15 o  326.418   28.763  230.483   32.964  308.914   45.267  141.928   48.099  393.995   29.441  258.842   49.421 135.1528 57.52564 
1 1 1   20    1   17 o  154.919   70.865 -32.8779   96.073   0.0000   0.0000 -32.8779   96.073  ?   ?   154.919   70.865      ?      ? 
1 1 1   20    2    0 o  999.669   36.653  2003.93  142.459  1902.26  191.763  2129.15  212.813  972.300   50.540  1027.04   53.098 -54.73773 73.30547 
1 1 1   20    2    1 o  369.754   21.288  265.376   28.391  258.559   33.969  281.171   51.708  362.745   23.997  376.762   35.169 -14.01740 42.57547 
1 1 1   20    2    2 o  630.730   19.869  782.769   48.863  760.754   67.423  807.124   70.915  621.465   27.801  639.995   28.394 -18.53009 39.73820 
1 1 1   20    2    3 o  332.580   23.302  217.271   30.243  217.271   30.243   0.0000   0.0000  332.580   23.302  ?   ?       ?      ? 
1 1 1   20    2    4 o  413.088   17.321  334.818   27.896  317.862   38.523  353.510   40.447  402.107   24.550  424.070   24.441 -21.96295 34.64202 
1 1 1   20    2    5 o  190.962   16.054   71.902   11.914   76.653   16.515   66.746   17.205  197.634   21.413  184.290   23.924 13.34413 32.10738 
1 1 1   20    2    6 o  475.037   20.666  393.409   34.896  329.685   40.469  578.188   68.912  409.382   25.331  540.692   32.660 -131.3098 41.33204 
1 1 1   20    2    7 o  398.527   38.968  229.895   30.451  217.944   31.266  450.235  134.252  332.962   24.063  464.093   74.128 -131.1307 77.93587 
1 1 1   20    2    8 o  343.844   35.192  234.495   47.221   0.0000   0.0000  234.495   47.221  ?   ?   343.844   35.192      ?      ? 
1 1 1   20    2    9 o  366.046   21.830  279.285   29.024  314.237   36.535  219.496   47.784  399.796   23.418  332.297   36.849 67.49951 43.66029 
1 1 1   20    2   10 o  345.846   21.230  238.626   26.608  242.540   32.301  230.361   46.933  351.155   23.571  340.536   35.317 10.61923 42.46068 
1 1 1   20    2   11 o  158.043   28.602   51.507   17.229   51.146   21.521   52.150   28.749  157.313   35.855  158.772   44.573 -1.459076 57.20406 
1 1 1   20    2   12 o  464.414   23.772  460.300   39.856  557.970   51.591  315.733   62.766  532.003   24.850  396.825   40.532 135.1777 47.54329 
1 1 1   20    2   13 o  648.422   37.851  842.258   95.778  842.258   95.778   0.0000   0.0000  648.422   37.851  ?   ?       ?      ? 
1 1 1   20    2   14 o  144.582   32.980   44.690   17.660   49.677   18.651   1.4638   54.914  155.223   31.858  133.940   57.756 21.28290 65.95963 
1 1 1   20    2   15 o  603.504   27.924  698.023   61.943  628.951   74.423  853.743  111.745  560.204   34.043  646.805   44.271 -86.60107 55.84717 
1 1 1   20    2   16 o  219.681   70.414  107.464   68.343  107.464   68.343   0.0000   0.0000  219.681   70.414  ?   ?       ?      ? 
1 1 1   20    2   17 o  154.630   70.786 -33.1413   96.106   0.0000   0.0000 -33.1413   96.106  ?   ?   154.630   70.786      ?      ? 
1 1 1   20    2   19 o  347.283   33.598  245.188   45.533  245.188   45.533   0.0000   0.0000  347.283   33.598  ?   ?       ?      ? 
1 1 1   20    2   20 o  118.453   51.853  -0.6991   45.671  -0.6991   45.671   0.0000   0.0000  118.453   51.853  ?   ?       ?      ? 
1 1 1   20    3    0 o  487.216   22.312  473.309   40.296  454.213   67.899  483.691   50.066  478.589   36.356  495.844   25.874 -17.25540 44.62301 
1 1 1   20    3    1 o  308.707   19.292  126.835   18.929   86.466   20.744  327.779   46.281  209.678   25.351  407.736   29.086 -198.0579 38.58387 
1 1 1   20    3    2 o  260.329   17.040  132.004   17.222  115.564   23.232  152.059   25.660  242.461   24.553  278.198   23.636 -35.73776 34.08091 
1 1 1   20    3    3 o  683.314   25.571  909.399   62.895  883.973   75.111  969.062  115.056  669.638   28.743  696.990   42.301 -27.35205 51.14225 
1 1 1   20    3    4 o  718.228   24.863  1013.26   66.420  993.105   81.971  1051.78  113.337  709.522   29.605  726.935   39.953 -17.41278 49.72587 
1 1 1   20    3    5 o  285.378   24.585  182.148   23.279  219.153   29.015  115.282   39.002  334.088   22.255  236.668   43.844 97.41986 49.16918 
1 1 1   20    3    6 o  503.852   21.959  502.856   40.934  505.854   50.534  497.135   69.807  507.042   25.539  500.661   35.729 6.381775 43.91858 
1 1 1   20    3    7 o  246.896   40.822  155.337   23.869  162.165   24.805   69.988   87.696  287.366   22.120  206.426   78.592 80.94044 81.64497 
1 1 1   20    3    8 o  363.198   20.084  163.384   21.530  121.358   23.044  452.055   60.395  248.445   23.768  477.952   32.381 -229.5074 40.16768 
1 1 1   20    3    9 o  383.509   24.410  277.498   35.623  219.162   45.054  374.793   58.185  332.331   34.740  434.686   34.301 -102.3545 48.82023 
1 1 1   20    3   10 o  736.673   30.123  1073.13   86.597  1073.13   86.597   0.0000   0.0000  736.673   30.123  ?   ?       ?      ? 
1 1 1   20    3   11 o  400.106   41.959  321.087   65.514   0.0000   0.0000  321.087   65.514  ?   ?   400.106   41.959      ?      ? 
1 1 1   20    3   12 o  425.063   25.612  391.273   37.230  436.893   44.886  290.685   66.650  470.761   24.433  379.366   45.021 91.39478 51.22339 
1 1 1   20    3   13 o  375.436   23.937  268.208   27.924  260.141   30.989  303.044   64.398  363.472   21.848  387.400   42.597 -23.92792 47.87343 
1 1 1   20    3   14 o  392.747   23.732  304.609   36.374  304.609   36.374   0.0000   0.0000  392.747   23.732  ?   ?       ?      ? 
1 1 1   20    3   15 o  148.752   31.137   45.751   17.495   45.751   17.495   0.0000   0.0000  148.752   31.137  ?   ?       ?      ? 
1 1 1   20    3   16 o   97.280   30.711   9.7384   9.5527   11.381   9.6441 -75.6957   69.560   78.313   26.514  116.248   55.405 -37.93533 61.42259 
1 1 1   20    3   17 o  353.383   54.490  389.237   56.535  422.515   60.113  134.410  166.347  457.409   33.677  249.357  103.647 208.0517 108.9805 
1 1 1   20    3   19 o  361.660   33.754  266.190   47.639  266.190   47.639   0.0000   0.0000  361.660   33.754  ?   ?       ?      ? 
1 1 1   20    3   20 o  151.038   33.646   48.200   19.323   48.200   19.323   0.0000   0.0000  151.038   33.646  ?   ?       ?      ? 
1 1 1   20    3   21 f  154.021   34.303   50.293   20.089   50.293   20.089   0.0000   0.0000  154.021   34.303  ?   ?       ?      ? 
1 1 1   20    3   22 o   81.749   26.664   13.069   9.7727   13.069   9.7727   0.0000   0.0000   81.749   26.664  ?   ?       ?      ? 
1 1 1   20    3   23 o  438.717   26.020  388.250   44.547  388.250   44.547   0.0000   0.0000  438.717   26.020  ?   ?       ?      ? 
1 1 1   20    3   24 o  186.588   23.451   70.074   17.076   70.074   17.076   0.0000   0.0000  186.588   23.451  ?   ?       ?      ? 
1 1 1   20    3   25 o  259.843   35.605  142.462   36.104  142.462   36.104   0.0000   0.0000  259.843   35.605  ?   ?       ?      ? 
1 1 1   20    3   26 o  528.461   39.088  601.918   80.611  601.918   80.611   0.0000   0.0000  528.461   39.088  ?   ?       ?      ? 
1 1 1   20    3   27 o  202.273   36.226   89.078   27.544   89.078   27.544   0.0000   0.0000  202.273   36.226  ?   ?       ?      ? 
1 1 1   20    3   28 o  168.268   36.403   62.446   23.209   62.446   23.209   0.0000   0.0000  168.268   36.403  ?   ?       ?      ? 
1 1 1   20    3   29 o  106.896   32.729   24.537   14.934   24.537   14.934   0.0000   0.0000  106.896   32.729  ?   ?       ?      ? 
1 1 1   20    4    0 o  121.759   27.569   30.349   12.795   0.0000   0.0000   30.349   12.795  ?   ?   121.759   27.569      ?      ? 
1 1 1   20    4    1 o  463.403   21.739  353.521   33.786  296.834   37.875  574.326   74.751  388.522   24.981  538.284   35.585 -149.7624 43.47830 
1 1 1   20    4    2 o  306.810   22.503  179.024   23.819  171.527   27.561  201.153   47.347  295.435   23.905  318.186   38.131 -22.75186 45.00512 
1 1 1   20    4    3 o  556.856   22.510  569.006   44.902  510.134   52.685  725.288   85.840  509.062   26.521  604.651   36.379 -95.58865 45.01999 
1 1 1   20    4    4 o  302.063   19.420  143.268   19.946  110.468   22.454  265.989   43.433  237.052   24.273  367.074   30.321 -130.0218 38.83971 
1 1 1   20    4    5 o  368.536   20.670  255.775   27.363  238.484   32.355  299.196   51.273  348.337   23.802  388.735   33.799 -40.39877 41.33901 
1 1 1   20    4    6 o  529.665   22.439  522.525   42.712  477.450   50.368  637.920   80.590  492.455   26.210  566.875   36.430 -74.41983 44.87885 
1 1 1   20    4    7 o  589.261   57.350  693.353   60.968  686.234   62.924  802.550  246.436  590.091   27.325  588.430  111.398 1.660645 114.7007 
1 1 1   20    4    8 o  938.292   29.386  1705.49   99.782  1621.03  119.170  1903.58  182.505  904.347   33.768  972.238   48.103 -67.89093 58.77198 
1 1 1   20    4    9 o  587.334   24.566  680.256   52.004  672.880   62.423  696.984   94.014  584.078   27.387  590.591   40.792 -6.512939 49.13271 
1 1 1   20    4   10 o  466.447   43.440  436.829   79.073   0.0000   0.0000  436.829   79.073  ?   ?   466.447   43.440      ?      ? 
1 1 1   20    4   11 o  373.820   28.307  283.154   40.118  295.311   51.705  264.764   63.594  385.286   34.389  362.355   44.973 22.93103 56.61365 
1 1 1   20    4   12 o  527.161   42.467  559.981   87.362   0.0000   0.0000  559.981   87.362  ?   ?   527.161   42.467      ?      ? 
1 1 1   20    4   13 o  234.122   38.986  139.054   21.896  144.800   22.773   68.708   79.677  271.153   21.521  197.091   74.942 74.06224 77.97124 
1 1 1   20    4   14 o  165.484   30.090   77.090   16.026   85.140   16.580 -37.2719   62.490  207.917   20.435  123.051   56.605 84.86587 60.18066 
1 1 1   20    4   15 o  192.583   35.738   96.535   18.280  101.777   18.819   9.0395   76.885  227.101   21.235  158.064   68.249 69.03659 71.47612 
1 1 1   20    4   16 o  178.880   53.014   36.019   62.739   58.144   79.857   0.3412  101.406  186.086   73.811  171.674   76.119 14.41151 106.0287 
1 1 1   20    4   18 o  269.719   31.958  147.104   33.637  147.104   33.637   0.0000   0.0000  269.719   31.958  ?   ?       ?      ? 
1 1 1   20    4   19 o  492.141   36.653  497.068   70.394  497.068   70.394   0.0000   0.0000  492.141   36.653  ?   ?       ?      ? 
1 1 1   20    4   21 f  236.972   95.527  147.643  135.984  147.643  135.984   0.0000   0.0000  236.972   95.527  ?   ?       ?      ? 
1 1 1   20    4   22 o  247.025   97.058  177.439  136.867  177.439  136.867   0.0000   0.0000  247.025   97.058  ?   ?       ?      ? 
1 1 1   20    4   23 o  156.328   71.884 -10.8711  100.641 -10.8711  100.641   0.0000   0.0000  156.328   71.884  ?   ?       ?      ? 
1 1 1   20    4   24 o  107.189   47.396  -1.7343   39.052  -1.7343   39.052   0.0000   0.0000  107.189   47.396  ?   ?       ?      ? 
1 1 1   20    4   25 o  176.378   51.031   73.456   37.127   73.456   37.127   0.0000   0.0000  176.378   51.031  ?   ?       ?      ? 
1 1 1   20    4   26 o  314.515   42.904  217.494   52.659  217.494   52.659   0.0000   0.0000  314.515   42.904  ?   ?       ?      ? 
1 1 1   20    4   27 o   99.321   41.897   8.3053   27.796   8.3053   27.796   0.0000   0.0000   99.321   41.897  ?   ?       ?      ? 
1 1 1   20    4   28 o   92.381   39.338   5.3453   24.893   5.3453   24.893   0.0000   0.0000   92.381   39.338  ?   ?       ?      ? 
1 1 1   20    4   29 o  454.178   36.806  446.203   65.234  446.203   65.234   0.0000   0.0000  454.178   36.806  ?   ?       ?      ? 
1 1 1   20    5    0 o  368.442   20.412  225.393   26.285  179.537   30.077  373.622   54.075  302.092   25.513  434.793   31.870 -132.7015 40.82439 
1 1 1   20    5    1 o  564.280   26.555  614.410   57.630  508.877   74.722  769.356   90.541  506.103   37.834  622.458   37.274 -116.3553 53.11032 
1 1 1   20    5    2 o  356.336   24.741  260.432   29.833  270.292   34.862  233.458   57.660  370.820   24.091  341.851   43.222 28.96851 49.48294 
1 1 1   20    5    3 o  296.680   21.617  118.682   18.890   95.626   20.229  275.711   52.792  220.598   23.498  372.763   36.291 -152.1644 43.23475 
1 1 1   20    5    4 o  303.073   20.892  145.309   21.010  118.211   23.400  258.013   47.721  245.188   24.456  360.959   33.878 -115.7716 41.78316 
1 1 1   20    5    5 o  307.482   21.770  162.921   22.748  141.806   25.742  238.178   48.599  268.520   24.566  346.444   35.947 -77.92426 43.53962 
1 1 1   20    5    6 o  615.286   24.426  753.360   55.013  758.888   67.231  742.161   95.702  620.435   27.768  610.137   40.194 10.29761 48.85281 
1 1 1   20    5    7 o  339.247   25.895  234.703   28.080  239.486   31.864  218.074   59.407  349.019   23.395  329.475   46.204 19.54468 51.78942 
1 1 1   20    5    8 o  749.335   30.366  1110.14   88.796  1110.14   88.796   0.0000   0.0000  749.335   30.366  ?   ?       ?      ? 
1 1 1   20    5    9 o  203.481   27.895   69.783   15.824   63.909   16.998  107.952   43.331  180.187   24.174  226.775   50.282 -46.58801 55.79078 
1 1 1   20    5   10 o  313.043   24.868  166.878   23.448  152.898   25.516  242.771   59.451  278.696   23.462  347.389   43.854 -68.69257 49.73547 
1 1 1   20    5   11 o  113.071   31.006   16.190   10.045   16.181   10.279   16.380   47.329   90.062   27.063  136.080   55.795 -46.01761 62.01244 
1 1 1   20    5   12 o  230.203   75.759  113.792   78.827   0.0000   0.0000  113.792   78.827  ?   ?   230.203   75.759      ?      ? 
1 1 1   20    5   13 o  426.930   53.410  404.533   57.875  405.290   62.175  399.618  158.372  449.785   35.422  404.075  100.775 45.71048 106.8196 
1 1 1   20    5   14 o   95.352   28.464   8.8381   7.1998   9.0099   7.2976   2.5527   44.140   69.348   23.062  121.357   52.047 -52.00861 56.92763 
1 1 1   20    5   15 o  200.919   39.031   87.176   17.418   88.380   17.825   61.684   82.002  211.516   21.595  190.323   75.016 21.19261 78.06203 
1 1 1   20    5   16 o  190.477   41.719   80.604   23.493   84.532   24.092   4.6048  105.973  205.374   30.061  175.580   77.834 29.79323 83.43716 
1 1 1   20    5   17 o  273.680   45.787  243.410   41.823  266.510   43.348 -67.8397  159.116  363.938   30.521  183.422   86.337 180.5156 91.57337 
1 1 1   20    5   18 o  215.485   64.102   89.343   90.224  120.183  103.028 -12.1099  186.866  225.564   85.351  205.406   95.663 20.15788 128.2040 
1 1 1   20    5   20 o  315.396  105.119  303.819  151.589  303.819  151.589   0.0000   0.0000  315.396  105.119  ?   ?       ?      ? 
1 1 1   20    5   21 o  262.334   95.111  197.535  125.492  197.535  125.492   0.0000   0.0000  262.334   95.111  ?   ?       ?      ? 
1 1 1   20    5   22 o  467.734  170.665  1341.24  404.990  1341.24  404.990   0.0000   0.0000  467.734  170.665  ?   ?       ?      ? 
1 1 1   20    5   23 o  325.398  116.013  412.845  185.833  412.845  185.833   0.0000   0.0000  325.398  116.013  ?   ?       ?      ? 
1 1 1   20    5   24 o  385.510  151.790  1041.70  335.419  1041.70  335.419   0.0000   0.0000  385.510  151.790  ?   ?       ?      ? 
1 1 1   20    5   25 o  109.228   52.657 -66.7255   66.937 -66.7255   66.937   0.0000   0.0000  109.228   52.657  ?   ?       ?      ? 
1 1 1   20    5   26 o  283.652   46.539  180.587   51.515  180.587   51.515   0.0000   0.0000  283.652   46.539  ?   ?       ?      ? 
1 1 1   20    5   27 o  372.364   41.514  303.739   60.324  303.739   60.324   0.0000   0.0000  372.364   41.514  ?   ?       ?      ? 
1 1 1   20    5   28 o  161.435   55.315   63.289   41.981   63.289   41.981   0.0000   0.0000  161.435   55.315  ?   ?       ?      ? 
1 1 1   20    6    0 o  630.553   24.416  741.718   54.618  683.405   63.880  900.227  105.319  588.868   27.798  672.238   40.147 -83.37024 48.83140 
1 1 1   20    6    1 o  471.561   26.446  438.760   48.368  416.109   64.301  468.278   73.403  457.955   35.980  485.168   38.769 -27.21335 52.89286 
1 1 1   20    6    2 o  352.926   21.569  211.303   25.919  180.430   29.311  322.024   55.508  302.874   24.799  402.977   35.297 -100.1032 43.13792 
1 1 1   20    6    3 o  424.616   27.058  406.843   39.013  530.647   50.239  218.765   61.921  519.395   24.786  329.838   48.107 189.5564 54.11673 
1 1 1   20    6    4 o  323.665   31.854  223.297   28.973  229.221   32.039  196.714   67.873  341.430   24.046  305.900   58.995 35.53036 63.70751 
1 1 1   20    6    5 o  439.215   25.508  384.752   38.021  386.538   44.098  379.577   75.059  443.126   25.501  435.304   44.185 7.822571 51.01604 
1 1 1   20    6    6 o  462.605   23.867  410.251   38.252  394.674   44.411  455.016   75.287  447.728   25.418  477.482   40.405 -29.75406 47.73492 
1 1 1   20    6    7 o  391.273   25.477  299.982   33.170  296.040   37.938  312.776   68.342  387.755   25.072  394.791   44.360 -7.036438 50.95498 
1 1 1   20    6    8 o  258.571   38.100  107.987   21.073  102.631   21.822  181.942   81.094  228.311   24.493  288.830   72.156 -60.51852 76.19953 
1 1 1   20    6    9 o  481.885   25.557  457.838   48.061  457.838   48.061   0.0000   0.0000  481.885   25.557  ?   ?       ?      ? 
1 1 1   20    6   10 o  259.994   42.054  152.963   24.483  155.557   25.450  120.761   89.659  281.052   23.205  238.936   80.843 42.11589 84.10751 
1 1 1   20    6   11 o  195.597   35.560   94.222   19.286   99.621   20.116   32.831   67.833  224.848   22.926  166.346   67.324 58.50282 71.12004 
1 1 1   20    6   12 o  525.564   26.222  546.631   53.780  546.631   53.780   0.0000   0.0000  525.564   26.222  ?   ?       ?      ? 
1 1 1   20    6   14 o  224.216   41.701  115.309   29.513  120.359   31.595   80.738   82.664  244.975   33.050  203.458   76.575 41.51689 83.40237 
1 1 1   20    6   15 o  322.241   49.197  297.398   45.880  323.644   49.386  131.986  123.982  401.620   31.511  242.861   93.211 158.7585 98.39340 
1 1 1   20    6   16 f  205.229   45.382   82.055   24.029   82.297   24.621   77.207  110.234  202.256   31.194  208.201   85.234 -5.945175 90.76329 
1 1 1   20    6   17 o  257.418   64.042  131.619   67.229   96.539   75.157  272.085  150.393  206.979   73.780  307.856  104.700 -100.8769 128.0846 
1 1 1   20    6   18 o  222.142   55.060   85.488   22.641   85.142   22.786  112.431  201.172  205.752   28.379  238.533  106.400 -32.78078 110.1197 
1 1 1   20    6   20 o  329.760  109.850  347.294  165.547  347.294  165.547   0.0000   0.0000  329.760  109.850  ?   ?       ?      ? 
1 1 1   20    6   21 o  162.374   72.580   8.9698   94.135   8.9698   94.135   0.0000   0.0000  162.374   72.580  ?   ?       ?      ? 
1 1 1   20    6   22 o  201.014   84.839   87.831  114.075   87.831  114.075   0.0000   0.0000  201.014   84.839  ?   ?       ?      ? 
1 1 1   20    6   23 o  247.254   98.020  205.894  140.764  205.894  140.764   0.0000   0.0000  247.254   98.020  ?   ?       ?      ? 
1 1 1   20    6   24 o  299.590  113.404  392.600  181.928  392.600  181.928   0.0000   0.0000  299.590  113.404  ?   ?       ?      ? 
1 1 1   20    6   25 o  138.316   56.509   33.042   48.328   33.042   48.328   0.0000   0.0000  138.316   56.509  ?   ?       ?      ? 
1 1 1   20    6   26 o  270.416   60.551  183.048   62.308  183.048   62.308   0.0000   0.0000  270.416   60.551  ?   ?       ?      ? 
1 1 1   20    6   27 o  132.439   52.965   32.121   41.442   32.121   41.442   0.0000   0.0000  132.439   52.965  ?   ?       ?      ? 
1 1 1   20    6   28 o  132.872   51.079   36.219   37.268   36.219   37.268   0.0000   0.0000  132.872   51.079  ?   ?       ?      ? 
1 1 1   20    7    0 o  573.619   24.352  640.526   50.172  622.784   59.817  682.628   92.145  562.149   27.267  585.090   40.357 -22.94135 48.70497 
1 1 1   20    7    1 o  161.233   31.113   42.640   14.286   39.194   15.163   69.848   42.613  138.416   29.000  184.050   55.056 -45.63350 62.22647 
1 1 1   20    7    2 o  894.255   48.063  1609.43  167.727   0.0000   0.0000  1609.43  167.727  ?   ?   894.255   48.063      ?      ? 
1 1 1   20    7    3 o  477.255   24.061  421.053   39.447  390.526   45.271  517.342   80.402  445.301   26.051  509.208   40.461 -63.90720 48.12276 
1 1 1   20    7    4 o  379.277   24.045  258.883   30.344  237.503   34.214  337.687   65.686  347.340   25.241  411.215   40.933 -63.87503 48.09000 
1 1 1   20    7    5 o  347.662   26.545  194.970   25.752  178.345   27.506  313.033   73.299  301.149   23.405  394.175   47.651 -93.02640 53.08908 
1 1 1   20    7    6 o  900.391   33.960  1608.81  119.326  1608.81  119.326   0.0000   0.0000  900.391   33.960  ?   ?       ?      ? 
1 1 1   20    7    7 o  137.202   29.951   18.959   10.173   15.384   10.509   72.200   40.560   88.519   27.515  185.885   53.210 -97.36559 59.90279 
1 1 1   20    7    8 o  576.815   61.231  767.823   66.411  774.794   69.121  684.125  239.496  626.091   28.291  527.538  119.150 98.55316 122.4628 
1 1 1   20    7    9 o  401.688   51.973  476.465   45.694  509.597   48.337  198.115  140.104  508.437   24.362  294.938  101.052 213.4987 103.9470 
1 1 1   20    7   10 o  391.163   38.023  306.651   58.041  306.651   58.041   0.0000   0.0000  391.163   38.023  ?   ?       ?      ? 
1 1 1   20    7   11 o  419.709   54.256  402.032   58.218  407.018   62.645  370.451  157.667  450.900   35.602  388.518  102.506 62.38226 108.5127 
1 1 1   20    7   12 o  157.487   32.599   57.232   23.935   78.084   27.606  -5.9001   48.034  193.876   37.846  121.098   53.089 72.77785 65.19818 
1 1 1   20    7   13 o  316.577   47.035  273.761   43.649  300.389   47.649  134.858  108.828  387.616   31.501  245.537   88.640 142.0793 94.07078 
1 1 1   20    7   14 o  266.149   57.349  142.787   71.567  287.289  113.113   46.327   92.417  345.326   84.603  186.972   77.447 158.3538 114.6981 
1 1 1   20    7   15 o  273.911   44.305  225.315   39.374  250.817   42.032   42.605  112.507  353.516   30.468  194.305   83.207 159.2108 88.61005 
1 1 1   20    7   16 o  256.029   49.043  161.953   34.630  166.344   35.900  103.128  131.393  287.000   32.053  225.058   92.702 61.94218 98.08678 
1 1 1   20    7   17 o  152.494   50.691 -23.2626   30.095 -29.5698   30.833  103.937  138.463   80.811   38.028  224.177   93.980 -143.3660 101.3825 
1 1 1   20    7   18 o  169.371   54.806   18.353   53.468   24.194   55.944 -43.2999  181.750  144.551   60.097  194.190   91.670 -49.63960 109.6128 
1 1 1   20    7   19 o  176.948   34.321   65.947   22.844   65.947   22.844   0.0000   0.0000  176.948   34.321  ?   ?       ?      ? 
1 1 1   20    7   20 o  141.472   33.597   42.487   18.272   42.487   18.272   0.0000   0.0000  141.472   33.597  ?   ?       ?      ? 
1 1 1   20    7   22 o  148.416   68.839 -23.3846   95.226 -23.3846   95.226   0.0000   0.0000  148.416   68.839  ?   ?       ?      ? 
1 1 1   20    7   23 o  203.188   86.619  108.613  120.935  108.613  120.935   0.0000   0.0000  203.188   86.619  ?   ?       ?      ? 
1 1 1   20    7   24 o  152.398   71.114 -10.2270  104.069 -10.2270  104.069   0.0000   0.0000  152.398   71.114  ?   ?       ?      ? 
1 1 1   20    7   25 o  170.344   72.493   61.576   84.440   61.576   84.440   0.0000   0.0000  170.344   72.493  ?   ?       ?      ? 
1 1 1   20    7   26 o  144.033   63.263   23.304   68.491   23.304   68.491   0.0000   0.0000  144.033   63.263  ?   ?       ?      ? 
1 1 1   20    7   27 o  155.304   58.660   55.867   48.609   55.867   48.609   0.0000   0.0000  155.304   58.660  ?   ?       ?      ? 
1 1 1   20    7   28 o   92.941   43.152 -19.4369   37.555 -19.4369   37.555   0.0000   0.0000   92.941   43.152  ?   ?       ?      ? 
1 1 1   20    8    0 o  359.322   31.082  263.066   42.356  279.993   55.000  238.396   66.399  375.056   37.578  343.588   49.521 31.46762 62.16448 
1 1 1   20    8    1 o  543.678   24.609  548.573   46.268  508.521   53.296  671.096   93.216  507.890   26.890  579.466   41.222 -71.57584 49.21746 
1 1 1   20    8    2 o  727.864   26.930  1019.56   69.559  972.110   81.880  1142.59  131.854  701.328   29.917  754.399   44.788 -53.07062 53.86082 
1 1 1   20    8    3 o  464.900   26.756  418.578   46.656  389.651   57.616  473.677   79.518  443.294   33.306  486.506   41.884 -43.21207 53.51180 
1 1 1   20    8    4 o  271.001   25.240  119.634   20.378  107.429   22.052  190.994   53.321  233.626   24.187  308.377   44.308 -74.75107 50.48011 
1 1 1   20    8    5 o  289.380   30.880  154.502   25.309  146.862   27.517  196.454   64.478  272.952   25.834  305.808   56.097 -32.85626 61.75971 
1 1 1   20    8    6 o  213.492   31.731   85.048   17.392   82.516   18.448  105.292   52.156  204.774   23.085  222.209   59.115 -17.43466 63.46231 
1 1 1   20    8    7 o  183.951   25.269   66.732   18.140   66.732   18.140   0.0000   0.0000  183.951   25.269  ?   ?       ?      ? 
1 1 1   20    8    8 o  616.198   39.061  761.047   93.928  761.047   93.928   0.0000   0.0000  616.198   39.061  ?   ?       ?      ? 
1 1 1   20    8    9 o  596.416   63.019  761.942   88.249  750.241   93.690  854.006  262.801  611.126   39.285  581.706  119.759 29.41968 126.0380 
1 1 1   20    8   10 o  246.815   35.001  169.538   36.673  246.936   43.972  -7.2887   66.464  352.027   32.009  141.602   62.255 210.4253 70.00156 
1 1 1   20    8   11 o  239.093   43.042  126.554   36.747  132.066   41.727  107.509   77.568  255.157   41.906  223.029   75.196 32.12839 86.08421 
1 1 1   20    8   12 o  277.158   43.635  199.501   40.484  225.231   45.454  100.775   89.037  334.781   34.792  219.535   80.034 115.2467 87.26923 
1 1 1   20    8   13 o  220.898   46.005  101.692   35.077   99.170   38.419  114.324   85.981  215.312   47.040  226.484   79.076 -11.17207 92.00937 
1 1 1   20    8   14 f  213.540   47.246  101.346   35.277  104.882   37.525   74.449  103.487  221.736   44.906  205.344   83.139 16.39177 94.49102 
1 1 1   20    8   15 o  603.636   39.600  748.105   93.282  748.105   93.282   0.0000   0.0000  603.636   39.600  ?   ?       ?      ? 
1 1 1   20    8   16 o  189.518   55.157   61.509   61.052   68.223   70.582   41.561  121.665  184.601   70.453  194.434   84.885 -9.833405 110.3137 
1 1 1   20    8   17 o  220.843   51.059  102.642   30.389  103.836   30.949   70.539  160.541  225.330   35.196  216.356   95.860 8.973618 102.1172 
1 1 1   20    8   18 f  231.338   53.501  106.953   30.276  106.254   30.775  127.977  168.788  227.880   34.607  234.797  101.252 -6.916550 107.0027 
1 1 1   20    8   19 o  250.135   39.536  130.163   38.592  130.163   38.592   0.0000   0.0000  250.135   39.536  ?   ?       ?      ? 
1 1 1   20    8   20 o  191.081   41.856   79.384   30.348   79.384   30.348   0.0000   0.0000  191.081   41.856  ?   ?       ?      ? 
1 1 1   20    8   21 o  243.886   76.369  156.361   80.795  156.361   80.795   0.0000   0.0000  243.886   76.369  ?   ?       ?      ? 
1 1 1   20    8   22 o  107.620   52.286 -86.9288   69.328 -86.9288   69.328   0.0000   0.0000  107.620   52.286  ?   ?       ?      ? 
1 1 1   20    8   23 o  194.452   82.070   96.902  106.751   96.902  106.751   0.0000   0.0000  194.452   82.070  ?   ?       ?      ? 
1 1 1   20    8   24 o  183.756   75.047   85.519   85.203   85.519   85.203   0.0000   0.0000  183.756   75.047  ?   ?       ?      ? 
1 1 1   20    8   25 o  214.232   83.518  143.891  100.708  143.891  100.708   0.0000   0.0000  214.232   83.518  ?   ?       ?      ? 
1 1 1   20    8   26 o  100.862   48.408 -53.2072   55.128 -53.2072   55.128   0.0000   0.0000  100.862   48.408  ?   ?       ?      ? 
1 1 1   20    8   27 o  193.857   83.470  115.126  114.357  115.126  114.357   0.0000   0.0000  193.857   83.470  ?   ?       ?      ? 
1 1 1   20    9    0 o  134.439   32.557   18.545   12.625   14.635   13.147   64.867   45.249   89.976   30.949  178.902   57.289 -88.92595 65.11468 
1 1 1   20    9    1 o  219.964   41.604   92.154   35.547   65.290   43.512  146.060   61.638  178.731   56.057  261.198   61.490 -82.46686 83.20718 
1 1 1   20    9    2 o  505.843   43.558  514.119   85.983   0.0000   0.0000  514.119   85.983  ?   ?   505.843   43.558      ?      ? 
1 1 1   20    9    3 o  729.492   28.447  992.232   70.492  923.476   80.493  1218.48  146.014  683.007   30.200  775.977   48.218 -92.96985 56.89498 
1 1 1   20    9    4 o  437.300   26.824  234.638   35.491  156.533   38.311  707.474   94.261  280.438   35.007  594.162   40.653 -313.7244 53.64858 
1 1 1   20    9    5 o  478.730   53.213  405.565   67.942  372.183   72.600  640.933  192.777  429.976   43.268  527.485   97.233 -97.50885 106.4257 
1 1 1   20    9    6 o  403.774   53.065  343.318   58.265  338.418   63.090  371.725  151.910  410.853   39.350  396.695   98.565 14.15781 106.1296 
1 1 1   20    9    7 o  167.065   44.109   38.722   34.038   27.085   38.973   76.139   69.885  135.803   52.228  198.328   71.098 -62.52509 88.21889 
1 1 1   20    9    8 o  444.544   53.929  381.695   61.810  362.753   65.995  516.993  176.380  424.509   39.838  464.579  100.230 -40.06964 107.8572 
1 1 1   20    9    9 o  330.152   40.907  220.278   52.704  220.278   52.704   0.0000   0.0000  330.152   40.907  ?   ?       ?      ? 
1 1 1   20    9   10 o  148.662   53.436   40.601   39.502   40.601   39.502   0.0000   0.0000  148.662   53.436  ?   ?       ?      ? 
1 1 1   20    9   11 o  300.734   46.574  219.129   46.364  236.956   52.642  157.475   97.897  341.864   39.459  259.603   84.378 82.26096 93.14882 
1 1 1   20    9   12 o  658.083   77.295  1013.40  109.616  991.022  115.241  1225.97  355.218  695.654   42.450  620.510  148.648 75.14410 154.5909 
1 1 1   20    9   13 o  329.499   53.352  251.269   52.777  251.210   57.520  251.583  132.731  349.539   42.169  309.458   98.017 40.08099 106.7033 
1 1 1   20    9   14 o  379.107   58.824  396.931   62.683  415.506   67.340  276.413  171.527  450.661   38.291  307.554  111.243 143.1064 117.6487 
1 1 1   20    9   15 o  140.027   46.225 -40.1925   56.171 -40.5956   66.511 -39.1900  104.893  123.286   57.302  156.767   72.549 -33.48080 92.44946 
1 1 1   20    9   16 o  137.410   46.154 -38.4706   33.630 -46.9271   35.149   53.081  115.650   80.007   38.465  194.814   83.911 -114.8071 92.30766 
1 1 1   20    9   17 o  227.422   63.123   95.025   57.421   80.869   60.902  208.356  172.317  189.809   66.536  265.036  107.290 -75.22667 126.2462 
1 1 1   20    9   18 o  165.473   50.754   32.847   46.003   35.777   49.273   12.944  128.423  147.156   58.102  183.789   83.233 -36.63304 101.5071 
1 1 1   20    9   19 o  189.500   77.796   69.519   92.155   69.519   92.155   0.0000   0.0000  189.500   77.796  ?   ?       ?      ? 
1 1 1   20    9   20 o  291.855   45.737  182.928   52.092  182.928   52.092   0.0000   0.0000  291.855   45.737  ?   ?       ?      ? 
1 1 1   20    9   21 o  146.832   55.762   42.604   44.077   42.604   44.077   0.0000   0.0000  146.832   55.762  ?   ?       ?      ? 
1 1 1   20    9   22 o  190.471   52.945   85.765   40.773   85.765   40.773   0.0000   0.0000  190.471   52.945  ?   ?       ?      ? 
1 1 1   20    9   23 o   54.312   20.706   4.2363   6.0921   4.2363   6.0921   0.0000   0.0000   54.312   20.706  ?   ?       ?      ? 
1 1 1   20    9   24 o  190.679   26.955   74.501   20.057   74.501   20.057   0.0000   0.0000  190.679   26.955  ?   ?       ?      ? 
1 1 1   20    9   25 f  286.318  104.431  335.983  151.619  335.983  151.619   0.0000   0.0000  286.318  104.431  ?   ?       ?      ? 
1 1 1   20    9   26 o  136.955   63.388  -8.1713   80.110  -8.1713   80.110   0.0000   0.0000  136.955   63.388  ?   ?       ?      ? 
1 1 1   20    9   27 f  221.771   76.499  151.868   80.352  151.868   80.352   0.0000   0.0000  221.771   76.499  ?   ?       ?      ? 
1 1 1   20   10    0 o  536.671   27.324  569.218   57.226  569.218   57.226   0.0000   0.0000  536.671   27.324  ?   ?       ?      ? 
1 1 1   20   10    1 o  239.239   38.952  122.626   26.115  124.411   27.995  110.665   72.477  250.736   28.611  227.741   72.461 22.99535 77.90501 
1 1 1   20   10    2 o  497.404   28.770  416.158   42.983  376.849   46.678  635.335  110.221  436.603   27.397  558.204   50.599 -121.6011 57.53941 
1 1 1   20   10    3 o  587.768   61.180  668.942   89.172  636.757   94.738  918.957  264.044  561.924   43.203  613.610  114.479 -51.68597 122.3603 
1 1 1   20   10    4 o  429.548   53.907  350.345   65.251  325.513   70.685  493.485  169.708  400.955   45.175  458.142   97.894 -57.18689 107.8144 
1 1 1   20   10    5 o  253.598   62.696  120.026   70.106  201.470  134.327   89.538   82.187  294.121   98.955  213.075   77.013 81.04622 125.3920 
1 1 1   20   10    6 o  555.773   54.762  511.157   76.981  465.699   80.976  937.999  248.134  479.592   43.267  631.954  100.616 -152.3620 109.5247 
1 1 1   20   10    7 o  290.977   46.198  205.962   48.341  236.018   56.771  126.697   92.193  341.288   42.626  240.666   81.975 100.6217 92.39509 
1 1 1   20   10    8 o  268.605   48.497  162.163   46.809  165.683   54.141  151.745   93.147  279.426   51.550  257.783   82.160 21.64304 96.99329 
1 1 1   20   10    9 o  177.426   39.610   62.148   34.406  103.546   46.890   13.859   50.642  218.443   55.032  136.410   56.984 82.03328 79.21969 
1 1 1   20   10   10 o  159.879   40.551   43.953   34.607   75.548   47.506   8.2273   50.516  187.645   58.528  132.114   56.143 55.53127 81.10211 
1 1 1   20   10   11 o  223.569   47.446  117.610   44.923  134.675   53.708   77.866   81.964  247.402   56.826  199.737   75.995 47.66466 94.89202 
1 1 1   20   10   12 o  421.034   44.981  367.415   73.906  367.415   73.906   0.0000   0.0000  421.034   44.981  ?   ?       ?      ? 
1 1 1   20   10   13 o  188.275   60.612   78.057   50.599   78.057   50.599   0.0000   0.0000  188.275   60.612  ?   ?       ?      ? 
1 1 1   20   10   14 o  324.057   51.410  224.407   65.013  224.407   65.013   0.0000   0.0000  324.057   51.410  ?   ?       ?      ? 
1 1 1   20   10   15 o  294.081   64.257  200.627   71.682  200.627   71.682   0.0000   0.0000  294.081   64.257  ?   ?       ?      ? 
1 1 1   20   10   16 o  211.093   56.765  103.298   59.175  114.422   64.643   45.769  147.006  219.202   68.256  202.985   90.719 16.21701 113.5293 
1 1 1   20   10   17 o  206.716   56.712   88.974   47.900   90.859   49.965   67.562  168.375  198.636   59.661  214.796   96.465 -16.16052 113.4235 
1 1 1   20   10   18 o  145.571   44.296   23.131   39.321   33.684   43.019 -30.4559   96.944  140.447   54.631  150.694   69.741 -10.24689 88.59120 
1 1 1   20   10   20 o  132.162   59.400  -4.8396   63.976  -4.8396   63.976   0.0000   0.0000  132.162   59.400  ?   ?       ?      ? 
1 1 1   20   10   21 o  123.479   56.543 -15.6690   61.383 -15.6690   61.383   0.0000   0.0000  123.479   56.543  ?   ?       ?      ? 
1 1 1   20   10   22 o  198.519   72.337  105.720   72.721  105.720   72.721   0.0000   0.0000  198.519   72.337  ?   ?       ?      ? 
1 1 1   20   10   24 o  498.511   35.611  527.810   69.277  527.810   69.277   0.0000   0.0000  498.511   35.611  ?   ?       ?      ? 
1 1 1   20   10   25 o   97.515   30.332   19.905   12.769   19.905   12.769   0.0000   0.0000   97.515   30.332  ?   ?       ?      ? 
1 1 1   20   10   26 o  172.652   33.347   64.747   21.654   64.747   21.654   0.0000   0.0000  172.652   33.347  ?   ?       ?      ? 
1 1 1   20   11    0 o  459.160   26.625  417.140   47.707  417.140   47.707   0.0000   0.0000  459.160   26.625  ?   ?       ?      ? 
1 1 1   20   11    1 o  437.027   43.903  386.957   74.875  386.957   74.875   0.0000   0.0000  437.027   43.903  ?   ?       ?      ? 
1 1 1   20   11    2 o  508.355   41.550  521.817   82.427  521.817   82.427   0.0000   0.0000  508.355   41.550  ?   ?       ?      ? 
1 1 1   20   11    3 o  452.288   54.096  369.380   66.554  336.266   71.364  590.485  184.403  406.745   44.960  497.831   98.407 -91.08566 108.1914 
1 1 1   20   11    4 o  574.116   63.223  783.863   94.381  799.651  102.910  700.284  236.779  628.568   41.954  519.665  119.283 108.9028 126.4457 
1 1 1   20   11    5 o  597.991   56.665  570.641   87.682  505.131   92.302  1176.38  280.674  496.571   47.632  699.411  102.834 -202.8397 113.3299 
1 1 1   20   11    6 o  222.788   77.037  106.520   81.511   0.0000   0.0000  106.520   81.511  ?   ?   222.788   77.037      ?      ? 
1 1 1   20   11    7 f  490.958   87.497  669.109  169.725  559.788  242.012  774.916  238.090  438.211  131.233  543.706  115.763 -105.4952 174.9947 
1 1 1   20   11    8 o  493.201   61.502  486.708   81.038  453.011   86.988  708.029  222.936  468.385   47.591  518.018  113.425 -49.63248 123.0049 
1 1 1   20   11    9 o  312.546   48.037  247.459   56.399  304.222   69.078  133.969   97.675  383.792   46.122  241.300   84.280 142.4919 96.07463 
1 1 1   20   11   10 o  121.868   37.958 -17.4886   34.803   23.390   56.859 -41.9797   44.010  147.467   60.888   96.269   45.342 51.19855 75.91583 
1 1 1   20   11   11 o  132.216   40.863  -2.1238   40.559 -24.0165   60.563   15.681   54.616  124.644   56.725  139.789   58.835 -15.14471 81.72675 
1 1 1   20   11   12 o  304.061   61.321  219.598   68.739  202.322   78.898  274.021  140.036  293.586   69.874  314.537  100.790 -20.95105 122.6423 
1 1 1   20   11   13 o  184.592   48.836   65.369   54.600  112.811   63.868 -63.4291  105.235  219.604   67.758  149.580   70.348 70.02348 97.67294 
1 1 1   20   11   14 o  133.213   44.434 -55.7514   52.008 -72.2576   61.077 -12.2212   99.187  105.896   50.858  160.531   72.878 -54.63486 88.86899 
1 1 1   20   11   15 o  276.696   56.486  231.166   74.375  280.456   82.664   21.706  170.406  349.136   62.990  204.257   93.781 144.8786 112.9714 
1 1 1   20   11   16 o  138.232   46.905 -37.0871   49.608 -32.1999   53.310 -68.6541  135.485  111.028   51.501  165.437   78.410 -54.40848 93.81045 
1 1 1   20   11   17 o  178.234   56.894   29.106   65.457   35.362   70.443 -10.4505  177.133  160.537   67.148  195.930   91.864 -35.39291 113.7885 
1 1 1   20   11   18 o  218.876   75.741  120.937   78.798  120.937   78.798   0.0000   0.0000  218.876   75.741  ?   ?       ?      ? 
1 1 1   20   11   19 o  180.185   75.189   61.835   88.031   61.835   88.031   0.0000   0.0000  180.185   75.189  ?   ?       ?      ? 
1 1 1   20   11   20 o  122.717   53.567   6.5514   48.434   6.5514   48.434   0.0000   0.0000  122.717   53.567  ?   ?       ?      ? 
1 1 1   20   11   21 o  107.236   46.891   2.4084   37.259   2.4084   37.259   0.0000   0.0000  107.236   46.891  ?   ?       ?      ? 
1 1 1   20   11   22 o  147.529   60.094   41.001   54.452   41.001   54.452   0.0000   0.0000  147.529   60.094  ?   ?       ?      ? 
1 1 1   20   11   23 o  199.681   73.560  111.546   75.497  111.546   75.497   0.0000   0.0000  199.681   73.560  ?   ?       ?      ? 
1 1 1   20   11   24 o  159.226   64.055   55.657   61.007   55.657   61.007   0.0000   0.0000  159.226   64.055  ?   ?       ?      ? 
1 1 1   20   11   25 o  209.391   88.110  151.636  122.448  151.636  122.448   0.0000   0.0000  209.391   88.110  ?   ?       ?      ? 
1 1 1   20   11   26 o  116.119   33.039   29.479   15.686   29.479   15.686   0.0000   0.0000  116.119   33.039  ?   ?       ?      ? 
1 1 1   20   12    0 o  658.312   65.552  837.013   98.814  792.191  103.801  1270.16  322.680  624.301   42.606  692.322  123.988 -68.02100 131.1046 
1 1 1   20   12    1 o  379.218   53.351  274.905   57.186  253.637   61.776  402.290  151.186  352.424   44.918  406.011   96.788 -53.58679 106.7028 
1 1 1   20   12    2 o  182.443   58.893   69.709   47.745   69.709   47.745   0.0000   0.0000  182.443   58.893  ?   ?       ?      ? 
1 1 1   20   12    3 o  331.068   50.470  272.737   56.467  301.759   64.957  182.968  114.241  384.765   43.261  277.370   91.199 107.3947 100.9392 
1 1 1   20   12    4 o  282.957   51.986  179.177   53.135  176.249   61.719  187.560  104.445  285.050   57.468  280.865   86.647 4.184174 103.9730 
1 1 1   20   12    5 o  239.619   42.536  131.546   45.983  198.609   60.352   38.741   70.996  309.351   49.993  169.887   68.834 139.4644 85.07263 
1 1 1   20   12    6 o  296.998   37.091  168.787   46.115  412.926   74.105   14.491   58.912  449.491   42.247  144.504   60.977 304.9870 74.18246 
1 1 1   20   12    7 o  464.802   48.296  449.049   87.601  449.049   87.601   0.0000   0.0000  464.802   48.296  ?   ?       ?      ? 
1 1 1   20   12    8 o  122.420   51.700   8.4967   42.403   0.0000   0.0000   8.4967   42.403  ?   ?   122.420   51.700      ?      ? 
1 1 1   20   12    9 o  211.099   54.263   95.978   57.644  113.626   86.399   81.820   77.386  223.247   79.156  198.951   74.244 24.29555 108.5260 
1 1 1   20   12   10 o  188.345   53.882   55.523   57.425   86.722  103.562   41.671   69.006  209.471   83.743  167.219   67.824 42.25281 107.7634 
1 1 1   20   12   11 o  307.365   64.834  250.327   82.394  252.916  102.660  245.640  138.124  318.124   82.130  296.606  100.341 21.51712 129.6675 
1 1 1   20   12   12 o  146.729   46.958 -14.4114   56.835 -15.1926   73.987 -13.2869   88.773  140.303   63.390  153.155   69.295 -12.85240 93.91566 
1 1 1   20   12   13 o  626.125   55.099  856.111  134.628  856.111  134.628   0.0000   0.0000  626.125   55.099  ?   ?       ?      ? 
1 1 1   20   12   14 o  249.277   58.515  171.781   68.798  196.941   76.576   66.475  156.662  286.360   69.278  212.194   94.322 74.16605 117.0305 
1 1 1   20   12   15 o  250.563   56.404  179.923   66.604  209.556   72.624   23.063  167.089  299.099   64.144  202.028   92.797 97.07071 112.8083 
1 1 1   20   12   16 o  195.498   60.125   19.998   55.732  -4.1310   59.170  209.721  165.917  130.047   57.879  260.950  105.404 -130.9035 120.2493 
1 1 1   20   12   17 o  247.647   57.840  172.439   60.577  184.039   63.885   69.060  190.725  280.594   60.150  214.700   98.811 65.89412 115.6794 
1 1 1   20   12   18 o  133.443   44.068 -30.4222   53.871 -17.9204   64.935 -58.0240   96.485  127.438   58.282  139.448   66.114 -12.01011 88.13564 
1 1 1   20   12   19 o  168.741   52.720   28.112   52.699   13.082   57.938  100.129  126.826  134.959   58.757  202.524   87.550 -67.56490 105.4394 
1 1 1   20   12   20 o  181.487   69.433   81.017   68.656   81.017   68.656   0.0000   0.0000  181.487   69.433  ?   ?       ?      ? 
1 1 1   20   12   21 o  222.164   84.128  154.020  100.143  154.020  100.143   0.0000   0.0000  222.164   84.128  ?   ?       ?      ? 
1 1 1   20   12   22 o  284.520  102.124  316.841  144.229  316.841  144.229   0.0000   0.0000  284.520  102.124  ?   ?       ?      ? 
1 1 1   20   12   23 o  247.227   93.176  221.499  122.475  221.499  122.475   0.0000   0.0000  247.227   93.176  ?   ?       ?      ? 
1 1 1   20   12   24 o  193.598   75.479  107.490   82.259  107.490   82.259   0.0000   0.0000  193.598   75.479  ?   ?       ?      ? 
1 1 1   20   12   25 o  140.718   63.071   17.633   71.603   17.633   71.603   0.0000   0.0000  140.718   63.071  ?   ?       ?      ? 
1 1 1   20   13    0 o  368.652   56.382  249.994   61.456  214.582   66.726  448.007  157.782  314.801   56.386  422.502   97.654 -107.7006 112.7637 
1 1 1   20   13    1 o  171.006   46.193   51.256   41.767   53.243   51.832   47.577   70.533  167.418   61.060  174.595   69.331 -7.177002 92.38590 
1 1 1   20   13    2 o  226.372   52.113  109.621   48.896  101.347   57.495  131.243   92.944  213.560   63.967  239.184   82.288 -25.62370 104.2260 
1 1 1   20   13    3 o  127.279   38.867  -8.8620   37.645   29.082   51.632 -51.9219   55.003  147.353   59.052  107.205   50.553 40.14745 77.73468 
1 1 1   20   13    4 o  227.078   55.156  100.258   55.316   70.651   65.721  172.195  102.443  187.789   68.715  266.367   86.296 -78.57823 110.3123 
1 1 1   20   13    5 o  243.760   55.727  107.845   60.005   51.003   71.810  239.371  109.234  176.497   69.998  311.022   86.732 -134.5257 111.4543 
1 1 1   20   13    6 o  321.911   77.972  247.463   96.914  247.463   96.914   0.0000   0.0000  321.911   77.972  ?   ?       ?      ? 
1 1 1   20   13    7 o  288.793   57.971  207.650   68.271  220.213   87.859  188.503  108.464  304.613   74.523  272.973   88.820 31.64056 115.9425 
1 1 1   20   13    8 o  164.880   48.231   28.541   53.741 -33.0322   85.966   68.042   68.854  144.918   66.563  184.841   69.815 -39.92332 96.46122 
1 1 1   20   13    9 o  214.377   53.924   89.279   58.430  170.846   93.931   37.795   74.626  261.043   82.432  167.710   69.541 93.33243 107.8470 
1 1 1   20   13   10 o  361.769   74.155  332.592  108.600  571.678  192.121  220.326  131.650  441.912  111.429  281.626   97.875 160.2863 148.3105 
1 1 1   20   13   11 o  197.656   56.721   61.521   66.715  131.436  111.712   22.761   83.178  231.227   88.542  164.084   70.917 67.14224 113.4416 
1 1 1   20   13   12 o  176.916   54.411   31.840   69.296   32.052   90.207   31.534  108.238  172.172   74.134  181.659   79.665 -9.487076 108.8228 
1 1 1   20   13   13 f  172.828   53.754   14.656   68.837 -17.8099   88.203   65.241  110.100  149.696   68.254  195.960   83.062 -46.26369 107.5072 
1 1 1   20   13   14 o  259.743   61.585  195.370   79.338  230.483   90.792   81.950  163.175  302.657   76.758  216.829   96.328 85.82834 123.1704 
1 1 1   20   13   15 o  186.179   55.192   60.508   68.721   94.237   77.801 -59.2271  146.585  200.676   74.530  171.681   81.424 28.99509 110.3839 
1 1 1   20   13   16 o  144.211   48.974 -37.7108   59.704 -22.9356   64.349 -129.1257  160.059  125.607   57.655  162.815   79.182 -37.20818 97.94854 
1 1 1   20   13   17 o  273.928   70.458  258.887  103.200  283.680  118.200  179.371  211.676  310.453   91.410  237.404  107.246 73.04985 140.9161 
1 1 1   20   13   18 o  126.905   42.864 -52.3120   55.673 -37.5865   66.312 -87.4796  102.477  119.662   56.137  134.149   64.791 -14.48660 85.72780 
1 1 1   20   13   19 o  181.451   53.906   70.398   70.893  116.315   81.363 -74.3575  144.464  205.524   76.240  157.378   76.231 48.14572 107.8126 
1 1 1   20   13   20 o  151.200   63.176   40.492   62.264   40.492   62.264   0.0000   0.0000  151.200   63.176  ?   ?       ?      ? 
1 1 1   20   13   21 o  177.948   69.554   79.613   69.987   79.613   69.987   0.0000   0.0000  177.948   69.554  ?   ?       ?      ? 
1 1 1   20   13   22 o  154.124   66.759   37.774   74.036   37.774   74.036   0.0000   0.0000  154.124   66.759  ?   ?       ?      ? 
1 1 1   20   13   23 o  168.025   70.696   63.417   78.815   63.417   78.815   0.0000   0.0000  168.025   70.696  ?   ?       ?      ? 
1 1 1   20   13   24 o  135.478   61.997   1.5886   73.631   1.5886   73.631   0.0000   0.0000  135.478   61.997  ?   ?       ?      ? 
1 1 1   20   14    0 o  184.687   67.768   69.098   63.985   69.098   63.985   0.0000   0.0000  184.687   67.768  ?   ?       ?      ? 
1 1 1   20   14    1 o  500.310   46.179  521.337   90.160  521.337   90.160   0.0000   0.0000  500.310   46.179  ?   ?       ?      ? 
1 1 1   20   14    2 o  204.391   52.652   88.072   52.031   85.048   62.984   94.570   92.333  197.211   67.746  211.570   80.620 -14.35899 105.3049 
1 1 1   20   14    3 o  389.040   56.482  325.931   85.750  325.931   85.750   0.0000   0.0000  389.040   56.482  ?   ?       ?      ? 
1 1 1   20   14    4 o  233.475   57.953  114.446   64.993   68.963   81.484  193.985  107.754  191.078   74.948  275.872   88.414 -84.79384 115.9067 
1 1 1   20   14    5 o  171.662   50.560   34.923   57.347   3.3647   82.911   63.869   79.404  156.810   69.212  186.514   73.721 -29.70424 101.1192 
1 1 1   20   14    6 o  173.123   49.328   31.593   48.850  100.030   88.176   1.2861   58.678  211.829   79.211  134.417   58.809 77.41158 98.65562 
1 1 1   20   14    7 o  189.125   52.951   67.406   56.774   72.870   92.302   64.080   72.007  195.980   78.808  182.270   70.742 13.71017 105.9011 
1 1 1   20   14    8 o  135.844   43.883 -15.5121   45.078 -15.4139   90.898 -15.5441   51.912  153.877   69.822  117.810   53.175 36.06759 87.76509 
1 1 1   20   14    9 f  195.982   54.221   76.964   59.650  101.150   92.210   59.561   78.221  210.935   80.522  181.029   72.635 29.90625 108.4417 
1 1 1   20   14   10 o  309.735   63.337  264.115   81.456  284.123  102.513  229.846  134.164  336.789   79.309  282.682   98.773 54.10696 126.6733 
1 1 1   20   14   11 o  181.218   49.337   47.664   58.918  123.892   75.323 -72.4900   94.567  225.101   74.055  137.335   65.212 87.76608 98.67449 
1 1 1   20   14   12 o  210.312   61.699   92.438   82.193   83.307  107.601  105.231  127.358  202.890   83.765  217.735   90.612 -14.84529 123.3983 
1 1 1   20   14   13 o  190.569   58.659   47.439   78.792   26.342   98.874   84.148  130.426  172.782   75.948  208.356   89.416 -35.57382 117.3171 
1 1 1   20   14   14 o  188.628   59.283   31.052   79.221   0.2992   93.790  107.617  147.991  158.470   71.506  218.786   94.577 -60.31512 118.5662 
1 1 1   20   14   15 f  312.530  122.682  407.756  218.487   0.0000   0.0000  407.756  218.487  ?   ?   312.530  122.682      ?      ? 
1 1 1   20   14   16 o  150.246   51.320 -62.6016   77.625 -52.1375   88.275 -98.2871  163.017  134.388   63.576  166.104   80.580 -31.71577 102.6404 
1 1 1   20   14   17 o  175.135   55.501   43.236   75.074   66.776   84.803 -42.0603  161.426  177.896   73.979  172.373   82.757 5.522888 111.0026 
1 1 1   20   14   18 o  141.389   46.617 -13.9629   59.546   5.8395   69.251 -70.1372  116.636  138.192   61.977  144.586   69.653 -6.394135 93.23467 
1 1 1   20   14   19 o  228.302   62.073  180.130   83.827  206.074   95.223   90.783  176.711  259.446   83.111  197.158   92.221 62.28767 124.1457 
1 1 1   20   14   20 o  144.895   62.822   27.421   65.685   27.421   65.685   0.0000   0.0000  144.895   62.822  ?   ?       ?      ? 
1 1 1   20   14   21 o  152.155   66.149   34.605   73.225   34.605   73.225   0.0000   0.0000  152.155   66.149  ?   ?       ?      ? 
1 1 1   20   14   22 o  172.941   74.610   67.268   91.727   67.268   91.727   0.0000   0.0000  172.941   74.610  ?   ?       ?      ? 
1 1 1   20   14   23 o  139.163   64.714  -7.1958   84.998  -7.1958   84.998   0.0000   0.0000  139.163   64.714  ?   ?       ?      ? 
1 1 1   20   15    0 o  257.681   62.230  148.701   68.450  115.794   79.914  239.350  132.635  221.381   76.294  293.980   98.333 -72.59953 124.4598 
1 1 1   20   15    1 f  160.046   49.663   0.3237   59.018 -32.4055   76.150   49.551   93.391  135.770   62.467  184.322   77.223 -48.55211 99.32548 
1 1 1   20   15    2 o  398.342   64.043  419.343   88.984  430.516  102.903  386.220  177.178  441.912   59.671  354.773  113.339 87.13965 128.0869 
1 1 1   20   15    3 o  313.767   79.299  244.197   97.141  244.197   97.141   0.0000   0.0000  313.767   79.299  ?   ?       ?      ? 
1 1 1   20   15    4 o  175.361   75.606   31.356   94.075   31.356   94.075   0.0000   0.0000  175.361   75.606  ?   ?       ?      ? 
1 1 1   20   15    5 o  402.134   76.923  392.356  116.315  392.356  116.315   0.0000   0.0000  402.134   76.923  ?   ?       ?      ? 
1 1 1   20   15    6 o  240.348   60.894  140.525   73.946   92.441   99.422  200.055  110.623  207.457   82.335  273.239   89.739 -65.78255 121.7872 
1 1 1   20   15    7 o  172.556   50.168   38.040   53.342   84.857   87.334   10.183   67.367  199.315   77.755  145.797   63.417 53.51852 100.3369 
1 1 1   20   15    8 o  279.326   64.157  210.361   79.107  195.184  102.903  232.289  123.692  271.216   86.346  287.437   94.915 -16.22131 128.3141 
1 1 1   20   15    9 o  172.089   51.638   38.504   59.224   43.833   94.246   35.027   76.134  179.332   76.458  164.846   69.427 14.48569 103.2766 
1 1 1   20   15   10 o  292.480   65.885  227.772   80.093  202.758   96.207  284.257  144.571  278.304   82.606  306.656  102.662 -28.35165 131.7691 
1 1 1   20   15   11 o  158.702   51.372 -19.2595   60.534 -41.4206   69.564   49.867  122.860  124.422   58.087  192.982   84.747 -68.55992 102.7435 
1 1 1   20   15   12 o  190.831   57.329   59.582   63.231   51.279   70.927   91.730  139.569  169.725   68.789  211.938   91.731 -42.21388 114.6587 
1 1 1   20   15   13 o  240.684   69.052  167.431   99.187  165.712  122.532  170.698  168.931  240.848   92.611  240.521  102.451 0.3270416 138.1050 
1 1 1   20   15   14 o  176.725   56.967   20.576   84.253   36.728  101.998 -14.1129  149.481  174.458   76.896  178.992   84.071 -4.533157 113.9340 
1 1 1   20   15   15 o  162.050   54.039 -27.4158   79.847 -50.5018   95.160   27.508  146.777  139.025   65.840  185.075   85.709 -46.05042 108.0784 
1 1 1   20   15   16 o  245.463   72.457  224.457  114.606  192.166  151.436  267.743  175.332  234.233   98.245  256.692  106.529 -22.45906 144.9149 
1 1 1   20   15   17 o  231.391   65.694  165.630   82.577  135.890   96.183  249.011  161.052  213.975   82.105  248.807  102.576 -34.83136 131.3887 
1 1 1   20   15   18 o  163.391   52.464   32.760   62.697   32.914   70.145   32.147  139.811  150.595   65.106  176.188   82.286 -25.59344 104.9278 
1 1 1   20   15   19 o  154.975   51.270   15.562   59.497   24.463   63.265 -52.5632  175.028  141.814   61.570  168.136   81.998 -26.32201 102.5405 
1 1 1   20   15   20 o  224.296   82.788  159.058   95.702  159.058   95.702   0.0000   0.0000  224.296   82.788  ?   ?       ?      ? 
1 1 1   20   15   21 o  289.111   95.638  302.364  125.563  302.364  125.563   0.0000   0.0000  289.111   95.638  ?   ?       ?      ? 
1 1 1   20   15   22 o  106.951   52.383 -92.2727   73.703 -92.2727   73.703   0.0000   0.0000  106.951   52.383  ?   ?       ?      ? 
1 1 1   20   16    0 o  251.455   73.230  160.302  107.341  218.247  203.068  137.833  126.450  268.103  113.176  234.807   92.961 33.29576 146.4604 
1 1 1   20   16    1 o  239.139   63.291  131.562   79.920   74.718  102.181  221.130  128.264  198.456   81.747  279.822   96.644 -81.36565 126.5812 
1 1 1   20   16    2 o  258.551   88.409  177.790  107.237  177.790  107.237   0.0000   0.0000  258.551   88.409  ?   ?       ?      ? 
1 1 1   20   16    3 o  205.953   58.515   82.243   72.125   43.662   94.996  134.750  110.824  180.132   76.780  231.774   88.323 -51.64166 117.0308 
1 1 1   20   16    4 o  479.410   64.397  523.680  120.478  523.680  120.478   0.0000   0.0000  479.410   64.397  ?   ?       ?      ? 
1 1 1   20   16    5 o  321.584   64.747  272.865   82.562  243.597  102.906  325.741  138.316  305.835   83.759  337.333   98.757 -31.49771 129.4939 
1 1 1   20   16    6 o  137.957   64.717 -52.0417   88.112 -52.0417   88.112   0.0000   0.0000  137.957   64.717  ?   ?       ?      ? 
1 1 1   20   16    7 o  268.659   83.784  190.319   97.357  190.319   97.357   0.0000   0.0000  268.659   83.784  ?   ?       ?      ? 
1 1 1   20   16    8 o  463.082   70.869  508.335  128.070  508.335  128.070   0.0000   0.0000  463.082   70.869  ?   ?       ?      ? 
1 1 1   20   16    9 o  197.709   72.911   90.425   74.196   90.425   74.196   0.0000   0.0000  197.709   72.911  ?   ?       ?      ? 
1 1 1   20   16   10 o  167.635   51.631   32.950   55.922   37.207   63.226   17.653  119.853  156.414   64.352  178.855   80.757 -22.44142 103.2612 
1 1 1   20   16   11 o  180.767   58.966   2.9613   97.023 -15.7377  137.692   21.401  136.734  175.840   81.968  185.693   84.788 -9.852570 117.9315 
1 1 1   20   16   12 o  306.394   79.315  329.165  137.119  553.705  203.886  143.740  185.279  384.174  121.460  228.615  102.034 155.5586 158.6297 
1 1 1   20   16   13 o  200.553   62.071   88.112   92.257  106.524  114.190   53.504  156.555  205.562   85.694  195.544   89.820 10.01817 124.1419 
1 1 1   20   16   14 o  150.087   50.545 -47.1441   79.081 -48.5976  100.199 -44.7434  128.776  141.804   67.273  158.370   75.455 -16.56567 101.0894 
1 1 1   20   16   15 o  149.632   48.901 -12.4305   68.973   29.904   88.813 -76.7675  109.485  160.044   71.085  139.219   67.173 20.82516 97.80244 
1 1 1   20   16   16 o  149.184   47.352   3.9613   62.266   59.035   75.045 -117.7321  111.553  167.329   69.589  131.040   64.236 36.28979 94.70440 
1 1 1   20   16   17 o  178.524   54.908   71.122   68.562   85.671   77.493   18.692  147.108  182.654   72.628  174.395   82.370 8.258392 109.8162 
1 1 1   20   16   18 o  152.575   51.206  -0.2762   55.380  -6.4194   59.153   43.326  157.590  123.380   56.115  181.770   85.670 -58.38969 102.4120 
1 1 1   20   16   19 o  262.167   67.415  299.349  115.451  379.044  132.585   49.398  234.804  331.861   96.557  192.472   94.105 139.3896 134.8297 
1 1 1   20   16   20 o  133.847   62.362 -15.9120   79.544 -15.9120   79.544   0.0000   0.0000  133.847   62.362  ?   ?       ?      ? 
1 1 1   20   16   21 o  182.164   79.961   89.368  109.266   89.368  109.266   0.0000   0.0000  182.164   79.961  ?   ?       ?      ? 
1 1 1   20   17    0 o  148.072   48.555 -58.3859   72.403 -219.6643  125.678   21.731   88.579  130.530   64.761  165.614   72.362 -35.08321 97.10963 
1 1 1   20   17    1 o  236.618   71.043  123.394   98.154  213.151  211.985   98.899  110.740  262.059  113.238  211.178   85.824 50.88139 142.0866 
1 1 1   20   17    2 o  172.768   56.263  -2.8738   81.128 -123.3514  177.930   28.747   91.155  175.384   84.867  170.152   73.889 5.232468 112.5255 
1 1 1   20   17    3 o  199.357   49.645   51.489   59.692  188.264   88.068 -64.7398   81.185  270.949   78.655  127.766   60.596 143.1833 99.28967 
1 1 1   20   17    4 o  314.811   68.717  241.370   84.487  177.182   97.938  428.085  167.038  257.965   84.423  371.657  108.448 -113.6924 137.4347 
1 1 1   20   17    5 o  226.556   58.822  131.005   69.728  158.384   93.823   97.226  104.214  245.358   82.700  207.755   83.670 37.60263 117.6432 
1 1 1   20   17    6 o  199.363   56.152   83.103   67.734  124.842   94.566   39.130   97.063  221.995   82.224  176.731   76.496 45.26341 112.3049 
1 1 1   20   17    7 o  144.202   50.034 -78.5361   62.766 -48.5016  159.952 -84.0027   68.240  179.309   85.046  109.095   52.734 70.21445 100.0681 
1 1 1   20   17    8 o  194.919   56.351   81.201   67.670   92.562   85.112   61.678  111.571  199.100   77.011  190.740   82.286 8.360031 112.7021 
1 1 1   20   17    9 o  254.296   67.124  197.145   90.587  215.514  117.453  170.174  142.318  269.254   92.511  239.339   97.284 29.91508 134.2474 
1 1 1   20   17   10 o  287.632   74.928  297.453  113.974  317.750  140.647  258.631  194.514  313.514  101.067  261.750  110.646 51.76389 149.8569 
1 1 1   20   17   11 o  270.198   75.709  280.150  124.993  341.748  164.580  196.200  192.133  302.976  109.055  237.419  105.046 65.55699 151.4187 
1 1 1   20   17   12 o  229.641   92.496  167.622  127.379  167.622  127.379   0.0000   0.0000  229.641   92.496  ?   ?       ?      ? 
1 1 1   20   17   13 o  169.262   76.854   29.920  110.359   29.920  110.359   0.0000   0.0000  169.262   76.854  ?   ?       ?      ? 
1 1 1   20   17   14 o  289.891  119.244  444.929  217.037  444.929  217.037   0.0000   0.0000  289.891  119.244  ?   ?       ?      ? 
1 1 1   20   17   15 o  155.668   71.700   8.7198  100.693   8.7198  100.693   0.0000   0.0000  155.668   71.700  ?   ?       ?      ? 
1 1 1   20   17   16 o  133.428   61.386  -9.1584   73.525  -9.1584   73.525   0.0000   0.0000  133.428   61.386  ?   ?       ?      ? 
1 1 1   20   17   17 o  278.893  103.735  319.414  150.832  319.414  150.832   0.0000   0.0000  278.893  103.735  ?   ?       ?      ? 
1 1 1   20   17   18 o  181.741   74.897   85.865   85.823   85.865   85.823   0.0000   0.0000  181.741   74.897  ?   ?       ?      ? 
1 1 1   20   17   19 o  136.113   64.323 -28.1002   89.926 -28.1002   89.926   0.0000   0.0000  136.113   64.323  ?   ?       ?      ? 
1 1 1   20   17   20 o  187.730   82.036  105.184  113.875  105.184  113.875   0.0000   0.0000  187.730   82.036  ?   ?       ?      ? 
1 1 1   20   18    0 o  327.675   70.855  324.561   97.176  317.960  119.417  337.501  167.198  339.691   89.011  315.659  110.267 24.03207 141.7101 
1 1 1   20   18    1 o  277.526   68.576  163.124   90.816   55.991  106.815  442.574  172.513  187.202   80.638  367.851  110.943 -180.6495 137.1522 
1 1 1   20   18    2 o  151.965   48.730 -31.2218   67.482 -131.0516  101.134   48.894   90.600  126.891   61.981  177.039   75.210 -50.14837 97.45909 
1 1 1   20   18    4 o  170.342   74.644   31.125   94.861   0.0000   0.0000   31.125   94.861  ?   ?   170.342   74.644      ?      ? 
1 1 1   20   18    5 o  202.523   63.416   75.627   97.943 -37.0696  204.871  109.015  111.512  194.345   93.286  210.700   85.931 -16.35509 126.8324 
1 1 1   20   18    6 o  171.494   57.699 -24.1757   79.472   43.599  188.126 -38.8980   87.680  204.202   95.397  138.786   64.931 65.41629 115.3977 
1 1 1   20   18    7 o  253.535   63.136  182.333   72.851  170.782   85.143  213.898  140.746  251.156   78.357  255.914   99.019 -4.758224 126.2719 
1 1 1   20   18    8 o  182.248   56.859   51.406   78.881   33.502  107.472   72.314  116.139  173.420   77.532  191.075   83.189 -17.65469 113.7176 
1 1 1   20   18    9 o  199.922   61.793   94.109   90.252  103.999  111.500   75.319  153.695  201.690   84.430  198.154   90.251 3.535675 123.5869 
1 1 1   20   18   10 o  205.643   60.558   99.313   92.364  202.593  119.676 -52.8291  145.253  248.325   92.395  162.962   78.309 85.36343 121.1158 
1 1 1   20   18   11 o  168.773   54.602   25.972   79.363   22.467  102.243   31.284  125.879  162.986   73.992  174.561   80.315 -11.57436 109.2031 
1 1 1   20   18   12 f  176.784   56.473   50.346   83.618   72.644  109.113   18.617  130.159  182.618   80.039  170.950   79.690 11.66820 112.9458 
1 1 1   20   18   13 o  198.698   61.620  112.104   91.732  121.777  122.292   99.660  138.709  202.286   86.691  195.109   87.594 7.176804 123.2398 
1 1 1   20   18   14 o  170.741   55.013   35.779   79.638   3.4747  104.248   81.053  123.412  155.161   71.989  186.322   83.207 -31.16176 110.0265 
1 1 1   20   18   15 o  170.646   52.749   47.311   71.845  105.849   92.387 -42.2527  114.277  194.001   78.551  147.290   70.425 46.71146 105.4985 
1 1 1   20   18   16 o  137.074   45.913 -29.1243   63.347  -1.2936   74.276 -103.3748  121.322  136.474   62.383  137.674   67.383 -1.199921 91.82680 
1 1 1   20   18   17 f  188.863   60.948   75.099   95.408   15.423  119.342  180.783  158.817  162.499   75.937  215.227   95.353 -52.72832 121.8958 
1 1 1   20   18   18 o  187.148   61.225   89.200   97.997   81.330  113.458  112.320  194.454  180.145   80.163  194.151   92.563 -14.00587 122.4502 
1 1 1   20   19    0 o  300.234   73.038  267.718   96.115  196.544  113.701  445.906  179.906  254.298   90.738  346.171  114.476 -91.87331 146.0758 
1 1 1   20   19    1 o  198.026   59.180   86.695   78.317   60.484  104.640  120.080  118.091  183.563   79.439  212.489   87.743 -28.92607 118.3609 
1 1 1   20   19    2 o  204.177   58.427  104.006   73.149  135.719  103.912   72.853  102.991  220.230   85.118  188.124   80.060 32.10609 116.8531 
1 1 1   20   19    3 o  210.727   63.981  107.040  109.821 -255.0230  255.646  188.977  121.614  176.105   88.150  245.348   92.756 -69.24286 127.9615 
1 1 1   20   19    4 o  200.550   66.195   52.472  100.541  181.573  236.900   24.109  111.038  230.472  107.462  170.628   77.323 59.84441 132.3893 
1 1 1   20   19    5 o  206.521   66.729   91.987  104.837  147.411  228.078   77.140  118.046  221.782  104.066  191.260   83.553 30.52144 133.4577 
1 1 1   20   19    6 f  216.106   68.378  138.652  115.588   95.643  234.887  152.396  132.778  210.861  100.861  221.351   92.352 -10.49007 136.7550 
1 1 1   20   19    7 o  192.712   60.858   65.970   99.273 -43.1566  149.516  152.006  132.759  165.998   79.683  219.426   92.008 -53.42780 121.7162 
1 1 1   20   19    8 o  225.568   69.439  176.924  115.831  115.234  161.124  242.906  166.635  205.114   93.028  246.021  103.116 -40.90663 138.8785 
1 1 1   20   19    9 o  146.772   50.398 -87.0607   90.408 -50.8590  131.525 -119.4871  124.478  155.158   74.548  138.386   67.841 16.77245 100.7958 
1 1 1   20   19   10 f  210.743   65.008  139.466  101.125  193.401  148.485   92.808  138.105  228.028   96.547  193.458   87.080 34.57043 130.0159 
1 1 1   20   19   11 o  178.308   56.743   60.450   81.281   64.785  101.211   52.576  136.408  176.259   77.173  180.356   83.207 -4.097412 113.4863 
1 1 1   20   19   12 o  157.085   52.266 -10.7431   83.410   25.821  107.793 -65.3057  131.678  163.578   74.913  150.592   72.904 12.98598 104.5319 
1 1 1   20   19   13 o  219.238   65.315  171.712  100.344  219.853  129.401   99.102  158.920  243.325   94.723  195.150   89.955 48.17496 130.6304 
1 1 1   20   19   14 o  190.539   58.958   65.820   81.631 -10.9170  101.509  206.274  137.332  148.738   69.675  232.340   95.128 -83.60216 117.9151 
1 1 1   20   19   15 o  162.165   51.268   19.281   75.412  100.611   92.068 -146.5255  131.457  189.305   77.743  135.025   66.857 54.28023 102.5364 
1 1 1   20   19   16 o  172.710   56.783   43.873   85.440   26.894  101.749   84.474  157.340  158.738   72.728  186.681   87.222 -27.94254 113.5657 
1 1 1   20   19   17 o  294.388   80.011  484.376  137.653  485.406  167.065  482.197  242.918  330.735  110.361  258.042  115.878 72.69363 160.0226 
1 1 1   20   20    0 o  168.468   51.835   44.214   66.428   81.829   84.233 -17.6591  108.033  183.735   74.781  153.200   71.802 30.53513 103.6709 
1 1 1   20   20    1 o  246.709   76.530  246.882  128.012  385.974  291.079  213.529  142.536  251.268  117.794  242.150   97.735 9.117538 153.0608 
1 1 1   20   20    2 o  223.052   73.044   90.991  101.257  509.650  278.222   27.071  108.713  279.042  124.751  167.062   76.018 111.9802 146.0870 
1 1 1   20   20    3 o  253.071   78.400  277.504  135.050  443.548  276.647  225.555  154.741  263.998  120.567  242.144  100.250 21.85471 156.8005 
1 1 1   20   20    4 o  172.455   57.356   10.721   98.574 -190.3741  219.268   61.658  110.354  165.764   82.773  179.145   79.420 -13.38141 114.7119 
1 1 1   20   20    5 o  246.260   75.528  280.169  138.348  239.075  238.024  301.135  170.016  228.605  106.962  263.915  106.664 -35.31003 151.0567 
1 1 1   20   20    6 o  160.914   53.870 -14.7201   90.053  -1.4758  122.802 -30.1282  132.454  162.468   76.275  159.359   76.091 3.109131 107.7393 
1 1 1   20   20    7 o  182.903   58.965   62.659   91.228   50.876  116.990   80.939  145.724  175.457   79.453  190.349   87.147 -14.89127 117.9296 
1 1 1   20   20    8 o  175.463   57.780   35.464   93.448   28.243  116.950   48.218  155.417  167.850   77.296  183.076   85.905 -15.22560 115.5607 
1 1 1   20   20    9 o  301.275   77.810  414.552  125.975  452.244  161.518  356.017  201.286  339.812  108.178  262.738  111.872 77.07394 155.6203 
1 1 1   20   20   10 o  164.084   53.875   15.191   83.744   46.981  106.972 -35.1350  134.594  170.358   76.665  157.811   75.713 12.54750 107.7492 
1 1 1   20   20   11 o  170.617   55.576   31.423   88.225   77.791  111.624 -45.7554  144.011  182.416   80.421  158.818   76.730 23.59825 111.1529 
1 1 1   20   20   12 o  210.187   60.717  139.189   90.786  223.256  114.600  -2.4767  148.767  252.053   90.965  168.320   80.445 83.73248 121.4335 
1 1 1   20   20   13 o  151.200   50.483 -10.7611   72.335 -24.3538   87.546   18.484  128.411  136.215   64.094  166.186   78.013 -29.97081 100.9655 
1 1 1   20   20   14 o  189.461   62.302   91.708  112.418  147.892  158.902   35.411  159.063  203.019   92.196  175.902   83.822 27.11696 124.6046 
1 1 1   20   20   15 f  248.406   79.915  431.814  170.320  485.313  242.510  379.739  239.261  259.540  116.219  237.272  109.723 22.26750 159.8309 
1 1 1   20   21    0 o  212.924   70.050  148.037  123.233  256.838  290.582  124.177  136.076  223.288  108.146  202.561   89.066 20.72694 140.1009 
1 1 1   20   21    1 o  182.962   61.263   47.440  105.746 -112.6613  285.348   72.927  113.852  183.912   92.213  182.011   80.681 1.901260 122.5258 
1 1 1   20   21    2 o  170.946   59.608 -29.4594   97.634   72.712  261.552 -46.0011  105.241  199.834   98.040  142.058   67.829 57.77615 119.2169 
1 1 1   20   21    3 o  188.506   63.166   60.372  110.598   75.602  241.982   56.351  124.345  198.582   96.751  178.430   81.233 20.15193 126.3312 
1 1 1   20   21    4 o  222.360   71.707  190.380  128.083  295.387  242.824  149.902  150.761  234.376  109.120  210.343   93.060 24.03276 143.4130 
1 1 1   20   21    5 o  240.235   76.327  297.226  154.318  233.365  249.782  336.648  196.252  221.887  105.541  258.582  110.291 -36.69525 152.6535 
1 1 1   20   21    6 o  178.909   60.542   19.023  117.591   29.426  189.428   12.500  149.991  184.739   88.938  173.079   82.167 11.65961 121.0845 
1 1 1   20   21    7 o  192.870   62.902   58.255  102.348 -24.4286  124.824  227.889  178.790  156.083   74.344  229.656  101.486 -73.57281 125.8032 
1 1 1   20   21    8 o  176.195   57.630   46.741   92.480   48.458  119.725   44.200  145.618  173.748   79.336  178.642   83.609 -4.893936 115.2595 
1 1 1   20   21    9 o  145.152   48.714 -29.7968   74.458 -26.1935  105.091 -33.4287  105.508  145.994   69.155  144.311   68.628 1.683624 97.42746 
1 1 1   20   21   10 o  132.503   44.829 -55.6478   65.937 -96.3734   91.446 -11.5439   95.164  120.449   58.857  144.557   67.635 -24.10806 89.65865 
1 1 1   20   21   11 o  188.012   57.591   99.461   77.810  105.410  101.552   91.003  121.087  190.463   80.198  185.561   82.676 4.902512 115.1830 
1 1 1   20   21   12 f  173.160   54.308   64.613   75.864  102.831   96.684   3.3829  122.377  187.850   78.627  158.470   74.934 29.37944 108.6156 
1 1 1   20   21   13 o  203.207   61.231  150.107   89.936  180.291  108.258   82.871  161.572  223.166   86.705  183.248   86.482 39.91821 122.4615 
1 1 1   20   22    0 o  185.480   62.980   44.077  114.418  103.668  248.014   27.965  128.962  200.717   97.826  170.242   79.348 30.47455 125.9608 
1 1 1   20   22    1 o  199.594   67.078  107.327  133.539  152.381  253.568   90.035  157.089  207.435  100.600  191.753   88.755 15.68161 134.1559 
1 1 1   20   22    2 o  174.096   86.370 -84.9985  223.401 -84.9985  223.401   0.0000   0.0000  174.096   86.370  ?   ?       ?      ? 
1 1 1   20   22    3 o  185.445   90.465   19.769  213.460   19.769  213.460   0.0000   0.0000  185.445   90.465  ?   ?       ?      ? 
1 1 1   20   22    4 o  171.698   81.027   22.123  141.799   22.123  141.799   0.0000   0.0000  171.698   81.027  ?   ?       ?      ? 
1 1 1   20   22    5 o  162.596   55.015 -15.9004   97.867 -41.6464  130.505   17.184  147.939  153.437   73.856  171.754   81.557 -18.31726 110.0290 
1 1 1   20   22    6 o  165.277   54.797  -4.0211   96.369   90.533  120.505 -171.7792  160.512  186.345   82.783  144.208   71.817 42.13741 109.5939 
1 1 1   20   22    7 o  163.455   54.942   6.2087   89.674   6.9320  106.960   4.4973  164.516  155.004   72.252  171.906   82.791 -16.90154 109.8847 
1 1 1   20   22    8 o  158.398   52.610  -3.9194   84.994   64.969  117.658 -79.0985  122.913  175.547   79.569  141.249   68.848 34.29808 105.2204 
1 1 1   20   22    9 o  144.587   48.640 -26.7469   74.260   4.0332  111.985 -50.9043   99.209  154.682   72.690  134.492   64.651 20.19080 97.28081 
1 1 1   20   22   10 f  192.160   58.148  101.928   79.605   29.286  106.014  195.832  120.535  158.936   73.335  225.384   90.260 -66.44754 116.2966 
1 1 1   20   23    0 o  159.296   55.069 -55.8701  113.249 -33.8410  165.029 -75.4777  155.695  164.044   79.919  154.548   75.786 9.496094 110.1388 
1 1 1   20   23    1 o  145.516   51.040 -151.5922  106.172  -7.9078  158.662 -268.1067  142.876  166.845   80.591  124.186   62.653 42.65931 102.0801 
1 1 1   20   23    2 o  146.676   52.079 -176.7599  114.072 -67.7773  197.949 -230.9470  139.579  166.769   82.479  126.584   63.609 40.18504 104.1581 
1 1 1   20   23    3 o  195.646   65.303  125.754  130.594  110.672  191.216  138.938  178.787  192.831   91.893  198.461   92.808 -5.630615 130.6055 
1 1 1   20   23    4 o  198.556   93.709  143.939  189.725   0.0000   0.0000  143.939  189.725  ?   ?   198.556   93.709      ?      ? 
1 1 1   20   23    5 o  350.629  101.975  917.193  202.561  642.938  236.394  1674.91  392.928  308.931  125.453  392.326  160.802 -83.39496 203.9504 
1 1 1   21    0    0 o   45.218   19.443   3.6019   9.0725   3.6019   9.0725   3.6019   9.0725   45.218   27.497   45.218   27.497 -0.000000 0.000000 
1 1 1   21    0    1 o  516.347   26.919  533.411   75.750  533.411   75.750  533.411   75.750  516.347   38.069  516.347   38.069 0.000000 0.000000 
1 1 1   21    0    2 o  101.422   24.089   25.977   12.041   25.977   12.041   25.977   12.041  101.422   34.066  101.422   34.066 -0.000000 0.000000 
1 1 1   21    0    3 o  250.455   17.357  126.348   23.463  126.348   23.463  126.348   23.463  250.455   24.547  250.455   24.547 -0.000000 0.000000 
1 1 1   21    0    4 o  350.597   25.496  249.335   48.137  249.335   48.137  249.335   48.137  350.597   36.057  350.597   36.057 -0.000000 0.000000 
1 1 1   21    0    5 o  269.601   17.126  145.768   25.009  145.768   25.009  145.768   25.009  269.601   24.220  269.601   24.220 0.000000 0.000000 
1 1 1   21    0    6 o  340.586   16.897  230.538   31.402  230.538   31.402  230.538   31.402  340.586   23.897  340.586   23.897 -0.000000 0.000000 
1 1 1   21    0    8 o  586.774   27.457  688.009   88.021  688.009   88.021  688.009   88.021  586.774   38.830  586.774   38.830 0.000000 0.000000 
1 1 1   21    0    9 o   64.490   23.275   11.988   10.444   11.988   10.444   11.988   10.444   64.490   32.916   64.490   32.916 -0.000000 0.000000 
1 1 1   21    0   10 o  430.438   24.396  371.977   57.097  371.977   57.097  371.977   57.097  430.438   34.502  430.438   34.502 0.000000 0.000000 
1 1 1   21    0   11 o  607.165   26.265  736.378   87.255  736.378   87.255  736.378   87.255  607.165   37.144  607.165   37.144 0.000000 0.000000 
1 1 1   21    0   12 o  195.010   29.571   84.671   27.943   84.671   27.943   84.671   27.943  195.010   41.820  195.010   41.820 -0.000000 0.000000 
1 1 1   21    0   13 o  152.990   33.988   58.282   25.200   58.282   25.200   58.282   25.200  152.990   48.067  152.990   48.067 -0.000000 0.000000 
1 1 1   21    0   14 o  111.707   34.150   35.522   21.687   35.522   21.687   35.522   21.687  111.707   48.295  111.707   48.295 -0.000000 0.000000 
1 1 1   21    0   15 o  338.414   24.003  233.586   43.795  233.586   43.795  233.586   43.795  338.414   33.946  338.414   33.946 -0.000000 0.000000 
1 1 1   21    0   16 o  128.276   39.944   47.916   29.646   47.916   29.646   47.916   29.646  128.276   56.489  128.276   56.489 -0.000000 0.000000 
1 1 1   21    1    0 o  328.539   16.891  212.150   21.654  211.062   30.396  213.271   30.856  327.696   23.769  329.383   24.006 -1.686310 33.78243 
1 1 1   21    1    1 o  478.826   25.939  454.362   48.425  435.639   66.777  475.128   70.326  468.475   36.526  489.176   36.840 -20.70041 51.87844 
1 1 1   21    1    2 o  264.853   16.573  137.633   17.110  128.788   23.724  147.222   24.700  255.974   23.750  273.733   23.122 -17.75984 33.14653 
1 1 1   21    1    3 o  277.398   15.966  150.932   17.270  145.287   23.872  157.131   25.015  271.971   22.492  282.825   22.665 -10.85406 31.93112 
1 1 1   21    1    4 o  187.017   15.514   68.793   11.303   72.491   15.857   64.973   16.115  192.178   21.145  181.856   22.708 10.32126 31.02782 
1 1 1   21    1    5 o  360.706   16.453  255.047   23.129  240.639   31.773  271.287   33.732  349.899   23.269  371.513   23.267 -21.61462 32.90608 
1 1 1   21    1    6 o  334.422   16.851  219.992   21.984  226.414   31.082  213.564   31.097  339.346   23.471  329.498   24.184 9.847900 33.70156 
1 1 1   21    1    7 o  987.470   25.542  1935.96   98.346  1995.53  142.617  1881.95  135.799  1001.75   36.482  973.187   35.758 28.56592 51.08368 
1 1 1   21    1    8 o  247.222   40.493   57.317   20.120   47.927   20.594  254.242   94.312  152.339   35.328  342.105   72.875 -189.7666 80.98682 
1 1 1   21    1    9 o  353.869   34.230  248.884   47.269   0.0000   0.0000  248.884   47.269  ?   ?   353.869   34.230      ?      ? 
1 1 1   21    1   10 o  326.301   20.176  204.931   24.152  194.609   29.184  227.367   43.027  314.297   23.794  338.305   32.591 -24.00793 40.35263 
1 1 1   21    1   11 o  535.966   26.145  574.069   54.576  585.746   80.045  563.926   74.607  540.702   37.935  531.229   35.988 9.472412 52.29016 
1 1 1   21    1   12 o  209.339   26.589   90.011   21.058   95.423   28.533   83.537   31.209  218.649   33.440  200.029   41.348 18.62039 53.17777 
1 1 1   21    1   13 o  315.998   25.392  205.629   30.458  240.727   41.286  163.717   45.116  347.613   30.435  284.382   40.653 63.23056 50.78349 
1 1 1   21    1   14 o  227.814   26.239  110.916   21.573  126.090   27.838   88.104   34.133  251.667   28.345  203.962   44.163 47.70425 52.47728 
1 1 1   21    1   15 o  381.907   27.820  308.827   39.377  397.070   54.201  210.191   57.304  445.023   31.210  318.790   46.062 126.2329 55.63985 
1 1 1   21    1   16 o  190.782   41.926   66.180   38.966   11.152   51.701  138.543   59.288  134.036   56.872  247.529   61.619 -113.4925 83.85297 
1 1 1   21    1   17 o  236.236   87.745  134.935  107.843   0.0000   0.0000  134.935  107.843  ?   ?   236.236   87.745      ?      ? 
1 1 1   21    2    0 o  434.863   17.607  371.329   29.854  354.521   41.241  389.835   43.272  424.543   24.893  445.184   24.908 -20.64023 35.21422 
1 1 1   21    2    1 o  486.530   22.323  475.449   40.343  441.936   67.064  494.453   50.502  471.842   36.422  501.219   25.819 -29.37778 44.64525 
1 1 1   21    2    2 o  700.829   25.830  984.736   66.793  1005.98   82.595  944.582  113.543  713.923   29.646  687.736   42.306 26.18738 51.65984 
1 1 1   21    2    3 o  744.779   21.511  1095.60   62.520  1094.24   88.157  1096.97   88.677  744.337   30.350  745.222   30.493 -0.8848267 43.02219 
1 1 1   21    2    4 o  607.750   19.577  727.498   46.405  709.705   64.351  746.776   66.982  600.060   27.481  615.440   27.889 -15.37988 39.15366 
1 1 1   21    2    5 o  427.819   17.514  359.322   29.207  340.753   40.217  380.046   42.487  416.150   24.765  439.489   24.773 -23.33844 35.02826 
1 1 1   21    2    6 o  310.959   18.374  157.108   19.907  121.105   22.731  275.625   41.242  248.171   23.471  373.747   28.277 -125.5754 36.74867 
1 1 1   21    2    7 o  859.486   28.873  1246.07   79.919  1094.92   88.435  1919.42  186.654  744.092   30.456  974.880   49.063 -230.7879 57.74697 
1 1 1   21    2    8 o  177.153   37.839   46.827   13.896   45.589   14.169   78.054   71.161  152.196   23.856  202.110   71.819 -49.91397 75.67758 
1 1 1   21    2    9 o  244.714   32.291  118.817   30.837  118.817   30.837   0.0000   0.0000  244.714   32.291  ?   ?       ?      ? 
1 1 1   21    2   10 o  156.202   23.157   33.206   10.852   24.365   11.739   85.129   28.449  108.942   27.585  203.462   37.202 -94.51990 46.31335 
1 1 1   21    2   11 o  197.302   20.683   60.591   12.984   50.629   14.244  109.547   31.577  160.296   22.771  234.308   34.534 -74.01201 41.36562 
1 1 1   21    2   12 o  128.582   28.880   32.979   14.935   34.647   17.070   27.535   30.840  129.350   33.537  127.814   47.026 1.535988 57.75968 
1 1 1   21    2   13 o  255.257   31.198  144.204   28.150  167.540   35.590  105.212   46.007  289.724   31.479  220.789   53.873 68.93549 62.39566 
1 1 1   21    2   14 o  249.329   37.362  159.245   31.534  185.311   36.229   77.772   64.051  304.556   30.483  194.102   68.223 110.4538 74.72337 
1 1 1   21    2   15 o  264.631   35.384  168.395   30.618  190.551   35.914  109.439   58.583  308.577   29.824  220.684   64.176 87.89339 70.76736 
1 1 1   21    2   16 o  108.178   33.447 -10.2658   26.004 -25.2146   32.231   17.613   44.015   85.846   39.897  130.510   53.693 -44.66418 66.89349 
1 1 1   21    2   17 o  187.384   78.180   53.111   95.150   0.0000   0.0000   53.111   95.150  ?   ?   187.384   78.180      ?      ? 
1 1 1   21    2   18 o  283.057  111.291  246.871  180.070   0.0000   0.0000  246.871  180.070  ?   ?   283.057  111.291      ?      ? 
1 1 1   21    2   19 o  485.168   36.946  484.639   69.951  484.639   69.951   0.0000   0.0000  485.168   36.946  ?   ?       ?      ? 
1 1 1   21    3    0 o  205.044   17.488   82.511   13.976   77.293   19.284   88.285   20.283  198.217   24.930  211.871   24.532 -13.65395 34.97604 
1 1 1   21    3    1 o  247.734   20.595  122.084   19.051  117.581   31.636  124.646   23.864  243.701   33.265  251.766   24.289 -8.065598 41.18902 
1 1 1   21    3    2 o  471.522   21.619  314.601   31.691  247.851   34.421  686.101   81.203  354.947   24.850  588.097   35.383 -233.1497 43.23713 
1 1 1   21    3    3 o  375.357   17.126  276.406   25.051  264.472   34.338  289.985   36.628  366.744   23.993  383.969   24.445 -17.22559 34.25182 
1 1 1   21    3    4 o  461.234   21.388  404.622   36.087  377.743   43.354  465.253   65.115  438.073   25.360  484.394   34.447 -46.32156 42.77515 
1 1 1   21    3    5 o  381.121   20.051  254.163   27.110  214.893   31.409  368.865   53.681  330.498   24.353  431.743   31.861 -101.2451 40.10249 
1 1 1   21    3    6 o  209.627   23.170   83.686   16.038   79.132   18.380   98.218   32.834  200.592   23.480  218.663   39.950 -18.07103 46.33930 
1 1 1   21    3    7 o  940.328   28.923  1788.10  103.372  1866.37  133.805  1672.23  162.803  969.020   35.384  911.638   45.762 57.38214 57.84653 
1 1 1   21    3    8 o  482.740   25.347  459.279   47.750  459.279   47.750   0.0000   0.0000  482.740   25.347  ?   ?       ?      ? 
1 1 1   21    3    9 o  146.990   27.539   34.450   11.637   30.786   12.406   61.271   33.565  122.562   26.694  171.418   48.176 -48.85594 55.07708 
1 1 1   21    3   10 o  279.170   28.193  152.816   29.405  144.466   36.232  168.927   50.331  269.236   34.485  289.105   44.611 -19.86929 56.38611 
1 1 1   21    3   11 o  233.636   31.651  132.697   21.810  145.644   24.386   80.962   48.749  271.803   22.991  195.470   58.980 76.33293 63.30275 
1 1 1   21    3   12 o  223.729   31.930  106.973   24.273  110.801   28.372   96.520   46.879  235.896   30.820  211.562   55.931 24.33421 63.86055 
1 1 1   21    3   13 o  568.282   25.293  653.972   51.086  661.035   61.067  637.506   93.244  577.010   27.120  559.554   42.702 17.45532 50.58582 
1 1 1   21    3   14 o  310.067   30.844  193.150   24.469  190.861   26.275  208.100   67.155  310.827   21.662  309.308   57.760 1.519775 61.68863 
1 1 1   21    3   16 f  155.419   32.210   50.400   18.894   50.400   18.894   0.0000   0.0000  155.419   32.210  ?   ?       ?      ? 
1 1 1   21    3   17 o  168.084   42.288   50.662   19.514   51.363   19.902   33.231   99.287  156.321   33.622  179.846   77.606 -23.52539 84.57615 
1 1 1   21    3   18 o  312.751   58.597  236.471   43.288  235.281   44.549  256.594  183.232  339.872   33.589  285.629  112.277 54.24307 117.1931 
1 1 1   21    3   20 o  598.614   40.005  746.913   93.452  746.913   93.452   0.0000   0.0000  598.614   40.005  ?   ?       ?      ? 
1 1 1   21    3   21 o  129.742   33.612   35.806   17.155   35.806   17.155   0.0000   0.0000  129.742   33.612  ?   ?       ?      ? 
1 1 1   21    3   22 o  174.680   32.700   64.501   21.471   64.501   21.471   0.0000   0.0000  174.680   32.700  ?   ?       ?      ? 
1 1 1   21    3   24 o  213.785   44.694  103.332   36.087  103.332   36.087   0.0000   0.0000  213.785   44.694  ?   ?       ?      ? 
1 1 1   21    4    0 o  408.049   17.653  325.426   28.014  294.924   37.931  362.027   41.551  387.136   25.107  428.963   24.822 -41.82748 35.30583 
1 1 1   21    4    1 o  551.467   27.244  583.104   57.471  494.224   73.020  727.795   93.166  498.549   37.532  604.385   39.501 -105.8354 54.48869 
1 1 1   21    4    2 o  419.996   22.271  356.158   34.284  371.847   42.380  326.447   58.322  434.701   24.983  405.290   36.875 29.41064 44.54102 
1 1 1   21    4    3 o  204.628   23.388   63.096   15.083   51.778   16.477  121.630   37.472  162.144   26.040  247.111   38.858 -84.96660 46.77625 
1 1 1   21    4    4 o  156.803   26.953   58.559   15.163   67.430   17.048   24.983   33.168  185.176   23.592  128.429   48.468 56.74716 53.90509 
1 1 1   21    4    5 o  528.440   23.121  569.179   45.469  615.518   57.801  493.958   73.644  558.843   26.504  498.037   37.892 60.80554 46.24123 
1 1 1   21    4    6 o  173.217   26.045   44.360   13.336   35.755   14.419   95.268   35.071  132.059   28.791  214.375   43.410 -82.31671 52.09007 
1 1 1   21    4    7 o  361.731   23.961  257.579   33.824  257.579   33.824   0.0000   0.0000  361.731   23.961  ?   ?       ?      ? 
1 1 1   21    4    8 o  145.723   35.709   24.753   11.661   23.145   11.892   64.809   59.367  106.349   28.197  185.098   65.617 -78.74841 71.41887 
1 1 1   21    4    9 o  624.109   25.370  785.079   57.673  800.489   70.425  753.701  100.492  636.068   28.372  612.150   42.067 23.91827 50.74063 
1 1 1   21    4   10 o  334.724   25.384  211.228   26.704  202.979   29.693  246.122   61.068  320.839   23.716  348.609   44.889 -27.77017 50.76891 
1 1 1   21    4   11 o   95.120   25.629   13.759   13.284   23.011   14.097 -59.5868   39.690  106.678   31.611   83.562   40.350 23.11673 51.25734 
1 1 1   21    4   12 o  394.927   50.262  321.675   77.463   0.0000   0.0000  321.675   77.463  ?   ?   394.927   50.262      ?      ? 
1 1 1   21    4   13 o  367.509   49.007  298.535   34.852  298.599   36.125  297.676  132.453  388.454   23.831  346.564   95.073 41.89035 98.01421 
1 1 1   21    4   14 o  117.169   27.768   27.769   10.251   29.885   10.528 -10.8855   45.000  120.916   23.155  113.421   50.478 7.494682 55.53512 
1 1 1   21    4   15 f  176.815   34.636   69.739   15.669   71.676   16.155   39.002   64.367  190.276   21.756  163.354   65.767 26.92255 69.27230 
1 1 1   21    4   16 o  171.972   70.845   41.938   76.752   0.0000   0.0000   41.938   76.752  ?   ?   171.972   70.845      ?      ? 
1 1 1   21    4   17 o  195.315   31.489   77.176   24.000   77.176   24.000   0.0000   0.0000  195.315   31.489  ?   ?       ?      ? 
1 1 1   21    4   18 f   96.085   29.670   18.691   12.243   18.691   12.243   0.0000   0.0000   96.085   29.670  ?   ?       ?      ? 
1 1 1   21    4   19 o  287.508   32.444  168.277   36.402  168.277   36.402   0.0000   0.0000  287.508   32.444  ?   ?       ?      ? 
1 1 1   21    4   20 o  484.314   36.625  484.320   69.221  484.320   69.221   0.0000   0.0000  484.314   36.625  ?   ?       ?      ? 
1 1 1   21    4   21 o  234.661   31.996  112.621   29.300  112.621   29.300   0.0000   0.0000  234.661   31.996  ?   ?       ?      ? 
1 1 1   21    4   22 o  221.399   31.917  100.780   27.576  100.780   27.576   0.0000   0.0000  221.399   31.917  ?   ?       ?      ? 
1 1 1   21    4   24 o  193.618   54.715   90.737   43.172   90.737   43.172   0.0000   0.0000  193.618   54.715  ?   ?       ?      ? 
1 1 1   21    4   25 o   91.867   40.809  -3.6670   29.279  -3.6670   29.279   0.0000   0.0000   91.867   40.809  ?   ?       ?      ? 
1 1 1   21    4   26 o  177.148   51.185   75.084   37.374   75.084   37.374   0.0000   0.0000  177.148   51.185  ?   ?       ?      ? 
1 1 1   21    4   27 o  216.828   45.645  108.466   37.401  108.466   37.401   0.0000   0.0000  216.828   45.645  ?   ?       ?      ? 
1 1 1   21    4   28 o  336.261   36.772  244.405   48.253  244.405   48.253   0.0000   0.0000  336.261   36.772  ?   ?       ?      ? 
1 1 1   21    5    0 o  264.802   26.614  150.048   22.762  159.587   26.652  124.339   43.755  284.848   23.977  244.757   47.523 40.09077 53.22887 
1 1 1   21    5    1 o  959.596   29.420  1842.75  105.862  1849.74  132.782  1830.55  175.374  965.301   35.249  953.892   47.112 11.40869 58.83909 
1 1 1   21    5    2 o  526.924   38.853  553.284   79.892   0.0000   0.0000  553.284   79.892  ?   ?   526.924   38.853      ?      ? 
1 1 1   21    5    3 o  234.721   22.520   81.563   16.769   65.330   18.342  164.217   41.388  182.117   25.809  287.325   36.912 -105.2081 45.03972 
1 1 1   21    5    4 o  566.710   25.687  650.305   51.443  667.413   61.465  610.295   93.995  581.756   27.074  551.664   43.661 30.09271 51.37458 
1 1 1   21    5    5 o  395.855   22.206  273.647   29.788  241.542   33.710  388.023   63.628  350.250   24.663  441.461   36.934 -91.21027 44.41162 
1 1 1   21    5    6 o  472.395   25.408  439.784   46.839  439.784   46.839   0.0000   0.0000  472.395   25.408  ?   ?       ?      ? 
1 1 1   21    5    7 o  311.227   29.686  203.671   27.013  208.092   30.151  185.686   60.810  325.083   23.767  297.370   54.407 27.71255 59.37144 
1 1 1   21    5    8 o  216.301   39.547  101.140   20.066  102.798   20.730   76.484   79.939  228.471   23.251  204.131   75.600 24.34003 79.09458 
1 1 1   21    5    9 o  721.979   29.927  1033.89   84.318  1033.89   84.318   0.0000   0.0000  721.979   29.927  ?   ?       ?      ? 
1 1 1   21    5   10 o  327.075   32.205  242.271   29.720  256.504   33.244  185.621   66.325  360.567   23.627  293.584   59.920 66.98334 64.40936 
1 1 1   21    5   11 o  193.857   34.379   85.299   18.277   88.359   19.247   57.217   58.310  211.554   23.314  176.160   64.685 35.39401 68.75787 
1 1 1   21    5   12 o  231.692   39.246  144.152   22.855  151.531   23.729   49.573   84.952  277.087   21.945  186.297   75.361 90.78928 78.49167 
1 1 1   21    5   13 o  623.904  156.218  1275.96  379.494   0.0000   0.0000  1275.96  379.494  ?   ?   623.904  156.218      ?      ? 
1 1 1   21    5   14 o  228.974   77.510  119.987   82.418   0.0000   0.0000  119.987   82.418  ?   ?   228.974   77.510      ?      ? 
1 1 1   21    5   15 o  199.393   36.629  106.315   19.583  111.998   20.169   12.840   81.800  237.770   21.737  161.015   69.958 76.75453 73.25745 
1 1 1   21    5   16 o  143.300   33.049   44.479   12.970   47.111   13.131 -61.1246   83.161  154.087   21.837  132.513   62.387 21.57391 66.09848 
1 1 1   21    5   17 o  209.963   43.049  105.180   18.894  107.119   19.120   24.899  123.021  232.338   21.089  187.589   83.475 44.74907 86.09750 
1 1 1   21    5   18 o  154.731   48.109   24.402   13.581   24.342   13.634   32.083  154.012  108.185   30.810  201.276   91.151 -93.09066 96.21751 
1 1 1   21    5   20 o  190.732   80.866   63.356  104.395   63.356  104.395   0.0000   0.0000  190.732   80.866  ?   ?       ?      ? 
1 1 1   21    5   21 o  266.793   98.656  222.645  136.030  222.645  136.030   0.0000   0.0000  266.793   98.656  ?   ?       ?      ? 
1 1 1   21    5   22 o  153.822   69.904   1.8208   91.557   1.8208   91.557   0.0000   0.0000  153.822   69.904  ?   ?       ?      ? 
1 1 1   21    5   23 f  245.893   93.639  204.072  124.511  204.072  124.511   0.0000   0.0000  245.893   93.639  ?   ?       ?      ? 
1 1 1   21    5   24 o  232.365   89.236  180.190  113.674  180.190  113.674   0.0000   0.0000  232.365   89.236  ?   ?       ?      ? 
1 1 1   21    5   25 f  344.208  142.653  929.834  313.793  929.834  313.793   0.0000   0.0000  344.208  142.653  ?   ?       ?      ? 
1 1 1   21    5   26 o  243.793   99.843  246.393  151.332  246.393  151.332   0.0000   0.0000  243.793   99.843  ?   ?       ?      ? 
1 1 1   21    5   27 o   63.625   32.226 -127.7188   40.111 -127.7188   40.111   0.0000   0.0000   63.625   32.226  ?   ?       ?      ? 
1 1 1   21    6    0 o  755.434   26.765  1120.04   73.321  1092.13   88.177  1182.59  131.990  743.150   30.405  767.718   44.056 -24.56781 53.52986 
1 1 1   21    6    1 o  451.352   23.320  379.330   36.534  352.866   42.197  458.549   73.008  423.242   25.548  479.462   39.020 -56.22034 46.63970 
1 1 1   21    6    2 o  397.440   34.284  313.562   53.174  313.562   53.174   0.0000   0.0000  397.440   34.284  ?   ?       ?      ? 
1 1 1   21    6    3 o  234.368   30.396  116.301   21.140  118.911   23.519  105.321   48.243  245.759   24.523  222.978   55.626 22.78070 60.79179 
1 1 1   21    6    4 o  486.397   22.860  392.674   36.583  337.365   40.734  623.325   83.183  413.797   25.225  558.997   38.132 -145.2001 45.72067 
1 1 1   21    6    5 o  251.968   37.280  116.804   21.747  113.506   22.753  151.659   73.968  240.070   24.286  263.866   70.494 -23.79550 74.56046 
1 1 1   21    6    6 o  535.679   25.543  556.341   47.109  539.370   54.605  605.737   93.160  522.685   26.771  548.673   43.510 -25.98767 51.08587 
1 1 1   21    6    7 o  296.669   33.258  195.106   27.331  202.796   30.178  160.032   64.451  320.772   24.108  272.567   61.993 48.20575 66.51601 
1 1 1   21    6    8 o  324.111   26.482  167.613   25.142  149.281   27.071  282.709   67.830  274.987   25.226  373.236   46.570 -98.24857 52.96341 
1 1 1   21    6    9 o  767.282   30.958  1170.56   92.696  1170.56   92.696   0.0000   0.0000  767.282   30.958  ?   ?       ?      ? 
1 1 1   21    6   10 o  454.257   53.547  440.949   45.469  438.632   47.087  472.938  174.974  470.832   25.627  437.683  103.982 33.14896 107.0939 
1 1 1   21    6   11 o  344.245   48.038  260.017   33.030  260.167   34.267  258.058  124.031  362.677   24.212  325.814   92.974 36.86301 96.07528 
1 1 1   21    6   12 o  275.243   43.470  187.404   26.483  192.201   27.530  127.875   96.981  311.816   22.624  238.671   83.945 73.14580 86.94041 
1 1 1   21    6   13 o  249.959   40.921  163.145   24.444  169.617   25.445   85.757   87.990  292.797   22.269  207.121   78.755 85.67616 81.84297 
1 1 1   21    6   14 o  150.320   61.074   29.240   56.060   0.0000   0.0000   29.240   56.060  ?   ?   150.320   61.074      ?      ? 
1 1 1   21    6   15 o  246.482   88.098  150.560  107.225   0.0000   0.0000  150.560  107.225  ?   ?   246.482   88.098      ?      ? 
1 1 1   21    6   16 o  232.724   46.791  114.028   28.733  113.208   29.766  125.230  110.042  236.358   32.271  229.091   87.841 7.267410 93.58157 
1 1 1   21    6   17 o  185.520   53.724   32.154   50.157   6.8320   55.568  143.512  116.530  133.520   57.836  237.519   90.555 -103.9992 107.4489 
1 1 1   21    6   18 o  112.300   42.455   2.5931   6.3317   2.7358   6.3371 -81.5166  153.876   51.886   20.725  172.714   82.342 -120.8272 84.90996 
1 1 1   21    6   19 o  189.709   81.511   55.001  108.613   55.001  108.613   0.0000   0.0000  189.709   81.511  ?   ?       ?      ? 
1 1 1   21    6   20 o  260.732   99.251  206.592  139.848  206.592  139.848   0.0000   0.0000  260.732   99.251  ?   ?       ?      ? 
1 1 1   21    6   21 f  316.369  113.551  371.401  178.312  371.401  178.312   0.0000   0.0000  316.369  113.551  ?   ?       ?      ? 
1 1 1   21    6   22 o  182.161   81.843   48.896  121.332   48.896  121.332   0.0000   0.0000  182.161   81.843  ?   ?       ?      ? 
1 1 1   21    6   23 o  242.780  101.857  232.413  162.848  232.413  162.848   0.0000   0.0000  242.780  101.857  ?   ?       ?      ? 
1 1 1   21    6   24 o  179.114   81.637   55.548  126.043   55.548  126.043   0.0000   0.0000  179.114   81.637  ?   ?       ?      ? 
1 1 1   21    6   25 o  198.088   86.449  114.362  126.092  114.362  126.092   0.0000   0.0000  198.088   86.449  ?   ?       ?      ? 
1 1 1   21    6   26 o   99.723   46.572 -25.6056   44.780 -25.6056   44.780   0.0000   0.0000   99.723   46.572  ?   ?       ?      ? 
1 1 1   21    6   27 o  129.213   50.797   32.126   37.509   32.126   37.509   0.0000   0.0000  129.213   50.797  ?   ?       ?      ? 
1 1 1   21    7    0 o  474.394   28.926  449.094   53.164  438.715   70.713  462.587   80.629  468.755   38.657  480.033   43.041 -11.27771 57.85236 
1 1 1   21    7    1 o  637.862   25.928  808.021   59.446  804.027   71.321  817.110  107.590  637.845   28.653  637.880   43.222 -0.3442383E-01 51.85657 
1 1 1   21    7    2 o  298.186   31.001  170.761   26.490  165.342   29.002  198.050   65.081  289.597   25.662  306.776   56.443 -17.17935 62.00268 
1 1 1   21    7    3 o  856.184   47.729  1482.73  159.471   0.0000   0.0000  1482.73  159.471  ?   ?   856.184   47.729      ?      ? 
1 1 1   21    7    4 f  572.113   25.568  608.672   49.845  566.690   57.004  745.022  102.732  535.637   27.271  608.589   43.256 -72.95203 51.13560 
1 1 1   21    7    5 o  462.305   27.176  411.283   40.801  398.652   46.011  457.778   88.276  449.368   26.238  475.241   47.599 -25.87326 54.35133 
1 1 1   21    7    6 o  319.075   39.507  212.488   29.271  212.349   30.950  213.661   90.075  328.180   24.167  309.971   75.227 18.20938 79.01342 
1 1 1   21    7    7 o  211.573   42.732   85.923   18.816   86.097   19.186   81.544   96.304  208.970   23.527  214.176   82.163 -5.205963 85.46474 
1 1 1   21    7    8 o  321.156   27.875  158.393   23.864  143.330   25.243  285.092   73.210  269.469   24.005  372.844   50.317 -103.3756 55.74943 
1 1 1   21    7    9 o  239.974   39.089  167.952   25.236  180.385   26.316   25.716   89.007  302.436   22.297  177.512   74.931 124.9243 78.17818 
1 1 1   21    7   10 o  258.988   41.951  184.710   26.927  194.659   28.072   70.165   95.247  313.937   22.914  204.038   80.712 109.8991 83.90118 
1 1 1   21    7   11 o  170.148   33.871   67.096   16.702   70.747   17.310   17.824   63.590  189.101   23.457  151.196   63.552 37.90520 67.74300 
1 1 1   21    7   12 o  397.459   53.594  391.762   57.913  406.825   63.190  312.713  144.759  448.581   36.098  346.336  100.928 102.2451 107.1890 
1 1 1   21    7   13 o  247.488   61.844  124.173   69.252  221.520  130.069   85.660   81.812  291.404   97.378  203.572   76.265 87.83260 123.6880 
1 1 1   21    7   14 o  247.360   44.056  150.240   33.979  157.468   36.453  102.363   93.820  278.915   33.491  215.805   81.499 63.10979 88.11192 
1 1 1   21    7   15 o  281.546   59.702  196.385   83.112  332.634  116.444   54.890  118.665  364.616   83.618  198.476   85.236 166.1403 119.4033 
1 1 1   21    7   16 o  173.494   44.405   56.182   22.915   57.446   23.410   27.261  111.988  164.221   37.370  182.766   80.565 -18.54466 88.80984 
1 1 1   21    7   17 o  149.194   42.763   34.975   18.697   36.673   18.918 -36.3410  122.587  131.507   35.870  166.880   77.641 -35.37381 85.52665 
1 1 1   21    7   18 o  141.000   44.669   19.598   15.197   19.828   15.301   2.8983  130.425  100.451   33.394  181.549   82.862 -81.09754 89.33810 
1 1 1   21    7   19 o  196.635   41.144   95.279   25.823  100.503   26.660   15.960  103.883  222.339   30.726  170.930   76.337 51.40880 82.28851 
1 1 1   21    7   22 o  207.493   92.338  116.994  150.562  116.994  150.562   0.0000   0.0000  207.493   92.338  ?   ?       ?      ? 
1 1 1   21    7   23 o  176.831   80.334   48.755  120.789   48.755  120.789   0.0000   0.0000  176.831   80.334  ?   ?       ?      ? 
1 1 1   21    7   24 o  136.608   65.856 -67.2160  104.706 -67.2160  104.706   0.0000   0.0000  136.608   65.856  ?   ?       ?      ? 
1 1 1   21    7   25 o  186.301   83.522   82.730  125.643   82.730  125.643   0.0000   0.0000  186.301   83.522  ?   ?       ?      ? 
1 1 1   21    7   26 o  144.714   65.642   12.452   80.254   12.452   80.254   0.0000   0.0000  144.714   65.642  ?   ?       ?      ? 
1 1 1   21    7   27 o  149.942   66.556   32.172   77.735   32.172   77.735   0.0000   0.0000  149.942   66.556  ?   ?       ?      ? 
1 1 1   21    8    0 o  390.608   28.605  301.606   34.806  298.725   38.857  313.302   78.295  389.122   25.589  392.095   51.169 -2.972626 57.21098 
1 1 1   21    8    1 o  496.725   30.869  482.708   58.471  433.850   73.835  564.884   95.755  465.021   40.687  528.429   46.434 -63.40790 61.73808 
1 1 1   21    8    2 o  377.217   31.334  296.909   43.649  324.329   55.301  251.598   71.088  403.422   35.127  351.012   51.897 52.40982 62.66749 
1 1 1   21    8    3 f  476.064   26.922  432.349   41.588  416.176   46.814  492.901   90.582  459.076   26.131  493.051   47.078 -33.97528 53.84425 
1 1 1   21    8    4 o  218.608   35.223   76.892   22.403   66.089   24.144  143.812   60.092  178.962   35.821  258.254   60.659 -79.29179 70.44595 
1 1 1   21    8    5 o  240.140   35.916  165.830   25.491  186.260   27.532   43.157   67.463  307.441   22.948  172.839   68.068 134.6029 71.83177 
1 1 1   21    8    6 o  537.760   37.789  626.533   56.119  641.579   61.339  549.248  139.018  569.148   27.617  506.371   70.351 62.77679 75.57769 
1 1 1   21    8    7 o  213.170   37.349  121.831   22.033  130.009   22.937   24.187   79.254  256.728   22.894  169.613   71.103 87.11494 74.69836 
1 1 1   21    8    8 o  175.662   25.473   61.075   17.462   61.075   17.462   0.0000   0.0000  175.662   25.473  ?   ?       ?      ? 
1 1 1   21    8    9 o  399.410   25.381  316.033   39.561  316.033   39.561   0.0000   0.0000  399.410   25.381  ?   ?       ?      ? 
1 1 1   21    8   10 o  128.893   36.768   20.265   26.414   23.160   30.919   12.445   50.815  122.480   46.658  135.306   56.839 -12.82613 73.53665 
1 1 1   21    8   11 o  332.032   49.907  271.933   48.173  284.169   52.651  209.029  119.375  374.930   35.985  289.134   93.102 85.79532 99.81395 
1 1 1   21    8   12 o  228.421   41.082  130.479   34.726  146.944   38.804   64.268   77.813  268.902   36.978  187.939   73.373 80.96251 82.16419 
1 1 1   21    8   13 o  457.685   37.300  427.494   66.620  427.494   66.620   0.0000   0.0000  457.685   37.300  ?   ?       ?      ? 
1 1 1   21    8   14 o  209.064   45.082  100.859   34.022  105.174   36.644   73.891   91.601  221.400   43.963  196.727   78.719 24.67218 90.16356 
1 1 1   21    8   15 o  349.358   55.528  336.328   52.373  348.497   55.608  240.792  155.808  413.369   34.472  285.346  105.571 128.0226 111.0569 
1 1 1   21    8   16 o  230.806   62.948  120.537   74.094   97.029   87.704  179.146  138.480  206.801   78.628  254.811   98.323 -48.01041 125.8964 
1 1 1   21    8   17 o  171.399   43.948   62.565   26.404   67.795   26.920 -69.9407  135.504  177.539   39.835  165.259   78.351 12.27951 87.89610 
1 1 1   21    8   18 o  173.438   53.443   28.547   53.910   18.078   59.563   75.979  126.781  142.679   60.806  204.196   87.905 -61.51735 106.8861 
1 1 1   21    8   19 o  168.525   43.530   53.766   25.244   53.793   26.239   53.425   92.567  156.892   42.016  180.157   76.251 -23.26514 87.06085 
1 1 1   21    8   20 o  189.772   38.574   77.863   27.593   77.863   27.593   0.0000   0.0000  189.772   38.574  ?   ?       ?      ? 
1 1 1   21    8   21 o  116.946   35.727   29.069   17.807   29.069   17.807   0.0000   0.0000  116.946   35.727  ?   ?       ?      ? 
1 1 1   21    8   22 o  235.867   96.840  200.696  142.809  200.696  142.809   0.0000   0.0000  235.867   96.840  ?   ?       ?      ? 
1 1 1   21    8   23 o  153.180   72.221 -17.8003  112.180 -17.8003  112.180   0.0000   0.0000  153.180   72.221  ?   ?       ?      ? 
1 1 1   21    8   24 o  190.401   86.716   87.070  141.870   87.070  141.870   0.0000   0.0000  190.401   86.716  ?   ?       ?      ? 
1 1 1   21    8   25 o  173.209   77.802   56.150  109.576   56.150  109.576   0.0000   0.0000  173.209   77.802  ?   ?       ?      ? 
1 1 1   21    8   26 o  281.405  109.187  381.955  171.504  381.955  171.504   0.0000   0.0000  281.405  109.187  ?   ?       ?      ? 
1 1 1   21    9    0 o  227.563   26.232  102.361   23.295  102.361   23.295   0.0000   0.0000  227.563   26.232  ?   ?       ?      ? 
1 1 1   21    9    1 o  302.135   31.994  173.291   24.962  168.138   26.724  208.547   69.897  292.024   23.450  312.245   59.536 -20.22116 63.98752 
1 1 1   21    9    2 o  589.587   32.623  718.151   59.809  726.944   67.165  684.474  131.443  605.677   28.416  573.496   58.732 32.18066 65.24510 
1 1 1   21    9    3 o  1083.73   57.136  2439.15  241.638   0.0000   0.0000  2439.15  241.638  ?   ?   1083.73   57.136      ?      ? 
1 1 1   21    9    4 o  372.131   37.247  270.754   35.550  264.275   38.089  314.552   99.029  365.381   26.713  378.880   69.540 -13.49887 74.49427 
1 1 1   21    9    5 o  791.534  226.114  2703.28  733.197   0.0000   0.0000  2703.28  733.197  ?   ?   791.534  226.114      ?      ? 
1 1 1   21    9    6 f  416.272   52.815  400.581   44.181  404.074   46.084  360.871  155.365  451.678   26.145  380.865  102.342 70.81354 105.6292 
1 1 1   21    9    7 o  413.159   54.665  345.532   62.619  328.275   67.765  446.394  163.827  401.526   43.247  424.793  100.413 -23.26611 109.3300 
1 1 1   21    9    8 o  306.765   41.588  280.644   49.229  381.119   58.072   24.049   92.804  435.725   34.153  177.805   75.841 257.9210 83.17590 
1 1 1   21    9    9 o  450.400   58.876  466.116   68.019  464.330   73.110  477.617  185.512  478.220   39.176  422.579  111.045 55.64114 117.7525 
1 1 1   21    9   10 o  283.464   45.972  166.210   50.854  166.210   50.854   0.0000   0.0000  283.464   45.972  ?   ?       ?      ? 
1 1 1   21    9   11 o  551.793   39.813  623.054   85.730  623.054   85.730   0.0000   0.0000  551.793   39.813  ?   ?       ?      ? 
1 1 1   21    9   12 o  200.195   53.594   88.645   42.701   88.645   42.701   0.0000   0.0000  200.195   53.594  ?   ?       ?      ? 
1 1 1   21    9   13 o  171.931   41.035   66.547   35.665   90.154   40.398 -16.8662   75.938  201.983   51.188  141.880   64.151 60.10301 82.07064 
1 1 1   21    9   14 f  255.249   51.812  151.932   44.086  151.063   47.497  157.336  118.468  263.874   47.889  246.624   91.895 17.24918 103.6244 
1 1 1   21    9   15 o  228.115   40.191  155.070   40.842  190.837   44.154 -56.8158  107.470  304.485   37.160  151.744   71.277 152.7404 80.38224 
1 1 1   21    9   16 o  297.249   48.927  288.293   51.725  319.987   54.731   23.317  158.253  394.857   35.519  199.642   91.180 195.2151 97.85434 
1 1 1   21    9   17 f  210.025   46.030  122.489   43.043  142.914   44.758 -128.8125  156.996  256.043   46.508  164.006   79.448 92.03725 92.05933 
1 1 1   21    9   18 o  207.063   90.255   81.151  137.059   0.0000   0.0000   81.151  137.059  ?   ?   207.063   90.255      ?      ? 
1 1 1   21    9   19 o  168.685   45.306   58.188   32.666   61.267   34.617   33.158   98.707  165.166   49.671  172.204   75.784 -7.037308 90.61158 
1 1 1   21    9   20 o  256.405   40.640  140.140   40.664  140.140   40.664   0.0000   0.0000  256.405   40.640  ?   ?       ?      ? 
1 1 1   21    9   21 o  200.560   48.085   92.647   37.147   92.647   37.147   0.0000   0.0000  200.560   48.085  ?   ?       ?      ? 
1 1 1   21    9   22 o  316.041   75.595  275.209   91.979  275.209   91.979   0.0000   0.0000  316.041   75.595  ?   ?       ?      ? 
1 1 1   21    9   23 o  210.135   24.627   89.776   20.195   89.776   20.195   0.0000   0.0000  210.135   24.627  ?   ?       ?      ? 
1 1 1   21    9   24 o  166.556   76.051   34.396  110.005   34.396  110.005   0.0000   0.0000  166.556   76.051  ?   ?       ?      ? 
1 1 1   21    9   25 o  267.851  103.452  311.578  153.416  311.578  153.416   0.0000   0.0000  267.851  103.452  ?   ?       ?      ? 
1 1 1   21    9   26 o  208.063   88.316  158.169  124.748  158.169  124.748   0.0000   0.0000  208.063   88.316  ?   ?       ?      ? 
1 1 1   21   10    0 o  409.265   51.017  327.429   39.748  321.204   41.076  419.068  157.601  402.796   26.132  415.733   98.630 -12.93683 102.0335 
1 1 1   21   10    1 o  414.854   52.318  341.860   41.764  335.804   43.204  428.245  163.170  411.656   26.894  418.051  101.121 -6.395050 104.6364 
1 1 1   21   10    2 o  433.044   33.405  372.409   40.587  367.447   44.051  400.286  104.409  430.741   26.207  435.348   61.457 -4.606750 66.81100 
1 1 1   21   10    3 o  734.164   31.951  1014.72   74.011  959.056   82.221  1252.43  169.911  693.990   30.360  774.339   56.229 -80.34912 63.90141 
1 1 1   21   10    4 o  555.640   57.447  596.785   58.157  582.485   59.964  823.406  238.717  541.391   28.382  569.889  111.333 -28.49792 114.8936 
1 1 1   21   10    5 o  524.463   62.115  602.889   83.984  589.495   90.384  687.547  227.229  537.908   43.058  511.018  116.530 26.89072 124.2301 
1 1 1   21   10    6 o  559.019  101.770  954.354  223.689  918.387  326.762  986.074  306.863  536.834  150.117  581.204  137.453 -44.36981 203.5402 
1 1 1   21   10    7 o  555.171   58.964  569.332   78.116  529.524   82.257  935.104  249.341  509.652   41.359  600.691  110.438 -91.03845 117.9279 
1 1 1   21   10    8 o  477.025   59.755  473.150   72.334  451.461   77.193  629.356  207.163  469.570   42.125  484.479  111.840 -14.90897 119.5102 
1 1 1   21   10    9 o  293.525   43.948  236.361   50.030  309.626   60.032   69.776   90.522  389.448   39.501  197.601   78.520 191.8466 87.89561 
1 1 1   21   10   10 o  217.152   39.050  109.612   40.758  173.568   52.078   8.5113   65.477  288.623   46.237  145.681   62.942 142.9418 78.09984 
1 1 1   21   10   11 o  196.085   39.944   85.713   41.609  149.537   51.745 -31.0671   69.994  261.159   52.592  131.011   60.134 130.1488 79.88727 
1 1 1   21   10   12 o  155.521   41.370   35.682   39.796   79.378   49.576 -43.4895   66.732  188.650   59.919  122.393   57.057 66.25765 82.73942 
1 1 1   21   10   13 o  346.510   49.355  256.054   66.738  256.054   66.738   0.0000   0.0000  346.510   49.355  ?   ?       ?      ? 
1 1 1   21   10   14 o  114.502   50.577  -4.6009   44.358  -4.6009   44.358   0.0000   0.0000  114.502   50.577  ?   ?       ?      ? 
1 1 1   21   10   15 o  339.331   47.856  245.798   63.371  245.798   63.371   0.0000   0.0000  339.331   47.856  ?   ?       ?      ? 
1 1 1   21   10   16 o  349.358   49.863  263.411   67.980  263.411   67.980   0.0000   0.0000  349.358   49.863  ?   ?       ?      ? 
1 1 1   21   10   17 o  238.599   54.405  155.798   54.174  168.690   57.440   51.973  163.001  271.885   56.001  205.313   93.292 66.57185 108.8094 
1 1 1   21   10   18 o  172.033   52.461   45.209   56.998   57.318   62.804 -11.3462  135.731  168.624   65.894  175.442   81.649 -6.818466 104.9214 
1 1 1   21   10   19 o  167.658   47.985   55.616   42.436   61.195   46.372   26.875  105.249  164.857   58.041  170.458   76.430 -5.601990 95.96999 
1 1 1   21   10   21 o  143.239   64.240   10.800   74.397   10.800   74.397   0.0000   0.0000  143.239   64.240  ?   ?       ?      ? 
1 1 1   21   10   22 o  153.415   54.881   53.979   41.619   53.979   41.619   0.0000   0.0000  153.415   54.881  ?   ?       ?      ? 
1 1 1   21   10   23 o  106.491   46.126   5.6485   35.341   5.6485   35.341   0.0000   0.0000  106.491   46.126  ?   ?       ?      ? 
1 1 1   21   10   24 o  130.173   51.641   31.235   39.094   31.235   39.094   0.0000   0.0000  130.173   51.641  ?   ?       ?      ? 
1 1 1   21   10   25 o  159.408   31.953   54.981   19.185   54.981   19.185   0.0000   0.0000  159.408   31.953  ?   ?       ?      ? 
1 1 1   21   11    0 o  158.455   37.602   48.202   18.804   49.979   19.504   24.752   70.851  155.160   33.214  161.750   67.472 -6.590439 75.20365 
1 1 1   21   11    1 o  675.295   29.816  909.277   78.572  909.277   78.572   0.0000   0.0000  675.295   29.816  ?   ?       ?      ? 
1 1 1   21   11    2 o  382.401   26.242  290.229   39.160  290.229   39.160   0.0000   0.0000  382.401   26.242  ?   ?       ?      ? 
1 1 1   21   11    3 o  340.615   50.557  306.192   58.238  352.036   67.155  167.120  116.965  415.776   41.389  265.454   92.255 150.3225 101.1136 
1 1 1   21   11    4 o  216.540   45.448  110.004   42.321  131.630   50.624   59.815   77.121  246.300   54.145  186.779   73.011 59.52136 90.89683 
1 1 1   21   11    5 o  215.601   43.093  109.344   41.979  150.436   52.574   37.061   69.729  263.944   52.884  167.258   68.053 96.68526 86.18534 
1 1 1   21   11    6 o  516.231   63.790  627.521   85.994  622.889   93.073  654.544  224.806  550.559   43.320  481.902  119.999 68.65652 127.5792 
1 1 1   21   11    7 o  181.311   70.048   59.515   70.354   0.0000   0.0000   59.515   70.354  ?   ?   181.311   70.048      ?      ? 
1 1 1   21   11    8 o  252.484   86.110  155.508  101.731   0.0000   0.0000  155.508  101.731  ?   ?   252.484   86.110      ?      ? 
1 1 1   21   11    9 o  138.650   41.686  -1.6732   41.802 -44.7100   57.666   45.984   60.683  112.394   52.607  164.905   64.680 -52.51086 83.37238 
1 1 1   21   11   10 o  482.773   47.728  491.168   89.918  491.168   89.918   0.0000   0.0000  482.773   47.728  ?   ?       ?      ? 
1 1 1   21   11   11 o  221.779   51.172  119.111   50.809  132.062   61.305   90.698   90.804  238.076   64.420  205.483   79.526 32.59306 102.3446 
1 1 1   21   11   12 o  366.203   56.354  370.183   69.146  403.577   78.594  255.806  145.455  437.179   46.068  295.228  102.863 141.9509 112.7079 
1 1 1   21   11   13 o  262.102   56.524  178.579   58.697  185.790   65.352  148.482  133.505  284.337   60.742  239.867   95.343 44.46976 113.0483 
1 1 1   21   11   14 o  229.966   57.814  127.084   57.601  126.912   63.611  127.866  135.750  230.375   66.838  229.557   94.352 0.8175812 115.6270 
1 1 1   21   11   15 o  156.597   49.316   17.727   51.787   33.276   56.228 -69.2164  132.958  149.989   61.078  163.205   77.445 -13.21568 98.63191 
1 1 1   21   11   16 o  358.839   61.916  398.182   81.490  428.723   90.192  262.432  190.152  442.223   52.263  275.456  112.262 166.7673 123.8313 
1 1 1   21   11   17 o  308.024   76.914  313.423  139.835  569.945  198.204   59.208  197.311  404.392  118.171  211.656   98.482 192.7360 153.8287 
1 1 1   21   11   18 o  193.796   59.173   77.112   81.620  100.251   97.641   23.438  148.712  201.336   81.022  186.256   86.262 15.08017 118.3454 
1 1 1   21   11   19 o  294.730   76.785  236.779   89.200  236.779   89.200   0.0000   0.0000  294.730   76.785  ?   ?       ?      ? 
1 1 1   21   11   20 o  183.786   60.764   83.850   50.689   83.850   50.689   0.0000   0.0000  183.786   60.764  ?   ?       ?      ? 
1 1 1   21   11   21 o  281.053   58.510  193.626   62.086  193.626   62.086   0.0000   0.0000  281.053   58.510  ?   ?       ?      ? 
1 1 1   21   11   22 o  172.219   72.526   66.579   83.071   66.579   83.071   0.0000   0.0000  172.219   72.526  ?   ?       ?      ? 
1 1 1   21   11   23 o  354.350   94.298  414.896  132.689  414.896  132.689   0.0000   0.0000  354.350   94.298  ?   ?       ?      ? 
1 1 1   21   11   24 o  103.109   48.912 -38.8563   52.944 -38.8563   52.944   0.0000   0.0000  103.109   48.912  ?   ?       ?      ? 
1 1 1   21   12    0 o  100.034   34.022  -0.8815   6.7122  -1.0793   6.7460   18.694   67.114   46.218   20.086  153.850   65.011 -107.6320 68.04338 
1 1 1   21   12    1 o  489.059  126.939  701.504  244.377   0.0000   0.0000  701.504  244.377  ?   ?   489.059  126.939      ?      ? 
1 1 1   21   12    2 o  307.792   55.496  166.428   53.394  132.101   58.229  347.761  133.832  242.902   61.399  372.682   92.464 -129.7803 110.9928 
1 1 1   21   12    3 o  677.745   71.371  834.074  102.206  769.708  106.123  1658.07  379.701  610.577   44.539  744.914  135.615 -134.3364 142.7411 
1 1 1   21   12    4 o  256.455   50.587  158.949   50.895  171.642   59.801  125.601   96.932  279.352   56.791  233.558   83.732 45.79416 101.1749 
1 1 1   21   12    5 o  350.778   52.807  260.899   72.286  260.899   72.286   0.0000   0.0000  350.778   52.807  ?   ?       ?      ? 
1 1 1   21   12    6 o  369.411   57.724  316.253   68.823  307.209   77.206  351.249  151.866  380.536   51.990  358.287  103.079 22.24939 115.4481 
1 1 1   21   12    7 o  244.072   52.758  146.193   55.665  165.443   69.246  111.035   93.584  267.147   66.643  220.996   81.807 46.15067 105.5163 
1 1 1   21   12    8 o  320.653   60.013  243.030   69.329  222.254   80.379  303.392  137.006  308.566   68.535  332.740   98.535 -24.17441 120.0258 
1 1 1   21   12    9 o  361.305   80.892  361.052  118.966  548.548  221.294  284.837  141.089  405.717  126.282  316.893  101.129 88.82480 161.7845 
1 1 1   21   12   10 f  302.926   45.671  215.244   62.264  399.479   89.494   42.411   86.681  429.704   53.370  176.147   74.128 253.5568 91.34168 
1 1 1   21   12   11 o  167.952   48.925   22.405   55.859 -41.1842   76.843   93.656   81.341  132.277   61.518  203.626   76.092 -71.34859 97.84929 
1 1 1   21   12   12 o  474.148   54.183  490.970  100.255  490.970  100.255   0.0000   0.0000  474.148   54.183  ?   ?       ?      ? 
1 1 1   21   12   13 o  175.625   52.236   47.752   58.670   69.784   66.185 -33.0771  126.769  181.777   68.498  169.473   78.883 12.30475 104.4723 
1 1 1   21   12   14 o  290.647   63.219  235.165   73.536  238.726   81.991  220.521  166.269  315.176   68.609  266.117  106.204 49.05902 126.4382 
1 1 1   21   12   15 o  207.959   54.892  107.109   68.598  153.761   76.300 -89.6093  156.680  246.453   73.659  169.465   81.406 76.98810 109.7844 
1 1 1   21   12   16 o  256.794   56.882  206.085   76.336  256.265   84.835  -7.3771  174.973  322.563   69.449  191.025   90.105 131.5375 113.7633 
1 1 1   21   12   17 o  240.169   69.789  187.880  106.303  206.666  128.183  146.501  190.240  254.641   95.449  225.698  101.840 28.94382 139.5777 
1 1 1   21   12   18 o  168.217   52.771   40.091   62.604   46.879   71.048   16.519  132.402  161.513   67.485  174.922   81.147 -13.40871 105.5421 
1 1 1   21   12   19 o  151.958   48.926   16.505   46.136   11.823   49.651   46.109  124.848  125.742   54.568  178.175   81.225 -52.43314 97.85265 
1 1 1   21   12   20 o  129.324   55.338   18.574   49.695   18.574   49.695   0.0000   0.0000  129.324   55.338  ?   ?       ?      ? 
1 1 1   21   12   21 o  268.344  106.543  319.031  166.539  319.031  166.539   0.0000   0.0000  268.344  106.543  ?   ?       ?      ? 
1 1 1   21   12   22 o  245.392   94.610  224.862  128.134  224.862  128.134   0.0000   0.0000  245.392   94.610  ?   ?       ?      ? 
1 1 1   21   12   23 o  143.080   63.577   20.573   71.113   20.573   71.113   0.0000   0.0000  143.080   63.577  ?   ?       ?      ? 
1 1 1   21   12   24 o  246.373   84.512  204.976   98.000  204.976   98.000   0.0000   0.0000  246.373   84.512  ?   ?       ?      ? 
1 1 1   21   13    0 o  170.699   61.946   58.153   53.251   58.153   53.251   0.0000   0.0000  170.699   61.946  ?   ?       ?      ? 
1 1 1   21   13    1 o  292.372   57.086  189.102   56.628  175.557   62.767  248.363  131.292  280.210   59.252  304.534   97.594 -24.32455 114.1727 
1 1 1   21   13    2 o  250.617   53.750  146.759   52.720  144.844   60.774  152.581  105.973  252.348   62.129  248.886   87.728 3.462372 107.4998 
1 1 1   21   13    3 o  402.543   60.650  329.739   71.803  293.954   78.004  528.318  183.756  370.463   53.956  434.623  108.639 -64.16022 121.3001 
1 1 1   21   13    4 o  175.495   50.221   41.697   51.502   19.861   63.776   82.628   87.318  149.811   63.343  201.178   77.950 -51.36726 100.4421 
1 1 1   21   13    5 o  302.195   53.911  234.535   64.608  265.342   77.957  166.964  115.455  349.207   57.206  255.183   91.394 94.02374 107.8211 
1 1 1   21   13    6 o  265.385   58.852  171.854   64.978  157.097   79.333  201.930  113.257  254.201   74.900  276.569   90.799 -22.36882 117.7049 
1 1 1   21   13    7 o  185.225   52.078   60.592   56.698   36.430   76.694   89.712   84.196  167.493   70.061  202.957   77.070 -35.46329 104.1555 
1 1 1   21   13    8 o  182.760   51.236   62.762   54.256   66.953   79.966   59.187   73.856  186.532   73.901  178.989   70.987 7.542984 102.4723 
1 1 1   21   13    9 o  255.431   56.157  167.392   65.276  215.120   88.026  109.082   97.296  294.716   76.034  216.146   82.664 78.56969 112.3144 
1 1 1   21   13   10 o  209.324   61.332   77.449   70.871  142.853  148.494   58.157   80.649  238.100   98.361  180.548   73.291 57.55151 122.6636 
1 1 1   21   13   11 f  235.214   66.598  131.009   85.530  183.662  161.829  110.600  100.752  254.179  103.575  216.248   83.748 37.93117 133.1969 
1 1 1   21   13   12 f  273.899   51.261  212.381   68.632  287.748   81.789   32.992  126.183  358.893   58.398  188.905   84.265 169.9878 102.5225 
1 1 1   21   13   13 o  221.933   53.588  123.423   72.961  204.534   84.069 -124.1265  146.867  285.128   74.670  158.738   76.883 126.3895 107.1756 
1 1 1   21   13   14 o  225.271   65.563  117.853   83.602   93.161   97.109  188.555  164.324  201.989   80.971  248.553  103.138 -46.56328 131.1256 
1 1 1   21   13   15 o  180.771   57.493   30.879   72.684   17.434   82.740   76.322  152.118  156.646   69.140  204.896   91.877 -48.24916 114.9857 
1 1 1   21   13   16 o  181.794   56.155   58.697   68.972   70.704   77.018   10.064  155.000  179.708   72.085  183.880   86.124 -4.171555 112.3106 
1 1 1   21   13   17 o  203.273   91.430  101.035  151.914   0.0000   0.0000  101.035  151.914  ?   ?   203.273   91.430      ?      ? 
1 1 1   21   13   18 f  165.794   54.509  -1.1569   87.214 -70.3075  124.898   64.648  121.839  148.349   71.620  183.239   82.192 -34.88937 109.0179 
1 1 1   21   13   19 o  154.258   51.668 -25.7980   71.917 -57.8506   84.511   58.351  136.932  126.025   60.339  182.490   83.890 -56.46465 103.3361 
1 1 1   21   13   20 o  225.922   86.379  167.410  106.220  167.410  106.220   0.0000   0.0000  225.922   86.379  ?   ?       ?      ? 
1 1 1   21   13   21 o  137.412   61.392   11.367   67.262   11.367   67.262   0.0000   0.0000  137.412   61.392  ?   ?       ?      ? 
1 1 1   21   13   22 o  157.162   67.428   46.036   74.132   46.036   74.132   0.0000   0.0000  157.162   67.428  ?   ?       ?      ? 
1 1 1   21   13   23 o  152.088   66.686   37.714   75.814   37.714   75.814   0.0000   0.0000  152.088   66.686  ?   ?       ?      ? 
1 1 1   21   14    0 o  206.292   52.306   98.785   54.139  118.037   63.679   48.582  102.829  224.343   67.347  188.240   80.051 36.10303 104.6120 
1 1 1   21   14    1 o  353.245   59.718  329.843   71.371  341.812   79.688  281.322  160.452  399.795   51.077  306.696  107.964 93.09863 119.4370 
1 1 1   21   14    2 o  180.455   68.289   65.515   65.958   65.515   65.958   0.0000   0.0000  180.455   68.289  ?   ?       ?      ? 
1 1 1   21   14    3 o  246.861   74.792  148.828   78.272  148.828   78.272   0.0000   0.0000  246.861   74.792  ?   ?       ?      ? 
1 1 1   21   14    4 o  245.204   53.775  152.324   59.671  187.555   76.809   98.692   94.767  279.860   70.395  210.547   81.311 69.31287 107.5496 
1 1 1   21   14    5 o  170.076   49.957   30.240   56.379 -13.2667   76.340   82.442   83.621  142.801   64.467  197.352   76.334 -54.55090 99.91393 
1 1 1   21   14    6 o  284.982   79.701  205.657   92.101  205.657   92.101   0.0000   0.0000  284.982   79.701  ?   ?       ?      ? 
1 1 1   21   14    7 o  198.430   54.369   83.894   59.500   94.320   91.528   76.263   78.303  205.869   79.796  190.991   73.869 14.87750 108.7384 
1 1 1   21   14    8 o  242.220   60.169  148.496   71.476  192.568  104.897  110.299   97.655  268.376   87.348  216.064   82.773 52.31209 120.3374 
1 1 1   21   14    9 o  254.702   60.030  165.472   71.655  227.891  106.732  114.255   96.681  291.569   87.113  217.835   82.619 73.73407 120.0610 
1 1 1   21   14   10 o  154.232   48.570   5.5206   57.990 -24.0734   98.779   21.084   71.633  154.566   71.127  153.897   66.162 0.6697693 97.14093 
1 1 1   21   14   11 o  186.668   51.842   71.565   57.143   98.320   72.406   27.384   93.046  203.488   72.430  169.848   74.190 33.63986 103.6833 
1 1 1   21   14   12 o  190.336   56.965   58.294   78.666  111.954   93.650 -70.3128  144.982  213.017   81.188  167.655   79.929 45.36198 113.9309 
1 1 1   21   14   13 o  199.521   61.742   39.938   94.631 -58.4108  125.114  171.417  144.660  158.431   75.164  240.611   97.972 -82.17967 123.4837 
1 1 1   21   14   14 o  207.725   64.770   77.230   98.091   20.581  121.765  181.956  165.558  176.600   80.394  238.850  101.573 -62.24950 129.5390 
1 1 1   21   14   15 o  266.572   71.044  259.578  113.018  339.564  143.613  129.457  183.173  315.988  102.155  217.156   98.759 98.83133 142.0880 
1 1 1   21   14   16 o  230.593   65.820  177.899   96.231  221.752  123.307  109.580  153.907  256.384   94.076  204.802   92.081 51.58195 131.6405 
1 1 1   21   14   17 o  143.723   48.705 -60.3086   77.184 -13.5887  116.598 -96.7498  102.976  157.377   74.025  130.068   63.315 27.30904 97.40910 
1 1 1   21   14   18 o  176.492   58.117   33.923   98.605 -11.1495  148.622   69.362  131.787  168.490   80.493  184.494   83.852 -16.00330 116.2337 
1 1 1   21   14   19 f  291.725   69.997  366.773  118.355  464.102  144.733  170.315  205.629  370.546   98.426  212.904   99.553 157.6412 139.9945 
1 1 1   21   14   20 o  128.662   59.794 -18.5585   72.383 -18.5585   72.383   0.0000   0.0000  128.662   59.794  ?   ?       ?      ? 
1 1 1   21   14   21 o  191.079   78.487  104.701   93.862  104.701   93.862   0.0000   0.0000  191.079   78.487  ?   ?       ?      ? 
1 1 1   21   14   22 o  137.873   63.586  -1.1262   79.555  -1.1262   79.555   0.0000   0.0000  137.873   63.586  ?   ?       ?      ? 
1 1 1   21   15    0 o  281.716   61.489  205.417   69.335  200.917   80.015  218.979  138.909  287.958   71.527  275.473  100.037 12.48483 122.9774 
1 1 1   21   15    1 o  243.247   62.491  123.893   67.356   87.946   76.925  242.012  139.442  198.591   74.039  287.903  100.692 -89.31267 124.9827 
1 1 1   21   15    2 o  209.965   56.388   44.225   63.245 -22.9634   74.148  223.637  121.165  136.514   62.374  283.416   93.958 -146.9018 112.7764 
1 1 1   21   15    3 o  143.311   45.886 -14.2956   55.183 -17.3966   77.590 -11.1217   78.498  141.660   64.367  144.963   65.414 -3.303619 91.77192 
1 1 1   21   15    4 o  232.678   84.124  136.947   98.075  136.947   98.075   0.0000   0.0000  232.678   84.124  ?   ?       ?      ? 
1 1 1   21   15    5 o  205.909   80.432   94.606   93.545   94.606   93.545   0.0000   0.0000  205.909   80.432  ?   ?       ?      ? 
1 1 1   21   15    6 o  352.302   81.140  315.289  109.251  315.289  109.251   0.0000   0.0000  352.302   81.140  ?   ?       ?      ? 
1 1 1   21   15    7 o  193.824   54.952   64.147   68.563 -12.4435  100.352  131.199   93.896  159.696   72.809  227.952   82.328 -68.25581 109.9046 
1 1 1   21   15    8 o  182.195   53.562   46.836   66.819 -19.8664   99.456  101.715   90.212  156.169   71.681  208.219   79.606 -52.05006 107.1232 
1 1 1   21   15    9 o  170.055   51.449   37.353   60.159   27.811   95.323   43.669   77.554  171.064   74.896  169.046   70.560 2.017685 102.8988 
1 1 1   21   15   10 o  155.822   48.555   3.0150   58.834   53.750   86.400 -40.8496   80.337  177.957   74.394  133.688   62.416 44.26953 97.10950 
1 1 1   21   15   11 o  150.717   48.545  -1.0554   57.676   11.048   66.636 -37.2018  115.155  143.109   62.640  158.326   74.181 -15.21725 97.09015 
1 1 1   21   15   12 o  257.785   65.494  195.279   78.456  192.214   88.200  206.900  171.724  267.075   79.053  248.496  104.443 18.57822 130.9873 
1 1 1   21   15   13 f  255.115   71.433  228.293  111.263  284.412  145.774  149.974  172.210  285.857  102.662  224.374   99.354 61.48323 142.8660 
1 1 1   21   15   14 o  188.080   58.116   59.765   89.024  136.241  110.976 -78.2869  149.103  215.926   86.559  160.234   77.573 55.69214 116.2327 
1 1 1   21   15   15 o  189.977   58.702   80.276   86.173  125.165  108.764   4.5855  141.233  207.506   84.774  172.449   81.223 35.05769 117.4047 
1 1 1   21   15   16 o  141.348   47.108 -37.8397   68.683   9.6171   94.975 -89.8670   99.443  153.777   70.386  128.918   62.631 24.85947 94.21687 
1 1 1   21   15   17 o  246.769   63.995  206.522   98.642  350.270  132.136   25.572  148.251  317.362   97.385  176.177   83.052 141.1854 127.9895 
1 1 1   21   15   18 o  139.636   48.722 -135.2531   95.297 -153.1944  144.179 -121.3341  126.993  141.308   69.977  137.964   67.813 3.344070 97.44418 
1 1 1   21   15   19 o  168.299   55.787   28.185   76.722   27.786   84.432   30.075  183.773  153.923   68.775  182.675   87.858 -28.75157 111.5749 
1 1 1   21   15   20 o   98.290   48.419 -101.3805   65.934 -101.3805   65.934   0.0000   0.0000   98.290   48.419  ?   ?       ?      ? 
1 1 1   21   15   21 o  197.438   84.272  127.577  114.723  127.577  114.723   0.0000   0.0000  197.438   84.272  ?   ?       ?      ? 
1 1 1   21   16    0 o  186.983   60.869   5.0877   99.007 -113.6012  198.131   44.588  114.301  185.582   89.742  188.383   82.259 -2.800629 121.7380 
1 1 1   21   16    1 o  253.902   75.045  173.002  115.214  247.889  215.722  143.115  136.278  272.385  115.892  235.419   95.374 36.96616 150.0905 
1 1 1   21   16    2 o  181.412   54.176   50.390   65.491   45.318   87.774   56.760   98.366  176.171   74.390  186.653   78.780 -10.48186 108.3521 
1 1 1   21   16    3 o  305.595   69.254  250.993   87.037  212.639  103.245  345.202  161.812  281.319   86.042  329.871  108.542 -48.55243 138.5086 
1 1 1   21   16    4 o  314.650   63.072  286.812   85.890  342.209  109.272  197.257  138.935  369.306   78.253  259.994   98.937 109.3123 126.1434 
1 1 1   21   16    5 o  292.487   68.850  204.007   90.648  108.442  108.399  426.246  165.305  214.280   85.672  370.695  107.803 -156.4155 137.6998 
1 1 1   21   16    6 o  162.689   50.476   6.0783   65.535 -70.5883   99.399   65.032   87.164  140.343   66.703  185.035   75.776 -44.69179 100.9520 
1 1 1   21   16    7 o  242.694   58.651  157.189   71.775  215.404   96.957   86.609  106.760  283.920   82.560  201.468   83.328 82.45248 117.3020 
1 1 1   21   16    8 o  283.682   83.729  218.844   99.066  218.844   99.066   0.0000   0.0000  283.682   83.729  ?   ?       ?      ? 
1 1 1   21   16    9 o  125.365   60.169 -79.3703   85.180 -79.3703   85.180   0.0000   0.0000  125.365   60.169  ?   ?       ?      ? 
1 1 1   21   16   10 o  157.990   68.288   28.995   77.136   28.995   77.136   0.0000   0.0000  157.990   68.288  ?   ?       ?      ? 
1 1 1   21   16   11 o  179.176   79.321   47.303  109.701   47.303  109.701   0.0000   0.0000  179.176   79.321  ?   ?       ?      ? 
1 1 1   21   16   12 o  213.201   67.087  127.979  113.640   89.303  176.158  155.546  148.725  204.138   94.311  222.264   95.436 -18.12563 134.1743 
1 1 1   21   16   13 o  189.180   60.518   34.623   97.955  180.595  149.747 -74.5553  129.507  227.753   96.722  150.606   72.763 77.14709 121.0354 
1 1 1   21   16   14 o  179.372   55.139   47.693   80.488  137.630  104.940 -80.8099  125.438  212.671   84.531  146.073   70.822 66.59837 110.2782 
1 1 1   21   16   15 o  178.736   55.061   46.349   81.154  143.549  106.415 -88.7618  125.462  213.827   85.081  143.644   69.915 70.18221 110.1225 
1 1 1   21   16   16 o  149.681   49.841 -18.5158   75.188 -10.1521  105.253 -27.2315  107.444  151.501   70.962  147.861   70.006 3.639008 99.68208 
1 1 1   21   16   17 o  167.637   54.541   30.546   82.336   55.862  102.616 -15.2091  137.954  172.181   76.446  163.093   77.813 9.087967 109.0823 
1 1 1   21   16   18 o  194.193   63.854   74.302  120.410  215.218  173.762 -55.8741  167.010  224.685   99.631  163.701   79.893 60.98337 127.7077 
1 1 1   21   16   19 o  174.982   55.854   58.353   86.426  108.723   94.697 -192.8085  211.460  192.340   78.900  157.624   79.080 34.71625 111.7088 
1 1 1   21   16   20 o  201.058   84.049  136.057  110.281  136.057  110.281   0.0000   0.0000  201.058   84.049  ?   ?       ?      ? 
1 1 1   21   17    0 f  168.034   53.786   5.9972   75.131   8.1491   99.126   3.0923  115.173  164.514   73.939  171.553   78.132 -7.039261 107.5714 
1 1 1   21   17    1 o  177.077   55.518   23.657   78.178 -27.9010  115.799   66.838  105.975  162.363   75.513  191.791   81.404 -29.42868 111.0351 
1 1 1   21   17    2 o  340.786  116.483  413.273  186.157   0.0000   0.0000  413.273  186.157  ?   ?   340.786  116.483      ?      ? 
1 1 1   21   17    3 o  190.565   63.002  -8.8457   87.819  147.365  203.893 -44.4258   97.308  235.768  105.996  145.361   68.133 90.40782 126.0048 
1 1 1   21   17    4 o  494.241   65.396  574.212  126.132  574.212  126.132   0.0000   0.0000  494.241   65.396  ?   ?       ?      ? 
1 1 1   21   17    5 o  194.119   54.774   75.945   65.472  132.952   93.771   21.717   91.456  224.057   82.065  164.180   72.566 59.87630 109.5473 
1 1 1   21   17    6 o  276.619   63.182  229.482   79.335  248.439   97.213  191.676  137.280  304.530   80.558  248.708   97.357 55.82266 126.3647 
1 1 1   21   17    7 o  183.980   55.116   64.380   68.640   73.345   94.424   54.333   99.956  187.541   78.032  180.420   77.860 7.120880 110.2324 
1 1 1   21   17    8 o  206.211   57.723  106.780   72.067  153.482   98.457   52.881  105.771  231.947   84.222  180.476   78.959 51.47090 115.4465 
1 1 1   21   17    9 o  198.727   58.692   83.598   79.991  166.081  115.330   7.1390  111.039  232.739   89.751  164.716   75.654 68.02303 117.3831 
1 1 1   21   17   10 o  174.693   56.089   34.754   83.126   51.303  107.909   10.599  130.365  177.271   78.565  172.115   80.073 5.156143 112.1789 
1 1 1   21   17   11 o  157.824   51.913 -24.9387   82.008   59.443  109.308 -133.5976  124.039  179.166   79.254  136.482   67.072 42.68346 103.8261 
1 1 1   21   17   12 o  182.088   56.918   64.572   82.523  109.218  107.676   1.0186  128.470  198.285   82.984  165.890   77.924 32.39505 113.8360 
1 1 1   21   17   13 f  202.428   63.007  107.785   91.913   61.768  113.537  195.286  156.562  178.443   79.740  226.413   97.577 -47.97014 126.0146 
1 1 1   21   17   14 f  165.030   76.072   23.246  113.659   23.246  113.659   0.0000   0.0000  165.030   76.072  ?   ?       ?      ? 
1 1 1   21   17   15 o  191.406   89.059   82.577  161.348   82.577  161.348   0.0000   0.0000  191.406   89.059  ?   ?       ?      ? 
1 1 1   21   17   16 o  228.413   98.120  211.683  157.331  211.683  157.331   0.0000   0.0000  228.413   98.120  ?   ?       ?      ? 
1 1 1   21   17   17 o  148.812   68.571   6.4326   92.230   6.4326   92.230   0.0000   0.0000  148.812   68.571  ?   ?       ?      ? 
1 1 1   21   17   18 o  140.382   69.851 -160.7241  150.483 -160.7241  150.483   0.0000   0.0000  140.382   69.851  ?   ?       ?      ? 
1 1 1   21   18    0 o  154.148   50.758 -26.7007   72.255   11.299  115.017 -51.4739   92.867  170.239   77.744  138.058   65.280 32.18123 101.5169 
1 1 1   21   18    1 o  155.481   50.787 -14.9578   71.713   6.2081  107.315 -32.0354   96.396  164.777   75.190  146.184   68.291 18.59386 101.5739 
1 1 1   21   18    2 o  284.872   71.541  235.166   93.784  161.466  111.729  410.931  172.544  234.494   88.846  335.250  112.155 -100.7559 143.0815 
1 1 1   21   18    3 o  162.740   51.878   12.189   70.208 -16.9873   99.237   41.427   99.341  152.120   70.457  173.360   76.166 -21.24031 103.7567 
1 1 1   21   18    4 o  146.732   66.986  -5.8231   85.292   0.0000   0.0000  -5.8231   85.292  ?   ?   146.732   66.986      ?      ? 
1 1 1   21   18    5 o  219.662   90.928  142.191  127.273   0.0000   0.0000  142.191  127.273  ?   ?   219.662   90.928      ?      ? 
1 1 1   21   18    6 o  211.542   57.587  121.277   73.834  182.719   96.739   35.545  114.272  248.553   83.975  174.532   78.825 74.02138 115.1745 
1 1 1   21   18    7 o  262.863   78.348  270.352  125.678  441.756  239.706  205.373  147.590  285.716  121.879  240.010   98.483 45.70593 156.6950 
1 1 1   21   18    8 o  139.145   47.062 -58.1849   72.095 -61.9086  106.858 -55.0737   97.675  141.123   67.642  137.166   65.452 3.957275 94.12443 
1 1 1   21   18    9 o  196.874   59.763  100.749   85.303  143.648  113.227   44.440  129.722  215.084   87.005  178.664   81.954 36.42055 119.5251 
1 1 1   21   18   10 o  232.624   68.071  194.286   98.088  172.161  122.232  234.303  164.387  225.643   90.706  239.604  101.524 -13.96037 136.1419 
1 1 1   21   18   11 o  134.403   45.661 -76.2385   71.607  -8.2006   98.232 -153.3885  104.603  148.999   69.382  119.808   59.378 29.19098 91.32143 
1 1 1   21   18   12 o  149.884   50.353 -29.1483   78.184 -39.0559  101.105 -14.4109  123.310  141.422   67.232  158.345   74.978 -16.92328 100.7066 
1 1 1   21   18   13 o  185.397   58.562   62.340   92.731  156.145  125.709 -49.6365  137.346  214.926   89.782  155.869   75.214 59.05635 117.1235 
1 1 1   21   18   14 o  189.633   59.757   92.973   89.350   94.747  120.261   90.786  133.491  189.629   83.544  189.637   85.463 -0.7659912E-02 119.5137 
1 1 1   21   18   15 f  141.619   47.241 -28.1686   68.288 -61.4163   94.903   7.5293   98.337  130.924   63.010  152.314   70.403 -21.38991 94.48193 
1 1 1   21   18   16 o  159.212   53.273  -0.4235   87.779 -11.2858  123.304   10.738  124.989  156.206   74.257  162.217   76.406 -6.011703 106.5455 
1 1 1   21   18   17 o  206.755   63.425  161.987  101.839  205.906  122.783   65.166  182.304  230.607   91.507  182.904   87.848 47.70302 126.8496 
1 1 1   21   19    0 o  224.548   63.706  149.297   79.888  123.836   95.710  207.783  145.062  208.777   81.411  240.319   98.010 -31.54256 127.4114 
1 1 1   21   19    1 o  182.639   53.100   72.998   65.835  120.912   83.907  -3.7460  106.192  208.500   77.407  156.777   72.709 51.72366 106.2000 
1 1 1   21   19    2 o  179.766   52.856   73.415   61.345   88.301   75.498   44.490  105.241  187.005   72.476  172.527   76.957 14.47829 105.7129 
1 1 1   21   19    3 o  219.784   60.528  118.191   66.429   77.506   76.630  241.207  133.249  179.921   71.998  259.647   97.319 -79.72511 121.0563 
1 1 1   21   19    4 o  174.584   53.433   17.260   61.995 -39.4472   72.890  165.572  117.879  123.366   58.180  225.803   89.642 -102.4374 106.8669 
1 1 1   21   19    5 f  218.702   70.494  146.274  114.912  289.458  248.219  107.216  129.641  238.344  110.753  199.060   87.244 39.28369 140.9885 
1 1 1   21   19    6 o  191.504   62.985   72.071  105.307   75.814  212.870   70.858  121.173  198.771   95.325  184.237   82.350 14.53394 125.9700 
1 1 1   21   19    7 o  329.338  131.009  656.305  252.248   0.0000   0.0000  656.305  252.248  ?   ?   329.338  131.009      ?      ? 
1 1 1   21   19    8 o  149.959   50.946 -61.7506   89.760 -189.5600  151.660   7.1580  111.359  140.249   69.840  159.669   74.191 -19.42050 101.8912 
1 1 1   21   19    9 o  179.677   59.494   40.975  104.684   21.983  150.351   58.844  145.843  175.714   83.079  183.640   85.183 -7.925934 118.9882 
1 1 1   21   19   10 o  189.674   61.514   75.424  105.387   7.1234  151.545  139.387  146.655  172.451   82.078  206.898   91.647 -34.44731 123.0287 
1 1 1   21   19   11 o  169.652   56.433   10.769   96.268 -37.7996  133.894   62.745  138.512  156.758   75.289  182.546   84.085 -25.78816 112.8661 
1 1 1   21   19   12 o  195.338   63.177   94.229  110.625   7.7528  156.537  180.507  156.358  172.823   82.575  217.854   95.639 -45.03084 126.3547 
1 1 1   21   19   13 o  176.890   56.577   48.549   80.703  -1.9287  101.656  134.590  132.721  150.803   70.342  202.976   88.635 -52.17329 113.1550 
1 1 1   21   19   14 o  169.499   54.193   38.967   73.967  -5.8103   93.176  115.268  121.631  144.624   67.421  194.374   84.865 -49.74992 108.3865 
1 1 1   21   19   15 o  169.883   54.777   50.020   82.646   90.634  107.519  -8.6294  129.204  182.267   79.679  157.500   75.189 24.76675 109.5544 
1 1 1   21   20    0 o  126.049   42.909 -60.0392   56.914 -73.3079   69.279 -32.4945   99.817  109.299   52.905  142.798   67.570 -33.49815 85.81744 
1 1 1   21   20    1 o  175.322   52.094   69.986   57.930   73.837   68.612   60.427  108.110  174.255   68.639  176.390   78.383 -2.135010 104.1882 
1 1 1   21   20    2 o  198.734   51.956  112.722   59.225  149.026   71.353   32.318  106.189  231.832   71.633  165.635   75.277 66.19643 103.9130 
1 1 1   21   20    3 o  207.754   69.251  113.673  117.050  299.516  288.212   76.966  128.089  229.496  110.288  186.012   83.783 43.48430 138.5027 
1 1 1   21   20    4 o  186.768   62.835   53.606  110.656   25.824  263.539   59.552  121.924  194.538   96.016  178.999   81.079 15.53972 125.6697 
1 1 1   21   20    5 o  178.225   59.950   27.211  108.872 -73.6502  231.068   55.991  123.431  178.422   88.397  178.028   81.005 0.3943787 119.8991 
1 1 1   21   20    6 o  209.794   67.868  152.673  125.484  111.228  220.197  172.605  152.707  202.102   96.931  217.486   95.020 -15.38419 135.7363 
1 1 1   21   20    7 o  167.626   55.806   10.080   94.196  -2.9370  137.923   21.460  128.956  166.051   78.820  169.202   79.025 -3.150513 111.6130 
1 1 1   21   20    8 o  182.719   59.130   54.093   95.233 -13.2063  128.469  136.188  141.890  160.109   76.020  205.329   90.589 -45.22026 118.2596 
1 1 1   21   20    9 o  189.416   59.900   83.743   96.001  152.583  125.989 -11.5608  148.241  212.191   89.336  166.641   79.819 45.54974 119.8003 
1 1 1   21   20   10 o  197.457   61.639  112.339   90.970   80.353  116.810  161.640  145.019  182.984   81.387  211.930   92.595 -28.94606 123.2788 
1 1 1   21   20   11 o  160.990   52.990   18.902   78.457   25.727   96.209   5.3535  135.558  157.062   71.485  164.917   78.241 -7.855377 105.9797 
1 1 1   21   20   12 o  140.842   47.364 -27.0974   69.295  -3.6523   83.387 -79.4184  124.570  139.735   64.673  141.949   69.216 -2.213852 94.72858 
1 1 1   21   20   13 o  162.275   72.289   48.580   92.533   48.580   92.533   0.0000   0.0000  162.275   72.289  ?   ?       ?      ? 
1 1 1   21   21    0 o  157.109   66.264   46.933   69.517   46.933   69.517   0.0000   0.0000  157.109   66.264  ?   ?       ?      ? 
1 1 1   21   21    1 o  223.011  108.323  275.718  297.086  275.718  297.086   0.0000   0.0000  223.011  108.323  ?   ?       ?      ? 
1 1 1   21   21    2 o  193.581   65.509   74.735  123.285  127.987  275.364   61.384  137.875  205.333  100.709  181.830   83.806 23.50243 131.0180 
1 1 1   21   21    3 o  200.295   64.926  108.009  130.234 -204.9705  267.017  205.703  149.181  171.761   86.527  228.829   96.823 -57.06786 129.8522 
1 1 1   21   21    4 o  211.196   69.698   60.944  117.211  462.305  238.021 -67.5424  134.672  271.702  118.670  150.690   73.134 121.0117 139.3960 
1 1 1   21   21    5 o  203.754   66.513  128.581  118.834  199.372  198.335   88.935  148.425  217.368  100.300  190.140   87.382 27.22807 133.0255 
1 1 1   21   21    6 o  176.007   58.384   7.5655  107.990 -151.3170  159.686  141.467  146.595  147.016   72.950  204.998   91.177 -57.98174 116.7686 
1 1 1   21   21    7 o  196.550   62.797  104.858  109.202 -13.4509  165.516  196.053  145.317  169.696   82.051  223.403   95.087 -53.70720 125.5943 
1 1 1   21   21    8 o  136.850   46.723 -62.4024   75.212 -59.1741  107.524 -65.4952  105.243  138.183   66.646  135.518   65.502 2.665131 93.44627 
1 1 1   21   21    9 o  234.148   66.034  211.965   96.145  293.547  134.684  127.192  137.293  270.867   98.482  197.428   87.994 73.43900 132.0670 
1 1 1   21   21   10 o  153.224   49.943  -1.1913   73.133   79.198  100.672 -91.0186  106.418  176.787   77.197  129.660   63.386 47.12727 99.88568 
1 1 1   21   22    0 f  185.640   62.609   63.931  127.473   4.7612  203.159  102.352  163.710  179.073   87.550  192.207   89.524 -13.13345 125.2180 
1 1 1   21   22    1 o  210.811   71.591  173.589  161.716  372.423  268.516   60.422  202.575  234.294  110.852  187.328   90.624 46.96626 143.1814 
1 1 1   21   22    2 o  174.383   60.950 -38.6086  140.719   48.440  245.232 -81.3413  171.822  189.340   93.292  159.425   78.463 29.91573 121.9009 
1 1 1   21   22    3 o  192.662   65.337   97.758  140.490   94.378  222.745   99.990  181.042  193.373   93.897  191.951   90.878 1.422363 130.6731 
1 1 1   21   22    4 o  146.292   72.715 -147.6593  161.321 -147.6593  161.321   0.0000   0.0000  146.292   72.715  ?   ?       ?      ? 
1 1 1   21   22    5 o  178.684   83.129   65.636  140.505   65.636  140.505   0.0000   0.0000  178.684   83.129  ?   ?       ?      ? 
1 1 1   21   22    6 o  173.714   80.871   54.470  133.334   54.470  133.334   0.0000   0.0000  173.714   80.871  ?   ?       ?      ? 
1 1 1   22    0    0 o  1284.41   30.649  3273.61  216.691  3273.61  216.691  3273.61  216.691  1284.41   43.344  1284.41   43.344 0.000000 0.000000 
1 1 1   22    0    2 o   47.453   22.583  -7.1846   16.923  -7.1846   16.923  -7.1846   16.923   47.453   31.937   47.453   31.937 0.000000 0.000000 
1 1 1   22    0    3 o  425.137   17.822  358.015   41.478  358.015   41.478  358.015   41.478  425.137   25.204  425.137   25.204 -0.000000 0.000000 
1 1 1   22    0    4 o  333.444   17.429  221.462   31.671  221.462   31.671  221.462   31.671  333.444   24.649  333.444   24.649 -0.000000 0.000000 
1 1 1   22    0    5 o  226.591   18.316  104.543   22.131  104.543   22.131  104.543   22.131  226.591   25.903  226.591   25.903 0.000000 0.000000 
1 1 1   22    0    6 o  140.193   21.128   43.394   14.365   43.394   14.365   43.394   14.365  140.193   29.879  140.193   29.879 -0.000000 0.000000 
1 1 1   22    0    7 o  673.832   20.692  897.444   76.619  897.444   76.619  897.444   76.619  673.832   29.263  673.832   29.263 0.000000 0.000000 
1 1 1   22    0    8 f  404.250   17.467  324.176   38.635  324.176   38.635  324.176   38.635  404.250   24.702  404.250   24.702 0.000000 0.000000 
1 1 1   22    0   10 o  388.616   24.557  305.323   51.699  305.323   51.699  305.323   51.699  388.616   34.728  388.616   34.728 0.000000 0.000000 
1 1 1   22    0   11 o  152.990   34.191   58.451   25.382   58.451   25.382   58.451   25.382  152.990   48.353  152.990   48.353 -0.000000 0.000000 
1 1 1   22    0   12 o  301.212   24.556  186.518   39.410  186.518   39.410  186.518   39.410  301.212   34.727  301.212   34.727 0.000000 0.000000 
1 1 1   22    0   13 o  618.816   28.779  773.865   97.308  773.865   97.308  773.865   97.308  618.816   40.699  618.816   40.699 0.000000 0.000000 
1 1 1   22    0   15 o  139.639   36.152   52.196   25.710   52.196   25.710   52.196   25.710  139.639   51.127  139.639   51.127 0.000000 0.000000 
1 1 1   22    0   16 o  609.051  121.604  1173.00  353.943  1173.00  353.943  1173.00  353.943  609.051  171.974  609.051  171.974 -0.000000 0.000000 
1 1 1   22    0   17 o  327.335   24.959  221.091   43.762  221.091   43.762  221.091   43.762  327.335   35.298  327.335   35.298 -0.000000 0.000000 
1 1 1   22    1    0 o  376.562   17.236  278.971   25.322  274.260   35.347  283.937   36.292  373.312   24.263  379.812   24.486 -6.499207 34.47108 
1 1 1   22    1    1 o  256.036   17.238  128.820   17.205  120.840   23.854  137.472   24.837  247.758   24.672  264.314   24.080 -16.55580 34.47545 
1 1 1   22    1    2 o  196.256   28.638   80.667   21.492  100.984   29.522   57.758   31.349  225.630   33.529  166.882   46.437 58.74770 57.27678 
1 1 1   22    1    3 o   83.687   19.903   12.826   7.7366   15.308   11.005   10.402   10.879   88.836   28.232   78.538   28.063 10.29785 39.80653 
1 1 1   22    1    4 o  525.290   18.626  544.067   38.176  557.038   54.292  531.382   53.691  531.517   26.175  519.063   26.506 12.45349 37.25190 
1 1 1   22    1    5 o  212.867   17.485   89.144   14.501   82.195   20.133   96.635   20.903  204.214   25.263  221.520   24.180 -17.30647 34.97037 
1 1 1   22    1    6 o  690.980   20.746  944.753   55.939  956.518   79.548  933.244   78.680  695.242   29.320  686.718   29.360 8.523865 41.49263 
1 1 1   22    1    7 o  478.868   18.076  452.387   33.774  445.233   47.227  459.876   48.318  475.013   25.478  482.724   25.650 -7.711426 36.15253 
1 1 1   22    1    8 o  428.909   21.084  347.326   32.594  321.657   38.608  411.005   60.809  403.782   24.502  454.037   34.320 -50.25525 42.16867 
1 1 1   22    1    9 o  320.789  101.648  248.806  142.736   0.0000   0.0000  248.806  142.736  ?   ?   320.789  101.648      ?      ? 
1 1 1   22    1   10 o  227.566   37.397  104.076   33.211   0.0000   0.0000  104.076   33.211  ?   ?   227.566   37.397      ?      ? 
1 1 1   22    1   11 o   90.815   21.782   16.548   9.0434   21.219   9.8890  -7.3182   22.352  101.557   25.097   80.073   35.609 21.48380 43.56442 
1 1 1   22    1   12 o  324.509   24.325  212.911   30.562  240.537   42.955  184.592   43.491  346.658   31.753  302.360   36.859 44.29758 48.64991 
1 1 1   22    1   13 o  251.780   24.740  125.613   23.944   99.021   31.787  160.494   36.406  221.077   36.844  282.483   33.025 -61.40529 49.47907 
1 1 1   22    1   14 o  433.362   26.829  388.774   44.582  438.440   60.689  330.558   65.706  466.007   33.372  400.717   42.018 65.28992 53.65823 
1 1 1   22    1   15 o  191.127   52.072   80.548   39.894   0.0000   0.0000   80.548   39.894  ?   ?   191.127   52.072      ?      ? 
1 1 1   22    1   16 o  511.188  142.735  939.183  295.642   0.0000   0.0000  939.183  295.642  ?   ?   511.188  142.735      ?      ? 
1 1 1   22    1   17 o  236.064   37.475  172.309   36.342  212.145   39.895 -21.9303   88.094  323.430   31.609  148.698   67.959 174.7324 74.94978 
1 1 1   22    2    0 o  1015.74   25.968  2047.18  102.704  1966.80  139.716  2141.68  151.488  994.500   36.000  1036.98   37.435 -42.48059 51.93647 
1 1 1   22    2    1 o  1020.18   26.006  2063.76  103.255  1971.26  139.930  2174.33  152.990  995.587   36.016  1044.77   37.524 -49.17975 52.01205 
1 1 1   22    2    2 o  245.542   20.628  120.081   18.777  116.040   31.695  122.267   23.307  241.830   33.585  249.253   23.962 -7.423447 41.25661 
1 1 1   22    2    3 o  282.505   22.974  161.138   22.535  164.856   26.597  151.678   42.428  289.450   23.547  275.560   39.455 13.88940 45.94740 
1 1 1   22    2    4 o  108.454   20.044   24.074   8.6033   26.682   12.201   21.496   12.133  114.013   27.697  102.895   28.981 11.11744 40.08788 
1 1 1   22    2    5 o  213.713   15.962   89.650   13.289   86.675   18.157   93.082   19.501  209.934   22.163  217.492   22.977 -7.557693 31.92367 
1 1 1   22    2    6 o  247.246   24.707  129.092   20.269  136.390   23.998  110.928   37.860  263.182   23.366  231.309   43.540 31.87289 49.41357 
1 1 1   22    2    7 o  134.613   24.197   17.121   10.247   8.3599   10.955   78.433   28.981   74.710   27.924  194.516   39.526 -119.8063 48.39479 
1 1 1   22    2    8 o  371.979   19.900  222.166   25.096  177.126   28.220  392.458   54.872  299.652   24.133  444.306   31.648 -144.6535 39.79909 
1 1 1   22    2    9 o  287.717   45.284  137.433   23.239  133.116   23.760  232.482  111.495  259.751   23.440  315.682   87.481 -55.93112 90.56706 
1 1 1   22    2   10 o  232.695   23.905   88.052   18.843   47.140   22.088  197.445   36.118  150.242   37.726  315.147   29.368 -164.9056 47.80959 
1 1 1   22    2   11 o  134.811   26.314   32.741   10.590   31.236   11.317   43.343   30.036  123.579   24.332  146.043   46.666 -22.46419 52.62860 
1 1 1   22    2   12 o  323.285   23.055  215.535   25.940  223.678   30.813  195.720   48.064  336.169   23.488  310.401   39.680 25.76743 46.11040 
1 1 1   22    2   13 o  239.234   32.422  132.619   27.630  160.264   34.612   84.054   45.875  282.620   31.383  195.848   56.743 86.77220 64.84324 
1 1 1   22    2   14 o  294.711   36.419  219.969   36.026  282.340   44.710  104.517   60.830  374.884   30.562  214.539   66.115 160.3448 72.83725 
1 1 1   22    2   15 o  165.993   36.934   62.973   21.995   68.472   23.095   9.3555   72.115  181.114   33.923  150.872   65.619 30.24220 73.86887 
1 1 1   22    2   16 o  440.847   62.570  434.811  107.642   0.0000   0.0000  434.811  107.642  ?   ?   440.847   62.570      ?      ? 
1 1 1   22    2   17 o  302.504   43.937  299.781   46.192  351.049   50.591   42.846  113.255  416.230   31.146  188.779   82.169 227.4517 87.87439 
1 1 1   22    2   18 o  224.658   92.899  117.439  132.649   0.0000   0.0000  117.439  132.649  ?   ?   224.658   92.899      ?      ? 
1 1 1   22    3    0 o  471.066   18.195  435.969   33.396  411.645   45.723  463.782   48.893  457.043   25.636  485.089   25.828 -28.04520 36.39076 
1 1 1   22    3    1 o  296.153   17.042  172.730   19.679  174.909   27.371  170.398   28.313  298.149   23.525  294.157   24.665 3.991486 34.08475 
1 1 1   22    3    2 o  250.048   33.978  124.163   33.155  124.163   33.155   0.0000   0.0000  250.048   33.978  ?   ?       ?      ? 
1 1 1   22    3    3 o  188.319   24.430   52.504   14.449   41.192   15.802  110.187   35.683  141.773   29.521  234.865   38.933 -93.09151 48.85946 
1 1 1   22    3    4 o  146.969   27.236   35.030   12.727   29.383   13.930   63.542   31.303  119.549   29.928  174.389   45.513 -54.84081 54.47121 
1 1 1   22    3    5 o  475.311   21.350  358.653   33.822  289.683   37.736  640.399   76.270  383.290   25.229  567.331   34.450 -184.0412 42.69967 
1 1 1   22    3    6 o  231.944   26.379  114.316   19.596  119.338   22.677   99.510   38.936  246.120   23.610  217.768   47.181 28.35234 52.75859 
1 1 1   22    3    7 o  279.667   20.842  111.912   18.247   87.974   19.861  241.468   46.206  211.217   24.096  348.117   34.013 -136.8999 41.68311 
1 1 1   22    3    8 o  147.397   28.562   34.191   12.335   30.106   13.166   63.512   35.276  120.896   28.390  173.897   49.569 -53.00090 57.12395 
1 1 1   22    3    9 o  487.533   50.537  413.813   43.475  400.934   44.622  654.705  192.984  450.272   25.395  524.794   97.831 -74.52249 101.0736 
1 1 1   22    3   10 o  260.075   27.172  132.967   20.974  129.750   23.238  147.107   48.721  256.312   23.233  263.837   49.129 -7.525146 54.34489 
1 1 1   22    3   11 o  302.985   34.791  218.003   36.152  312.409   48.243   97.091   54.597  395.418   31.264  210.553   62.162 184.8642 69.58138 
1 1 1   22    3   12 o  162.314   29.073   33.815   11.074   29.533   11.480   91.072   41.981  119.813   25.345  204.816   52.331 -85.00327 58.14595 
1 1 1   22    3   13 o  207.934   32.706  116.637   28.571  158.345   33.584   7.3651   54.360  280.997   30.627  134.872   57.799 146.1249 65.41188 
1 1 1   22    3   14 o  208.630   33.263  118.010   20.371  128.771   21.834   45.690   56.601  254.906   21.949  162.355   62.801 92.55096 66.52591 
1 1 1   22    3   15 o  228.817   37.508  155.357   29.946  177.410   32.198   14.066   81.499  297.506   27.733  160.127   69.701 137.3787 75.01603 
1 1 1   22    3   17 o  253.236   32.490  130.420   32.107  130.420   32.107   0.0000   0.0000  253.236   32.490  ?   ?       ?      ? 
1 1 1   22    3   18 o  330.755   53.264  350.360   53.918  375.681   56.868  125.181  169.586  428.627   33.999  232.883  100.956 195.7440 106.5271 
1 1 1   22    3   19 o   74.631   29.164   7.2286   12.302   7.2286   12.302   0.0000   0.0000   74.631   29.164  ?   ?       ?      ? 
1 1 1   22    3   21 o  199.387   33.110   82.075   25.763   82.075   25.763   0.0000   0.0000  199.387   33.110  ?   ?       ?      ? 
1 1 1   22    3   22 o  253.673   32.846  133.689   32.515  133.689   32.515   0.0000   0.0000  253.673   32.846  ?   ?       ?      ? 
1 1 1   22    4    0 o  674.849   20.651  898.836   54.318  867.143   74.602  934.595   79.243  662.316   28.864  687.382   29.542 -25.06598 41.30145 
1 1 1   22    4    1 o  125.017   28.507   31.177   13.427   33.706   14.546   16.610   34.912  128.034   29.691  121.999   48.673 6.034683 57.01398 
1 1 1   22    4    2 o  326.764   25.383  208.927   32.026  188.157   41.747  238.629   49.924  307.575   34.781  345.952   36.979 -38.37720 50.76631 
1 1 1   22    4    3 o  257.458   25.883  133.325   21.526  132.770   24.713  135.071   43.822  259.599   24.395  255.317   45.658 4.282639 51.76673 
1 1 1   22    4    4 o  331.379   28.900  252.096   29.851  286.828   35.360  165.936   55.692  381.611   23.744  281.147   52.697 100.4637 57.79903 
1 1 1   22    4    5 o  477.984   22.991  454.795   39.787  456.250   48.108  451.645   70.775  480.825   25.639  475.144   38.170 5.681061 45.98170 
1 1 1   22    4    6 o  218.392   23.991   71.132   16.180   58.744   17.569  140.350   41.528  172.448   26.107  264.336   40.258 -91.88751 47.98219 
1 1 1   22    4    7 o  281.548   22.450   85.655   17.343   61.800   18.289  298.525   54.632  176.781   26.510  386.314   36.239 -209.5331 44.90025 
1 1 1   22    4    8 o  681.427   29.106  921.722   77.399  921.722   77.399   0.0000   0.0000  681.427   29.106  ?   ?       ?      ? 
1 1 1   22    4    9 o  287.472   42.594  126.614   22.461  120.689   23.001  248.366  104.268  247.173   23.845  327.771   81.783 -80.59865 85.18813 
1 1 1   22    4   10 o  501.907   29.960  575.715   49.838  669.842   60.283  372.451   88.587  581.082   26.584  422.732   53.700 158.3505 59.91982 
1 1 1   22    4   11 o  201.387   29.952  126.468   21.804  152.328   23.739 -13.0939   55.147  277.702   21.905  125.072   55.755 152.6302 59.90352 
1 1 1   22    4   12 o  317.042   56.743  218.573   67.626   0.0000   0.0000  218.573   67.626  ?   ?   317.042   56.743      ?      ? 
1 1 1   22    4   13 o   81.276   38.252 -30.7237   31.214   0.0000   0.0000 -30.7237   31.214  ?   ?    81.276   38.252      ?      ? 
1 1 1   22    4   14 o  330.415   47.441  328.313   35.282  345.739   36.912  143.959  120.061  417.344   22.664  243.487   92.136 173.8576 94.88244 
1 1 1   22    4   15 o  171.790   34.679   65.213   15.150   66.892   15.562   34.742   66.297  183.584   21.721  159.997   65.870 23.58734 69.35863 
1 1 1   22    4   16 o  134.256   59.237  -1.0717   60.685   0.0000   0.0000  -1.0717   60.685  ?   ?   134.256   59.237      ?      ? 
1 1 1   22    4   17 o  289.207   49.095  250.721   41.752  265.776   43.660   89.623  142.818  362.128   30.895  216.286   93.203 145.8421 98.19062 
1 1 1   22    4   19 o  179.454   33.517   67.813   22.609   67.813   22.609   0.0000   0.0000  179.454   33.517  ?   ?       ?      ? 
1 1 1   22    4   20 o  235.551   32.168  113.728   29.570  113.728   29.570   0.0000   0.0000  235.551   32.168  ?   ?       ?      ? 
1 1 1   22    4   21 o  258.909   32.587  138.421   32.925  138.421   32.925   0.0000   0.0000  258.909   32.587  ?   ?       ?      ? 
1 1 1   22    4   22 o  105.901   31.752   23.646   14.161   23.646   14.161   0.0000   0.0000  105.901   31.752  ?   ?       ?      ? 
1 1 1   22    4   23 o   79.067   28.005   11.499   10.812   11.499   10.812   0.0000   0.0000   79.067   28.005  ?   ?       ?      ? 
1 1 1   22    4   24 o  140.070   33.255   42.675   17.906   42.675   17.906   0.0000   0.0000  140.070   33.255  ?   ?       ?      ? 
1 1 1   22    4   25 o  181.201   30.177   68.192   21.338   68.192   21.338   0.0000   0.0000  181.201   30.177  ?   ?       ?      ? 
1 1 1   22    4   26 o   88.216   30.491   15.187   12.769   15.187   12.769   0.0000   0.0000   88.216   30.491  ?   ?       ?      ? 
1 1 1   22    4   27 o  181.180   27.066   67.796   19.136   67.796   19.136   0.0000   0.0000  181.180   27.066  ?   ?       ?      ? 
1 1 1   22    5    0 o  152.925   33.938   42.029   20.769   34.226   24.396   62.576   39.587  131.613   42.058  174.236   53.277 -42.62331 67.87685 
1 1 1   22    5    1 o  324.366   22.700  186.242   25.100  165.551   28.516  257.409   52.886  289.753   25.219  358.979   37.752 -69.22623 45.40047 
1 1 1   22    5    2 o  701.700   25.393  941.860   64.217  882.696   76.231  1086.45  119.174  667.801   29.252  735.598   41.515 -67.79639 50.78576 
1 1 1   22    5    3 o  434.694   39.147  378.420   66.407   0.0000   0.0000  378.420   66.407  ?   ?   434.694   39.147      ?      ? 
1 1 1   22    5    4 o  607.723   42.372  743.572  100.489   0.0000   0.0000  743.572  100.489  ?   ?   607.723   42.372      ?      ? 
1 1 1   22    5    5 o  529.495   27.284  578.209   48.936  596.528   57.161  527.939   94.691  549.342   26.664  509.647   47.611 39.69489 54.56882 
1 1 1   22    5    6 o  820.573   28.014  1259.80   80.019  1156.71   92.436  1568.06  159.843  762.897   31.049  878.249   46.639 -115.3522 56.02833 
1 1 1   22    5    7 o  216.987   32.140   96.442   19.024   96.182   20.461   98.106   51.684  220.757   23.751  213.217   59.731 7.539200 64.27940 
1 1 1   22    5    8 o  203.656   32.538   64.312   16.318   58.955   17.085  119.991   55.080  172.629   25.361  234.682   59.931 -62.05345 65.07611 
1 1 1   22    5    9 o  275.162   43.316  132.563   23.241  128.459   23.894  204.540  100.068  254.884   24.022  295.440   83.236 -40.55586 86.63293 
1 1 1   22    5   10 o  436.532   49.237  341.418   38.837  330.861   39.934  525.656  166.823  408.593   25.045  464.470   95.235 -55.87619 98.47314 
1 1 1   22    5   11 o  226.280   35.572  139.443   23.019  151.733   24.625   54.326   64.804  276.914   22.788  175.647   67.395 101.2673 71.14366 
1 1 1   22    5   12 o  512.574   26.847  440.072   40.980  395.568   44.377  697.839  106.801  445.978   25.499  579.170   47.254 -133.1925 53.69456 
1 1 1   22    5   13 o  175.992   33.244   84.405   17.766   91.079   18.288 -27.4863   74.884  214.401   21.858  137.584   62.793 76.81677 66.48813 
1 1 1   22    5   14 o  223.517   77.819  117.730   83.242   0.0000   0.0000  117.730   83.242  ?   ?   223.517   77.819      ?      ? 
1 1 1   22    5   15 o  233.986   80.963  134.865   90.037   0.0000   0.0000  134.865   90.037  ?   ?   233.986   80.963      ?      ? 
1 1 1   22    5   16 o  213.293   39.518  127.463   21.840  133.224   22.316  -3.3851  106.352  258.805   22.096  167.780   75.885 91.02495 79.03664 
1 1 1   22    5   17 o  376.154   57.950  419.646   43.343  427.868   44.577  277.308  185.467  462.518   24.697  289.791  113.238 172.7267 115.8998 
1 1 1   22    5   18 o  121.441   32.231   31.121   15.528   31.121   15.528   0.0000   0.0000  121.441   32.231  ?   ?       ?      ? 
1 1 1   22    5   19 o   91.010   29.108   16.557   11.684   16.557   11.684   0.0000   0.0000   91.010   29.108  ?   ?       ?      ? 
1 1 1   22    5   20 o  180.172   33.319   68.677   22.564   68.677   22.564   0.0000   0.0000  180.172   33.319  ?   ?       ?      ? 
1 1 1   22    5   21 o  202.510   31.885   84.681   25.198   84.681   25.198   0.0000   0.0000  202.510   31.885  ?   ?       ?      ? 
1 1 1   22    5   24 o  159.821   68.740   45.770   77.387   45.770   77.387   0.0000   0.0000  159.821   68.740  ?   ?       ?      ? 
1 1 1   22    5   25 o  177.752   74.743   77.177   88.012   77.177   88.012   0.0000   0.0000  177.752   74.743  ?   ?       ?      ? 
1 1 1   22    5   26 o  270.960  103.917  324.164  154.023  324.164  154.023   0.0000   0.0000  270.960  103.917  ?   ?       ?      ? 
1 1 1   22    6    0 o  137.919   55.454   21.172   45.696   0.0000   0.0000   21.172   45.696  ?   ?   137.919   55.454      ?      ? 
1 1 1   22    6    1 o  337.016   24.435  176.549   24.793  153.099   26.814  314.803   65.106  278.604   24.663  395.428   42.191 -116.8242 48.87079 
1 1 1   22    6    2 o  563.683   26.493  663.812   53.258  714.702   65.060  560.437   92.727  601.048   27.738  526.318   45.147 74.73035 52.98681 
1 1 1   22    6    3 o  595.934   29.513  717.300   68.418  757.254   95.043  674.326   98.569  614.112   39.659  577.757   43.719 36.35455 59.02655 
1 1 1   22    6    4 o  179.740   31.630   83.413   19.365   94.050   20.850   16.633   52.243  218.306   24.475  141.174   58.333 77.13248 63.25906 
1 1 1   22    6    5 o  328.539   38.185  292.614   35.145  341.565   40.034  128.104   73.391  415.900   24.666  241.177   72.277 174.7224 76.37019 
1 1 1   22    6    6 o  668.843   29.042  888.136   75.802  888.136   75.802   0.0000   0.0000  668.843   29.042  ?   ?       ?      ? 
1 1 1   22    6    7 o  502.088   30.388  527.792   47.578  539.875   53.635  483.182  103.058  522.080   26.326  482.096   54.779 39.98407 60.77697 
1 1 1   22    6    8 o  385.274   26.163  247.086   30.056  222.711   32.559  387.576   78.167  335.445   24.873  435.103   46.036 -99.65799 52.32545 
1 1 1   22    6    9 o  117.177   32.012   17.939   10.857   17.835   11.119   20.067   50.311   94.095   28.118  140.258   57.520 -46.16328 64.02476 
1 1 1   22    6   10 o  384.031   47.831  277.027   34.185  269.885   35.233  391.746  141.210  368.965   24.470  399.097   92.478 -30.13205 95.66100 
1 1 1   22    6   11 o  230.074   42.611  116.834   21.896  117.905   22.504   97.816   94.831  243.847   23.649  216.300   81.876 27.54741 85.22281 
1 1 1   22    6   12 o  177.369   34.278   81.156   17.507   86.343   18.016  -6.7083   74.151  208.755   22.116  145.983   64.891 62.77151 68.55656 
1 1 1   22    6   13 o  225.016   37.269  152.580   23.646  164.074   24.578   9.6899   86.657  287.633   21.897  162.399   71.249 125.2335 74.53801 
1 1 1   22    6   14 o  177.514   37.381   71.381   22.270   75.687   23.376   29.082   73.266  193.582   30.944  161.446   68.057 32.13606 74.76198 
1 1 1   22    6   15 o  237.827   40.333  164.707   24.817  173.256   25.649   39.362   98.216  295.153   22.269  180.501   77.531 114.6522 80.66618 
1 1 1   22    6   16 f  145.147   38.431   38.280   17.893   40.403   18.278 -10.5434   87.659  138.056   34.122  152.239   68.872 -14.18338 76.86099 
1 1 1   22    6   17 o  253.345   99.390  181.729  143.321   0.0000   0.0000  181.729  143.321  ?   ?   253.345   99.390      ?      ? 
1 1 1   22    6   18 o  149.072   46.145   24.877   13.665   25.035   13.724   6.3194  148.546  109.405   30.825  188.740   86.990 -79.33559 92.28957 
1 1 1   22    6   19 f  239.973   98.642  168.561  148.392  168.561  148.392   0.0000   0.0000  239.973   98.642  ?   ?       ?      ? 
1 1 1   22    6   20 o  163.414   75.044  -1.0115  109.193  -1.0115  109.193   0.0000   0.0000  163.414   75.044  ?   ?       ?      ? 
1 1 1   22    6   21 o  236.532   95.817  188.753  137.536  188.753  137.536   0.0000   0.0000  236.532   95.817  ?   ?       ?      ? 
1 1 1   22    6   22 o  119.002   56.281 -42.2006   69.087 -42.2006   69.087   0.0000   0.0000  119.002   56.281  ?   ?       ?      ? 
1 1 1   22    6   23 o  224.651   88.603  168.953  114.468  168.953  114.468   0.0000   0.0000  224.651   88.603  ?   ?       ?      ? 
1 1 1   22    6   24 o  182.478   78.121   81.929   99.125   81.929   99.125   0.0000   0.0000  182.478   78.121  ?   ?       ?      ? 
1 1 1   22    6   25 o  211.257   89.245  153.492  126.417  153.492  126.417   0.0000   0.0000  211.257   89.245  ?   ?       ?      ? 
1 1 1   22    6   26 o  144.693   66.251   9.8985   84.244   9.8985   84.244   0.0000   0.0000  144.693   66.251  ?   ?       ?      ? 
1 1 1   22    7    0 o  467.043   26.233  421.855   40.895  408.290   46.654  466.849   84.968  454.408   26.310  479.680   45.391 -25.27206 52.46509 
1 1 1   22    7    1 o  304.569   32.434  175.695   36.592  150.790   44.130  230.505   65.466  273.485   41.349  335.653   49.980 -62.16809 64.86729 
1 1 1   22    7    2 o  645.134   46.615  846.841  117.356   0.0000   0.0000  846.841  117.356  ?   ?   645.134   46.615      ?      ? 
1 1 1   22    7    3 o  210.308   36.902   85.471   20.717   83.984   21.860   98.584   64.922  205.936   27.201  214.680   68.610 -8.744019 73.80497 
1 1 1   22    7    4 o  369.165   29.158  236.212   37.152  197.712   42.281  366.655   77.825  314.470   34.453  423.859   47.050 -109.3887 58.31610 
1 1 1   22    7    5 o  359.783   30.160  252.478   31.599  247.532   34.532  277.936   78.347  353.806   25.010  365.761   54.890 -11.95502 60.31960 
1 1 1   22    7    6 o  176.267   34.214   32.384   13.152   27.354   13.510  123.638   57.540  115.122   29.830  237.412   61.583 -122.2904 68.42722 
1 1 1   22    7    7 o  173.416   34.443   69.834   18.907   74.726   19.813   19.979   63.246  194.130   26.154  152.702   63.727 41.42738 68.88516 
1 1 1   22    7    8 o  175.489   42.216   53.234   16.752   53.991   16.966   23.752  105.850  164.908   26.364  186.070   80.211 -21.16193 84.43243 
1 1 1   22    7    9 o  242.148   42.462  101.974   21.379   98.533   21.991  161.300   91.303  222.807   25.292  261.489   81.070 -38.68190 84.92319 
1 1 1   22    7   10 o  334.645   50.576  314.310   37.071  326.015   38.551  170.638  135.065  405.285   24.375  264.006   98.170 141.2790 101.1511 
1 1 1   22    7   11 o  203.873   36.627  116.417   21.459  124.508   22.181  -1.9862   84.850  250.601   22.681  157.146   69.655 93.45459 73.25447 
1 1 1   22    7   12 o  260.071   43.402  188.411   27.768  196.659   28.791   78.591  105.060  314.566   23.454  205.575   83.575 108.9911 86.80388 
1 1 1   22    7   13 o  190.177   36.616   88.194   18.940   91.882   19.564   33.058   75.640  214.902   23.328  165.452   69.417 49.44972 73.23161 
1 1 1   22    7   14 o  205.035   36.730  118.336   21.502  125.979   22.236   8.2274   84.396  251.638   22.643  158.432   69.883 93.20520 73.46025 
1 1 1   22    7   15 o  136.766   61.505 -10.7840   68.712   0.0000   0.0000 -10.7840   68.712  ?   ?   136.766   61.505      ?      ? 
1 1 1   22    7   16 o  172.245   51.666   31.002   63.160   76.918   85.517 -24.1036   93.685  193.075   76.445  151.415   69.525 41.65950 103.3329 
1 1 1   22    7   17 o  207.549   57.193   96.703   72.489  144.979   89.467   4.4461  123.679  237.162   80.754  177.936   81.011 59.22598 114.3850 
1 1 1   22    7   18 o  155.507   48.087   17.340   14.221   16.087   14.312  115.640  126.789   92.671   32.267  218.342   90.599 -125.6705 96.17329 
1 1 1   22    7   19 o  135.921   59.874   5.9410   61.749   5.9410   61.749   0.0000   0.0000  135.921   59.874  ?   ?       ?      ? 
1 1 1   22    7   23 o  235.792  104.891  257.914  194.087  257.914  194.087   0.0000   0.0000  235.792  104.891  ?   ?       ?      ? 
1 1 1   22    7   24 o  267.748  113.330  384.713  204.499  384.713  204.499   0.0000   0.0000  267.748  113.330  ?   ?       ?      ? 
1 1 1   22    7   25 o  267.588  106.077  331.216  164.846  331.216  164.846   0.0000   0.0000  267.588  106.077  ?   ?       ?      ? 
1 1 1   22    7   26 o  321.378  137.768  953.314  309.008  953.314  309.008   0.0000   0.0000  321.378  137.768  ?   ?       ?      ? 
1 1 1   22    8    0 o   97.118   30.107   18.714   12.593   18.714   12.593   0.0000   0.0000   97.118   30.107  ?   ?       ?      ? 
1 1 1   22    8    1 o  405.256   30.455  341.757   37.348  347.368   41.632  318.622   84.534  419.037   25.459  391.475   55.334 27.56213 60.91016 
1 1 1   22    8    2 f  632.742   27.857  760.893   58.850  720.148   66.863  900.982  123.980  602.257   28.450  663.227   47.902 -60.96991 55.71372 
1 1 1   22    8    3 o  579.827   51.216  694.167  115.887   0.0000   0.0000  694.167  115.887  ?   ?   579.827   51.216      ?      ? 
1 1 1   22    8    4 f  205.080   35.340   49.406   17.267   40.826   17.924  160.099   64.380  140.167   33.268  269.994   62.361 -129.8268 70.67983 
1 1 1   22    8    5 o  308.900   36.874  183.209   34.753  171.684   38.548  233.245   80.320  292.710   33.747  325.090   65.574 -32.37994 73.74863 
1 1 1   22    8    6 o  202.993   36.348  102.686   21.062  108.772   22.105   42.720   69.386  234.419   24.164  171.568   68.562 62.85095 72.69513 
1 1 1   22    8    7 o  373.093   37.276  280.450   35.348  275.518   37.892  313.517   98.112  372.488   26.068  373.697   69.846 -1.209137 74.55198 
1 1 1   22    8    8 o  409.391   46.180  272.657   35.423  259.431   36.418  504.851  152.587  361.319   25.828  457.462   88.675 -96.14325 92.35979 
1 1 1   22    8    9 o  336.411   25.547  225.071   33.538  225.071   33.538   0.0000   0.0000  336.411   25.547  ?   ?       ?      ? 
1 1 1   22    8   10 o  419.344   25.817  350.341   42.248  350.341   42.248   0.0000   0.0000  419.344   25.817  ?   ?       ?      ? 
1 1 1   22    8   11 o  214.831   42.061   79.395   19.267   76.840   19.746  130.099   87.978  196.253   25.783  233.408   80.074 -37.15540 84.12225 
1 1 1   22    8   12 o  279.431   47.789  187.273   42.188  191.826   46.078  163.671  104.910  305.440   38.657  253.423   87.411 52.01688 95.57796 
1 1 1   22    8   13 o  272.489   47.416  177.183   39.582  180.132   42.739  159.409  104.936  296.232   36.971  248.746   87.329 47.48631 94.83285 
1 1 1   22    8   14 o  252.158   43.464  176.988   37.668  195.498   40.808   70.412   97.920  309.587   33.778  194.728   80.096 114.8587 86.92747 
1 1 1   22    8   15 o  330.470   54.573  291.223   47.507  297.374   50.044  235.133  151.127  381.659   33.601  279.282  103.845 102.3769 109.1456 
1 1 1   22    8   16 o  276.240   51.503  198.678   40.881  203.176   42.690  148.942  141.952  314.694   34.762  237.787   96.963 76.90660 103.0056 
1 1 1   22    8   17 o  172.221   78.352   3.0962  115.430   0.0000   0.0000   3.0962  115.430  ?   ?   172.221   78.352      ?      ? 
1 1 1   22    8   18 o  107.797   40.909 -21.0877   13.530 -20.9455   13.604 -34.0275  129.760   48.763   23.565  166.831   78.350 -118.0686 81.81701 
1 1 1   22    8   19 o  219.808   40.141  143.857   30.796  156.701   32.162   2.2872  106.782  276.820   29.773  162.797   74.558 114.0232 80.28231 
1 1 1   22    8   20 o  158.202   36.966   54.702   22.411   54.702   22.411   0.0000   0.0000  158.202   36.966  ?   ?       ?      ? 
1 1 1   22    8   21 o  149.984   33.975   48.821   19.424   48.821   19.424   0.0000   0.0000  149.984   33.975  ?   ?       ?      ? 
1 1 1   22    8   22 o  198.745   91.685  106.583  165.579  106.583  165.579   0.0000   0.0000  198.745   91.685  ?   ?       ?      ? 
1 1 1   22    8   23 o  316.512  132.587  706.041  275.240  706.041  275.240   0.0000   0.0000  316.512  132.587  ?   ?       ?      ? 
1 1 1   22    8   24 o  173.954   78.660   55.795  114.194   55.795  114.194   0.0000   0.0000  173.954   78.660  ?   ?       ?      ? 
1 1 1   22    8   25 o  164.028   73.864   44.967   99.491   44.967   99.491   0.0000   0.0000  164.028   73.864  ?   ?       ?      ? 
1 1 1   22    9    0 o  261.685   46.464  145.100   26.037  145.138   26.796  144.469  110.141  270.672   25.369  252.698   89.397 17.97328 92.92699 
1 1 1   22    9    1 o  383.906   46.276  223.821   33.328  211.037   34.215  460.911  147.348  326.068   26.889  441.743   88.559 -115.6745 92.55141 
1 1 1   22    9    2 o  181.701   35.255   33.825   13.844   28.435   14.210  134.358   61.370  117.256   30.695  246.145   63.478 -128.8897 70.51004 
1 1 1   22    9    3 o  398.156   34.110  338.155   38.072  343.842   41.665  309.380   93.721  416.421   25.639  379.892   63.219 36.52869 68.22016 
1 1 1   22    9    4 o  658.584   56.443  914.859  145.061   0.0000   0.0000  914.859  145.061  ?   ?   658.584   56.443      ?      ? 
1 1 1   22    9    5 o  251.695   37.669  173.115   40.202  245.546   48.309   9.9837   72.499  349.011   35.470  154.379   66.467 194.6324 75.33862 
1 1 1   22    9    6 o  223.469   43.703   88.735   25.156   84.854   26.197  134.709   90.169  205.544   32.659  241.394   81.076 -35.84982 87.40637 
1 1 1   22    9    7 o  282.569   45.405  201.524   29.472  207.008   30.681  136.012  106.040  322.963   24.344  242.176   87.486 80.78665 90.81013 
1 1 1   22    9    8 o  198.824   41.469   60.592   17.460   58.019   17.844  118.418   84.601  170.574   26.807  227.075   78.486 -56.50035 82.93770 
1 1 1   22    9    9 o  144.287   39.826   33.265   32.761   50.872   37.199 -27.6033   69.166  156.601   52.067  131.973   60.277 24.62767 79.65114 
1 1 1   22    9   10 o  180.172   36.969   80.631   34.709  117.759   38.816 -67.5083   77.534  234.825   43.974  125.518   59.440 109.3067 73.93755 
1 1 1   22    9   11 o  410.600   55.405  518.361   67.887  588.351   75.755  232.969  152.974  536.506   36.183  284.695  104.735 251.8108 110.8094 
1 1 1   22    9   12 o  284.355   42.970  168.897   47.683  168.897   47.683   0.0000   0.0000  284.355   42.970  ?   ?       ?      ? 
1 1 1   22    9   13 o  261.925   43.374  143.877   44.334  143.877   44.334   0.0000   0.0000  261.925   43.374  ?   ?       ?      ? 
1 1 1   22    9   14 o  241.947   44.435  159.426   40.844  179.082   44.702   60.057  100.510  293.957   38.968  189.937   79.871 104.0193 88.87025 
1 1 1   22    9   15 o  156.344   41.682   50.374   33.527   66.901   35.275 -104.1085  107.849  173.582   49.600  139.105   67.004 34.47630 83.36485 
1 1 1   22    9   16 o  185.425   48.380   74.388   35.252   79.335   36.590   10.415  131.569  188.261   49.242  182.588   83.293 5.672928 96.76033 
1 1 1   22    9   17 o  144.531   48.094 -12.6889   30.136 -18.2556   31.024   80.442  126.895   86.656   39.871  202.405   87.536 -115.7487 96.18881 
1 1 1   22    9   18 o  213.915   62.121  105.384   70.029   90.853   77.762  167.736  161.083  194.090   73.980  233.740   99.814 -39.65021 124.2412 
1 1 1   22    9   19 o  144.324   40.041   40.931   25.289   46.251   26.252 -27.5963   94.221  144.426   43.215  144.222   67.422 0.2041321 80.08289 
1 1 1   22    9   20 o  298.349   33.309  186.017   38.781  186.017   38.781   0.0000   0.0000  298.349   33.309  ?   ?       ?      ? 
1 1 1   22    9   21 o  177.548   44.372   72.097   30.658   72.097   30.658   0.0000   0.0000  177.548   44.372  ?   ?       ?      ? 
1 1 1   22    9   22 o  222.275   34.599  104.426   30.012  104.426   30.012   0.0000   0.0000  222.275   34.599  ?   ?       ?      ? 
1 1 1   22    9   23 o  236.452   98.410  226.979  150.237  226.979  150.237   0.0000   0.0000  236.452   98.410  ?   ?       ?      ? 
1 1 1   22    9   24 o  151.639   68.977   19.199   89.416   19.199   89.416   0.0000   0.0000  151.639   68.977  ?   ?       ?      ? 
1 1 1   22    9   25 o  263.281  104.621  332.501  160.709  332.501  160.709   0.0000   0.0000  263.281  104.621  ?   ?       ?      ? 
1 1 1   22   10    0 o  407.542   32.449  317.402   36.933  306.964   39.878  380.349   97.925  393.096   25.996  421.987   59.465 -28.89090 64.89882 
1 1 1   22   10    1 o  514.039   57.026  506.527   51.790  493.114   53.263  738.969  221.727  497.707   27.423  530.371  110.705 -32.66455 114.0515 
1 1 1   22   10    2 o  200.758   27.956   80.317   21.902   80.317   21.902   0.0000   0.0000  200.758   27.956  ?   ?       ?      ? 
1 1 1   22   10    3 o  268.807   34.967   93.290   22.096   80.327   22.980  252.095   80.431  200.509   29.369  337.105   63.469 -136.5956 69.93450 
1 1 1   22   10    4 o  288.085   46.621  211.648   32.170  218.234   33.596  138.999  111.575  331.253   25.990  244.917   89.546 86.33604 93.24144 
1 1 1   22   10    5 o  580.949   57.787  607.258   58.643  584.630   60.176  1034.34  261.430  540.926   28.507  620.972  112.003 -80.04614 115.5743 
1 1 1   22   10    6 o  432.152   59.141  400.169   71.136  378.805   77.052  523.473  185.114  426.776   46.265  437.529  108.859 -10.75241 118.2829 
1 1 1   22   10    7 o  172.224   72.379   34.224   82.458   0.0000   0.0000   34.224   82.458  ?   ?   172.224   72.379      ?      ? 
1 1 1   22   10    8 o  318.796   48.425  297.098   57.226  361.733   65.831   97.215  115.767  419.254   40.237  218.338   88.096 200.9156 96.84998 
1 1 1   22   10    9 o  249.503   46.298  162.618   47.182  190.593   53.874   70.523   97.748  301.538   45.783  197.469   80.485 104.0693 92.59528 
1 1 1   22   10   10 o  160.476   37.335   47.584   35.947   97.807   42.532 -77.9822   67.251  209.706   52.182  111.245   53.411 98.46093 74.67094 
1 1 1   22   10   11 o  302.018   50.800  241.947   52.037  259.549   57.813  166.827  119.434  352.887   41.982  251.149   92.521 101.7375 101.6007 
1 1 1   22   10   12 o  139.512   42.321   12.095   36.121   5.8706   41.588   31.210   72.884  117.929   50.547  161.094   67.893 -43.16473 84.64289 
1 1 1   22   10   13 o  205.234   49.483   93.533   41.799   91.207   46.767  102.772   93.193  199.822   57.115  210.645   80.821 -10.82372 98.96558 
1 1 1   22   10   14 o  264.357   48.361  202.103   47.735  223.403   51.249   62.555  131.177  327.386   40.114  201.328   88.011 126.0574 96.72149 
1 1 1   22   10   15 o  373.048   41.814  292.659   60.872  292.659   60.872   0.0000   0.0000  373.048   41.814  ?   ?       ?      ? 
1 1 1   22   10   16 o  363.701   46.607  284.747   66.150  284.747   66.150   0.0000   0.0000  363.701   46.607  ?   ?       ?      ? 
1 1 1   22   10   17 o  192.803   63.202   89.317   54.882   89.317   54.882   0.0000   0.0000  192.803   63.202  ?   ?       ?      ? 
1 1 1   22   10   18 o  172.956   51.514   54.787   40.126   56.176   41.588   36.062  152.663  158.156   55.008  187.756   87.113 -29.60037 103.0271 
1 1 1   22   10   19 o  214.083   47.505  123.437   39.372  128.787   41.909   83.228  114.902  238.244   46.747  189.921   82.715 48.32304 95.01040 
1 1 1   22   10   20 o  129.296   57.741   4.3176   59.430   4.3176   59.430   0.0000   0.0000  129.296   57.741  ?   ?       ?      ? 
1 1 1   22   10   21 o  138.259   63.289  -2.5285   76.813  -2.5285   76.813   0.0000   0.0000  138.259   63.289  ?   ?       ?      ? 
1 1 1   22   10   22 o   92.878   41.666  -6.3103   31.322  -6.3103   31.322   0.0000   0.0000   92.878   41.666  ?   ?       ?      ? 
1 1 1   22   10   23 o  171.431   50.506   70.362   36.075   70.362   36.075   0.0000   0.0000  171.431   50.506  ?   ?       ?      ? 
1 1 1   22   10   24 o  121.660   50.653   21.298   39.825   21.298   39.825   0.0000   0.0000  121.660   50.653  ?   ?       ?      ? 
1 1 1   22   11    0 o  191.739   39.394   82.389   22.387   85.721   23.243   39.597   83.297  207.012   28.771  176.466   73.346 30.54662 78.78710 
1 1 1   22   11    1 o  173.280   40.278   45.291   16.547   43.325   16.943   85.957   77.063  144.304   31.010  202.255   74.348 -57.95114 80.55579 
1 1 1   22   11    2 o  515.836   27.579  531.370   55.517  531.370   55.517   0.0000   0.0000  515.836   27.579  ?   ?       ?      ? 
1 1 1   22   11    3 o  377.069   26.321  283.457   38.731  283.457   38.731   0.0000   0.0000  377.069   26.321  ?   ?       ?      ? 
1 1 1   22   11    4 o  437.962   48.067  324.957   40.625  308.625   41.878  585.815  167.367  393.021   27.304  482.903   92.176 -89.88113 96.13492 
1 1 1   22   11    5 o  362.290   55.056  342.228   63.366  364.176   70.987  256.162  140.569  419.138   43.400  305.442  101.199 113.6954 110.1126 
1 1 1   22   11    6 o  192.582   44.807   83.699   45.294  125.317   54.275 -11.7884   82.211  235.408   59.153  149.755   67.318 85.65259 89.61461 
1 1 1   22   11    7 o  195.727   48.105   86.991   47.918  114.692   57.385   23.183   87.094  223.204   63.083  168.249   72.643 54.95534 96.21062 
1 1 1   22   11    8 o  244.387   87.727  151.029  106.433   0.0000   0.0000  151.029  106.433  ?   ?   244.387   87.727      ?      ? 
1 1 1   22   11    9 o  201.577   49.548   94.793   49.675  118.229   60.820   47.827   86.096  224.522   65.417  178.633   74.434 45.88942 99.09512 
1 1 1   22   11   10 o  265.896   48.357  185.308   52.384  216.779   61.711  104.159   99.094  318.172   49.701  213.620   82.966 104.5527 96.71339 
1 1 1   22   11   11 o  230.227   48.961  138.044   50.435  166.055   59.169   63.610   96.452  270.160   57.866  190.295   78.996 79.86571 97.92233 
1 1 1   22   11   12 o  245.762   50.073  161.587   53.724  192.937   63.207   79.987  101.976  291.591   57.590  199.933   81.929 91.65738 100.1453 
1 1 1   22   11   13 o  266.914   50.369  198.349   56.947  231.507   64.859   86.784  118.971  326.844   50.851  206.985   86.961 119.8586 100.7377 
1 1 1   22   11   14 o  230.109   57.181  128.429   52.621  129.209   56.042  122.616  152.958  234.346   60.770  225.872   96.880 8.473938 114.3620 
1 1 1   22   11   15 o  206.428   56.149  101.419   55.746  108.007   59.935   59.169  151.781  210.941   65.730  201.914   91.050 9.027039 112.2971 
1 1 1   22   11   16 o  171.581   55.684  -2.3939   88.131   55.886  109.717 -108.3836  147.961  184.838   80.655  158.324   76.797 26.51366 111.3687 
1 1 1   22   11   17 o  263.610   59.364  205.935   64.107  209.171   69.461  187.340  166.518  292.791   62.684  234.429  100.831 58.36136 118.7277 
1 1 1   22   11   18 o  149.959   43.650   28.779   48.910   76.960   53.719 -204.7355  118.263  177.743   62.479  122.175   60.972 55.56793 87.29958 
1 1 1   22   11   19 o  148.213   45.859   30.075   46.080   44.218   50.673 -37.5157  110.774  148.384   58.815  148.042   70.378 0.3415375 91.71857 
1 1 1   22   11   20 o  203.005   58.039  102.845   48.286  102.845   48.286   0.0000   0.0000  203.005   58.039  ?   ?       ?      ? 
1 1 1   22   11   21 o  126.279   52.409   22.993   42.439   22.993   42.439   0.0000   0.0000  126.279   52.409  ?   ?       ?      ? 
1 1 1   22   11   22 o  248.893   85.890  203.817  101.297  203.817  101.297   0.0000   0.0000  248.893   85.890  ?   ?       ?      ? 
1 1 1   22   11   23 o  239.110   81.281  182.583   90.638  182.583   90.638   0.0000   0.0000  239.110   81.281  ?   ?       ?      ? 
1 1 1   22   12    0 o  153.386   32.897   49.279   19.101   49.279   19.101   0.0000   0.0000  153.386   32.897  ?   ?       ?      ? 
1 1 1   22   12    1 o  177.062   41.550   60.518   19.522   61.398   19.945   40.447   95.226  172.239   30.805  181.885   77.180 -9.645660 83.10079 
1 1 1   22   12    2 o  241.217   46.087  118.913   25.816  117.541   26.600  141.177  107.155  242.136   28.151  240.298   87.770 1.838394 92.17419 
1 1 1   22   12    3 o  258.432   52.382  171.157   54.855  189.491   63.319  115.998  109.829  291.299   57.741  225.565   87.416 65.73346 104.7647 
1 1 1   22   12    4 o  412.594   60.058  434.208   75.538  442.854   84.169  398.421  171.240  458.586   47.033  366.602  110.525 91.98471 120.1163 
1 1 1   22   12    5 o  505.331   68.849  595.478   90.394  566.893   96.882  787.728  251.249  517.657   47.959  493.004  129.076 24.65317 137.6975 
1 1 1   22   12    6 o  334.611   59.828  268.124   68.653  252.248   77.775  324.139  146.094  332.798   62.173  336.424  102.237 -3.626038 119.6569 
1 1 1   22   12    7 o  546.341   48.550  635.276  103.511  635.276  103.511   0.0000   0.0000  546.341   48.550  ?   ?       ?      ? 
1 1 1   22   12    8 o  120.887   39.788 -40.1259   45.306 -49.9774   60.997 -28.0030   67.665  113.174   53.327  128.601   59.063 -15.42709 79.57546 
1 1 1   22   12    9 o  173.611   55.334   20.814   58.086   19.547  159.316   21.008   62.380  199.674   91.308  147.547   62.530 52.12686 110.6672 
1 1 1   22   12   10 o  217.489   63.629   58.346   68.224  240.055  167.350   22.127   74.715  277.883  107.846  157.095   67.554 120.7883 127.2573 
1 1 1   22   12   11 o  207.478   53.536  101.631   55.693  106.015   70.052   94.099   91.814  210.451   71.457  204.505   79.739 5.945755 107.0723 
1 1 1   22   12   12 o  435.049   55.008  418.009   93.388  418.009   93.388   0.0000   0.0000  435.049   55.008  ?   ?       ?      ? 
1 1 1   22   12   13 f  213.240   55.297  110.357   54.953  114.330   61.143   93.663  125.342  217.401   66.156  209.079   88.624 8.322205 110.5931 
1 1 1   22   12   14 o  433.994   71.240  532.758   84.366  520.990   89.611  624.536  250.258  491.277   46.742  376.712  134.595 114.5651 142.4805 
1 1 1   22   12   15 o  232.986   60.556  153.215   67.860  160.659   73.758  112.177  173.180  249.416   71.859  216.555   97.491 32.86162 121.1129 
1 1 1   22   12   16 o  221.556   69.394  146.106  119.182  195.981  173.244  101.293  164.216  235.964  102.165  207.149   93.938 28.81499 138.7880 
1 1 1   22   12   17 o  157.298   50.260   21.215   59.829   23.468   69.306   14.625  118.532  146.965   64.116  167.632   77.416 -20.66693 100.5197 
1 1 1   22   12   18 o  152.743   48.551   23.967   52.045   25.629   58.292   17.438  115.555  140.147   59.951  165.339   76.386 -25.19180 97.10237 
1 1 1   22   12   19 o  251.715   47.572  213.148   64.171  270.574   71.210 -34.9936  148.025  340.218   53.636  163.211   78.586 177.0068 95.14450 
1 1 1   22   12   20 o  163.230   54.373   15.107   61.602   5.9416   65.823   79.766  174.828  134.167   60.280  192.293   90.509 -58.12613 108.7452 
1 1 1   22   12   21 o  122.091   56.042 -11.5266   60.803 -11.5266   60.803   0.0000   0.0000  122.091   56.042  ?   ?       ?      ? 
1 1 1   22   12   22 o  192.684   66.801  100.973   61.308  100.973   61.308   0.0000   0.0000  192.684   66.801  ?   ?       ?      ? 
1 1 1   22   12   23 o  179.850   61.856   85.481   52.516   85.481   52.516   0.0000   0.0000  179.850   61.856  ?   ?       ?      ? 
1 1 1   22   13    0 o  191.125   46.706   52.469   19.004   50.227   19.300  123.960  108.993  154.596   32.996  227.654   87.390 -73.05844 93.41198 
1 1 1   22   13    1 o  316.285   60.162  226.532   71.542  226.532   71.542   0.0000   0.0000  316.285   60.162  ?   ?       ?      ? 
1 1 1   22   13    2 o  440.111   49.512  413.214   85.037  413.214   85.037   0.0000   0.0000  440.111   49.512  ?   ?       ?      ? 
1 1 1   22   13    3 o  316.742   59.327  241.571   64.540  229.475   72.272  289.198  143.407  317.866   60.473  315.618  102.087 2.247833 118.6536 
1 1 1   22   13    4 o  345.028   62.964  245.861   68.230  204.940   74.575  456.121  169.042  295.525   66.296  394.531  107.063 -99.00665 125.9273 
1 1 1   22   13    5 f  213.531   55.466  102.708   56.582   95.960   66.785  119.871  106.511  203.438   69.767  223.623   86.247 -20.18526 110.9321 
1 1 1   22   13    6 o  360.712   59.045  289.337   83.114  289.337   83.114   0.0000   0.0000  360.712   59.045  ?   ?       ?      ? 
1 1 1   22   13    7 o  155.526   46.574  -7.6437   53.698 -82.0293   72.263   84.082   80.245  114.656   55.131  196.395   75.081 -81.73933 93.14856 
1 1 1   22   13    8 o  235.926   48.652  130.195   56.335  223.531   77.948   28.133   81.510  307.288   66.900  164.565   70.657 142.7231 97.30331 
1 1 1   22   13    9 o  197.113   50.803   84.609   54.100  128.377   73.885   34.018   79.435  228.326   73.216  165.901   70.450 62.42563 101.6058 
1 1 1   22   13   10 o  145.162   45.326   3.1743   50.651   20.292   71.714 -13.8641   71.548  153.257   66.044  137.067   62.096 16.18990 90.65149 
1 1 1   22   13   11 o  246.587   66.879   72.369   78.950  396.733  179.986  -4.9099   87.852  340.309  114.545  152.864   69.070 187.4450 133.7581 
1 1 1   22   13   12 f  227.331   68.276  114.663   95.767  220.849  181.685   73.809  112.694  258.349  107.930  196.312   83.650 62.03722 136.5513 
1 1 1   22   13   13 o  268.383   57.895  219.186   68.456  240.462   75.037  113.620  167.147  317.943   62.706  218.822   97.340 99.12096 115.7894 
1 1 1   22   13   14 o  166.452   54.076   12.052   69.738   11.831   79.230   12.810  146.942  150.444   66.965  182.459   84.928 -32.01524 108.1524 
1 1 1   22   13   15 o  272.481   61.483  249.781   81.032  278.730   91.895  148.587  171.810  325.201   74.068  219.761   98.156 105.4396 122.9661 
1 1 1   22   13   16 o  190.740   54.861   89.401   71.813  140.686   85.521 -33.2255  132.243  221.059   78.713  160.420   76.441 60.63841 109.7223 
1 1 1   22   13   17 o  128.206   42.935 -39.3293   55.619 -39.1664   70.725 -39.5934   90.044  121.113   57.176  135.300   64.067 -14.18692 85.87004 
1 1 1   22   13   18 o  166.075   52.803  -5.2891   62.599 -60.1032   72.371  157.553  124.740  115.611   55.481  216.539   89.858 -100.9280 105.6060 
1 1 1   22   13   19 o  136.898   47.553 -85.0674   57.562 -116.8089   63.639   57.732  134.981   93.135   46.187  180.660   83.138 -87.52435 95.10606 
1 1 1   22   13   20 f  195.036   61.674  105.751   88.595  109.617   97.995   88.446  207.305  194.711   80.113  195.361   93.791 -0.6500244 123.3481 
1 1 1   22   13   21 o  200.251   80.251  123.372   95.358  123.372   95.358   0.0000   0.0000  200.251   80.251  ?   ?       ?      ? 
1 1 1   22   13   22 o  186.697   75.209  101.646   84.229  101.646   84.229   0.0000   0.0000  186.697   75.209  ?   ?       ?      ? 
1 1 1   22   14    0 o  152.520   48.073 -31.6746   50.533 -67.9375   58.081   81.273  102.505  103.564   49.700  201.475   82.303 -97.91124 96.14523 
1 1 1   22   14    1 o  186.907   53.243   62.601   53.126   56.659   60.917   81.472  108.568  170.411   65.353  203.403   84.072 -32.99156 106.4851 
1 1 1   22   14    2 o  273.130   62.165  159.357   62.767  126.643   69.768  298.259  143.761  228.682   70.862  317.578  102.160 -88.89517 124.3300 
1 1 1   22   14    3 o  232.440   70.693  131.123   69.831  131.123   69.831   0.0000   0.0000  232.440   70.693  ?   ?       ?      ? 
1 1 1   22   14    4 o  113.206   53.773 -59.8951   64.411 -59.8951   64.411   0.0000   0.0000  113.206   53.773  ?   ?       ?      ? 
1 1 1   22   14    5 o  134.739   42.373 -29.7601   48.398 -96.9956   67.657   40.699   69.260  105.681   51.416  163.796   67.367 -58.11547 84.74594 
1 1 1   22   14    6 o  153.794   46.811   17.584   51.640   40.512   71.219  -7.8327   74.986  164.640   68.075  142.947   64.271 21.69313 93.62143 
1 1 1   22   14    7 o  266.677   49.559  182.602   61.800  285.085   82.738   53.270   92.947  350.964   62.712  182.389   76.758 168.5750 99.11871 
1 1 1   22   14    8 o  232.566   56.909  139.068   63.957  163.533   87.926  111.578   93.203  250.923   79.808  214.208   81.149 36.71513 113.8181 
1 1 1   22   14    9 o  212.149   53.182   98.596   61.050  178.425   87.695   23.527   85.041  261.414   79.158  162.884   71.043 98.53014 106.3632 
1 1 1   22   14   10 o  184.558   54.072   63.763   64.014   48.320   90.882   78.968   90.181  176.741   75.211  192.375   77.707 -15.63373 108.1436 
1 1 1   22   14   11 o  175.805   54.026   39.120   69.718   8.9401   97.620   70.539   99.603  162.316   73.123  189.294   79.550 -26.97780 108.0523 
1 1 1   22   14   12 o  207.833   55.680  113.367   68.428  153.799   80.168   4.8447  131.341  240.120   76.189  175.546   81.219 64.57381 111.3608 
1 1 1   22   14   13 o  163.144   53.946 -17.6554   86.558   26.404  107.463 -99.0437  146.055  169.839   76.597  156.449   75.983 13.38940 107.8913 
1 1 1   22   14   14 o  208.616   62.718  120.021   94.753  176.546  121.456   32.118  151.460  233.409   91.518  183.823   85.783 49.58630 125.4358 
1 1 1   22   14   15 o  191.938   59.383   88.476   86.587  120.335  110.793   38.483  138.786  204.277   84.721  179.598   83.233 24.67825 118.7662 
1 1 1   22   14   16 o  165.879   50.709   51.380   50.983   54.234   55.653   36.485  127.152  157.637   61.905  174.122   80.332 -16.48442 101.4177 
1 1 1   22   14   17 o  175.821   52.196   62.571   49.435   52.874   54.443  108.125  117.998  155.757   61.209  195.886   84.565 -40.12933 104.3922 
1 1 1   22   14   18 o  149.010   50.499 -50.3397   81.911 -94.8111  106.850   13.042  127.560  131.608   64.158  166.413   78.003 -34.80443 100.9987 
1 1 1   22   14   19 o  194.721   60.831  109.375   93.003  138.072  109.615   35.630  175.719  207.583   84.990  181.858   87.054 25.72554 121.6619 
1 1 1   22   14   20 o  182.362   58.590   79.417   87.461  103.525   94.246 -70.1491  234.745  189.666   78.357  175.059   87.127 14.60695 117.1794 
1 1 1   22   14   21 o  231.999   90.267  204.192  117.468  204.192  117.468   0.0000   0.0000  231.999   90.267  ?   ?       ?      ? 
1 1 1   22   15    0 o  242.691   73.387   82.111  107.949  364.020  221.188  -6.0287  123.678  310.222  122.907  175.161   80.227 135.0617 146.7738 
1 1 1   22   15    1 o  279.056   64.564  181.663   68.401  152.169   76.292  302.511  154.431  247.148   73.607  310.963  106.095 -63.81569 129.1285 
1 1 1   22   15    2 o  155.898   49.850  -0.2012   59.040   1.4149   69.281  -4.4877  112.830  142.157   62.979  169.640   77.288 -27.48285 99.69910 
1 1 1   22   15    3 o  194.324   54.939   79.340   61.909   90.844   74.682   54.068  110.690  198.585   73.162  190.063   81.978 8.521912 109.8773 
1 1 1   22   15    4 o  186.254   54.100   51.767   61.737   15.395   77.255  116.041  102.698  154.651   67.575  217.858   84.503 -63.20683 108.1994 
1 1 1   22   15    5 o  286.692   62.783  228.250   75.615  230.980   90.512  221.942  137.574  301.740   76.702  271.645   99.416 30.09534 125.5653 
1 1 1   22   15    6 o  153.516   68.268   6.7156   82.150   6.7156   82.150   0.0000   0.0000  153.516   68.268  ?   ?       ?      ? 
1 1 1   22   15    7 o  367.828   75.400  338.887  104.595  338.887  104.595   0.0000   0.0000  367.828   75.400  ?   ?       ?      ? 
1 1 1   22   15    8 o  295.986   86.829  244.123  106.825  244.123  106.825   0.0000   0.0000  295.986   86.829  ?   ?       ?      ? 
1 1 1   22   15    9 o  187.208   56.095   65.192   71.785   38.422  105.420   88.336   98.022  177.113   78.115  197.302   80.528 -20.18921 112.1902 
1 1 1   22   15   10 o  257.132   64.932  202.486   84.409  240.928  116.119  159.411  122.915  282.005   91.908  232.258   91.747 49.74731 129.8639 
1 1 1   22   15   11 o  287.178   70.427  281.003   96.381  282.600  119.690  278.057  162.552  302.426   92.665  271.931  106.080 30.49545 140.8539 
1 1 1   22   15   12 o  133.029   45.828 -73.5446   60.079 -86.1647   68.370 -30.7745  125.865  106.294   51.707  159.765   75.679 -53.47131 91.65659 
1 1 1   22   15   13 f  160.936   51.080   29.610   57.422   27.836   64.654   36.232  124.940  146.134   62.841  175.739   80.545 -29.60432 102.1591 
1 1 1   22   15   14 o  149.281   49.320   0.0607   49.987  -8.1710   53.971   49.717  132.558  118.501   53.782  180.061   82.687 -61.56041 98.63905 
1 1 1   22   15   15 o  190.596   59.498   92.113   87.072  109.425  110.039   63.121  142.401  196.649   83.179  184.543   85.096 12.10551 118.9957 
1 1 1   22   15   16 o  200.626   58.562   92.951   88.353  221.465  117.171 -76.4327  134.518  251.591   91.798  149.660   72.740 101.9311 117.1235 
1 1 1   22   15   17 o  192.296   63.583   78.000  108.256  154.866  204.165   47.936  127.684  208.764   98.119  175.829   80.895 32.93484 127.1659 
1 1 1   22   15   18 o  174.134   56.959   46.867   86.648   50.466  102.609   37.924  161.769  168.930   75.624  179.339   85.195 -10.40884 113.9180 
1 1 1   22   15   19 o  161.287   54.831  -0.7927   77.452 -13.3756   85.102   59.900  186.904  137.583   64.237  184.992   88.878 -47.40923 109.6613 
1 1 1   22   15   20 o  186.174   61.277   91.030   90.254   88.953   95.771  107.514  269.805  179.697   76.856  192.650   95.459 -12.95259 122.5530 
1 1 1   22   16    0 o  158.245   51.957 -21.9949   70.536 -29.7013   84.337  -4.0569  128.672  140.664   65.081  175.826   81.009 -35.16209 103.9138 
1 1 1   22   16    1 o  219.040   94.716  110.160  148.518   0.0000   0.0000  110.160  148.518  ?   ?   219.040   94.716      ?      ? 
1 1 1   22   16    2 o  191.810   63.161   14.632   98.924   46.128  207.462   5.3635  112.541  213.110   99.759  170.510   77.493 42.59955 126.3213 
1 1 1   22   16    3 o  269.137   60.794  209.936   74.721  235.833   90.847  155.780  131.374  302.685   76.790  235.589   94.272 67.09564 121.5889 
1 1 1   22   16    4 o  166.279   50.961 -24.7563   66.293 -124.8014   86.116  120.773  103.863  115.587   56.615  216.970   84.752 -101.3834 101.9218 
1 1 1   22   16    5 o  208.214   59.175   76.850   75.798   1.1294   96.427  199.294  122.621  158.832   72.010  257.595   93.921 -98.76253 118.3492 
1 1 1   22   16    6 o  138.544   45.310 -41.0022   49.768   45.661   97.206 -71.7893   57.938  176.317   76.434  100.772   48.682 75.54554 90.62048 
1 1 1   22   16    7 o  196.220   57.322   82.020   74.433   24.441  108.396  133.393  102.388  171.825   77.263  220.615   84.698 -48.79042 114.6445 
1 1 1   22   16    8 o  200.842   57.045   83.564   70.782  173.941  109.275   18.233   92.908  240.973   88.540  160.712   71.952 80.26123 114.0898 
1 1 1   22   16    9 o  158.847   49.158 -32.5311   64.065  120.354   98.882 -143.1357   84.105  209.414   82.428  108.280   53.590 101.1334 98.31688 
1 1 1   22   16   10 o  285.709   81.691  234.500   95.656  234.500   95.656   0.0000   0.0000  285.709   81.691  ?   ?       ?      ? 
1 1 1   22   16   11 o  141.847   61.244   23.250   61.906   23.250   61.906   0.0000   0.0000  141.847   61.244  ?   ?       ?      ? 
1 1 1   22   16   12 o   92.752   45.562 -90.5237   57.042 -90.5237   57.042   0.0000   0.0000   92.752   45.562  ?   ?       ?      ? 
1 1 1   22   16   13 o  164.614   55.216 -33.1204   91.340   96.979  148.168 -112.8676  116.004  195.161   88.782  134.067   65.675 61.09409 110.4328 
1 1 1   22   16   14 o  170.252   56.588   3.0688   98.780 -85.0775  143.869   81.680  135.865  152.197   74.251  188.307   85.413 -36.11015 113.1754 
1 1 1   22   16   15 f  207.577   65.245  128.343  109.499  233.140  157.759   30.922  152.105  237.556   99.989  177.598   83.844 59.95827 130.4902 
1 1 1   22   16   16 o  189.850   58.744   95.540   85.083  128.118  109.037   44.824  136.046  203.295   84.159  176.405   81.979 26.89005 117.4872 
1 1 1   22   16   17 o  159.224   54.722 -45.3165  105.305 -107.6239  185.385 -15.6347  127.953  160.735   79.553  157.713   75.161 3.022308 109.4434 
1 1 1   22   16   18 f  143.167   48.269 -17.9265   68.567   16.960   74.288 -218.6085  178.174  142.362   63.994  143.971   72.280 -1.609161 96.53828 
1 1 1   22   17    0 o  214.660   56.893  121.836   76.103  186.677   90.590 -33.6721  140.292  259.931   80.780  169.388   80.138 90.54359 113.7869 
1 1 1   22   17    1 o  259.527   62.227  209.776   80.303  242.223   96.317  135.796  145.436  297.889   80.806  221.165   94.654 76.72359 124.4545 
1 1 1   22   17    2 o  175.381   54.806   39.151   73.627   24.470  100.743   55.982  107.871  167.759   75.029  183.004   79.910 -15.24500 109.6128 
1 1 1   22   17    3 o  267.125  103.782  254.021  155.102   0.0000   0.0000  254.021  155.102  ?   ?   267.125  103.782      ?      ? 
1 1 1   22   17    4 o  208.700   87.623  114.473  120.658   0.0000   0.0000  114.473  120.658  ?   ?   208.700   87.623      ?      ? 
1 1 1   22   17    5 o  281.813   66.454  258.103   86.595  269.035  109.228  239.606  142.077  301.735   87.597  261.890   99.956 39.84543 132.9074 
1 1 1   22   17    6 o  178.325   53.833   62.726   66.238   68.163   93.901   57.341   93.450  180.935   76.702  175.716   75.556 5.219284 107.6651 
1 1 1   22   17    7 o  208.809   55.557  116.814   68.335  180.310   90.706   33.479  103.915  248.779   81.238  168.840   75.807 79.93883 111.1140 
1 1 1   22   17    8 o  223.130   59.289  149.833   69.120  153.136   83.446  142.614  123.373  231.176   77.993  215.084   89.319 16.09131 118.5780 
1 1 1   22   17    9 o  162.701   50.843   32.652   57.963   15.955   68.805   73.468  107.577  142.195   62.891  183.206   79.906 -41.01064 101.6865 
1 1 1   22   17   10 o  160.999   51.040   28.622   55.031   17.457   61.753   71.693  121.289  137.775   60.303  184.222   82.363 -46.44653 102.0793 
1 1 1   22   17   11 o  161.325   53.396  -7.0658   86.666   52.727  115.271 -84.8129  131.443  175.463   79.214  147.186   71.622 28.27693 106.7922 
1 1 1   22   17   12 o  238.597   67.737  217.681  101.239  269.544  134.011  148.733  154.514  267.329   98.077  209.865   93.457 57.46480 135.4745 
1 1 1   22   17   13 o  175.030   54.934   42.859   81.881  125.721  107.082 -73.8005  127.056  203.408   83.724  146.652   71.143 56.75581 109.8681 
1 1 1   22   17   14 o  204.855   61.240  130.307   88.619  183.188  117.370   60.184  135.157  229.011   89.911  180.700   83.170 48.31096 122.4796 
1 1 1   22   17   15 o  160.447   52.710   7.2390   80.987 -50.5891  115.711   62.771  113.391  144.968   69.721  175.925   79.073 -30.95680 105.4206 
1 1 1   22   17   16 o  132.020   63.014 -43.8940   90.668 -43.8940   90.668   0.0000   0.0000  132.020   63.014  ?   ?       ?      ? 
1 1 1   22   18    0 o  312.384   68.900  298.374   83.186  268.014   93.606  412.410  181.417  312.769   77.167  312.000  114.167 0.7693176 137.7999 
1 1 1   22   18    1 o  164.704   51.741   12.583   64.672 -38.3345   80.516  105.161  108.569  130.307   61.360  199.101   83.327 -68.79445 103.4816 
1 1 1   22   18    2 o  273.796   68.616  229.785   81.687  192.992   93.126  352.550  170.111  255.450   82.229  292.141  109.868 -36.69113 137.2318 
1 1 1   22   18    3 o  283.353   82.002  234.135   95.856  234.135   95.856   0.0000   0.0000  283.353   82.002  ?   ?       ?      ? 
1 1 1   22   18    4 o  272.051   62.108  241.286   76.565  252.971   91.224  213.438  140.834  301.924   77.141  242.178   97.359 59.74646 124.2159 
1 1 1   22   18    5 o  196.318   63.606   89.396  101.078   39.794  239.590  100.136  111.485  197.594   96.271  195.042   83.157 2.552200 127.2129 
1 1 1   22   18    6 o  238.936   96.952  211.803  141.065   0.0000   0.0000  211.803  141.065  ?   ?   238.936   96.952      ?      ? 
1 1 1   22   18    7 o  170.425   51.681   57.663   57.558   55.451   67.882   63.321  108.568  162.633   66.768  178.216   78.902 -15.58255 103.3614 
1 1 1   22   18    8 o  205.385   88.239  130.231  127.265   0.0000   0.0000  130.231  127.265  ?   ?   205.385   88.239      ?      ? 
1 1 1   22   18    9 o  193.870   60.826   98.464   92.595  131.454  129.222   63.650  132.747  205.215   88.544  182.526   83.420 22.68829 121.6510 
1 1 1   22   18   10 o  199.959   63.002  116.382   97.897  104.211  125.778  135.086  155.923  194.514   85.576  205.404   92.486 -10.89030 126.0033 
1 1 1   22   18   11 o  170.597   56.166   27.557   90.572   23.230  121.941   32.883  135.270  167.336   77.714  173.857   81.111 -6.521149 112.3319 
1 1 1   22   18   12 o  168.706   54.772   29.514   84.742   79.252  111.791 -37.6735  129.930  182.632   80.500  154.781   74.294 27.85117 109.5439 
1 1 1   22   18   13 o  131.230   44.891 -72.4443   70.398 -54.8015   95.311 -93.6235  104.427  132.832   63.725  129.628   63.244 3.203812 89.78131 
1 1 1   22   18   14 o  149.844   49.097   5.0966   68.280  -0.2608   97.871   10.177   95.304  148.763   69.266  150.925   69.601 -2.161499 98.19431 
1 1 1   22   18   15 o  123.069   42.418 -84.0190   65.674 -92.1344   98.584 -77.5442   88.058  124.921   61.056  121.218   58.901 3.702850 84.83630 
1 1 1   22   19    0 o  163.712   51.425   23.296   61.597 -15.1286   74.720  104.792  108.818  132.432   61.267  194.993   82.610 -62.56158 102.8500 
1 1 1   22   19    1 o  180.695   58.330   45.972   98.229 -99.7681  170.606  118.245  120.142  160.434   78.805  200.957   86.018 -40.52295 116.6592 
1 1 1   22   19    2 o  199.490   56.830  113.583   66.595  118.141   79.469  102.834  122.041  204.198   75.427  194.781   85.027 9.417618 113.6605 
1 1 1   22   19    3 o  185.035   55.473   77.073   64.421   54.873   76.978  128.961  117.685  164.875   69.645  205.194   86.364 -40.31975 110.9467 
1 1 1   22   19    4 o  210.205   59.716  101.490   66.149   54.608   76.039  247.358  134.128  164.288   69.298  256.122   97.271 -91.83408 119.4319 
1 1 1   22   19    5 o  237.817   57.709  183.342   66.538  195.733   75.164  138.466  143.043  268.491   70.746  207.142   91.193 61.34875 115.4176 
1 1 1   22   19    6 o  179.628   54.612   65.896   60.590   48.325   69.521  121.410  123.573  158.201   66.471  201.055   86.668 -42.85449 109.2237 
1 1 1   22   19    7 o  183.197   62.694   11.289  100.674  204.786  242.110 -29.1620  110.698  217.522  103.589  148.872   70.650 68.65045 125.3878 
1 1 1   22   19    8 o  180.740   59.157   55.195   98.648   56.730  142.282   53.775  136.894  181.682   84.226  179.798   83.092 1.883728 118.3141 
1 1 1   22   19    9 o  165.714   55.177   3.7421   91.181 -36.2814  121.965   54.455  137.289  151.841   72.643  179.587   83.071 -27.74620 110.3532 
1 1 1   22   19   10 o  181.458   61.027   40.647  117.598   63.307  173.234   21.280  160.153  186.930   88.616  175.986   83.930 10.94470 122.0534 
1 1 1   22   19   11 o  176.824   59.235   35.717  109.347  -2.9666  174.542   60.707  140.290  173.573   84.006  180.076   83.535 -6.503555 118.4699 
1 1 1   22   19   12 o  170.290   56.949   21.644  101.447 -33.0894  151.583   66.047  136.530  161.052   78.029  179.528   82.972 -18.47589 113.8982 
1 1 1   22   19   13 o  130.709   45.344 -110.3614   80.924 -235.9636  136.857 -42.8376  100.346  124.391   62.572  137.027   65.644 -12.63695 90.68857 
1 1 1   22   20    0 o  164.640   53.609   23.944   68.604   8.8261   78.615   72.219  140.484  143.592   65.067  185.688   85.216 -42.09634 107.2175 
1 1 1   22   20    1 o  215.177   69.044  109.649  108.013  385.939  215.685   17.163  124.789  263.741  114.093  166.614   77.790 97.12657 138.0889 
1 1 1   22   20    2 o  169.838   52.664   54.978   64.544   51.210   79.573   62.225  110.356  163.130   69.920  176.547   78.774 -13.41667 105.3288 
1 1 1   22   20    3 o  188.645   55.375   96.673   67.611  113.991   79.695   52.197  127.715  200.085   75.210  177.205   81.297 22.88028 110.7507 
1 1 1   22   20    4 o  121.167   42.103 -92.0076   60.726 -92.9117   72.031 -89.7863  112.905  106.392   52.040  135.943   66.201 -29.55132 84.20679 
1 1 1   22   20    5 o  164.606   56.953 -38.7171  103.561 -22.8069  220.785 -43.2050  117.261  181.195   89.132  148.016   70.923 33.17921 113.9056 
1 1 1   22   20    6 o  148.799   51.163 -46.5027   83.275 -209.9899  202.045 -13.0472   91.399  155.038   77.716  142.561   66.565 12.47679 102.3258 
1 1 1   22   20    7 o  195.241   61.740  111.578   96.117  108.693  147.888  113.688  126.471  194.824   88.655  195.658   85.952 -0.8345490 123.4805 
1 1 1   22   20    8 o  170.081   55.461   40.904   85.471   36.913  126.007   44.305  116.322  170.263   79.048  169.900   77.813 0.3630066 110.9212 
1 1 1   22   20    9 o  175.473   57.288   51.685   93.892   96.200  123.312  -9.7265  144.838  187.327   83.450  163.619   78.510 23.70828 114.5765 
1 1 1   22   20   10 o  204.635   60.740  119.213   98.544  260.395  128.419 -82.9865  153.684  256.869   95.683  152.400   74.846 104.4691 121.4794 
1 1 1   22   20   11 o  186.005   81.763  101.946  114.606  101.946  114.606   0.0000   0.0000  186.005   81.763  ?   ?       ?      ? 
1 1 1   22   21    0 o  198.045   67.761  -1.8901  141.158  419.295  248.068 -203.5701  171.659  251.517  114.595  144.572   72.347 106.9442 135.5218 
1 1 1   22   21    1 o  105.498   51.361 -79.1383   67.817 -79.1383   67.817   0.0000   0.0000  105.498   51.361  ?   ?       ?      ? 
1 1 1   22   21    2 o  181.922   74.757   88.298   85.198   88.298   85.198   0.0000   0.0000  181.922   74.757  ?   ?       ?      ? 
1 1 1   22   21    3 o  166.404   81.512 -49.0762  178.626 -49.0762  178.626   0.0000   0.0000  166.404   81.512  ?   ?       ?      ? 
1 1 1   22   21    4 o  182.848   61.217   61.984  115.309   71.252  176.656   55.105  152.205  186.236   88.634  179.461   84.463 6.775742 122.4333 
1 1 1   22   21    5 o  150.302   51.941 -86.1062   93.000   44.405  152.898 -162.7446  117.166  176.541   83.563  124.064   61.716 52.47678 103.8828 
1 1 1   22   21    6 o  179.474   59.109   49.817   93.511  164.012  163.250  -5.9478  114.080  205.879   93.477  153.069   72.370 52.80968 118.2177 
1 1 1   22   21    7 o  172.999   57.309   34.804   88.591  140.950  158.637 -13.3018  106.795  198.509   90.899  147.490   69.820 51.01849 114.6188 
1 1 1   23    0    0 o  116.110   25.549   33.160   14.347   33.160   14.347   33.160   14.347  116.110   36.132  116.110   36.132 -0.000000 0.000000 
1 1 1   23    0    1 f  156.602   23.550   54.221   17.891   54.221   17.891   54.221   17.891  156.602   33.304  156.602   33.304 -0.000000 0.000000 
1 1 1   23    0    3 o  318.734   27.193  209.243   45.986  209.243   45.986  209.243   45.986  318.734   38.456  318.734   38.456 0.000000 0.000000 
1 1 1   23    0    4 o  255.243   17.831  131.542   24.554  131.542   24.554  131.542   24.554  255.243   25.216  255.243   25.216 0.000000 0.000000 
1 1 1   23    0    5 o   81.329   25.017   18.641   11.634   18.641   11.634   18.641   11.634   81.329   35.379   81.329   35.379 -0.000000 0.000000 
1 1 1   23    0    6 f  184.861   16.742   70.247   16.313   70.247   16.313   70.247   16.313  184.861   23.676  184.861   23.676 -0.000000 0.000000 
1 1 1   23    0    7 o  352.957   17.456  248.214   33.620  248.214   33.620  248.214   33.620  352.957   24.686  352.957   24.686 0.000000 0.000000 
1 1 1   23    0    8 o  272.587   16.619  149.092   24.574  149.092   24.574  149.092   24.574  272.587   23.503  272.587   23.503 -0.000000 0.000000 
1 1 1   23    0    9 o  604.287   19.657  723.828   65.240  723.828   65.240  723.828   65.240  604.287   27.800  604.287   27.800 0.000000 0.000000 
1 1 1   23    0   10 o  186.025   77.016  108.802  132.436  108.802  132.436  108.802  132.436  186.025  108.917  186.025  108.917 0.000000 0.000000 
1 1 1   23    0   11 o  145.221   35.163   54.607   25.316   54.607   25.316   54.607   25.316  145.221   49.728  145.221   49.728 0.000000 0.000000 
1 1 1   23    0   12 o  288.819   25.695  173.461   39.196  173.461   39.196  173.461   39.196  288.819   36.338  288.819   36.338 -0.000000 0.000000 
1 1 1   23    0   13 o  395.460   25.135  318.852   53.837  318.852   53.837  318.852   53.837  395.460   35.546  395.460   35.546 -0.000000 0.000000 
1 1 1   23    0   14 o  672.670   30.283  922.810  111.377  922.810  111.377  922.810  111.377  672.670   42.827  672.670   42.827 0.000000 0.000000 
1 1 1   23    0   15 o   78.535   32.674   15.094   24.047   15.094   24.047   15.094   24.047   78.535   46.208   78.535   46.208 -0.000000 0.000000 
1 1 1   23    0   16 o   92.469   37.172   23.810   29.515   23.810   29.515   23.810   29.515   92.469   52.569   92.469   52.569 0.000000 0.000000 
1 1 1   23    0   17 o  219.241   44.712  120.304   46.927  120.304   46.927  120.304   46.927  219.241   63.233  219.241   63.233 0.000000 0.000000 
1 1 1   23    1    0 o  260.807   17.733  134.087   18.039  129.654   25.039  138.870   26.011  256.336   25.031  265.279   25.126 -8.942780 35.46600 
1 1 1   23    1    1 o  411.068   17.809  333.350   28.544  352.728   40.801  314.775   39.947  422.848   24.726  399.288   25.637 23.56027 35.61776 
1 1 1   23    1    2 f  287.451   17.487  163.206   19.591  171.646   27.593  154.628   27.819  295.050   23.965  279.853   25.473 15.19775 34.97412 
1 1 1   23    1    3 o  226.508   28.404  104.505   24.469  103.012   33.036  106.320   36.420  226.835   37.320  226.182   42.830 0.6527252 56.80837 
1 1 1   23    1    4 o  264.700   21.631  128.702   20.084  116.753   23.259  163.718   39.816  243.213   24.506  286.186   35.652 -42.97264 43.26196 
1 1 1   23    1    5 o  152.124   18.850   46.726   10.886   52.321   15.362   41.084   15.427  162.803   24.180  141.445   28.924 21.35773 37.70006 
1 1 1   23    1    6 f  403.339   17.405  321.140   27.380  312.306   37.946  330.734   39.545  397.590   24.457  409.087   24.771 -11.49680 34.81001 
1 1 1   23    1    7 o  375.941   17.304  279.443   25.383  281.460   35.677  277.375   36.119  377.364   24.227  374.519   24.714 2.845276 34.60793 
1 1 1   23    1    8 o  229.981   22.584  103.811   18.087  101.583   21.151  109.874   34.887  226.653   23.913  233.309   38.318 -6.656036 45.16758 
1 1 1   23    1    9 o  162.395   24.992   47.514   13.426   40.813   15.197   71.355   28.664  140.751   28.642  184.038   40.965 -43.28755 49.98479 
1 1 1   23    1   10 o  410.680   47.978  242.186   42.705  217.941   44.196  583.263  165.766  328.969   34.427  492.392   89.568 -163.4226 95.95670 
1 1 1   23    1   11 o  396.868   24.776  318.423   38.366  320.695   53.923  316.093   54.599  398.443   34.680  395.293   35.394 3.149445 49.55264 
1 1 1   23    1   12 o  681.128   28.358  949.779   75.254  920.753  102.964  983.065  110.260  670.602   39.345  691.655   40.851 -21.05316 56.71671 
1 1 1   23    1   13 o  277.564   25.895  158.155   27.740  164.429   37.112  150.213   41.759  284.873   33.384  270.254   39.595 14.61884 51.79057 
1 1 1   23    1   14 o  188.003   31.126   72.060   21.965   56.989   27.502   98.609   36.503  162.541   42.776  213.464   45.226 -50.92377 62.25119 
1 1 1   23    1   15 o  131.942   40.734  -0.6499   35.466   29.544   68.023 -11.9219   41.562  157.167   65.879  106.717   47.927 50.45016 81.46780 
1 1 1   23    1   16 o  108.711   31.294   6.5095   17.116   0.0443   19.043   33.703   39.054   79.313   34.105  138.108   52.479 -58.79428 62.58784 
1 1 1   23    1   17 o  322.617   38.679  252.207   43.953  346.908   58.930  133.477   65.984  410.117   36.821  235.117   68.033 175.0000 77.35848 
1 1 1   23    1   18 o  202.402   83.501   86.613  106.815   0.0000   0.0000   86.613  106.815  ?   ?   202.402   83.501      ?      ? 
1 1 1   23    2    0 o  117.418   20.822   27.879   9.9811   41.406   14.458   15.563   13.796  142.455   26.996   92.381   31.707 50.07442 41.64312 
1 1 1   23    2    1 o  669.281   20.672  887.521   53.981  911.860   76.998  863.996   75.700  678.355   29.086  660.207   29.382 18.14722 41.34394 
1 1 1   23    2    2 o  155.648   18.899   48.583   11.254   48.475   15.795   48.694   16.038  156.645   25.839  154.650   27.586 1.995499 37.79758 
1 1 1   23    2    3 o  334.797   21.994  230.947   27.056  195.471   44.626  251.567   34.022  312.550   36.588  357.044   24.418 -44.49402 43.98767 
1 1 1   23    2    4 o  189.450   28.543   79.227   17.482   83.985   19.782   62.259   37.354  206.248   24.578  172.651   51.524 33.59698 57.08620 
1 1 1   23    2    5 o  345.031   17.429  235.223   23.453  236.865   32.657  233.475   33.702  346.358   24.161  343.705   25.127 2.652832 34.85886 
1 1 1   23    2    6 o  148.171   26.936   35.715   12.778   29.416   14.040   66.106   30.839  119.351   30.138  176.991   44.653 -57.63957 53.87177 
1 1 1   23    2    7 o  362.643   21.484  255.977   28.182  246.469   33.728  277.970   51.298  353.036   24.481  372.250   35.313 -19.21396 42.96891 
1 1 1   23    2    8 o  118.631   25.618   14.090   9.4107   8.8566   9.9740   56.533   28.406   73.628   26.795  163.633   43.670 -90.00560 51.23561 
1 1 1   23    2    9 o  153.886   25.164   34.018   11.603   26.274   12.540   80.151   30.606  112.723   28.492  195.049   41.485 -82.32615 50.32713 
1 1 1   23    2   10 o  163.333   40.423   36.537   12.501   35.909   12.635   65.667   86.041  132.370   25.383  194.295   76.758 -61.92502 80.84642 
1 1 1   23    2   11 f  169.341   30.473   61.051   18.679   61.816   21.854   58.976   35.985  172.367   33.697  166.316   50.784 6.051315 60.94651 
1 1 1   23    2   12 o  330.566   22.137  204.423   24.804  189.916   28.291  252.633   51.575  309.245   23.443  351.888   37.558 -42.64243 44.27379 
1 1 1   23    2   13 o  275.566   33.557  176.392   32.309  213.738   41.060  115.677   52.354  325.078   32.367  226.055   58.793 99.02251 67.11382 
1 1 1   23    2   14 o  287.825   58.081  186.468   62.987   0.0000   0.0000  186.468   62.987  ?   ?   287.825   58.081      ?      ? 
1 1 1   23    2   15 o  211.826   53.449   99.600   50.915  120.007  100.941   92.636   58.966  223.237   84.479  200.415   65.503 22.82156 106.8988 
1 1 1   23    2   16 o   88.422   31.479  -1.8937   10.140  -0.2395   10.210 -121.2561   86.725   58.363   25.031  118.482   57.769 -60.11885 62.95841 
1 1 1   23    2   17 o  396.812   54.604  496.111   64.344  555.436   71.093  227.386  151.307  520.197   35.021  273.427  103.440 246.7693 109.2079 
1 1 1   23    2   18 o  339.686   48.275  408.397   59.146  474.103   64.210   40.432  151.949  480.432   34.248  198.940   90.271 281.4922 96.54975 
1 1 1   23    2   19 f  167.423   69.344   47.289   74.083   0.0000   0.0000   47.289   74.083  ?   ?   167.423   69.344      ?      ? 
1 1 1   23    3    0 o  359.566   17.835  254.919   24.995  247.930   34.346  262.787   36.445  354.400   24.834  364.732   25.605 -10.33167 35.67006 
1 1 1   23    3    1 o  379.040   17.516  282.367   25.845  266.207   35.079  301.557   38.226  367.281   24.474  390.799   25.065 -23.51846 35.03220 
1 1 1   23    3    2 o  146.972   20.837   44.429   11.528   47.845   16.149   40.879   16.461  153.129   28.058  140.815   30.812 12.31392 41.67334 
1 1 1   23    3    3 o  131.901   23.206   35.528   11.363   36.736   19.945   34.948   13.826  133.392   37.012  130.409   28.005 2.983505 46.41280 
1 1 1   23    3    4 o  181.504   24.913   33.008   13.076   19.967   13.862  138.380   39.403  100.620   31.653  262.388   38.481 -161.7689 49.82689 
1 1 1   23    3    5 o  366.688   22.654  244.187   28.308  221.907   32.252  318.932   59.073  335.096   24.663  398.280   38.008 -63.18344 45.30855 
1 1 1   23    3    6 o  457.608   22.720  421.520   37.925  428.566   46.336  407.219   66.008  465.333   25.516  449.884   37.598 15.44965 45.43909 
1 1 1   23    3    7 o  223.695   28.062  112.261   19.533  120.318   22.365   86.348   40.108  246.778   23.223  200.612   51.093 46.16641 56.12342 
1 1 1   23    3    8 o  372.172   23.537  287.281   30.444  300.579   36.223  255.288   56.186  389.772   23.814  354.572   40.606 35.20026 47.07409 
1 1 1   23    3    9 o  190.513   28.771   74.016   16.161   73.518   17.662   76.576   40.064  192.711   23.486  188.315   52.531 4.396469 57.54211 
1 1 1   23    3   10 o  212.609   41.341  108.724   20.728  111.825   21.182   38.670  100.678  237.641   22.841  187.577   79.464 50.06335 82.68141 
1 1 1   23    3   11 o  538.875   26.449  630.303   50.901  721.639   63.836  470.865   84.342  601.346   27.203  476.403   45.367 124.9427 52.89730 
1 1 1   23    3   12 o  210.141   35.067  109.166   26.665  125.029   30.531   58.153   54.751  249.091   31.409  171.191   62.707 77.90036 70.13309 
1 1 1   23    3   13 o  180.736   31.573   91.113   18.640  100.933   19.677   5.2845   58.176  225.436   22.367  136.035   59.051 89.40102 63.14531 
1 1 1   23    3   14 o  165.687   39.375   54.875   20.973   56.267   21.784   37.214   77.584  163.159   35.244  168.215   70.424 -5.056717 78.75044 
1 1 1   23    3   15 o  198.516   64.306   90.750   56.888   0.0000   0.0000   90.750   56.888  ?   ?   198.516   64.306      ?      ? 
1 1 1   23    3   16 o  299.414   46.302  260.500   40.731  281.829   43.825  125.248  110.357  373.171   30.094  225.658   87.578 147.5132 92.60406 
1 1 1   23    3   17 o  297.344   33.325  180.723   38.669  180.723   38.669   0.0000   0.0000  297.344   33.325  ?   ?       ?      ? 
1 1 1   23    3   18 o  255.350   33.110  133.593   32.993  133.593   32.993   0.0000   0.0000  255.350   33.110  ?   ?       ?      ? 
1 1 1   23    3   19 o  208.298   39.270  122.424   30.207  135.673   31.879   6.0259   94.494  257.300   31.750  159.295   71.836 98.00563 78.53912 
1 1 1   23    3   20 o  608.138   41.189  790.166   97.750  790.166   97.750   0.0000   0.0000  608.138   41.189  ?   ?       ?      ? 
1 1 1   23    3   21 o   48.298   22.092  -5.8781   9.3355  -5.8781   9.3355   0.0000   0.0000   48.298   22.092  ?   ?       ?      ? 
1 1 1   23    3   22 o  480.343   37.733  493.041   70.729  493.041   70.729   0.0000   0.0000  480.343   37.733  ?   ?       ?      ? 
1 1 1   23    4    0 o  296.979   24.886  174.203   28.841   0.0000   0.0000  174.203   28.841  ?   ?   296.979   24.886      ?      ? 
1 1 1   23    4    1 o  487.383   23.723  431.483   39.422  391.730   44.923  564.645   82.219  445.109   25.862  529.656   39.778 -84.54694 47.44657 
1 1 1   23    4    2 o  606.110   23.922  677.156   51.275  608.905   59.643  870.492  100.384  554.384   27.569  657.835   39.103 -103.4507 47.84462 
1 1 1   23    4    3 o  332.361   42.124  223.438   54.636   0.0000   0.0000  223.438   54.636  ?   ?   332.361   42.124      ?      ? 
1 1 1   23    4    4 f  232.323   29.027  112.839   20.118  114.059   22.423  107.803   45.558  240.324   23.909  224.322   52.902 16.00148 58.05436 
1 1 1   23    4    5 o  391.275   24.196  289.443   31.710  274.374   36.079  340.602   66.478  372.470   24.822  410.080   41.541 -37.60947 48.39169 
1 1 1   23    4    6 o  446.745   23.025  390.828   36.623  379.431   43.382  419.095   68.322  437.731   25.396  455.758   38.414 -18.02634 46.05022 
1 1 1   23    4    7 o  418.921   24.524  363.524   35.939  379.541   42.909  325.881   65.780  437.699   25.121  400.144   42.126 37.55499 49.04735 
1 1 1   23    4    8 o  106.104   31.033   0.0100   8.2203  -1.5884   8.3521   49.427   46.439   51.018   22.258  161.190   57.939 -110.1722 62.06684 
1 1 1   23    4    9 o  297.445   26.100  152.768   22.922  140.491   24.838  223.260   59.515  266.243   23.906  328.647   46.405 -62.40421 52.20064 
1 1 1   23    4   10 o  383.918   52.582  308.240   36.302  304.284   37.352  375.607  154.152  391.449   24.452  376.386  102.281 15.06308 105.1633 
1 1 1   23    4   11 o  469.190   27.650  442.042   41.471  435.735   46.723  465.464   90.037  467.693   25.600  470.687   49.018 -2.994049 55.30045 
1 1 1   23    4   12 o  119.469   32.000   16.513   9.1610   15.753   9.3217   37.979   49.539   87.961   25.606  150.978   58.654 -63.01727 63.99957 
1 1 1   23    4   13 f  176.156   32.946   81.480   24.699   99.987   27.090  -9.7007   60.130  222.438   31.208  129.874   58.034 92.56392 65.89269 
1 1 1   23    4   14 o  205.422   77.073   94.941   83.616   0.0000   0.0000   94.941   83.616  ?   ?   205.422   77.073      ?      ? 
1 1 1   23    4   15 f  265.159   87.773  187.701  105.754   0.0000   0.0000  187.701  105.754  ?   ?   265.159   87.773      ?      ? 
1 1 1   23    4   16 o  181.320   34.473   69.238   23.501   69.238   23.501   0.0000   0.0000  181.320   34.473  ?   ?       ?      ? 
1 1 1   23    4   17 o  200.934   40.761  108.763   27.760  117.454   28.532 -45.3774  120.156  240.548   30.395  161.321   75.644 79.22696 81.52259 
1 1 1   23    4   20 o  147.019   34.410   46.667   19.392   46.667   19.392   0.0000   0.0000  147.019   34.410  ?   ?       ?      ? 
1 1 1   23    4   21 o   48.804   21.103  -0.6098   7.3716  -0.6098   7.3716   0.0000   0.0000   48.804   21.103  ?   ?       ?      ? 
1 1 1   23    4   22 o  138.440   34.673   41.896   18.691   41.896   18.691   0.0000   0.0000  138.440   34.673  ?   ?       ?      ? 
1 1 1   23    4   23 o  181.712   34.893   71.676   23.844   71.676   23.844   0.0000   0.0000  181.712   34.893  ?   ?       ?      ? 
1 1 1   23    5    0 o  595.302   24.291  653.367   50.708  590.347   58.697  838.766  100.678  545.712   27.563  644.891   40.005 -99.17914 48.58100 
1 1 1   23    5    1 o  377.762   43.234  289.435   63.735   0.0000   0.0000  289.435   63.735  ?   ?   377.762   43.234      ?      ? 
1 1 1   23    5    2 o  248.150   28.506  119.672   21.278  115.523   23.607  137.642   49.131  241.711   25.027  254.590   51.226 -12.87837 57.01261 
1 1 1   23    5    3 o  317.640   25.221  190.379   25.861  181.606   29.001  224.441   57.145  303.098   24.519  332.182   44.083 -29.08453 50.44292 
1 1 1   23    5    4 o  308.356   29.228  182.490   32.752  166.312   38.995  221.229   60.343  288.078   34.688  328.634   47.052 -40.55624 58.45641 
1 1 1   23    5    5 o  712.380   45.223  1037.51  125.720   0.0000   0.0000  1037.51  125.720  ?   ?   712.380   45.223      ?      ? 
1 1 1   23    5    6 o   81.355   28.318  -2.1885   8.5907  -0.9601   8.6861 -57.1969   58.126   53.042   22.921  109.668   51.792 -56.62598 56.63696 
1 1 1   23    5    7 o  624.135   27.538  803.081   60.092  821.799   71.340  757.359  111.498  642.328   28.461  605.941   47.152 36.38666 55.07589 
1 1 1   23    5    8 o  289.374   34.599  186.707   26.775  191.487   29.200  161.465   67.108  310.820   24.074  267.928   64.875 42.89200 69.19770 
1 1 1   23    5    9 o  464.572   28.194  431.568   41.451  425.159   46.515  456.288   91.355  462.344   25.781  466.799   50.150 -4.455811 56.38879 
1 1 1   23    5   10 o  393.212   53.091  321.477   37.416  316.640   38.498  403.926  158.943  399.055   24.722  387.370  103.264 11.68454 106.1817 
1 1 1   23    5   11 o  444.059   59.960  510.335   49.433  515.682   51.181  436.013  190.812  508.468   25.794  379.649  117.114 128.8192 119.9210 
1 1 1   23    5   12 o  213.903   34.645  136.244   22.897  150.551   24.224   16.260   70.150  275.287   22.549  152.520   65.519 122.7665 69.29038 
1 1 1   23    5   13 o  289.216   46.873  207.303   28.427  209.856   29.354  168.766  114.040  324.675   23.168  253.758   90.838 70.91655 93.74552 
1 1 1   23    5   14 o  250.418   84.832  162.405   98.727   0.0000   0.0000  162.405   98.727  ?   ?   250.418   84.832      ?      ? 
1 1 1   23    5   15 o  149.941   34.863   49.965   19.113   54.625   19.964  -1.2307   66.171  161.163   32.857  138.719   61.498 22.44415 69.72513 
1 1 1   23    5   16 o  219.491   83.151  118.023   97.857   0.0000   0.0000  118.023   97.857  ?   ?   219.491   83.151      ?      ? 
1 1 1   23    5   17 o  203.499   44.173   89.414   17.988   90.168   18.174   53.030  126.185  212.698   21.895  194.300   85.591 18.39806 88.34687 
1 1 1   23    5   18 o  280.723   30.925  160.884   33.879  160.884   33.879   0.0000   0.0000  280.723   30.925  ?   ?       ?      ? 
1 1 1   23    5   19 o  154.147   71.827 -24.1578  105.556   0.0000   0.0000 -24.1578  105.556  ?   ?   154.147   71.827      ?      ? 
1 1 1   23    5   21 o  135.174   33.811   39.701   17.790   39.701   17.790   0.0000   0.0000  135.174   33.811  ?   ?       ?      ? 
1 1 1   23    5   22 o  150.394   33.997   49.235   19.484   49.235   19.484   0.0000   0.0000  150.394   33.997  ?   ?       ?      ? 
1 1 1   23    5   23 o  484.195   37.595  502.606   71.037  502.606   71.037   0.0000   0.0000  484.195   37.595  ?   ?       ?      ? 
1 1 1   23    5   24 o  197.026   32.344   81.457   24.869   81.457   24.869   0.0000   0.0000  197.026   32.344  ?   ?       ?      ? 
1 1 1   23    5   25 o  236.762   32.789  118.343   30.295  118.343   30.295   0.0000   0.0000  236.762   32.789  ?   ?       ?      ? 
1 1 1   23    6    0 o  431.816   23.314  286.315   31.757  236.531   34.717  541.487   78.598  345.597   25.742  518.036   38.879 -172.4392 46.62862 
1 1 1   23    6    1 f  461.450   29.500  421.949   52.024  385.804   66.097  480.799   84.339  437.288   38.733  485.613   44.505 -48.32489 58.99960 
1 1 1   23    6    2 o  383.348   29.297  272.444   41.587  221.078   50.054  386.927   74.726  330.944   38.757  435.751   43.944 -104.8069 58.59355 
1 1 1   23    6    3 o  665.567   27.715  939.695   67.545  1067.80   86.205  735.980  108.707  731.984   30.179  599.149   46.493 132.8344 55.42906 
1 1 1   23    6    4 o  402.695   46.050  332.601   72.366   0.0000   0.0000  332.601   72.366  ?   ?   402.695   46.050      ?      ? 
1 1 1   23    6    5 o  299.604   30.655  169.874   25.332  162.895   27.434  210.265   65.994  286.789   24.513  312.419   56.196 -25.63019 61.30939 
1 1 1   23    6    6 o  267.852   37.536  157.256   25.450  158.885   27.164  145.557   72.793  283.132   24.585  252.573   70.933 30.55869 75.07241 
1 1 1   23    6    7 o  178.185   33.844   87.039   20.691   96.845   21.413 -51.0760   80.363  220.918   24.838  135.452   62.967 85.46590 67.68877 
1 1 1   23    6    8 o  186.438   40.561   53.678   16.129   51.988   16.451   95.611   81.943  161.637   26.081  211.239   76.814 -49.60217 81.12119 
1 1 1   23    6    9 o  369.690   29.583  266.888   31.841  259.845   34.765  303.548   79.313  361.540   24.641  377.839   53.791 -16.29971 59.16593 
1 1 1   23    6   10 o  200.328   37.085   74.933   18.062   73.025   18.760   99.144   66.815  191.473   25.107  209.184   69.792 -17.71109 74.17064 
1 1 1   23    6   11 o  322.072   51.076  283.892   34.823  290.681   35.962  181.813  139.445  382.084   24.119  262.060   99.264 120.0245 102.1519 
1 1 1   23    6   12 o  226.665   40.172  141.655   23.222  147.958   23.928   39.527   96.320  272.820   22.475  180.511   77.136 92.30867 80.34389 
1 1 1   23    6   13 f  155.923   34.111   54.853   14.913   57.656   15.201 -16.9486   76.935  170.168   22.891  141.677   64.267 28.49127 68.22198 
1 1 1   23    6   14 o  145.957   32.691   45.171   13.730   47.334   14.045  -1.3382   65.124  154.063   23.361  137.850   61.067 16.21306 65.38253 
1 1 1   23    6   15 o  119.308   32.538   24.459   14.092   26.884   14.491 -17.8020   60.491  113.316   31.587  125.300   56.895 -11.98363 65.07510 
1 1 1   23    6   16 o  165.584   42.075   48.095   18.966   48.124   19.347   47.394   96.053  150.628   33.751  180.540   77.086 -29.91176 84.15081 
1 1 1   23    6   17 f  122.339   37.846   19.322   13.482   20.948   13.581 -91.5979  112.169  101.122   31.253  143.556   68.939 -42.43353 75.69179 
1 1 1   23    6   18 o  197.655   82.266   86.430  104.997   86.430  104.997   0.0000   0.0000  197.655   82.266  ?   ?       ?      ? 
1 1 1   23    6   19 o  143.921   47.093   11.043   10.559   10.329   10.594  119.767  130.734   76.720   27.662  211.123   90.033 -134.4034 94.18630 
1 1 1   23    6   23 o  175.735   75.968   68.859   95.484   68.859   95.484   0.0000   0.0000  175.735   75.968  ?   ?       ?      ? 
1 1 1   23    6   24 o  170.882   74.377   62.661   92.786   62.661   92.786   0.0000   0.0000  170.882   74.377  ?   ?       ?      ? 
1 1 1   23    6   25 o  145.111   66.384   11.720   84.325   11.720   84.325   0.0000   0.0000  145.111   66.384  ?   ?       ?      ? 
1 1 1   23    7    0 o  451.320   51.008  342.136   39.845  329.383   40.813  601.507  184.057  407.594   25.659  495.046   98.737 -87.45239 102.0161 
1 1 1   23    7    1 o  132.637   31.683   36.413   15.422   40.628   16.075 -12.3279   54.669  140.146   30.278  125.127   55.665 15.01863 63.36670 
1 1 1   23    7    2 o  287.819   28.810  136.650   23.442  124.379   25.107  220.047   65.455  250.426   25.691  325.211   51.576 -74.78543 57.62022 
1 1 1   23    7    3 f  133.191   37.722   23.834   24.332   25.881   26.621   13.444   59.973  121.200   43.827  145.183   61.408 -23.98347 75.44363 
1 1 1   23    7    4 o  434.223   28.334  257.517   38.572  182.414   42.012  660.555   97.324  300.759   35.795  567.686   43.932 -266.9267 56.66850 
1 1 1   23    7    5 o  266.753   32.931   98.093   25.298   77.610   27.009  244.522   72.215  192.883   37.231  340.622   54.328 -147.7393 65.86117 
1 1 1   23    7    6 o  173.394   34.624   72.502   19.498   78.354   20.358   7.6290   67.784  198.459   26.287  148.329   64.064 50.13025 69.24730 
1 1 1   23    7    7 o  733.998   29.641  1113.25   76.564  1123.96   91.006  1087.30  141.639  748.237   31.167  719.760   50.427 28.47693 59.28143 
1 1 1   23    7    8 o  355.184   39.712  311.330   36.245  329.967   39.701  218.074   88.808  407.262   24.980  303.106   75.393 104.1556 79.42340 
1 1 1   23    7    9 o  527.572   35.431  595.700   53.003  600.196   58.088  573.343  129.542  547.947   27.165  507.197   65.449 40.75024 70.86292 
1 1 1   23    7   10 o  170.793   39.137   57.069   16.457   58.255   16.728   21.307   91.863  170.911   25.080  170.675   74.146 0.2353821 78.27301 
1 1 1   23    7   11 o  162.370   38.656   51.872   17.154   53.324   17.500   16.191   86.739  160.584   28.992  164.156   71.669 -3.571655 77.31122 
1 1 1   23    7   12 o  204.801   39.295  102.997   20.870  106.368   21.484   46.558   87.908  230.956   23.837  178.646   74.887 52.30980 78.58963 
1 1 1   23    7   13 o  228.746   39.788  139.688   23.020  145.247   23.857   64.618   87.673  270.072   22.636  187.420   76.288 82.65274 79.57544 
1 1 1   23    7   14 o  255.872   40.960  206.568   28.306  220.116   29.375   30.487  105.898  332.377   22.647  179.367   78.726 153.0094 81.91914 
1 1 1   23    7   15 o  133.392   33.146   35.207   12.732   37.207   12.928 -29.1927   73.370  134.138   25.631  132.646   61.136 1.491455 66.29148 
1 1 1   23    7   16 o  136.823   43.947   10.614   10.015   10.083   10.056   75.450  111.112   75.700   26.988  197.945   83.647 -122.2452 87.89314 
1 1 1   23    7   17 o  154.209   40.763   47.807   20.677   51.321   20.975 -73.3171  123.148  154.692   35.499  153.725   73.392 0.9666901 81.52674 
1 1 1   23    7   18 f  195.841   78.536   91.797   91.392   91.797   91.392   0.0000   0.0000  195.841   78.536  ?   ?       ?      ? 
1 1 1   23    7   19 o  209.678   43.246  119.808   27.130  124.518   27.622  -8.8126  144.350  246.611   28.702  172.745   81.592 73.86641 86.49271 
1 1 1   23    7   20 o  134.314   44.552   8.3661   8.2675   7.8507   8.2878  113.188  118.195   67.498   24.447  201.130   85.685 -133.6326 89.10395 
1 1 1   23    7   23 o  270.767  105.638  323.066  161.213  323.066  161.213   0.0000   0.0000  270.767  105.638  ?   ?       ?      ? 
1 1 1   23    7   24 o  216.561   90.631  172.358  128.428  172.358  128.428   0.0000   0.0000  216.561   90.631  ?   ?       ?      ? 
1 1 1   23    8    0 o  252.960   25.423  127.025   25.096  127.025   25.096   0.0000   0.0000  252.960   25.423  ?   ?       ?      ? 
1 1 1   23    8    1 o  483.774   54.606  455.952   47.467  445.292   48.889  631.223  198.239  473.257   26.472  494.291  105.955 -21.03394 109.2122 
1 1 1   23    8    2 o  231.727   37.890  119.751   22.771  121.682   24.068  103.274   70.304  247.630   24.906  215.824   71.571 31.80669 75.78098 
1 1 1   23    8    3 f  264.579   33.799  106.099   21.450   95.935   22.450  212.581   72.667  219.642   26.193  309.516   62.318 -89.87396 67.59890 
1 1 1   23    8    4 o  227.455   42.855   97.123   33.331   81.219   37.488  157.150   72.829  193.734   49.425  261.176   70.023 -67.44139 85.70934 
1 1 1   23    8    5 o  439.582   33.119  384.658   41.483  376.829   45.144  427.150  105.168  434.918   26.599  444.247   60.664 -9.328461 66.23876 
1 1 1   23    8    6 o  269.916   79.654  175.978   89.663   0.0000   0.0000  175.978   89.663  ?   ?   269.916   79.654      ?      ? 
1 1 1   23    8    7 o  377.964   34.198  272.994   34.841  263.034   37.346  339.839   96.749  363.107   26.356  392.820   63.113 -29.71326 68.39542 
1 1 1   23    8    8 o  418.487   55.292  356.350   41.915  348.256   43.150  491.749  176.482  417.536   26.482  419.437  107.366 -1.901581 110.5837 
1 1 1   23    8    9 o  292.067   47.421  257.343   34.244  269.522   35.431   84.652  133.417  367.695   24.693  216.439   91.572 151.2566 94.84232 
1 1 1   23    8   10 o  136.989   36.860   31.542   13.334   32.910   13.483 -29.4660   90.015  125.668   28.187  148.311   68.118 -22.64291 73.72001 
1 1 1   23    8   11 o  409.076   25.656  334.853   40.957  334.853   40.957   0.0000   0.0000  409.076   25.656  ?   ?       ?      ? 
1 1 1   23    8   12 o  325.844   24.980  212.350   31.764  212.350   31.764   0.0000   0.0000  325.844   24.980  ?   ?       ?      ? 
1 1 1   23    8   13 o  222.683   37.641  147.681   23.865  158.021   24.794   17.275   88.047  281.652   22.558  163.714   71.822 117.9380 75.28135 
1 1 1   23    8   14 o  648.095   42.832  883.430  108.328  883.430  108.328   0.0000   0.0000  648.095   42.832  ?   ?       ?      ? 
1 1 1   23    8   15 f  105.576   35.603  -6.7458   19.905  -4.2688   20.536 -45.2374   80.952   77.998   34.435  133.154   62.326 -55.15668 71.20596 
1 1 1   23    8   16 o  165.029   48.824   34.888   25.538   32.829   26.085   82.393  125.308  127.149   43.602  202.908   87.371 -75.75851 97.64700 
1 1 1   23    8   17 o  150.230   49.677 -25.8233   67.439 -23.9124   81.004 -30.1392  121.738  138.382   63.940  162.078   76.045 -23.69601 99.35326 
1 1 1   23    8   18 o  111.966   37.781   25.531   19.581   25.531   19.581   0.0000   0.0000  111.966   37.781  ?   ?       ?      ? 
1 1 1   23    8   19 o  118.146   37.987   15.053   14.862   16.441   15.004 -57.0262  108.151   93.223   32.994  143.070   68.436 -49.84623 75.97424 
1 1 1   23    8   20 o  157.243   39.182   56.891   20.516   60.514   20.795 -75.4645  125.675  167.702   32.950  146.783   71.099 20.91882 78.36317 
1 1 1   23    8   21 o  191.939   30.758   76.589   23.039   76.589   23.039   0.0000   0.0000  191.939   30.758  ?   ?       ?      ? 
1 1 1   23    8   22 o  213.865   92.536  160.717  141.936  160.717  141.936   0.0000   0.0000  213.865   92.536  ?   ?       ?      ? 
1 1 1   23    8   23 o  173.230   79.393   49.630  121.378   49.630  121.378   0.0000   0.0000  173.230   79.393  ?   ?       ?      ? 
1 1 1   23    8   24 o  215.517   92.297  181.575  138.449  181.575  138.449   0.0000   0.0000  215.517   92.297  ?   ?       ?      ? 
1 1 1   23    9    0 o  215.320   39.014   72.368   19.279   67.451   19.948  142.028   75.082  183.821   27.809  246.818   72.905 -62.99738 78.02879 
1 1 1   23    9    1 o  226.427   44.184   53.490   16.745   48.817   16.980  218.515  100.904  153.806   29.361  299.048   83.348 -145.2423 88.36808 
1 1 1   23    9    2 o  205.751   45.547   50.530   19.751   45.348   20.172  170.723   97.147  146.841   35.577  264.662   83.858 -117.8207 91.09312 
1 1 1   23    9    3 o  607.127   38.063  829.075   67.481  859.358   75.159  703.164  153.255  654.968   29.406  559.286   70.218 95.68182 76.12665 
1 1 1   23    9    4 o  679.787   31.734  884.336   67.612  836.100   75.006  1093.44  156.171  645.616   29.771  713.958   56.052 -68.34204 63.46801 
1 1 1   23    9    5 o  448.037   64.480  444.771  112.739   0.0000   0.0000  444.771  112.739  ?   ?   448.037   64.480      ?      ? 
1 1 1   23    9    6 o  480.116   68.603  521.277  128.534   0.0000   0.0000  521.277  128.534  ?   ?   480.116   68.603      ?      ? 
1 1 1   23    9    7 o  251.531   92.025  160.766  117.866   0.0000   0.0000  160.766  117.866  ?   ?   251.531   92.025      ?      ? 
1 1 1   23    9    8 o  162.858   40.941   42.904   16.105   42.660   16.370   50.240   89.823  142.974   30.283  182.741   76.077 -39.76648 81.88269 
1 1 1   23    9    9 o  381.272   55.592  313.682   39.423  308.182   40.589  405.262  165.638  392.241   26.517  370.303  107.976 21.93750 111.1841 
1 1 1   23    9   10 o  393.573   55.546  364.737   41.966  362.788   43.411  392.553  164.005  425.543   26.141  361.603  107.973 63.93985 111.0928 
1 1 1   23    9   11 o  243.327   49.250  146.346   43.076  151.599   47.039  119.049  107.225  264.027   47.396  222.627   86.347 41.40021 98.49960 
1 1 1   23    9   12 o  292.695   44.319  260.428   46.830  309.639   52.598   72.234  102.859  388.861   34.661  196.530   81.580 192.3303 88.63801 
1 1 1   23    9   13 o  269.374   41.703  152.042   43.839  152.042   43.839   0.0000   0.0000  269.374   41.703  ?   ?       ?      ? 
1 1 1   23    9   14 o   89.766   40.597 -12.1323   30.433 -12.1323   30.433   0.0000   0.0000   89.766   40.597  ?   ?       ?      ? 
1 1 1   23    9   15 o  150.161   43.651   39.593   32.165   50.025   33.169 -125.0195  131.758  151.680   49.100  148.643   72.186 3.036255 87.30227 
1 1 1   23    9   16 o  178.433   48.452   65.821   33.717   68.777   34.845   22.384  133.580  174.295   49.121  182.571   83.532 -8.276276 96.90420 
1 1 1   23    9   17 f  184.086   48.908   71.085   31.274   72.169   32.063   49.869  141.885  178.741   45.769  189.431   86.447 -10.68950 97.81507 
1 1 1   23    9   18 o  222.755   80.808  143.943   90.606  143.943   90.606   0.0000   0.0000  222.755   80.808  ?   ?       ?      ? 
1 1 1   23    9   19 o  213.906   56.895  135.453   63.758  141.203   75.656  121.363  118.434  224.112   74.242  203.700   86.234 20.41243 113.7905 
1 1 1   23    9   20 o  170.248   47.887   49.453   25.200   46.964   25.735  107.498  124.264  144.251   42.702  196.245   85.728 -51.99411 95.77471 
1 1 1   23    9   21 o  244.847   35.684  127.381   34.095  127.381   34.095   0.0000   0.0000  244.847   35.684  ?   ?       ?      ? 
1 1 1   23    9   22 o  126.628   39.350   35.296   21.497   35.296   21.497   0.0000   0.0000  126.628   39.350  ?   ?       ?      ? 
1 1 1   23    9   23 o  194.364   85.422  115.903  125.039  115.903  125.039   0.0000   0.0000  194.364   85.422  ?   ?       ?      ? 
1 1 1   23   10    0 o  182.689   41.906   46.697   17.541   43.511   17.958  112.954   81.889  144.107   32.685  221.272   77.176 -77.16498 83.81155 
1 1 1   23   10    1 o  364.996   38.042  268.805   34.620  262.507   36.967  313.725   98.735  362.713   26.117  367.279   71.460 -4.566254 76.08314 
1 1 1   23   10    2 o  269.294   46.994  123.637   24.254  118.820   24.826  224.569  113.643  244.009   26.072  294.579   90.300 -50.57024 93.98846 
1 1 1   23   10    3 o  609.709   64.553  716.390   65.042  692.523   66.634  1198.09  299.352  587.363   29.071  632.055  125.789 -44.69141 129.1051 
1 1 1   23   10    4 o  239.348   41.842  140.100   26.366  144.294   27.598   96.248   89.238  268.726   26.317  209.970   79.438 58.75607 83.68371 
1 1 1   23   10    5 o  461.045   51.934  383.060   43.825  367.375   45.085  651.920  186.657  428.401   26.968  493.689  100.307 -65.28748 103.8686 
1 1 1   23   10    6 o  234.124   44.891   73.253   20.711   67.329   21.159  208.874  101.238  182.841   29.654  285.407   84.744 -102.5656 89.78221 
1 1 1   23   10    7 o  159.173   47.042   28.174   42.452   20.597   48.537   52.835   87.566  136.045   56.220  182.302   75.439 -46.25726 94.08407 
1 1 1   23   10    8 o  295.450  102.002  254.604  142.873   0.0000   0.0000  254.604  142.873  ?   ?   295.450  102.002      ?      ? 
1 1 1   23   10    9 o  132.570   41.226   4.9697   34.173   3.1526   38.332   12.006   75.433  112.086   48.294  153.053   66.828 -40.96658 82.45181 
1 1 1   23   10   10 o  166.622   47.779   38.605   37.566   31.588   40.969   75.658   94.141  137.634   53.376  195.609   79.261 -57.97429 95.55795 
1 1 1   23   10   11 o  207.421   45.453  107.759   40.637  123.174   45.957   52.499   87.010  234.950   51.541  179.892   74.883 55.05771 90.90568 
1 1 1   23   10   12 o  205.904   46.459  105.800   41.440  119.222   46.392   52.818   92.173  230.048   52.796  181.760   76.463 48.28792 92.91895 
1 1 1   23   10   13 o  244.958   47.071  160.547   45.275  177.684   50.049   83.353  106.223  289.337   44.326  200.579   83.052 88.75768 94.14108 
1 1 1   23   10   14 o  256.955   47.967  188.659   48.001  209.566   52.236   75.207  121.687  314.522   42.559  199.387   85.977 115.1350 95.93362 
1 1 1   23   10   15 o  172.630   55.498   9.8372   71.407 -12.9437   82.993   74.769  140.115  144.186   65.922  201.073   89.299 -56.88754 110.9953 
1 1 1   23   10   16 o  140.219   54.856   35.958   43.563   35.958   43.563   0.0000   0.0000  140.219   54.856  ?   ?       ?      ? 
1 1 1   23   10   17 o  274.111   50.091  172.077   51.607  172.077   51.607   0.0000   0.0000  274.111   50.091  ?   ?       ?      ? 
1 1 1   23   10   18 o  340.379   39.629  249.277   52.639  249.277   52.639   0.0000   0.0000  340.379   39.629  ?   ?       ?      ? 
1 1 1   23   10   19 o  107.779   37.529 -29.5269   27.779 -29.3902   29.099 -30.9317   93.310   76.137   36.159  139.422   65.775 -63.28500 75.05856 
1 1 1   23   10   20 o  133.490   44.754 -26.3637   55.104 -22.5815   63.604 -37.7460  110.339  120.423   55.993  146.557   69.832 -26.13463 89.50780 
1 1 1   23   10   21 o  128.185   58.056  -1.1128   62.492  -1.1128   62.492   0.0000   0.0000  128.185   58.056  ?   ?       ?      ? 
1 1 1   23   10   22 o  195.683   46.239   89.214   34.750   89.214   34.750   0.0000   0.0000  195.683   46.239  ?   ?       ?      ? 
1 1 1   23   10   23 o  166.163   47.891   65.836   32.754   65.836   32.754   0.0000   0.0000  166.163   47.891  ?   ?       ?      ? 
1 1 1   23   11    0 o  194.783   43.279   47.390   17.612   43.118   17.974  150.173   88.170  143.190   32.862  246.377   80.077 -103.1869 86.55752 
1 1 1   23   11    1 o  309.561   40.353  153.478   28.060  141.155   29.204  301.656  101.269  265.154   28.223  353.969   75.610 -88.81589 80.70538 
1 1 1   23   11    2 o  212.111   41.449   88.339   21.636   86.941   22.377  108.392   84.763  208.214   27.540  216.008   78.190 -7.793945 82.89838 
1 1 1   23   11    3 o  319.668   50.577  190.076   32.148  182.625   33.101  313.932  134.951  301.543   28.129  337.792   97.165 -36.24896 101.1548 
1 1 1   23   11    4 o  448.805   58.300  466.224   50.378  461.726   52.264  525.195  189.254  479.462   27.933  418.148  113.204 61.31360 116.5996 
1 1 1   23   11    5 o  205.488   41.685  102.088   24.969  106.334   25.765   36.523  101.243  229.838   28.726  181.139   78.264 48.69977 83.36964 
1 1 1   23   11    6 o  264.352   54.309  180.401   56.577  190.809   64.384  145.122  118.538  289.970   58.907  238.734   91.257 51.23615 108.6182 
1 1 1   23   11    7 o  260.885   47.304  189.792   53.432  232.949   61.227   51.926  109.430  331.034   47.395  190.737   81.881 140.2967 94.60836 
1 1 1   23   11    8 o  176.762   48.303   61.038   43.474   62.907   50.041   55.284   87.784  171.303   60.295  182.222   75.480 -10.91943 96.60587 
1 1 1   23   11    9 o  168.817   71.318   37.388   80.734   0.0000   0.0000   37.388   80.734  ?   ?   168.817   71.318      ?      ? 
1 1 1   23   11   10 o  210.343   51.113  102.542   46.809  101.062   53.915  107.072   94.335  207.998   61.862  212.687   81.384 -4.689148 102.2262 
1 1 1   23   11   11 o  268.041   48.583  197.654   53.650  232.292   62.060   95.196  106.737  328.709   48.380  207.374   84.265 121.3355 97.16637 
1 1 1   23   11   12 o  357.279   58.619  333.578   64.552  333.718   70.562  332.862  159.839  395.204   45.753  319.354  107.941 75.84976 117.2377 
1 1 1   23   11   13 o  220.928   44.149  136.580   48.091  181.997   55.010 -10.6644   99.049  284.989   51.352  156.866   71.829 128.1228 88.29733 
1 1 1   23   11   14 f  209.802   54.237  104.433   47.391  104.350   50.547  105.032  136.251  209.118   59.242  210.485   90.869 -1.367004 108.4749 
1 1 1   23   11   15 o  194.914   60.434   72.655   92.697  130.071  118.605 -17.4641  148.593  215.377   88.319  174.452   82.515 40.92516 120.8681 
1 1 1   23   11   16 o  137.492   46.761 -22.3356   45.371 -24.4960   48.171  -5.3518  135.059  105.585   48.969  169.398   79.677 -63.81259 93.52187 
1 1 1   23   11   17 o  206.755   47.115  127.371   47.875  149.605   51.388 -18.7567  131.744  250.843   54.088  162.667   77.161 88.17607 94.23044 
1 1 1   23   11   18 o  191.762   54.125   78.366   48.352   61.659   52.916  162.879  119.015  162.646   61.256  220.878   89.252 -58.23285 108.2510 
1 1 1   23   11   19 o  255.246   43.828  226.313   55.956  277.494   60.740 -60.7444  143.849  354.079   43.959  156.413   75.836 197.6665 87.65567 
1 1 1   23   11   20 o  167.998   48.673   63.814   41.663   70.710   43.440 -15.3413  147.171  170.192   56.251  165.804   79.448 4.388382 97.34538 
1 1 1   23   11   21 o  148.512   54.357   50.149   41.129   50.149   41.129   0.0000   0.0000  148.512   54.357  ?   ?       ?      ? 
1 1 1   23   11   22 o  167.489   68.767   68.139   72.014   68.139   72.014   0.0000   0.0000  167.489   68.767  ?   ?       ?      ? 
1 1 1   23   12    0 o  362.789   56.895  351.699   42.752  355.808   44.176  291.075  169.703  421.130   26.881  304.448  110.569 116.6818 113.7892 
1 1 1   23   12    1 o  326.053   27.928  213.761   35.535  213.761   35.535   0.0000   0.0000  326.053   27.928  ?   ?       ?      ? 
1 1 1   23   12    2 o  151.490   41.246   32.702   14.968   32.508   15.160   40.222   94.329  124.344   31.272  178.635   76.335 -54.29131 82.49223 
1 1 1   23   12    3 o  456.431   58.310  454.214   49.537  444.812   51.192  592.561  196.372  470.268   27.895  442.594  113.234 27.67416 116.6192 
1 1 1   23   12    4 o  446.226  134.472  720.223  253.521   0.0000   0.0000  720.223  253.521  ?   ?   446.226  134.472      ?      ? 
1 1 1   23   12    5 o  373.567   58.490  393.863   70.564  420.288   78.493  282.539  161.108  446.158   45.083  300.975  107.944 145.1829 116.9803 
1 1 1   23   12    6 o  483.734   67.503  517.276   84.959  476.885   90.653  808.865  243.571  471.562   49.262  495.907  125.697 -24.34454 135.0054 
1 1 1   23   12    7 o  127.806   40.694 -16.4836   43.879   11.496   56.836 -57.7662   69.037  136.949   58.906  118.662   56.162 18.28748 81.38885 
1 1 1   23   12    8 f  287.887   55.722  219.776   61.612  230.904   71.079  186.145  123.565  317.892   59.483  257.881   94.243 60.01117 111.4447 
1 1 1   23   12    9 o  177.844   47.745   63.520   49.060   96.719   61.780   6.8382   80.723  202.376   67.091  153.312   67.948 49.06398 95.48930 
1 1 1   23   12   10 o  222.335   64.800   44.832   69.289  310.358  177.227  -3.0765   75.280  300.297  112.298  144.372   64.693 155.9252 129.5992 
1 1 1   23   12   11 o  197.223   61.633   54.085   77.720  116.550  171.807   38.014   87.147  224.301   99.284  170.145   73.056 54.15526 123.2657 
1 1 1   23   12   12 o  169.334   47.109   45.468   52.054  102.146   67.360 -38.5564   82.016  203.794   70.057  134.873   63.002 68.92085 94.21883 
1 1 1   23   12   13 o  143.225   46.418 -12.3476   54.697 -22.1647   66.467   8.2487   96.274  126.669   58.310  159.782   72.240 -33.11383 92.83676 
1 1 1   23   12   14 o  202.190   57.697   96.895   57.027   95.012   60.984  110.010  160.936  194.862   66.670  209.519   94.185 -14.65770 115.3936 
1 1 1   23   12   15 o  163.059   52.263   12.695   54.510  -6.4877   60.007  103.245  130.373  125.705   56.915  200.414   87.673 -74.70908 104.5265 
1 1 1   23   12   16 o  143.636   45.955   12.135   51.312   32.895   56.844 -79.2194  119.242  143.930   60.271  143.341   69.389 0.5891724 91.90974 
1 1 1   23   12   17 o  156.895   48.530   39.639   51.885   53.152   57.311 -21.7673  122.169  157.216   62.475  156.574   74.281 0.6416931 97.06090 
1 1 1   23   12   18 o  151.564   48.576  -1.2953   50.138 -28.3363   56.469   99.415  108.977  111.576   52.171  191.551   81.956 -79.97519 97.15263 
1 1 1   23   12   19 o  162.612   52.321   32.492   49.254   26.679   52.068   81.957  151.887  135.715   57.300  189.509   87.560 -53.79424 104.6429 
1 1 1   23   12   20 o  125.339   44.828 -42.9661   43.158 -37.3425   44.414 -138.1747  182.749   94.214   44.723  156.463   77.706 -62.24879 89.65690 
1 1 1   23   12   21 o   85.879   41.216 -43.0988   39.963 -43.0988   39.963   0.0000   0.0000   85.879   41.216  ?   ?       ?      ? 
1 1 1   23   13    0 o  205.243   46.343   83.824   22.513   84.044   22.884   77.213  125.551  204.122   28.728  206.365   88.123 -2.243164 92.68690 
1 1 1   23   13    1 f  160.079   43.912   39.267   18.117   39.395   18.361   34.543  111.576  136.242   34.499  183.916   80.764 -47.67461 87.82370 
1 1 1   23   13    2 o  191.837   66.800   83.550   61.339   83.550   61.339   0.0000   0.0000  191.837   66.800  ?   ?       ?      ? 
1 1 1   23   13    3 o  125.853   56.771 -13.6297   59.066 -13.6297   59.066   0.0000   0.0000  125.853   56.771  ?   ?       ?      ? 
1 1 1   23   13    4 o  282.867   53.452  221.799   63.046  254.129   72.522  121.763  127.569  340.375   54.598  225.358   91.910 115.0176 106.9035 
1 1 1   23   13    5 o  160.690   49.114   24.440   52.820   22.778   63.301   28.251   95.843  148.762   63.014  172.618   75.351 -23.85641 98.22721 
1 1 1   23   13    6 o  189.101   52.466   74.497   55.429   76.063   69.706   71.805   91.411  186.939   70.325  191.262   77.880 -4.323151 104.9326 
1 1 1   23   13    7 o  149.376   45.867 -11.4981   52.773 -73.8882   70.594   67.534   79.453  114.740   54.992  184.012   73.423 -69.27190 91.73322 
1 1 1   23   13    8 o  107.627   36.319 -60.7003   42.548 -72.9420   63.142 -50.5189   57.584  107.022   51.479  108.233   51.246 -1.210793 72.63741 
1 1 1   23   13    9 o  235.784   59.115  123.398   64.226   77.913   76.273  234.246  119.069  188.177   72.870  283.390   93.103 -95.21294 118.2292 
1 1 1   23   13   10 o  167.452   50.484   31.333   56.480   3.9978   70.927   78.705   93.372  142.861   63.486  192.043   78.512 -49.18211 100.9685 
1 1 1   23   13   11 o  154.729   48.404   8.8442   56.309 -17.9446   71.665   52.068   91.032  133.217   61.036  176.240   75.142 -43.02301 96.80747 
1 1 1   23   13   12 o  202.954   63.845   79.827   90.318  153.679  179.316   54.722  104.548  225.526  100.537  180.383   78.721 45.14302 127.6893 
1 1 1   23   13   13 o  203.689   57.767   95.713   57.293   83.300   62.847  156.783  139.395  184.237   67.229  223.141   93.959 -38.90326 115.5339 
1 1 1   23   13   14 o  201.318   61.420  108.540   90.558  144.855  116.427   52.921  144.085  216.766   88.036  185.870   85.669 30.89702 122.8394 
1 1 1   23   13   15 o  161.748   51.420   29.702   56.895   21.215   63.899   62.169  124.986  141.326   61.613  182.170   82.341 -40.84492 102.8407 
1 1 1   23   13   16 o  192.035   54.565  101.956   62.335  117.505   69.808   40.768  138.480  206.376   71.297  177.694   82.622 28.68187 109.1308 
1 1 1   23   13   17 o  179.752   53.121   79.694   62.185   97.095   71.714   26.956  124.847  189.925   71.354  169.580   78.715 20.34486 106.2419 
1 1 1   23   13   18 o  264.346   63.994  208.995   67.821  186.060   74.358  322.506  165.423  259.923   71.205  268.768  106.352 -8.845306 127.9875 
1 1 1   23   13   19 o  154.047   51.827   6.0916   49.973  -1.2482   52.395   80.029  166.296  119.299   53.674  188.794   88.675 -69.49490 103.6539 
1 1 1   23   13   20 o  158.582   52.334   32.983   48.529   34.665   49.873   3.0330  210.474  138.447   57.080  178.716   87.734 -40.26935 104.6677 
1 1 1   23   14    0 o  237.910   53.573   91.418   25.231   87.676   25.600  218.232  149.032  207.543   31.609  268.276  102.378 -60.73331 107.1466 
1 1 1   23   14    1 o  215.231   55.389  116.784   60.868  137.061   69.061   46.207  128.842  236.499   69.939  193.962   85.910 42.53738 110.7789 
1 1 1   23   14    2 f  189.992   53.818   74.717   58.230   88.109   66.803   32.360  118.807  195.206   69.562  184.778   82.137 10.42856 107.6355 
1 1 1   23   14    3 o  209.146   56.733  103.206   60.671  111.212   68.238   72.994  132.556  213.974   70.490  204.317   88.914 9.657333 113.4665 
1 1 1   23   14    4 o  275.911   63.133  197.219   68.718  185.286   76.956  244.177  152.654  273.644   71.335  278.179  104.184 -4.534943 126.2653 
1 1 1   23   14    5 o  143.169   62.811   8.3112   67.343   8.3112   67.343   0.0000   0.0000  143.169   62.811  ?   ?       ?      ? 
1 1 1   23   14    6 o  153.192   65.365   25.718   68.980   25.718   68.980   0.0000   0.0000  153.192   65.365  ?   ?       ?      ? 
1 1 1   23   14    7 o  293.346   65.563  189.197   73.917  124.982   83.486  422.149  159.011  220.531   77.852  366.162  105.514 -145.6301 131.1263 
1 1 1   23   14    8 o  360.549   63.207  366.707   83.030  367.588   95.648  364.012  167.255  398.135   61.562  322.964  110.411 75.17102 126.4141 
1 1 1   23   14    9 o  134.911   43.461 -15.4210   51.215 -48.8297   78.439   9.4047   67.617  127.877   60.322  141.945   62.585 -14.06841 86.92264 
1 1 1   23   14   10 o  229.279   55.989  146.515   65.167  192.027   86.333   86.241   99.352  265.192   78.133  193.366   80.215 71.82605 111.9784 
1 1 1   23   14   11 f  146.140   45.747  -3.3931   54.605   60.648   78.003 -64.9325   76.465  172.478   71.273  119.802   57.369 52.67542 91.49359 
1 1 1   23   14   12 o  167.320   52.809   21.229   64.750 -14.1525   77.778  101.116  116.873  136.567   62.944  198.072   84.813 -61.50536 105.6181 
1 1 1   23   14   13 o  133.264   45.593 -45.2501   52.957 -51.8308   58.483 -15.2841  124.798  105.754   50.514  160.774   75.915 -55.01979 91.18546 
1 1 1   23   14   14 o  186.393   58.722   77.071   87.364  104.812  118.636   44.205  129.132  195.814   84.663  176.972   81.395 18.84209 117.4435 
1 1 1   23   14   15 o  189.078   59.041   83.407   90.027  140.020  116.458  -0.6683  141.921  209.829   86.928  168.328   79.916 41.50067 118.0810 
1 1 1   23   14   16 o  126.014   43.552 -58.4687   54.807 -54.0783   60.948 -77.0222  125.289  106.814   51.167  145.213   70.491 -38.39960 87.10378 
1 1 1   23   14   17 o  190.836   52.951  100.811   55.267  109.942   60.903   58.213  131.547  202.387   66.590  179.285   82.346 23.10130 105.9014 
1 1 1   23   14   18 o  177.495   54.224   68.421   52.763   65.443   55.979   92.128  157.949  164.544   62.756  190.445   88.446 -25.90013 108.4487 
1 1 1   23   14   19 o  148.786   50.765 -20.6266   75.488  -1.7974   82.707 -114.5909  184.759  139.743   64.583  157.829   78.341 -18.08585 101.5297 
1 1 1   23   15    0 o  205.141   60.022   92.372   71.459   93.114   81.320   89.856  149.714  198.853   75.687  211.430   93.178 -12.57669 120.0447 
1 1 1   23   15    1 o  215.226   69.084   85.520  119.945   61.114  228.274   94.828  140.975  219.211  103.253  211.241   91.811 7.969742 138.1675 
1 1 1   23   15    2 o  209.926   56.895  111.509   64.885  130.896   72.429   32.719  146.014  227.487   72.443  192.365   87.751 35.12202 113.7901 
1 1 1   23   15    3 o  169.836   52.993   27.694   59.657   19.440   68.228   54.496  122.944  148.616   64.230  191.056   84.306 -42.44011 105.9863 
1 1 1   23   15    4 o  149.836   46.449   4.4509   55.801   52.252   70.177 -77.7361   92.019  168.302   68.350  131.369   62.915 36.93343 92.89792 
1 1 1   23   15    5 o  118.930   39.890 -66.7126   51.121 -118.8257   73.687 -18.3588   70.980  105.100   51.659  132.761   60.796 -27.66071 79.77996 
1 1 1   23   15    6 o  147.034   46.742  -1.5740   56.742   25.658   79.947 -29.2166   80.547  157.987   68.896  136.082   63.186 21.90448 93.48339 
1 1 1   23   15    7 o  168.145   71.324   46.650   81.275   46.650   81.275   0.0000   0.0000  168.145   71.324  ?   ?       ?      ? 
1 1 1   23   15    8 o  371.171   71.252  350.128   99.453  350.128   99.453   0.0000   0.0000  371.171   71.252  ?   ?       ?      ? 
1 1 1   23   15    9 o  143.474   65.197  -1.4081   79.627  -1.4081   79.627   0.0000   0.0000  143.474   65.197  ?   ?       ?      ? 
1 1 1   23   15   10 o  219.761   48.037  115.371   62.921  241.595   82.405 -61.1244   97.442  303.808   70.814  135.715   64.929 168.0928 96.07489 
1 1 1   23   15   11 o  206.799   54.496  123.356   66.915  170.219   80.775   20.843  119.468  244.958   76.303  168.641   77.826 76.31642 108.9911 
1 1 1   23   15   12 o  200.462   58.068  112.104   68.475  110.814   79.393  115.853  135.298  199.806   75.075  201.118   88.609 -1.312119 116.1369 
1 1 1   23   15   13 o  155.990   51.012   7.0440   59.904  -8.7778   67.571   65.138  129.478  129.391   59.277  182.590   83.036 -53.19864 102.0233 
1 1 1   23   15   14 o  227.243   70.787  137.313  119.156  439.815  206.218 -14.3065  145.995  288.159  117.114  166.326   79.548 121.8332 141.5748 
1 1 1   23   15   15 o  228.018   67.674  199.562  102.529  209.598  130.643  183.468  165.437  237.470   94.339  218.567   97.052 18.90260 135.3479 
1 1 1   23   15   16 o  203.967   63.934  117.327  115.319 -87.3562  188.388  239.986  145.835  165.233   81.483  242.701   98.543 -77.46829 127.8680 
1 1 1   23   15   17 o  193.208   59.707  109.855   87.883  143.462  112.620   57.522  140.537  207.733   85.725  178.684   83.132 29.04967 119.4139 
1 1 1   23   15   18 o  191.881   60.792  111.896  100.960  163.025  118.955 -19.8015  190.913  212.502   87.931  171.260   83.969 41.24196 121.5839 
1 1 1   23   16    0 o  292.471   65.421  255.396   76.902  248.737   85.154  284.851  179.082  312.680   71.360  272.263  109.670 40.41711 130.8422 
1 1 1   23   16    1 o  237.551   58.675  172.804   75.090  210.239   85.247   43.195  158.619  281.358   75.895  193.744   89.504 87.61403 117.3497 
1 1 1   23   16    2 o  183.061   83.219   36.847  129.898   0.0000   0.0000   36.847  129.898  ?   ?   183.061   83.219      ?      ? 
1 1 1   23   16    3 o  301.195  130.562  529.218  283.601  529.218  283.601   0.0000   0.0000  301.195  130.562  ?   ?       ?      ? 
1 1 1   23   16    4 o  212.656   58.686  120.587   67.168  111.896   80.944  139.805  120.363  205.967   76.115  219.345   89.346 -13.37860 117.3719 
1 1 1   23   16    5 o  186.569   54.940   78.585   64.874   82.288   80.115   71.533  110.563  185.890   73.868  187.249   81.345 -1.358261 109.8790 
1 1 1   23   16    6 o  131.893   42.411 -30.9246   49.088   42.501   75.137 -85.6014   64.839  160.808   68.407  102.978   50.152 57.83003 84.82236 
1 1 1   23   16    7 o  185.629   46.207   49.063   53.212  177.248   77.482 -65.3634   73.205  255.092   73.697  116.166   55.761 138.9256 92.41459 
1 1 1   23   16    8 o  298.268   54.394  284.939   73.239  346.041   88.074  147.982  131.859  380.511   59.313  216.025   91.196 164.4851 108.7875 
1 1 1   23   16    9 o  191.619   55.307   96.770   64.658  102.459   80.092   86.123  109.562  194.835   74.885  188.404   81.410 6.430435 110.6133 
1 1 1   23   16   10 o  130.448   43.785 -42.8438   59.267 -44.4779   77.498 -40.5419   91.982  124.764   59.181  136.133   64.546 -11.36897 87.57041 
1 1 1   23   16   11 o  152.117   66.805   30.152   76.352   30.152   76.352   0.0000   0.0000  152.117   66.805  ?   ?       ?      ? 
1 1 1   23   16   12 o  235.219   96.578  212.409  142.048  212.409  142.048   0.0000   0.0000  235.219   96.578  ?   ?       ?      ? 
1 1 1   23   16   13 o  170.060   82.497 -31.5025  170.828 -31.5025  170.828   0.0000   0.0000  170.060   82.497  ?   ?       ?      ? 
1 1 1   23   16   14 o  164.482   68.539   58.430   73.002   58.430   73.002   0.0000   0.0000  164.482   68.539  ?   ?       ?      ? 
1 1 1   23   16   15 o  182.251   57.373   74.174   79.971   44.564  101.721  122.096  129.406  166.164   74.770  198.338   87.041 -32.17371 114.7458 
1 1 1   23   16   16 o  140.710   48.346 -75.0517   84.801 -220.0968  156.671 -14.9495  100.851  135.961   68.192  145.460   68.549 -9.498657 96.69110 
1 1 1   23   16   17 o  228.649  101.741  268.150  182.725   0.0000   0.0000  268.150  182.725  ?   ?   228.649  101.741      ?      ? 
1 1 1   23   17    0 o  158.520   48.126   22.178   61.543   87.032   73.696 -127.2714  111.873  186.314   71.774  130.726   64.132 55.58832 96.25160 
1 1 1   23   17    1 o  297.111   64.339  267.947   75.143  253.057   84.950  321.496  161.099  310.189   71.627  284.033  106.899 26.15585 128.6770 
1 1 1   23   17    2 o  158.600   50.588   7.0622   61.003 -26.1152   73.299   81.830  110.035  128.635   59.910  188.564   81.532 -59.92874 101.1769 
1 1 1   23   17    3 o  246.029   59.197  188.901   68.573  198.609   80.151  162.389  132.450  269.690   73.946  222.368   92.462 47.32208 118.3943 
1 1 1   23   17    4 o  168.834   76.493   33.030  108.600   0.0000   0.0000   33.030  108.600  ?   ?   168.834   76.493      ?      ? 
1 1 1   23   17    5 o  128.337   42.450 -29.2854   52.571 -39.7617   70.693 -16.3236   78.633  121.212   57.204  135.463   62.734 -14.25156 84.89901 
1 1 1   23   17    6 o  163.507   50.414   32.908   57.735   1.2476   71.121   94.096   98.871  136.741   61.932  190.273   79.566 -53.53157 100.8279 
1 1 1   23   17    7 o  185.604   50.207   80.536   60.196  148.659   76.509 -30.1497   97.525  228.778   74.606  142.431   67.210 86.34650 100.4148 
1 1 1   23   17    8 o  148.331   47.717   5.7644   61.816   37.465   82.347 -35.1601   93.565  158.344   69.463  138.318   65.441 20.02635 95.43356 
1 1 1   23   17    9 o  188.076   61.739   72.791  102.634   3.7867  228.939   90.148  114.818  187.599   91.974  188.553   82.386 -0.9541168 123.4775 
1 1 1   23   17   10 o  169.193   52.338   53.633   66.913   81.041   79.192 -14.7662  125.102  179.578   72.720  158.808   75.290 20.77028 104.6751 
1 1 1   23   17   11 o  160.513   51.011   35.639   63.251   52.831   71.644 -25.1111  134.675  161.258   67.602  159.768   76.408 1.490143 102.0212 
1 1 1   23   17   12 o  150.062   48.619   15.455   58.794   25.826   67.012 -19.2205  122.533  144.214   62.978  155.909   74.089 -11.69408 97.23870 
1 1 1   23   17   13 o  117.805   41.145 -125.9322   66.763 -103.3823  103.512 -141.9949   87.363  127.051   62.196  108.559   53.883 18.49255 82.29018 
1 1 1   23   17   14 o  186.232   57.651   94.757   80.075  105.477  109.160   82.268  117.820  190.410   81.761  182.054   81.301 8.356049 115.3027 
1 1 1   23   17   15 o  128.021   43.582 -58.2405   64.522 -38.4331   90.111 -79.0796   92.428  132.331   63.068  123.712   60.167 8.618011 87.16412 
1 1 1   23   18    0 o  148.438   47.006   18.074   55.897   36.498   68.723 -17.9375   96.082  151.820   65.023  145.055   67.898 6.765579 94.01125 
1 1 1   23   18    1 o  185.183   53.025   89.091   61.760  112.953   72.971   28.828  115.962  202.171   72.632  168.194   77.275 33.97682 106.0507 
1 1 1   23   18    2 o  135.918   44.348 -10.9664   54.864   19.582   64.786 -88.4263  103.163  140.572   61.641  131.264   63.776 9.308044 88.69558 
1 1 1   23   18    3 o  173.850   53.399   60.130   60.742   55.209   69.737   75.598  123.648  162.676   67.321  185.023   82.909 -22.34734 106.7989 
1 1 1   23   18    4 o  204.678   58.184  105.682   64.147   72.972   74.885  195.835  124.322  174.513   70.699  234.844   92.429 -60.33032 116.3678 
1 1 1   23   18    5 o  150.915   48.204   16.787   59.032   9.4277   75.476   28.383   94.739  142.277   64.178  159.552   71.942 -17.27501 96.40785 
1 1 1   23   18    6 o  154.134   54.218 -88.4644   78.325   91.143  194.387 -123.2766   85.580  196.940   93.508  111.328   54.904 85.61220 108.4352 
1 1 1   23   18    7 o  239.131   98.620  228.338  148.931   0.0000   0.0000  228.338  148.931  ?   ?   239.131   98.620      ?      ? 
1 1 1   23   18    8 f  193.965   58.916   98.196   76.252   73.367   93.404  147.805  132.029  177.535   75.915  210.395   90.119 -32.86090 117.8320 
1 1 1   23   18    9 o  155.125   50.152   15.705   68.480   47.805   81.175 -63.5316  127.535  161.747   69.983  148.503   71.857 13.24387 100.3046 
1 1 1   23   18   10 o  160.357   51.677   31.594   61.072   31.706   68.051   31.127  138.441  147.618   63.973  173.095   81.175 -25.47784 103.3535 
1 1 1   23   18   11 o  150.718   51.220 -48.8736   89.991   9.1194  117.599 -130.8215  139.793  160.220   75.035  141.216   69.742 19.00346 102.4409 
1 1 1   23   18   12 o  164.269   53.974   26.448   83.377   40.047  119.187   13.415  116.679  168.460   77.740  160.077   74.895 8.382507 107.9480 
1 1 1   23   18   13 o  143.479   48.615 -35.9184   77.554 -54.8320  120.289 -22.4634  101.457  144.080   69.734  142.878   67.757 1.201553 97.23043 
1 1 1   23   19    0 o  235.767   57.026  183.211   67.780  204.538   77.672  115.116  138.790  272.870   71.924  198.663   88.514 74.20749 114.0517 
1 1 1   23   19    1 o  157.699   50.525   26.727   61.549   26.187   71.952   28.200  118.833  147.527   64.819  167.872   77.523 -20.34442 101.0507 
1 1 1   23   19    2 o  137.581   46.374 -34.3404   62.567 -34.4770   74.028 -33.9988  117.063  124.623   58.730  150.540   71.784 -25.91641 92.74792 
1 1 1   23   19    3 o  150.604   48.764   11.385   63.183   27.183   76.723 -21.9080  111.377  150.382   66.466  150.825   71.370 -0.4430542 97.52708 
1 1 1   23   19    4 o  183.773   60.876   34.034   90.680  194.123  187.824 -14.6213  103.547  218.594   99.641  148.952   69.965 69.64230 121.7517 
1 1 1   23   19    5 o  170.900   58.406 -10.3544   88.744  130.172  204.875 -42.8112   98.461  203.459   96.427  138.342   65.931 65.11716 116.8123 
1 1 1   23   19    6 f  173.789   57.716   33.595   96.553 -96.5114  213.597   67.007  108.243  170.506   84.566  177.073   78.571 -6.566833 115.4329 
1 1 1   23   19    7 o  121.794   41.427 -52.3853   54.103 -43.2004   65.094 -72.9063   97.298  113.804   54.057  129.784   62.791 -15.98036 82.85455 
1 1 1   23   19    8 o  153.230   53.117 -73.8767   89.462   43.801  171.611 -117.7904  104.833  181.526   86.658  124.933   61.448 56.59343 106.2332 
1 1 1   23   19    9 o  199.293   63.387  130.517  103.482  140.218  139.373  118.600  154.481  202.731   89.595  195.856   89.690 6.874847 126.7736 
1 1 1   23   19   10 o  177.179   56.206   24.072   97.949  178.155  121.176 -266.3857  166.372  219.669   89.582  134.689   67.908 84.97943 112.4119 
1 1 1   23   19   11 o  210.703   96.292  196.067  176.842   0.0000   0.0000  196.067  176.842  ?   ?   210.703   96.292      ?      ? 
1 1 1   23   20    0 f  153.732   62.785   49.199   59.633   49.199   59.633   0.0000   0.0000  153.732   62.785  ?   ?       ?      ? 
1 1 1   23   20    1 o  187.663   70.597   96.190   70.245   96.190   70.245   0.0000   0.0000  187.663   70.597  ?   ?       ?      ? 
1 1 1   23   20    2 o  231.361   73.051  259.027  140.848  154.977  213.572  339.111  187.369  205.269   97.623  257.453  108.699 -52.18356 146.1018 
1 1 1   23   20    3 o  155.568   53.447 -49.9470   98.081 -33.1675  163.696 -59.3447  122.506  165.375   80.346  145.760   70.505 19.61456 106.8945 
1 1 1   23   20    4 o  192.617   63.535  102.596  116.755   98.010  182.383  105.781  151.976  192.634   91.206  192.599   88.479 0.3511047E-01 127.0705 
1 1 1   23   20    5 o  175.821   50.566   74.777   62.899  126.050   74.188 -56.2951  118.618  207.624   73.379  144.017   69.593 63.60706 101.1316 
1 1 1   23   20    6 o  127.489   42.285 -22.8083   52.779 -15.4146   69.184 -33.1026   81.634  126.080   58.548  128.897   61.026 -2.817047 84.56957 
1 1 1   23   20    7 o  182.827   60.050   63.831   87.557  184.005  181.346   27.302   99.983  208.430   96.082  157.225   72.057 51.20499 120.0998 
1 1 1   23   20    8 o  173.015   56.696   53.172   93.517 -12.5562  145.298   99.655  122.189  160.681   77.491  185.349   82.782 -24.66789 113.3921 
1 1 1   23   21    0 o  228.803  114.714  713.661  441.278  713.661  441.278   0.0000   0.0000  228.803  114.714  ?   ?       ?      ? 
1 1 1   23   21    1 o  177.762   62.208   7.9182  147.953   31.251  289.862  -0.3026  172.053  186.364   93.369  169.161   82.228 17.20326 124.4161 
1 1 1   24    0    0 f  417.894   18.113  347.092   41.415  347.092   41.415  347.092   41.415  417.894   25.616  417.894   25.616 0.000000 0.000000 
1 1 1   24    0    1 o  142.320   24.341   46.215   16.572   46.215   16.572   46.215   16.572  142.320   34.423  142.320   34.423 0.000000 0.000000 
1 1 1   24    0    2 o   99.760   26.232   26.342   13.429   26.342   13.429   26.342   13.429   99.760   37.098   99.760   37.098 -0.000000 0.000000 
1 1 1   24    0    3 o  314.809   17.920  198.542   30.670  198.542   30.670  198.542   30.670  314.809   25.343  314.809   25.343 0.000000 0.000000 
1 1 1   24    0    4 o  348.020   27.261  248.939   50.717  248.939   50.717  248.939   50.717  348.020   38.553  348.020   38.553 0.000000 0.000000 
1 1 1   24    0    5 f  167.307   19.771   59.445   16.723   59.445   16.723   59.445   16.723  167.307   27.961  167.307   27.961 0.000000 0.000000 
1 1 1   24    0    6 o  236.775   18.261  114.150   23.142  114.150   23.142  114.150   23.142  236.775   25.826  236.775   25.826 0.000000 0.000000 
1 1 1   24    0    7 o   86.731   24.039   20.365   11.017   20.365   11.017   20.365   11.017   86.731   33.997   86.731   33.997 0.000000 0.000000 
1 1 1   24    0    8 o  429.552   17.834  367.066   41.945  367.066   41.945  367.066   41.945  429.552   25.221  429.552   25.221 -0.000000 0.000000 
1 1 1   24    0    9 o   85.323   24.459   20.031   11.277   20.031   11.277   20.031   11.277   85.323   34.590   85.323   34.590 0.000000 0.000000 
1 1 1   24    0   10 o  196.115   34.540   89.882   32.347   89.882   32.347   89.882   32.347  196.115   48.847  196.115   48.847 0.000000 0.000000 
1 1 1   24    0   11 o  174.842   73.273   99.131  122.499   99.131  122.499   99.131  122.499  174.842  103.623  174.842  103.623 0.000000 0.000000 
1 1 1   24    0   12 o  438.215   25.703  391.366   61.178  391.366   61.178  391.366   61.178  438.215   36.350  438.215   36.350 0.000000 0.000000 
1 1 1   24    0   13 o  448.721   25.385  410.015   61.938  410.015   61.938  410.015   61.938  448.721   35.900  448.721   35.900 0.000000 0.000000 
1 1 1   24    0   14 o  167.044   38.215   71.655   31.137   71.655   31.137   71.655   31.137  167.044   54.045  167.044   54.045 -0.000000 0.000000 
1 1 1   24    0   15 o  287.065   30.083  176.374   44.582  176.374   44.582  176.374   44.582  287.065   42.544  287.065   42.544 -0.000000 0.000000 
1 1 1   24    0   16 o  254.333   38.405  148.457   47.358  148.457   47.358  148.457   47.358  254.333   54.313  254.333   54.313 -0.000000 0.000000 
1 1 1   24    0   17 o  452.135   29.048  423.835   71.106  423.835   71.106  423.835   71.106  452.135   41.080  452.135   41.080 -0.000000 0.000000 
1 1 1   24    0   18 o  305.052   39.268  210.295   59.621  210.295   59.621  210.295   59.621  305.052   55.534  305.052   55.534 -0.000000 0.000000 
1 1 1   24    1    0 o  404.082   21.583  327.610   32.491  317.833   54.279  333.069   40.560  398.031   34.945  410.132   25.342 -12.10052 43.16638 
1 1 1   24    1    1 o  119.203   22.418   29.357   10.612   28.495   14.910   30.243   15.106  117.506   31.760  120.901   31.648 -3.395042 44.83565 
1 1 1   24    1    2 o  189.462   18.202   71.608   13.271   85.968   18.905   57.659   18.633  208.585   23.225  170.338   28.031 38.24696 36.40307 
1 1 1   24    1    3 f  205.368   17.486   83.470   14.011   81.653   19.606   85.366   20.031  203.083   24.738  207.652   24.720 -4.568573 34.97232 
1 1 1   24    1    4 o  247.773   20.854  115.505   18.758  141.299   34.716  104.868   22.293  265.457   33.512  230.090   24.828 35.36678 41.70720 
1 1 1   24    1    5 o  278.502   23.219  155.253   22.644  154.935   26.704  156.066   42.716  279.657   24.469  277.347   39.467 2.309784 46.43708 
1 1 1   24    1    6 o  216.229   16.851   92.610   14.216   92.581   19.908   92.641   20.307  216.226   23.594  216.232   24.066 -0.5676270E-02 33.70220 
1 1 1   24    1    7 o  161.871   19.996   53.445   12.265   59.004   17.053   47.488   17.654  172.347   25.356  151.396   30.926 20.95096 39.99152 
1 1 1   24    1    8 o  199.269   21.553   59.606   13.807   44.823   15.251  126.810   32.517  147.687   27.472  250.851   33.217 -103.1639 43.10576 
1 1 1   24    1    9 o  181.053   23.062   52.977   13.679   42.349   15.227   97.444   31.145  143.183   28.254  218.923   36.456 -75.74052 46.12325 
1 1 1   24    1   10 o  233.215   19.559   82.126   14.952   62.929   16.544  167.694   34.929  177.897   23.832  288.533   31.022 -110.6359 39.11895 
1 1 1   24    1   11 o  479.916   60.971  450.142   62.874  424.914   65.507  745.122  223.998  455.760   36.832  504.072  116.247 -48.31131 121.9422 
1 1 1   24    1   12 o  329.031   57.727  220.033   47.480  348.708  161.821  207.912   49.666  341.105  108.246  316.956   40.154 24.14917 115.4537 
1 1 1   24    1   13 o  392.205   55.412  295.183   48.632  277.226   50.736  498.395  170.675  368.006   35.328  416.403  105.042 -48.39700 110.8235 
1 1 1   24    1   14 o  209.565   31.149  100.897   24.593  124.197   31.697   65.655   38.983  246.923   32.895  172.207   52.904 74.71638 62.29699 
1 1 1   24    1   15 o  195.077   33.159   78.510   24.200   63.103   29.931  107.595   41.126  169.789   44.598  220.365   49.082 -50.57591 66.31738 
1 1 1   24    1   16 o  186.423   39.351   83.797   28.796   91.745   31.859   48.332   67.300  206.346   41.009  166.500   67.173 39.84625 78.70197 
1 1 1   24    1   17 o  301.051   37.312  188.411   43.835  188.411   43.835   0.0000   0.0000  301.051   37.312  ?   ?       ?      ? 
1 1 1   24    1   18 o  296.812   45.294  300.153   53.044  353.353   57.877   20.878  132.605  412.054   35.993  181.570   83.130 230.4837 90.58703 
1 1 1   24    2    0 o  360.211   21.625  263.195   29.092  242.133   47.593  275.759   36.759  347.271   35.119  373.151   25.244 -25.87939 43.25046 
1 1 1   24    2    1 o  115.305   21.295   27.478   9.9075   19.552   14.085   35.240   13.939   99.855   31.962  130.755   28.150 -30.89971 42.59082 
1 1 1   24    2    2 o  151.189   20.572   46.247   11.878   40.022   16.470   52.996   17.148  138.980   31.139  163.398   26.892 -24.41833 41.14390 
1 1 1   24    2    3 o  362.574   17.928  260.931   25.325  273.509   35.468  247.850   36.171  371.697   24.452  353.452   26.224 18.24573 35.85520 
1 1 1   24    2    4 o  243.801   22.578  117.390   20.374  123.906   35.233  114.117   24.972  247.901   36.420  239.702   26.697 8.199493 45.15680 
1 1 1   24    2    5 o  272.267   22.561  133.023   20.884  118.951   23.717  181.594   44.062  244.952   24.811  299.582   37.689 -54.63026 45.12264 
1 1 1   24    2    6 o  283.357   26.143  174.357   24.185  186.900   28.576  142.689   45.406  307.128   23.843  259.585   46.533 47.54294 52.28521 
1 1 1   24    2    7 o  207.688   22.466   61.695   14.793   43.964   16.267  146.429   35.561  145.803   29.601  269.573   33.804 -123.7701 44.93255 
1 1 1   24    2    8 o  385.576   22.460  297.382   31.044  294.985   37.159  302.921   56.486  385.273   24.715  385.879   37.511 -0.6057739 44.92077 
1 1 1   24    2    9 o  125.958   26.501   36.746   13.113   42.417   14.215   4.3529   33.973  143.735   26.313  108.181   46.009 35.55406 53.00156 
1 1 1   24    2   10 o  274.487   23.923  146.323   21.834  140.675   24.846  165.479   45.756  265.921   23.942  283.053   41.424 -17.13202 47.84527 
1 1 1   24    2   11 o  308.305   51.461  198.147   28.207  195.533   28.817  257.928  137.813  313.440   23.559  303.171  100.190 10.26895 102.9230 
1 1 1   24    2   12 o  157.310   29.469   32.649   13.687   24.149   14.605   93.966   39.225  108.226   32.199  206.394   49.365 -98.16815 58.93793 
1 1 1   24    2   13 o  143.102   40.123   30.994   19.445   31.574   19.996   20.902   83.432  123.214   37.896  162.990   70.734 -39.77621 80.24609 
1 1 1   24    2   14 o  140.913   33.927   41.141   20.040   44.633   22.186   25.666   46.708  144.353   38.626  137.474   55.786 6.878433 67.85305 
1 1 1   24    2   15 o  295.397   39.036  242.382   40.934  323.374   50.259   82.795   70.549  398.417   32.325  192.378   71.066 206.0381 78.07239 
1 1 1   24    2   16 o  177.102   37.018   79.437   27.024   91.557   28.663 -17.5612   81.085  211.026   34.806  143.179   65.344 67.84679 74.03578 
1 1 1   24    2   17 o  252.743   92.026  184.966  117.666  184.966  117.666   0.0000   0.0000  252.743   92.026  ?   ?       ?      ? 
1 1 1   24    2   18 o  261.539   47.494  201.346   41.719  214.247   43.970   84.959  132.066  321.220   35.077  201.857   88.274 119.3633 94.98761 
1 1 1   24    2   19 o  213.232   45.328  117.824   34.275  123.030   35.793   60.341  118.946  241.148   38.035  185.317   82.290 55.83105 90.65514 
1 1 1   24    3    0 o  404.203   21.858  329.248   32.987  314.993   54.620  337.433   41.388  395.840   35.359  412.566   25.707 -16.72638 43.71620 
1 1 1   24    3    1 o  466.035   22.686  433.288   39.392  438.157   66.486  430.654   48.900  466.357   36.533  465.713   26.906 0.6437683 45.37157 
1 1 1   24    3    2 o  158.414   20.798   50.556   12.551   43.421   17.131   58.823   18.441  144.791   31.236  172.036   27.468 -27.24529 41.59561 
1 1 1   24    3    3 o  319.180   18.016  201.061   22.360  191.209   30.119  213.158   33.375  310.637   24.846  327.723   26.096 -17.08575 36.03272 
1 1 1   24    3    4 o  391.817   26.368  304.792   39.932  269.988   52.276  353.549   61.874  365.681   36.633  417.953   37.936 -52.27200 52.73581 
1 1 1   24    3    5 o  413.650   23.071  344.000   34.141  344.983   40.915  341.746   61.952  416.958   25.145  410.342   38.688 6.616394 46.14155 
1 1 1   24    3    6 o  258.326   30.536  162.126   24.061  184.102   27.919   98.703   47.431  304.824   23.471  211.828   56.383 92.99542 61.07281 
1 1 1   24    3    7 o  293.447   29.605  207.177   26.927  243.723   32.214  122.439   49.053  350.575   23.547  236.319   54.327 114.2553 59.21072 
1 1 1   24    3    8 o  255.786   28.514  135.972   21.905  135.996   24.515  135.880   48.784  261.670   24.007  249.902   51.728 11.76807 57.02715 
1 1 1   24    3    9 o  156.145   31.036   42.399   13.580   39.910   14.321   64.578   42.759  139.040   27.369  173.251   55.713 -34.21094 62.07270 
1 1 1   24    3   10 f  304.536   29.168  195.678   26.270  197.151   29.355  189.757   58.872  314.749   23.899  294.323   53.216 20.42599 58.33602 
1 1 1   24    3   11 o  140.899   36.093   36.647   12.917   38.249   13.046 -43.1599   92.076  136.332   25.457  145.466   67.548 -9.134552 72.18610 
1 1 1   24    3   12 o  223.889   34.373  136.915   22.739  150.260   24.641   60.331   59.028  274.721   22.984  173.056   64.791 101.6651 68.74664 
1 1 1   24    3   13 o  167.385   38.904   60.367   20.966   63.306   21.652   16.161   83.977  173.776   33.138  160.995   70.398 12.78148 77.80736 
1 1 1   24    3   14 o  118.336   31.960   23.652   13.596   25.422   14.050  -2.4452   53.939  110.392   31.220  126.281   55.776 -15.88984 63.91924 
1 1 1   24    3   15 o  193.197   35.580   82.664   24.270   83.042   27.641   81.393   50.717  197.818   37.170  188.576   60.680 9.242081 71.15997 
1 1 1   24    3   16 o  364.802   54.979  345.108   50.688  348.681   53.826  317.122  150.652  412.477   33.440  317.127  104.751 95.34998 109.9590 
1 1 1   24    3   17 o  427.152   61.676  566.221   68.437  590.648   73.058  391.238  195.534  534.530   35.024  319.775  118.275 214.7549 123.3517 
1 1 1   24    3   18 o  338.280   34.581  237.532   45.650  237.532   45.650   0.0000   0.0000  338.280   34.581  ?   ?       ?      ? 
1 1 1   24    3   19 o  278.284   47.820  245.163   44.297  261.501   46.727  100.206  139.181  354.248   33.801  202.320   89.467 151.9279 95.63914 
1 1 1   24    3   20 o  235.679   35.296  117.103   32.462  117.103   32.462   0.0000   0.0000  235.679   35.296  ?   ?       ?      ? 
1 1 1   24    3   21 o  246.438   35.734  128.810   34.366  128.810   34.366   0.0000   0.0000  246.438   35.734  ?   ?       ?      ? 
1 1 1   24    3   22 o  357.426   35.903  271.640   50.078  271.640   50.078   0.0000   0.0000  357.426   35.903  ?   ?       ?      ? 
1 1 1   24    4    0 o   96.133   21.910   17.998   9.4502   14.245   13.728   21.378   13.029   89.620   31.576  102.647   30.384 -13.02721 43.82030 
1 1 1   24    4    1 o  228.860   22.607  101.062   19.590  120.616   32.838   90.258   24.410  244.974   34.350  212.746   29.401 32.22768 45.21457 
1 1 1   24    4    2 o  359.980   22.994  236.072   28.348  213.249   32.362  311.324   58.765  327.901   25.291  392.059   38.410 -64.15869 45.98829 
1 1 1   24    4    3 o  364.780   22.895  235.805   28.214  208.873   31.904  332.466   60.441  324.487   25.195  405.074   38.235 -80.58725 45.78987 
1 1 1   24    4    4 o  277.636   49.778  164.359   51.951   0.0000   0.0000  164.359   51.951  ?   ?   277.636   49.778      ?      ? 
1 1 1   24    4    5 o  326.590   24.909  209.482   27.194  204.064   31.104  227.063   56.027  320.628   24.859  332.552   43.173 -11.92429 49.81786 
1 1 1   24    4    6 o  287.920   26.257  152.077   23.358  142.600   25.726  196.568   55.740  267.979   24.601  307.861   46.396 -39.88144 52.51477 
1 1 1   24    4    7 o  433.483   27.986  419.751   40.300  465.572   47.884  308.479   74.620  483.722   25.367  383.243   49.894 100.4792 55.97223 
1 1 1   24    4    8 o  426.453   26.316  361.073   36.724  353.065   41.667  388.941   77.729  421.028   25.360  431.878   46.120 -10.84967 52.63271 
1 1 1   24    4    9 f  240.839   34.794  130.210   22.188  132.520   23.836  115.210   60.734  258.157   23.660  223.521   65.441 34.63536 69.58730 
1 1 1   24    4   10 o  298.489   31.646  173.007   25.113  166.819   27.039  211.857   67.750  289.433   23.940  307.544   58.591 -18.11081 63.29264 
1 1 1   24    4   11 f  314.051   50.680  272.420   33.620  278.591   34.639  172.212  139.594  373.912   23.739  254.191   98.541 119.7217 101.3598 
1 1 1   24    4   12 o  152.003   33.455   45.576   13.727   46.460   14.098   29.467   60.189  152.639   23.669  151.368   62.584 1.270020 66.91003 
1 1 1   24    4   13 o  344.157   50.410  389.420   40.615  409.791   42.214  135.804  148.948  453.078   23.876  235.236   97.952 217.8424 100.8196 
1 1 1   24    4   14 o  103.284   26.235   20.515   14.225   30.573   14.956 -74.8458   46.049  120.510   31.463   86.058   41.989 34.45193 52.46947 
1 1 1   24    4   15 o  129.525   57.191  -0.6483   56.667   0.0000   0.0000  -0.6483   56.667  ?   ?   129.525   57.191      ?      ? 
1 1 1   24    4   16 o  369.778   54.607  365.762   39.671  369.419   41.030  313.291  155.425  429.230   24.495  310.326  106.431 118.9047 109.2135 
1 1 1   24    4   17 o  283.892   51.625  132.521   30.101  122.604   30.885  320.502  134.469  244.356   32.388  323.427   98.039 -79.07097 103.2509 
1 1 1   24    4   18 o  195.463   41.954  100.400   28.226  107.078   28.898 -38.3519  131.718  227.696   32.522  163.230   77.349 64.46666 83.90751 
1 1 1   24    4   20 o  123.900   34.828   33.345   17.541   33.345   17.541   0.0000   0.0000  123.900   34.828  ?   ?       ?      ? 
1 1 1   24    4   21 o   76.267   28.859   9.2360   11.779   9.2360   11.779   0.0000   0.0000   76.267   28.859  ?   ?       ?      ? 
1 1 1   24    4   22 o  111.298   34.250   26.488   16.331   26.488   16.331   0.0000   0.0000  111.298   34.250  ?   ?       ?      ? 
1 1 1   24    4   23 o  401.234   35.821  343.177   56.088  343.177   56.088   0.0000   0.0000  401.234   35.821  ?   ?       ?      ? 
1 1 1   24    4   24 o  128.420   35.110   36.385   18.100   36.385   18.100   0.0000   0.0000  128.420   35.110  ?   ?       ?      ? 
1 1 1   24    5    0 o  172.975   42.310   53.705   17.686   55.111   17.906  -2.6515  113.340  166.376   27.578  179.574   80.000 -13.19806 84.61986 
1 1 1   24    5    1 o  172.556   32.499   51.033   16.510   46.267   17.682   83.453   46.120  149.383   31.332  195.729   56.948 -46.34575 64.99827 
1 1 1   24    5    2 o  455.157   27.349  363.845   45.160  251.399   53.767  633.165   83.211  351.659   39.180  558.655   38.168 -206.9959 54.69802 
1 1 1   24    5    3 o  379.683   26.353  301.986   33.407  312.518   38.816  271.898   65.606  396.755   25.070  362.611   46.363 34.14444 52.70681 
1 1 1   24    5    4 o  204.884   29.072   37.452   15.328   25.085   15.956  185.176   55.147  111.114   33.792  298.654   47.317 -187.5403 58.14486 
1 1 1   24    5    5 o  186.250   37.583   69.790   23.357   67.802   25.508   80.112   58.117  179.631   37.595  192.869   65.088 -13.23804 75.16570 
1 1 1   24    5    6 o  190.345   33.973   40.952   15.386   33.182   15.949  145.119   58.398  126.033   32.284  254.658   59.787 -128.6249 67.94644 
1 1 1   24    5    7 o  232.475   35.560   79.711   19.103   72.108   19.862  173.486   69.756  190.056   26.780  274.893   65.885 -84.83702 71.11971 
1 1 1   24    5    8 o  276.981   41.490  214.139   30.163  228.921   32.109  103.196   87.967  339.166   24.260  214.795   79.354 124.3707 82.97914 
1 1 1   24    5    9 o  143.050   36.501   32.118   13.552   31.989   13.823   35.278   68.664  123.811   29.102  162.289   66.950 -38.47853 73.00177 
1 1 1   24    5   10 o  185.148   34.724   87.137   19.501   92.888   20.383   24.963   67.017  215.853   24.198  154.442   65.097 61.41089 69.44855 
1 1 1   24    5   11 o  345.724   52.422  265.585   33.385  262.942   34.314  312.431  144.486  362.997   24.223  328.451  102.008 34.54559 104.8449 
1 1 1   24    5   12 o  283.510   47.538  216.620   29.483  221.411   30.357  136.915  123.813  333.243   23.343  233.777   92.166 99.46626 95.07619 
1 1 1   24    5   13 o  138.627   29.686   46.405   13.847   50.996   14.201 -42.2715   62.412  159.974   22.747  117.280   54.841 42.69460 59.37194 
1 1 1   24    5   15 o  222.243   80.790  125.004   90.633   0.0000   0.0000  125.004   90.633  ?   ?   222.243   80.790      ?      ? 
1 1 1   24    5   16 o  202.792   79.634   97.072   92.088   0.0000   0.0000   97.072   92.088  ?   ?   202.792   79.634      ?      ? 
1 1 1   24    5   17 o  550.948   26.833  614.393   57.691  614.393   57.691   0.0000   0.0000  550.948   26.833  ?   ?       ?      ? 
1 1 1   24    5   18 o  127.131   38.644   23.825   14.721   25.679   14.820 -112.9767  127.292  110.177   32.347  144.084   70.194 -33.90772 77.28816 
1 1 1   24    5   19 o  135.305   37.546   34.502   17.801   37.340   18.086 -53.4134  100.672  131.062   34.785  139.548   66.550 -8.485901 75.09241 
1 1 1   24    5   20 o  230.321   44.095  158.209   34.897  166.882   36.233   47.054  129.719  282.400   32.878  178.242   81.831 104.1580 88.18925 
1 1 1   24    5   21 f  212.104   33.097   94.433   27.395   94.433   27.395   0.0000   0.0000  212.104   33.097  ?   ?       ?      ? 
1 1 1   24    5   22 o   93.419   31.281   17.563   13.422   17.563   13.422   0.0000   0.0000   93.419   31.281  ?   ?       ?      ? 
1 1 1   24    5   23 o  265.353   33.275  148.510   34.457  148.510   34.457   0.0000   0.0000  265.353   33.275  ?   ?       ?      ? 
1 1 1   24    5   24 o  225.473   33.058  107.601   29.087  107.601   29.087   0.0000   0.0000  225.473   33.058  ?   ?       ?      ? 
1 1 1   24    6    0 o  424.166   58.819  404.803   44.074  402.388   45.335  446.401  188.172  449.842   25.825  398.489  114.769 51.35312 117.6382 
1 1 1   24    6    1 o  616.411   26.446  728.454   55.987  684.128   64.448  864.801  113.032  585.465   28.208  647.357   44.743 -61.89154 52.89262 
1 1 1   24    6    2 o  316.355   28.992  169.959   25.958  156.118   27.850  261.579   71.653  280.229   25.467  352.482   52.091 -72.25320 57.98335 
1 1 1   24    6    3 o  223.657   40.756   96.950   30.747   85.395   34.565  140.768   67.308  199.588   45.402  247.727   67.697 -48.13881 81.51190 
1 1 1   24    6    4 o  362.885   25.610  174.740   25.690  144.228   27.176  431.091   78.771  269.144   25.874  456.627   44.205 -187.4835 51.22052 
1 1 1   24    6    5 o  151.445   36.629   47.360   21.482   51.876   22.789   11.365   64.337  156.600   37.736  146.290   62.791 10.31038 73.25816 
1 1 1   24    6    6 o  316.648   35.850  186.625   27.872  178.190   29.526  255.648   84.457  299.086   25.297  334.209   67.089 -35.12250 71.69953 
1 1 1   24    6    7 o  506.151   35.774  595.969   53.615  635.529   60.507  451.393  115.672  563.495   27.516  448.806   66.045 114.6888 71.54716 
1 1 1   24    6    8 o  231.616   39.520  125.809   23.836  128.557   25.051   99.514   77.482  253.818   25.291  209.414   74.885 44.40382 79.04033 
1 1 1   24    6    9 o  262.005   42.942  174.219   27.382  179.224   28.611  119.667   94.453  299.775   24.457  224.235   82.328 75.53966 85.88381 
1 1 1   24    6   10 o  181.667   34.142   88.507   20.363   96.590   21.257  -1.6128   70.977  219.913   24.769  143.422   63.633 76.49013 68.28365 
1 1 1   24    6   11 o  261.804   38.645  210.093   29.126  232.321   31.210   60.156   81.058  341.355   23.429  182.254   73.653 159.1005 77.28972 
1 1 1   24    6   12 o  206.862   38.468  121.024   22.242  127.766   22.781 -16.3845  102.844  253.162   23.059  160.562   73.399 92.60034 76.93594 
1 1 1   24    6   13 o  369.082   54.049  399.846   41.850  411.605   43.466  250.462  154.922  453.602   24.555  284.562  105.273 169.0408 108.0985 
1 1 1   24    6   14 o  185.073   72.530   70.899   76.258   0.0000   0.0000   70.899   76.258  ?   ?   185.073   72.530      ?      ? 
1 1 1   24    6   15 o  129.672   35.148   28.735   15.368   30.258   15.773   0.2295   68.232  119.620   32.806  139.725   62.172 -20.10458 70.29623 
1 1 1   24    6   16 o  133.309   60.716 -14.6046   69.556   0.0000   0.0000 -14.6046   69.556  ?   ?   133.309   60.716      ?      ? 
1 1 1   24    6   17 o  135.421   24.381   37.964   12.411   37.964   12.411   0.0000   0.0000  135.421   24.381  ?   ?       ?      ? 
1 1 1   24    6   18 o  179.374   45.530   64.189   21.708   64.570   21.987   49.478  136.512  173.609   33.669  185.139   84.607 -11.53064 91.06023 
1 1 1   24    6   19 o  157.347   71.514   16.341   95.859   0.0000   0.0000   16.341   95.859  ?   ?   157.347   71.514      ?      ? 
1 1 1   24    6   20 o  103.332   37.243   2.2359   8.9884   2.4938   9.0176 -37.4196  111.817   58.752   24.252  147.913   70.428 -89.16078 74.48663 
1 1 1   24    6   21 o  386.359   35.327  316.564   53.263  316.564   53.263   0.0000   0.0000  386.359   35.327  ?   ?       ?      ? 
1 1 1   24    6   22 o  452.609   36.925  438.556   65.219  438.556   65.219   0.0000   0.0000  452.609   36.925  ?   ?       ?      ? 
1 1 1   24    6   23 o  304.447   33.813  196.268   40.172  196.268   40.172   0.0000   0.0000  304.447   33.813  ?   ?       ?      ? 
1 1 1   24    6   24 o   58.886   24.004   3.1785   8.6960   3.1785   8.6960   0.0000   0.0000   58.886   24.004  ?   ?       ?      ? 
1 1 1   24    7    0 o  733.661   28.259  947.262   67.077  840.533   74.489  1404.92  154.249  647.706   29.470  819.616   48.226 -171.9098 56.51748 
1 1 1   24    7    1 o  141.215   39.078   32.676   16.046   34.745   16.251 -47.8216  101.365  128.906   32.356  153.525   71.143 -24.61888 78.15546 
1 1 1   24    7    2 o  317.233   37.082  219.465   30.861  221.105   33.441  210.047   80.128  333.189   25.719  301.277   69.561 31.91138 74.16311 
1 1 1   24    7    3 o  381.427   30.894  244.699   31.856  225.504   33.887  390.587   93.423  336.397   25.814  426.458   56.137 -90.06146 61.78733 
1 1 1   24    7    4 o  401.458  123.349  501.981  211.910   0.0000   0.0000  501.981  211.910  ?   ?   401.458  123.349      ?      ? 
1 1 1   24    7    5 o  409.394   35.853  345.486   39.346  341.844   42.409  368.003  105.453  413.789   26.263  404.999   66.723 8.790222 71.70547 
1 1 1   24    7    6 o  567.985   58.089  703.334  128.755   0.0000   0.0000  703.334  128.755  ?   ?   567.985   58.089      ?      ? 
1 1 1   24    7    7 o  233.169   40.002   80.345   19.985   74.002   20.594  182.858   82.789  192.158   27.463  274.181   75.143 -82.02391 80.00443 
1 1 1   24    7    8 f  344.626   38.294  248.525   32.425  244.971   34.611  274.035   92.720  350.166   25.328  339.087   72.279 11.07834 76.58836 
1 1 1   24    7    9 o  160.447   34.499   59.201   17.147   62.965   17.633  -6.1658   73.483  177.433   25.467  143.461   64.126 33.97174 68.99811 
1 1 1   24    7   10 o  241.857   47.821   95.797   21.375   92.229   21.746  197.741  116.248  214.556   25.972  269.158   92.048 -54.60216 95.64208 
1 1 1   24    7   11 o  205.833   25.024   84.773   20.100   84.773   20.100   0.0000   0.0000  205.833   25.024  ?   ?       ?      ? 
1 1 1   24    7   12 o  152.253   38.444   34.471   13.730   33.640   13.965   58.558   75.200  126.735   28.881  177.771   71.257 -51.03558 76.88760 
1 1 1   24    7   13 o  364.965   52.191  427.096   43.355  448.248   45.277  193.734  150.391  473.204   24.519  256.727  101.462 216.4774 104.3825 
1 1 1   24    7   14 o  185.626   36.992   91.481   28.154  105.812   29.966 -16.3808   82.210  227.063   33.818  144.189   65.801 82.87392 73.98304 
1 1 1   24    7   15 o  233.270   41.999  146.405   24.340  150.797   25.060   73.271  102.262  274.387   23.404  192.153   80.671 82.23415 83.99747 
1 1 1   24    7   16 o  185.741   37.130   95.106   19.851  100.204   20.164 -65.4839  113.166  223.495   23.119  147.987   70.570 75.50755 74.26079 
1 1 1   24    7   17 o  100.938   26.352   21.432   10.492   21.432   10.492   0.0000   0.0000  100.938   26.352  ?   ?       ?      ? 
1 1 1   24    7   18 o  145.444   40.287   32.587   11.676   32.805   11.735   10.904  116.908  125.242   24.887  165.646   76.634 -40.40374 80.57395 
1 1 1   24    7   19 o  242.319   38.256  211.479   28.978  225.530   29.668 -79.9164  135.107  334.239   22.746  150.399   73.053 183.8395 76.51180 
1 1 1   24    7   20 o  186.033   41.138   89.841   24.785   94.046   25.192 -37.1867  138.461  212.884   30.324  159.182   76.483 53.70114 82.27503 
1 1 1   24    7   23 o  190.145   82.238  106.868  112.007  106.868  112.007   0.0000   0.0000  190.145   82.238  ?   ?       ?      ? 
1 1 1   24    8    0 o  257.935   33.596   49.673   18.371   36.586   18.812  318.827   85.311  131.905   35.683  383.966   56.935 -252.0613 67.19253 
1 1 1   24    8    1 o  621.822   64.670  682.007   62.246  655.677   63.469  1345.37  318.575  571.983   28.434  671.661  126.176 -99.67804 129.3402 
1 1 1   24    8    2 o  366.661   26.135  268.394   37.396  268.394   37.396   0.0000   0.0000  366.661   26.135  ?   ?       ?      ? 
1 1 1   24    8    3 o  246.190   40.482  176.458   29.225  190.870   30.794   45.709   92.750  309.320   25.511  183.060   76.839 126.2600 80.96346 
1 1 1   24    8    4 o  552.065   32.629  626.684   54.853  619.307   60.924  658.263  126.054  555.736   28.092  548.394   58.902 7.341675 65.25822 
1 1 1   24    8    5 o  427.551   63.850  408.936  106.532   0.0000   0.0000  408.936  106.532  ?   ?   427.551   63.850      ?      ? 
1 1 1   24    8    6 o  178.272   73.357   49.809   82.174   0.0000   0.0000   49.809   82.174  ?   ?   178.272   73.357      ?      ? 
1 1 1   24    8    7 o  263.266   37.568   73.535   22.794   57.314   23.588  302.437   88.606  164.022   37.648  362.510   65.023 -198.4886 75.13621 
1 1 1   24    8    8 o  182.382   38.124   75.708   19.537   78.456   20.089   27.682   83.972  197.929   26.008  166.835   71.676 31.09415 76.24886 
1 1 1   24    8    9 o  277.052   49.030  179.422   27.956  179.590   28.664  176.130  126.607  299.808   24.499  254.296   94.951 45.51146 98.06041 
1 1 1   24    8   10 o  293.524   50.512  211.458   30.357  212.456   31.152  192.631  135.272  326.016   24.485  261.032   98.012 64.98373 101.0242 
1 1 1   24    8   11 o  129.078   34.329   30.054   13.387   32.082   13.587 -37.4434   78.378  123.768   28.690  134.388   62.375 -10.61980 68.65711 
1 1 1   24    8   12 o  438.377   25.622  385.567   43.832  385.567   43.832   0.0000   0.0000  438.377   25.622  ?   ?       ?      ? 
1 1 1   24    8   13 o  236.110   25.491  111.957   23.487  111.957   23.487   0.0000   0.0000  236.110   25.491  ?   ?       ?      ? 
1 1 1   24    8   14 o  145.268   35.335   44.705   16.215   47.560   16.549 -23.8774   81.113  150.783   29.180  139.755   64.364 11.02808 70.66934 
1 1 1   24    8   15 o  275.977   46.762  216.520   30.409  222.013   31.357  129.781  124.605  332.349   24.178  219.604   90.344 112.7451 93.52320 
1 1 1   24    8   16 o  198.487   43.020   94.745   19.827   96.461   20.032   11.964  139.129  218.959   23.444  178.015   82.786 40.94324 86.04095 
1 1 1   24    8   17 o  165.368   76.350   9.8202  115.170   9.8202  115.170   0.0000   0.0000  165.368   76.350  ?   ?       ?      ? 
1 1 1   24    8   18 o  193.781   55.437  101.919   66.525  122.560   79.048   51.807  123.165  208.787   75.518  178.774   81.180 30.01262 110.8744 
1 1 1   24    8   19 o  126.473   40.102   12.492   14.248   11.454   14.425   53.855   91.068   84.106   31.910  168.841   73.583 -84.73491 80.20402 
1 1 1   24    8   20 o  156.347   48.705   37.326   54.765   55.188   60.944 -37.6115  124.827  159.373   64.054  153.322   73.388 6.051468 97.41032 
1 1 1   24    8   21 o  327.395   81.546  315.902  103.795  315.902  103.795   0.0000   0.0000  327.395   81.546  ?   ?       ?      ? 
1 1 1   24    8   22 o  227.646   95.636  208.756  143.876  208.756  143.876   0.0000   0.0000  227.646   95.636  ?   ?       ?      ? 
1 1 1   24    8   23 o  158.016   73.443   21.196  109.251   21.196  109.251   0.0000   0.0000  158.016   73.443  ?   ?       ?      ? 
1 1 1   24    9    0 o  441.976   33.288  350.936   39.261  330.167   41.823  505.096  113.943  406.294   26.378  477.659   61.127 -71.36429 66.57600 
1 1 1   24    9    1 o  231.381   41.666  122.482   23.892  123.978   24.822  103.625   88.130  249.154   25.529  213.609   79.325 35.54549 83.33202 
1 1 1   24    9    2 o  274.095   50.255  174.253   29.164  174.664   29.872  165.892  134.739  295.605   25.895  252.585   97.117 43.02019 100.5099 
1 1 1   24    9    3 o  436.969   55.600  330.886   40.812  316.789   41.728  641.565  195.894  397.671   26.889  476.268  107.899 -78.59750 111.1991 
1 1 1   24    9    4 o  541.792   32.546  539.298   50.550  504.549   54.608  747.375  133.626  501.248   27.917  582.337   58.801 -81.08908 65.09151 
1 1 1   24    9    5 o  454.835   37.895  447.454   46.490  448.064   50.384  443.955  120.597  472.521   27.324  437.148   70.693 35.37338 75.78982 
1 1 1   24    9    6 o  186.163   39.813   69.076   19.631   69.242   20.219   66.347   82.021  185.586   27.917  186.741   74.572 -1.154816 79.62647 
1 1 1   24    9    7 o  302.243  104.814  275.138  150.941   0.0000   0.0000  275.138  150.941  ?   ?   302.243  104.814      ?      ? 
1 1 1   24    9    8 o  262.504   49.633  114.647   29.278  106.509   30.183  244.288  120.465  228.405   33.863  296.604   93.312 -68.19930 99.26694 
1 1 1   24    9    9 o  203.392   44.403   86.962   21.202   87.768   21.558   63.153  117.156  209.113   26.418  197.670   84.785 11.44281 88.80592 
1 1 1   24    9   10 o  258.467   45.400  190.130   29.918  197.379   30.822   71.915  124.462  313.909   25.161  203.024   87.244 110.8848 90.79967 
1 1 1   24    9   11 o  184.551   36.979   90.839   21.824   97.664   22.386 -40.0945   98.053  220.517   26.014  148.585   69.232 71.93263 73.95798 
1 1 1   24    9   12 o  160.011   36.224   53.714   16.453   55.593   16.826   12.670   78.632  166.289   25.928  153.734   67.648 12.55505 72.44711 
1 1 1   24    9   13 o  219.390   40.720  131.050   24.398  136.560   25.136   41.437  101.378  260.779   24.700  178.002   77.604 82.77771 81.44013 
1 1 1   24    9   15 o  213.835   46.193  102.734   37.420  102.734   37.420   0.0000   0.0000  213.835   46.193  ?   ?       ?      ? 
1 1 1   24    9   16 o  228.276   43.669  116.048   37.484  116.048   37.484   0.0000   0.0000  228.276   43.669  ?   ?       ?      ? 
1 1 1   24    9   17 o  159.320   44.685   57.825   28.907   57.825   28.907   0.0000   0.0000  159.320   44.685  ?   ?       ?      ? 
1 1 1   24    9   18 o  163.279   41.118   63.566   26.966   68.820   27.907 -10.4138  104.716  174.811   41.524  151.748   70.984 23.06342 82.23693 
1 1 1   24    9   19 o  165.090   50.128   53.134   57.487   62.215   71.732   36.827   96.117  167.051   68.615  163.129   73.099 3.922623 100.2565 
1 1 1   24    9   20 o  284.943   49.896  264.337   46.040  274.794   48.125  151.419  158.140  360.686   34.191  209.199   93.751 151.4874 99.79131 
1 1 1   24    9   21 o  187.272   37.279   77.343   26.286   77.343   26.286   0.0000   0.0000  187.272   37.279  ?   ?       ?      ? 
1 1 1   24    9   22 o   76.629   30.788   7.0748   14.075   7.0748   14.075   0.0000   0.0000   76.629   30.788  ?   ?       ?      ? 
1 1 1   24   10    0 o  174.322   41.403   56.156   19.284   56.140   19.748   56.494   89.550  163.870   32.029  184.774   76.362 -20.90436 82.80646 
1 1 1   24   10    1 o  170.179   41.439   51.217   19.287   50.802   19.778   59.275   87.052  155.266   33.616  185.092   75.755 -29.82578 82.87878 
1 1 1   24   10    2 o  520.034   36.064  579.632   54.297  579.916   59.748  578.288  130.115  536.775   28.523  503.294   66.248 33.48154 72.12769 
1 1 1   24   10    3 f  378.638   26.179  287.229   38.681  287.229   38.681   0.0000   0.0000  378.638   26.179  ?   ?       ?      ? 
1 1 1   24   10    4 o  334.671   52.756  330.859   40.941  342.190   42.474  182.337  153.773  413.151   26.344  256.191  102.170 156.9596 105.5111 
1 1 1   24   10    5 f  169.129   38.726   62.632   19.170   65.867   19.517 -26.0074  102.153  180.989   27.633  157.269   72.356 23.71989 77.45293 
1 1 1   24   10    6 o  233.380   47.259   88.125   22.441   83.940   22.913  186.706  111.208  204.020   28.779  262.740   90.030 -58.72041 94.51758 
1 1 1   24   10    7 o  398.340   57.305  358.609   43.013  353.181   44.370  443.299  175.266  419.177   27.124  377.503  111.355 41.67441 114.6106 
1 1 1   24   10    8 o  149.193   35.796   52.129   20.926   60.068   21.354 -139.5444  104.925  168.893   33.583  129.493   63.226 39.39954 71.59157 
1 1 1   24   10    9 o  246.797   94.051  167.408  125.664   0.0000   0.0000  167.408  125.664  ?   ?   246.797   94.051      ?      ? 
1 1 1   24   10   10 o  250.022   44.030  177.356   29.106  184.810   30.070   66.615  115.903  303.486   25.390  196.558   84.320 106.9286 88.05990 
1 1 1   24   10   11 o  241.494   42.347  172.061   44.941  212.277   50.008   3.1992  102.471  318.224   40.269  164.765   74.508 153.4588 84.69357 
1 1 1   24   10   12 o  204.404   36.630  117.906   38.072  162.485   42.465 -64.7237   85.951  278.475   39.076  130.334   61.969 148.1415 73.26068 
1 1 1   24   10   13 o  291.901   48.876  261.660   50.745  288.840   55.200  113.375  128.935  371.071   38.120  212.730   90.012 158.3411 97.75148 
1 1 1   24   10   14 o  148.950   50.427 -37.8222   67.859 -52.1774  151.600 -34.2253   75.885  168.362   80.663  129.537   60.540 38.82466 100.8550 
1 1 1   24   10   15 o  170.159   46.362   66.059   36.609   73.839   38.221 -20.3825  127.397  177.468   51.902  162.850   76.836 14.61839 92.72319 
1 1 1   24   10   16 o  143.279   46.732 -21.2888   30.669 -33.2994   31.887  126.998  112.041   79.043   37.629  207.515   85.554 -128.4721 93.46369 
1 1 1   24   10   17 o  205.178   50.396   99.327   40.058   99.327   40.058   0.0000   0.0000  205.178   50.396  ?   ?       ?      ? 
1 1 1   24   10   18 o  183.656   49.781   79.835   36.571   79.835   36.571   0.0000   0.0000  183.656   49.781  ?   ?       ?      ? 
1 1 1   24   10   19 o  208.076   45.850   99.623   36.226   99.623   36.226   0.0000   0.0000  208.076   45.850  ?   ?       ?      ? 
1 1 1   24   10   20 o  155.624   50.854  -2.7527   60.913 -35.7699   70.029   99.867  123.460  120.499   56.889  190.749   84.311 -70.25020 101.7086 
1 1 1   24   10   21 o  174.212   73.292   75.402   84.698   75.402   84.698   0.0000   0.0000  174.212   73.292  ?   ?       ?      ? 
1 1 1   24   11    0 o  166.800   42.801   54.785   20.155   57.325   20.393 -52.1213  132.319  165.260   32.779  168.341   79.078 -3.081436 85.60287 
1 1 1   24   11    1 o  162.120   46.749   34.784   16.683   34.728   16.811   38.395  135.309  128.206   33.302  196.033   87.365 -67.82753 93.49722 
1 1 1   24   11    2 o  173.974   41.402   53.993   19.436   53.127   19.963   69.759   85.145  158.790   33.280  189.157   75.822 -30.36694 82.80459 
1 1 1   24   11    3 o  312.890   40.510  167.071   29.542  154.497   30.915  299.331  100.265  276.814   28.619  348.966   75.796 -72.15225 81.01917 
1 1 1   24   11    4 o  299.400   51.436  211.734   33.016  211.294   34.024  218.839  136.672  324.306   26.884  274.493   99.297 49.81277 102.8721 
1 1 1   24   11    5 o  276.918   46.199  237.673   36.738  252.581   38.182   51.680  134.865  354.245   27.620  199.591   88.174 154.6540 92.39883 
1 1 1   24   11    6 o  139.457   38.319   33.753   16.434   35.948   16.668 -42.7800   98.427  130.358   32.795  148.557   69.268 -18.19926 76.63868 
1 1 1   24   11    7 o  131.883   38.161   26.290   13.572   27.699   13.687 -56.6744  105.053  114.852   30.154  148.913   70.112 -34.06193 76.32117 
1 1 1   24   11    8 o  187.987   48.765   81.513   47.586  100.892   53.918   13.243  101.201  207.220   61.917  168.754   75.356 38.46584 97.53094 
1 1 1   24   11    9 o  196.141   44.831   95.030   46.560  137.635   54.698 -17.0499   88.717  243.449   58.338  148.833   68.088 94.61620 89.66149 
1 1 1   24   11   10 o  197.686   62.909   43.222   80.596  135.724  188.484   22.525   89.158  231.328  103.102  164.044   72.113 67.28368 125.8189 
1 1 1   24   11   11 o  156.583   45.047   41.957   42.783   54.858   51.405   12.880   77.173  161.922   60.494  151.243   66.763 10.67891 90.09348 
1 1 1   24   11   12 o  305.056   54.804  265.233   61.050  279.049   68.096  208.643  137.813  356.227   48.985  253.884   98.053 102.3430 109.6075 
1 1 1   24   11   13 o  153.569   40.466   43.012   40.486   86.329   45.988 -106.2222   85.359  189.952   57.279  117.186   57.175 72.76669 80.93153 
1 1 1   24   11   14 o  230.844   49.581  160.162   51.756  181.109   56.704   55.593  126.693  277.860   54.241  183.827   83.013 94.03291 99.16267 
1 1 1   24   11   15 o  284.499   52.577  263.903   57.628  280.444   61.394  141.345  167.121  357.309   44.030  211.688   95.492 145.6205 105.1537 
1 1 1   24   11   16 o  290.795   51.593  285.454   59.020  308.587   63.377  134.355  161.975  374.590   43.355  207.001   93.635 167.5896 103.1852 
1 1 1   24   11   17 f  129.682   53.825   24.950   44.768   24.950   44.768   0.0000   0.0000  129.682   53.825  ?   ?       ?      ? 
1 1 1   24   11   18 o  225.865   49.155  162.948   52.870  184.869   56.967   26.782  141.980  277.679   54.517  174.050   81.810 103.6288 98.31039 
1 1 1   24   11   19 o  231.835   56.830  155.122   53.776  150.461   57.265  189.910  156.445  243.443   60.534  220.227   96.198 23.21498 113.6591 
1 1 1   24   11   20 o  207.914   48.168  134.966   47.360  149.413   49.500 -21.3506  162.823  249.255   52.545  166.574   80.744 82.68098 96.33604 
1 1 1   24   11   21 o  176.162   53.667   69.501   44.856   69.038   45.979   78.635  204.241  165.786   57.829  186.537   90.424 -20.75085 107.3342 
1 1 1   24   12    0 o  152.180   36.177   52.148   19.720   57.380   20.285 -37.9837   84.192  165.271   32.609  139.089   64.589 26.18167 72.35370 
1 1 1   24   12    1 o  193.212   43.374   45.793   18.081   40.802   18.481  157.477   87.422  138.589   34.346  247.834   79.659 -109.2454 86.74795 
1 1 1   24   12    2 o  227.474   29.019  104.546   25.760  104.546   25.760   0.0000   0.0000  227.474   29.019  ?   ?       ?      ? 
1 1 1   24   12    3 o  195.547   45.929   68.544   21.050   67.848   21.396   89.511  117.433  183.021   29.957  208.072   86.836 -25.05127 91.85779 
1 1 1   24   12    4 o  156.448   38.494   51.611   18.414   54.774   18.714 -44.6057  103.209  161.895   30.746  151.000   70.582 10.89508 76.98782 
1 1 1   24   12    5 o  197.138   43.371   84.996   23.780   86.750   24.354   49.099  110.170  206.795   30.178  187.482   81.323 19.31317 86.74162 
1 1 1   24   12    6 o  198.452   53.544   90.561   54.881  101.294   62.100   52.287  117.276  205.895   67.217  191.009   83.366 14.88580 107.0889 
1 1 1   24   12    7 o  315.126   56.224  277.741   64.755  294.915   72.514  210.127  143.882  367.981   50.497  262.272  100.473 105.7082 112.4485 
1 1 1   24   12    8 o  145.706   44.295   20.018   44.446   31.782   54.047  -4.5595   78.119  146.242   59.754  145.170   65.405 1.072083 88.59055 
1 1 1   24   12    9 o  246.414   54.154  165.825   56.343  177.255   63.836  125.526  119.862  273.331   61.352  219.496   89.256 53.83469 108.3081 
1 1 1   24   12   10 o  309.992   51.530  284.398   61.680  327.746   71.316  155.715  122.876  388.190   47.077  231.794   91.679 156.3968 103.0600 
1 1 1   24   12   11 o  330.862  134.956  610.472  275.094  610.472  275.094   0.0000   0.0000  330.862  134.956  ?   ?       ?      ? 
1 1 1   24   12   12 o  192.884   41.540   94.736   47.633  159.410   55.111 -96.2533   94.706  259.456   56.067  126.312   61.309 133.1439 83.07981 
1 1 1   24   12   13 o  180.844   47.105   81.486   50.640  119.155   58.341 -33.6229  101.985  215.889   64.384  145.799   68.778 70.09070 94.21030 
1 1 1   24   12   14 o  155.365   46.383   43.370   47.119   64.037   51.346 -66.8583  118.583  165.148   60.691  145.583   70.158 19.56432 92.76607 
1 1 1   24   12   15 o  178.187   48.670   82.066   49.674  102.405   53.964 -30.8123  127.129  199.757   62.391  156.616   74.716 43.14058 97.34010 
1 1 1   24   12   16 o  173.060   50.234   71.386   51.905   86.866   55.864 -26.3624  140.382  184.067   63.769  162.053   77.635 22.01421 100.4677 
1 1 1   24   12   17 o  295.636   55.287  210.050   61.439  210.050   61.439   0.0000   0.0000  295.636   55.287  ?   ?       ?      ? 
1 1 1   24   12   18 o  147.512   48.515   2.7538   44.290  -7.9178   47.319   78.179  125.801  111.143   50.411  183.881   82.908 -72.73829 97.03063 
1 1 1   24   12   19 o  149.522   49.753   13.499   46.634   11.482   48.833   34.395  157.175  122.911   53.716  176.134   83.761 -53.22259 99.50539 
1 1 1   24   12   20 o  177.656   55.207   73.487   55.931   72.753   58.436   81.501  193.120  168.632   64.166  186.680   89.854 -18.04889 110.4132 
1 1 1   24   13    0 o  182.620   46.152   66.072   21.896   67.660   22.131  -7.3210  150.471  179.514   32.800  185.726   86.279 -6.211685 92.30339 
1 1 1   24   13    1 o  325.780   59.071  222.604   35.891  216.778   36.618  364.952  181.003  327.356   28.664  324.203  114.612 3.152985 118.1421 
1 1 1   24   13    2 o  200.434   51.469   57.322   20.770   55.031   21.000  160.045  140.620  160.941   34.476  239.928   96.993 -78.98703 102.9376 
1 1 1   24   13    3 o  140.624   43.571   20.621   14.742   20.565   14.860   24.154  117.327  101.244   32.872  180.005   80.704 -78.76138 87.14222 
1 1 1   24   13    4 o  101.109   48.627 -66.5805   56.287 -66.5805   56.287   0.0000   0.0000  101.109   48.627  ?   ?       ?      ? 
1 1 1   24   13    5 o  103.244   49.506 -63.4567   57.365 -63.4567   57.365   0.0000   0.0000  103.244   49.506  ?   ?       ?      ? 
1 1 1   24   13    6 o  190.257   53.504   77.268   55.170   75.499   64.330   82.187  107.276  182.823   67.797  197.691   82.791 -14.86751 107.0080 
1 1 1   24   13    7 o  350.834   55.919  376.810   74.128  435.020   86.110  210.218  145.674  445.591   49.521  256.077  100.276 189.5142 111.8375 
1 1 1   24   13    8 o  203.183   53.962  105.014   58.928  122.264   72.133   70.405  102.174  217.997   72.506  188.370   79.940 29.62689 107.9237 
1 1 1   24   13    9 o  146.260   45.782   12.249   51.226   10.603   67.808   14.436   78.183  141.819   62.593  150.701   66.827 -8.882355 91.56325 
1 1 1   24   13   10 o  241.866   48.170  165.475   58.608  244.244   73.805   31.017   96.428  317.567   61.779  166.165   73.925 151.4021 96.34039 
1 1 1   24   13   11 o  194.615   51.377  100.813   56.801  131.018   67.035   23.922  106.955  222.633   69.538  166.598   75.650 56.03494 102.7540 
1 1 1   24   13   12 o  282.798   77.984  340.380  123.475  414.698  188.079  284.088  163.690  302.693  115.130  262.903  105.220 39.78983 155.9685 
1 1 1   24   13   13 o  163.251   53.071   7.7299   78.928   71.169  113.457 -51.7615  109.871  182.549   80.748  143.952   68.890 38.59776 106.1416 
1 1 1   24   13   14 o  191.476   50.058  102.431   49.472  116.993   52.775  -3.1059  142.075  214.902   60.413  168.050   79.835 46.85208 100.1168 
1 1 1   24   13   15 o  115.325   40.395 -60.1346   43.885 -56.2564   47.399 -83.4194  116.142   91.266   44.076  139.384   67.709 -48.11726 80.79092 
1 1 1   24   13   16 o  177.726   50.207   81.154   52.216   98.766   56.049 -34.5694  143.673  194.500   63.876  160.952   77.479 33.54797 100.4148 
1 1 1   24   13   17 o  280.911   55.481  191.269   58.662  191.269   58.662   0.0000   0.0000  280.911   55.481  ?   ?       ?      ? 
1 1 1   24   13   18 o  135.629   44.408   10.680   40.217   16.541   42.464 -40.3521  125.295  120.726   51.393  150.532   72.435 -29.80642 88.81512 
1 1 1   24   13   19 o  187.616   89.932   88.853  188.954   0.0000   0.0000   88.853  188.954  ?   ?   187.616   89.932      ?      ? 
1 1 1   24   14    0 o  288.068  117.872  332.706  210.685   0.0000   0.0000  332.706  210.685  ?   ?   288.068  117.872      ?      ? 
1 1 1   24   14    1 o  178.464   47.547   55.135   20.176   55.343   20.363   43.923  149.390  161.400   33.429  195.528   89.025 -34.12773 95.09472 
1 1 1   24   14    2 o  178.787   54.480   51.465   60.268   54.521   67.323   39.134  135.235  168.356   67.444  189.218   85.577 -20.86153 108.9594 
1 1 1   24   14    3 o  170.161   52.952   31.244   58.644   23.150   66.677   58.898  123.242  148.913   63.920  191.409   84.438 -42.49677 105.9034 
1 1 1   24   14    4 o  182.421   52.784   68.676   60.670   94.175   69.626 -11.7584  123.661  196.480   70.905  168.362   78.214 28.11856 105.5690 
1 1 1   24   14    5 o  186.771   50.881   75.787   59.900  127.086   72.618 -33.4189  105.954  221.529   72.705  152.014   71.202 69.51479 101.7630 
1 1 1   24   14    6 o  171.287   69.893   58.121   73.818   58.121   73.818   0.0000   0.0000  171.287   69.893  ?   ?       ?      ? 
1 1 1   24   14    7 o  223.939   74.251  134.297   75.667  134.297   75.667   0.0000   0.0000  223.939   74.251  ?   ?       ?      ? 
1 1 1   24   14    8 o  223.962   53.671  144.455   60.603  177.875   74.168   77.310  105.127  260.016   71.066  187.909   80.449 72.10637 107.3427 
1 1 1   24   14    9 o  283.802   55.364  247.850   66.274  277.471   78.285  172.915  124.515  337.286   61.752  230.317   91.910 106.9699 110.7284 
1 1 1   24   14   10 f  215.552   56.747  127.934   59.172  118.003   68.720  156.409  116.362  209.384   70.777  221.719   88.722 -12.33577 113.4942 
1 1 1   24   14   11 o  162.630   49.700   44.461   53.110   39.938   62.318   56.464  101.519  151.094   63.174  174.167   76.744 -23.07300 99.40088 
1 1 1   24   14   12 o  172.595   51.247   66.735   56.142   78.918   63.737   24.562  118.587  177.492   67.139  167.698   77.443 9.793991 102.4937 
1 1 1   24   14   13 o  164.357   50.370   51.324   56.168   66.660   62.172 -16.7694  131.008  167.904   65.575  160.811   76.474 7.092834 100.7390 
1 1 1   24   14   14 o  142.682   48.799 -76.4018   84.011 -25.2430  114.696 -135.6196  123.400  151.699   71.969  133.665   65.921 18.03351 97.59716 
1 1 1   24   14   15 o  216.792   64.655  156.840  101.611  254.600  138.197   41.797  149.917  254.649   98.233  178.934   84.092 75.71448 129.3109 
1 1 1   24   14   16 o  164.790   50.517   50.677   46.685   48.405   50.083   65.734  128.929  149.765   58.754  179.815   82.193 -30.05011 101.0334 
1 1 1   24   14   17 o  113.218   49.853   4.9544   42.768   4.9544   42.768   0.0000   0.0000  113.218   49.853  ?   ?       ?      ? 
1 1 1   24   14   18 o  243.630   64.979   38.419   46.531   1.5591   47.902  655.076  195.929  115.547   51.703  371.714  119.231 -256.1666 129.9587 
1 1 1   24   15    0 o  182.028   55.823   62.405   66.626   73.581   73.860   13.592  154.358  180.265   71.149  183.791   86.039 -3.525497 111.6461 
1 1 1   24   15    1 o  364.205  140.350  740.876  281.875   0.0000   0.0000  740.876  281.875  ?   ?   364.205  140.350      ?      ? 
1 1 1   24   15    2 o  213.505   68.104  116.951  123.788   2.9598  230.450  163.182  146.759  199.181   96.431  227.828   96.196 -28.64752 136.2081 
1 1 1   24   15    3 o  164.946   48.435   42.211   57.939   90.414   66.273 -114.0979  119.341  190.630   69.117  139.263   67.871 51.36661 96.86942 
1 1 1   24   15    4 o  236.745   54.733  168.559   63.637  199.494   74.459   84.733  122.570  278.765   68.852  194.726   85.101 84.03824 109.4660 
1 1 1   24   15    5 o  167.303   48.147   52.458   53.584   92.217   67.337 -16.1851   88.478  190.910   69.601  143.695   66.546 47.21516 96.29428 
1 1 1   24   15    6 o  190.595   48.512   87.455   56.886  152.300   69.744 -41.4236   98.324  239.511   70.130  141.679   67.047 97.83232 97.02322 
1 1 1   24   15    7 f  133.422   43.354 -31.8962   50.922 -77.9135   64.913   41.735   82.111  104.635   50.781  162.209   70.283 -57.57339 86.70897 
1 1 1   24   15    8 o  130.126   41.643  -9.0060   46.921   24.269   63.242 -49.7522   69.982  142.878   61.795  117.374   55.839 25.50404 83.28640 
1 1 1   24   15    9 o  152.336   64.542   38.877   66.429   38.877   66.429   0.0000   0.0000  152.336   64.542  ?   ?       ?      ? 
1 1 1   24   15   10 o  134.429   61.083  -1.0359   69.879  -1.0359   69.879   0.0000   0.0000  134.429   61.083  ?   ?       ?      ? 
1 1 1   24   15   11 o  176.504   71.139   76.338   75.401   76.338   75.401   0.0000   0.0000  176.504   71.139  ?   ?       ?      ? 
1 1 1   24   15   12 o  143.405   50.047 -115.3335   92.081 -86.8870  161.874 -128.9416  111.960  158.472   77.620  128.338   63.196 30.13451 100.0933 
1 1 1   24   15   13 o  162.650   50.172   37.803   66.680   89.834   74.805 -163.4243  147.112  184.380   71.952  140.921   69.942 43.45810 100.3441 
1 1 1   24   15   14 o  220.035   61.738  124.189   62.784   94.519   68.759  273.000  153.988  187.295   69.966  252.774  101.739 -65.47913 123.4751 
1 1 1   24   15   15 o  143.905   45.634   22.297   48.980   40.041   53.708 -65.3822  119.385  144.782   59.409  143.027   69.284 1.754868 91.26713 
1 1 1   24   15   16 o  135.944   45.513 -66.8232   69.991   44.447   93.049 -211.8162  106.217  161.581   72.198  110.307   55.438 51.27358 91.02647 
1 1 1   24   16    0 o  201.288   53.441  113.989   60.395  139.068   69.842   39.637  120.258  227.049   70.989  175.527   79.902 51.52158 106.8817 
1 1 1   24   16    1 o  163.241   50.050   44.199   56.044   52.524   65.569   21.625  107.971  161.309   65.852  165.173   75.390 -3.863586 100.1008 
1 1 1   24   16    2 o  177.150   50.353   72.655   57.241  104.976   67.216 -12.6463  109.198  199.301   69.898  155.000   72.499 44.30103 100.7064 
1 1 1   24   16    3 o  121.970   58.668 -68.9993   82.004   0.0000   0.0000 -68.9993   82.004  ?   ?   121.970   58.668      ?      ? 
1 1 1   24   16    4 o  217.001   56.466  139.904   63.030  149.488   74.902  116.654  116.664  231.732   73.656  202.270   85.606 29.46202 112.9320 
1 1 1   24   16    5 o  139.601   44.714   5.1527   50.629   11.234   62.096  -6.9061   87.442  134.991   59.723  144.211   66.563 -9.219894 89.42839 
1 1 1   24   16    6 o  120.706   40.548 -51.6717   50.403 -79.6687   65.392 -10.6923   79.114  104.100   50.624  137.312   63.356 -33.21224 81.09693 
1 1 1   24   16    7 o  152.267   47.192   29.860   52.994   21.365   69.642   41.545   81.678  144.456   63.612  160.078   69.727 -15.62212 94.38425 
1 1 1   24   16    8 o  171.586   51.664   63.322   59.346   68.768   72.556   52.315  103.153  171.473   69.548  171.700   76.418 -0.2273560 103.3279 
1 1 1   24   16    9 f  154.296   48.283   29.013   58.383   53.580   72.788 -15.3057   97.765  162.385   68.111  146.208   68.454 16.17673 96.56622 
1 1 1   24   16   10 o  191.640   53.916  101.938   64.388  133.359   78.314   36.393  113.110  214.621   75.438  168.658   77.051 45.96353 107.8322 
1 1 1   24   16   11 o  209.752   60.022  128.785   69.305  113.824   79.526  176.024  141.312  199.906   75.133  219.597   93.624 -19.69090 120.0435 
1 1 1   24   16   12 o  216.216   66.499  172.407  105.424  204.513  148.533  139.814  149.656  227.471   96.450  204.961   91.573 22.51004 132.9973 
1 1 1   24   16   13 o  165.697   67.702   63.559   69.381   63.559   69.381   0.0000   0.0000  165.697   67.702  ?   ?       ?      ? 
1 1 1   24   16   14 o  135.056   60.249   13.063   64.519   13.063   64.519   0.0000   0.0000  135.056   60.249  ?   ?       ?      ? 
1 1 1   24   16   15 o  231.141  100.310  257.244  167.784  257.244  167.784   0.0000   0.0000  231.141  100.310  ?   ?       ?      ? 
1 1 1   24   17    0 f  178.005   49.445   78.323   54.970  111.975   65.346  -3.1275  101.664  203.655   69.016  152.355   70.824 51.30019 98.89016 
1 1 1   24   17    1 o  148.417   47.546   7.4120   53.808 -11.8010   64.010   53.688   99.342  125.401   57.539  171.434   75.708 -46.03288 95.09226 
1 1 1   24   17    2 o  209.382   56.608  128.344   62.005  129.032   71.914  126.351  122.406  214.870   72.404  203.894   87.038 10.97614 113.2162 
1 1 1   24   17    3 o  121.244   40.522 -43.2800   51.502  -9.0030   64.999 -101.0977   84.418  127.274   58.245  115.215   56.352 12.05997 81.04339 
1 1 1   24   17    4 o  116.600   40.111 -97.7989   52.860 -148.0681   65.904  -7.1321   88.508   89.365   44.736  143.835   66.592 -54.47028 80.22300 
1 1 1   24   17    5 o  136.758   64.342 -28.2098   88.183   0.0000   0.0000 -28.2098   88.183  ?   ?   136.758   64.342      ?      ? 
1 1 1   24   17    6 f  206.105   49.494   94.628   62.549  223.661   85.701 -52.4498   91.497  280.289   76.303  131.920   63.060 148.3688 98.98808 
1 1 1   24   17    7 o  148.051   47.766   7.3639   61.797   29.171   81.309 -22.4608   95.089  153.653   68.142  142.449   66.954 11.20399 95.53146 
1 1 1   24   17    8 o  113.008   39.242 -94.0765   54.386 -99.7030   66.508 -82.7208   94.485   99.727   49.030  126.288   61.284 -26.56095 78.48326 
1 1 1   24   17    9 o  193.055   56.724   96.772   63.636   82.409   73.448  140.019  127.446  179.202   70.880  206.909   88.581 -27.70770 113.4481 
1 1 1   24   17   10 o  193.229   57.721   92.881   65.793   69.805   75.452  166.096  134.400  171.192   70.350  215.266   91.530 -44.07387 115.4423 
1 1 1   24   17   11 o  149.187   48.108   17.724   57.003   19.742   66.561   12.173  110.406  140.141   61.926  158.232   73.639 -18.09036 96.21600 
1 1 1   24   17   12 o  178.656   58.585   53.336   96.660  129.364  146.842  -4.7969  128.403  198.120   89.428  159.192   75.705 38.92799 117.1692 
1 1 1   24   17   13 o  189.945   60.889  109.624   97.867   89.722  152.703  123.497  127.494  185.316   86.364  194.574   85.856 -9.258484 121.7780 
1 1 1   24   18    0 o  160.507   49.154   40.184   60.352   79.327   73.543 -40.5373  105.611  177.749   70.729  143.265   68.279 34.48402 98.30842 
1 1 1   24   18    1 o  202.019   56.865  121.565   67.186  132.194   79.350   94.652  126.271  213.212   75.831  190.826   84.759 22.38597 113.7297 
1 1 1   24   18    2 o  209.327   60.789   98.729   67.733   52.655   76.666  262.588  144.581  162.894   69.193  255.761   99.969 -92.86662 121.5790 
1 1 1   24   18    3 o  153.282   49.816  -3.7210   59.512 -36.6866   69.563   86.277  114.939  120.256   56.751  186.308   81.890 -66.05199 99.63215 
1 1 1   24   18    4 o  172.830   49.627   70.070   56.692  104.015   67.379 -12.2124  104.904  195.405   69.837  150.256   70.528 45.14851 99.25388 
1 1 1   24   18    5 o  169.351   51.323   34.992   53.775  -1.5549   62.265  142.256  106.671  127.819   57.915  210.882   84.748 -83.06325 102.6469 
1 1 1   24   18    6 o  134.878   44.899 -33.4511   50.630 -60.0734   58.431   46.770  101.429  102.126   49.224  167.630   75.105 -65.50478 89.79839 
1 1 1   24   18    7 o  168.596   56.836   6.3758  100.476   8.8282  168.547   5.0238  125.144  174.970   84.149  162.223   76.422 12.74724 113.6722 
1 1 1   24   18    8 o  174.631   58.408   30.546  100.960   71.859  168.529   7.4196  126.090  186.707   88.178  162.555   76.619 24.15204 116.8154 
1 1 1   24   18    9 o  119.384   59.151 -142.0847  103.524   0.0000   0.0000 -142.0847  103.524  ?   ?   119.384   59.151      ?      ? 
1 1 1   24   18   10 f  162.394   57.423 -85.1742  109.895   93.696  241.175 -132.0444  123.456  192.877   94.530  131.911   65.220 60.96581 114.8458 
1 1 1   24   18   11 o  235.460   73.918  313.018  157.035   60.407  257.524  462.552  198.135  187.533   92.984  283.388  114.932 -95.85480 147.8357 
1 1 1   24   19    0 o  192.458   60.016   60.469   61.078   30.147   65.522  261.547  168.727  145.083   62.823  239.832  102.279 -94.74847 120.0323 
1 1 1   24   19    1 o  159.585   51.359   35.008   59.871   42.812   65.193  -7.0213  151.300  151.966   64.137  167.205   80.234 -15.23860 102.7185 
1 1 1   24   19    2 o  167.160   55.154   25.742   60.722   11.427   64.954  124.968  171.011  135.201   60.372  199.120   92.320 -63.91898 110.3075 
1 1 1   24   19    3 o  164.235   52.176   40.813   56.536   32.535   62.337   79.183  134.210  144.486   61.906  183.985   84.006 -39.49844 104.3521 
1 1 1   24   19    4 o  138.156   44.758   3.8782   47.470  -2.9971   54.739   24.732   95.333  120.217   54.401  156.095   71.089 -35.87864 89.51595 
1 1 1   24   19    5 o  147.197   44.819   34.050   47.673   58.034   54.744 -41.2205   96.981  157.940   61.575  136.453   65.142 21.48746 89.63776 
1 1 1   24   19    6 o  141.416   49.363 -93.4336   86.881 -81.7612  164.212 -97.9712  102.384  156.402   76.923  126.430   61.884 29.97153 98.72566 
1 1 1   24   19    7 o  178.489   59.385   58.870  102.304   87.764  173.380   43.437  126.714  187.114   88.688  169.865   78.999 17.24847 118.7704 
1 1 1   24   19    8 o  180.128   59.415   71.642  105.447  -4.1823  170.572  118.544  134.153  168.362   81.848  191.893   86.147 -23.53099 118.8296 
1 1 1   24   20    0 o  214.636   53.995  154.778   59.330  166.700   61.796   14.288  212.129  251.049   63.138  178.223   87.610 72.82669 107.9906 
1 1 1   24   20    1 o  215.924   70.283  134.575   67.912  134.575   67.912   0.0000   0.0000  215.924   70.283  ?   ?       ?      ? 
1 1 1   24   20    2 o  104.105   50.401 -64.3860   62.954 -64.3860   62.954   0.0000   0.0000  104.105   50.401  ?   ?       ?      ? 
1 1 1   25    0    0 o  249.292   25.342  130.577   32.773  130.577   32.773  130.577   32.773  249.292   35.839  249.292   35.839 0.000000 0.000000 
1 1 1   25    0    1 o   76.358   27.642   17.049   14.755   17.049   14.755   17.049   14.755   76.358   39.091   76.358   39.091 -0.000000 0.000000 
1 1 1   25    0    2 o   16.708   8.6007 -10.2483   4.5757 -10.2483   4.5757 -10.2483   4.5757   16.708   12.163   16.708   12.163 -0.000000 0.000000 
1 1 1   25    0    3 o  475.756   18.840  450.483   49.112  450.483   49.112  450.483   49.112  475.756   26.644  475.756   26.644 -0.000000 0.000000 
1 1 1   25    0    4 o  349.595   18.171  244.706   34.623  244.706   34.623  244.706   34.623  349.595   25.698  349.595   25.698 -0.000000 0.000000 
1 1 1   25    0    5 o  318.224   29.289  212.371   49.030  212.371   49.030  212.371   49.030  318.224   41.421  318.224   41.421 0.000000 0.000000 
1 1 1   25    0    6 o  260.286   19.184  137.992   26.871  137.992   26.871  137.992   26.871  260.286   27.130  260.286   27.130 0.000000 0.000000 
1 1 1   25    0    7 o  320.412   17.676  206.061   30.819  206.061   30.819  206.061   30.819  320.412   24.998  320.412   24.998 -0.000000 0.000000 
1 1 1   25    0    8 o  376.966   18.050  284.258   37.155  284.258   37.155  284.258   37.155  376.966   25.526  376.966   25.526 0.000000 0.000000 
1 1 1   25    0    9 o  170.068   27.809   65.942   22.711   65.942   22.711   65.942   22.711  170.068   39.328  170.068   39.328 -0.000000 0.000000 
1 1 1   25    0   10 o  190.126   35.942   86.661   32.588   86.661   32.588   86.661   32.588  190.126   50.829  190.126   50.829 -0.000000 0.000000 
1 1 1   25    0   11 o  156.974   38.199   64.801   29.774   64.801   29.774   64.801   29.774  156.974   54.021  156.974   54.021 0.000000 0.000000 
1 1 1   25    0   12 o  151.740   67.415   57.886  118.052   57.886  118.052   57.886  118.052  151.740   95.339  151.740   95.339 0.000000 0.000000 
1 1 1   25    0   13 o  283.403   29.795  171.909   43.569  171.909   43.569  171.909   43.569  283.403   42.136  283.403   42.136 -0.000000 0.000000 
1 1 1   25    0   14 o  379.014   26.883  297.190   54.935  297.190   54.935  297.190   54.935  379.014   38.019  379.014   38.019 0.000000 0.000000 
1 1 1   25    0   15 o  197.709   41.165   98.209   39.036   98.209   39.036   98.209   39.036  197.709   58.217  197.709   58.217 -0.000000 0.000000 
1 1 1   25    0   16 f  164.444   46.581   78.549   41.045   78.549   41.045   78.549   41.045  164.444   65.876  164.444   65.876 0.000000 0.000000 
1 1 1   25    0   17 o  202.106   46.995  109.569   46.517  109.569   46.517  109.569   46.517  202.106   66.461  202.106   66.461 -0.000000 0.000000 
1 1 1   25    0   18 f  155.634   50.758   77.902   47.954   77.902   47.954   77.902   47.954  155.634   71.783  155.634   71.783 0.000000 0.000000 
1 1 1   25    1    0 o  224.000   20.782   99.681   17.745   97.120   22.660  103.742   28.535  220.862   26.291  227.137   32.192 -6.275482 41.56380 
1 1 1   25    1    1 o  131.702   24.028   35.683   12.266   40.098   19.306   32.695   15.884  138.208   35.583  125.195   32.298 13.01266 48.05529 
1 1 1   25    1    2 o  317.858   17.842  200.989   22.119  208.106   31.229  193.825   31.333  323.625   24.728  312.091   25.727 11.53317 35.68375 
1 1 1   25    1    3 o  317.339   17.616  200.294   21.802  208.697   30.858  191.918   30.807  324.108   24.397  310.569   25.419 13.53854 35.23264 
1 1 1   25    1    4 o  328.399   17.940  214.706   22.985  216.485   32.234  212.865   32.784  329.867   25.041  326.930   25.697 2.936676 35.87978 
1 1 1   25    1    5 o  401.108   23.432  336.101   34.331  289.742   57.482  361.808   42.804  376.141   39.160  426.075   25.744 -49.93396 46.86440 
1 1 1   25    1    6 o  182.665   24.403   43.159   14.032   27.544   15.276  127.517   35.506  115.170   32.547  250.161   36.370 -134.9914 48.80696 
1 1 1   25    1    7 o  436.263   18.316  379.535   31.160  366.084   43.104  394.259   45.098  428.219   25.794  444.308   26.010 -16.08896 36.63148 
1 1 1   25    1    8 o  663.061   26.241  828.484   59.799  755.448   68.544  1061.18  122.349  613.189   28.645  712.933   43.977 -99.74402 52.48296 
1 1 1   25    1    9 o  595.023   23.920  717.553   52.744  710.916   65.081  730.256   90.037  594.878   28.034  595.168   38.766 -0.2893677 47.84052 
1 1 1   25    1   10 o  395.288   21.838  306.299   31.192  290.737   37.218  343.030   57.179  381.390   25.007  409.187   35.808 -27.79755 43.67568 
1 1 1   25    1   11 o  177.869   22.826   37.702   11.845   25.745   12.651  122.745   33.739  110.981   28.919  244.757   35.324 -133.7761 45.65147 
1 1 1   25    1   12 o  329.081   81.255  359.125  128.124  379.654  188.335  341.439  174.810  334.828  117.025  323.335  112.760 11.49362 162.5106 
1 1 1   25    1   13 o  174.027   50.744   44.556   36.126   73.520  123.192   41.830   37.788  203.006   87.004  145.049   52.251 57.95656 101.4885 
1 1 1   25    1   14 o  273.873   31.325  162.922   31.700  172.238   41.234  149.460   49.569  288.678   36.602  259.068   50.846 29.61044 62.65010 
1 1 1   25    1   15 o  210.467   34.915  109.197   30.030  143.264   37.758   50.557   49.537  262.735   36.827  158.199   59.329 104.5360 69.82947 
1 1 1   25    1   16 o  148.563   34.569   51.598   25.944   69.960   28.917 -24.1688   58.740  178.268   42.218  118.858   54.752 59.41022 69.13872 
1 1 1   25    1   17 o  267.967   34.757  126.788   32.458   80.855   37.365  268.018   65.519  187.311   50.129  348.623   48.159 -161.3117 69.51430 
1 1 1   25    1   18 o  269.733   46.958  214.240   43.597  229.081   47.183  127.586  114.013  329.274   36.720  210.191   86.439 119.0824 93.91517 
1 1 1   25    1   19 o  152.130   39.068   51.533   35.069   80.019   39.576 -52.6083   75.672  183.060   52.607  121.200   57.772 61.85981 78.13524 
1 1 1   25    2    0 o  221.198   20.425   97.099   17.267   94.185   22.137  101.627   27.594  217.492   26.082  224.904   31.440 -7.411697 40.84998 
1 1 1   25    2    1 o  111.239   22.307   21.433   10.397   41.197   17.564   10.771   12.900  140.376   32.674   82.102   30.377 58.27415 44.61326 
1 1 1   25    2    2 o  147.192   21.146   44.914   11.731   47.264   16.590   42.565   16.591  151.296   29.157  143.087   30.636 8.209854 42.29293 
1 1 1   25    2    3 o  355.147   18.404  250.964   25.462  246.122   34.857  256.504   37.282  351.653   25.401  358.642   26.638 -6.988708 36.80743 
1 1 1   25    2    4 o  418.177   18.361  348.781   29.941  360.455   42.084  336.815   42.607  425.475   25.346  410.878   26.573 14.59695 36.72273 
1 1 1   25    2    5 o  306.748   21.057  185.357   23.780  199.871   41.757  178.391   28.929  314.127   34.064  299.369   24.763 14.75763 42.11332 
1 1 1   25    2    6 o  282.586   31.350  198.086   27.129  231.875   32.050  112.695   50.951  341.385   24.058  223.787   57.901 117.5975 62.70015 
1 1 1   25    2    7 o  388.801   23.020  298.963   31.762  289.328   37.536  323.254   59.602  380.813   25.258  396.789   38.492 -15.97540 46.03923 
1 1 1   25    2    8 o  439.610   23.743  403.318   37.453  422.833   45.613  362.933   65.617  460.110   25.404  419.109   40.120 41.00098 47.48633 
1 1 1   25    2    9 o  388.378   21.686  265.083   28.707  228.851   32.527  392.748   61.056  338.596   24.617  438.160   35.708 -99.56348 43.37112 
1 1 1   25    2   10 o  188.455   27.497   60.339   14.900   53.896   16.070   99.823   39.783  164.182   25.082  212.728   48.941 -48.54576 54.99380 
1 1 1   25    2   11 o  281.796   50.880  170.965   25.362  169.484   25.809  212.598  136.836  291.713   22.672  271.879   99.203 19.83374 101.7602 
1 1 1   25    2   12 o  215.877   45.187   81.228   16.681   79.925   16.879  135.715  109.123  200.473   21.576  231.281   87.761 -30.80722 90.37437 
1 1 1   25    2   13 o  180.212   59.618   73.052   48.793   0.0000   0.0000   73.052   48.793  ?   ?   180.212   59.618      ?      ? 
1 1 1   25    2   14 o  336.071   38.661  286.738   43.882  392.255   57.171  135.424   68.463  437.558   33.482  234.584   69.697 202.9741 77.32185 
1 1 1   25    2   15 o  276.786   39.196  222.084   42.393  300.333   51.262   52.783   75.402  381.746   34.410  171.826   70.436 209.9208 78.39155 
1 1 1   25    2   16 o  259.808   35.046  141.443   30.031  132.862   34.344  169.317   61.897  253.197   34.758  266.419   60.867 -13.22215 70.09268 
1 1 1   25    2   17 o  222.106   36.969  103.745   32.043  103.745   32.043   0.0000   0.0000  222.106   36.969  ?   ?       ?      ? 
1 1 1   25    2   18 o  242.987   39.079  126.134   37.056  126.134   37.056   0.0000   0.0000  242.987   39.079  ?   ?       ?      ? 
1 1 1   25    2   19 o  143.363   39.874   41.851   27.863   48.506   29.518 -12.5478   84.396  146.372   46.208  140.354   64.996 6.017883 79.74796 
1 1 1   25    2   20 o  226.724   43.984  152.702   39.558  166.334   42.259   56.198  112.441  277.803   38.981  175.645   78.860 102.1577 87.96806 
1 1 1   25    3    0 o  124.428   22.001   32.433   10.861   41.172   15.273   23.494   15.448  141.064   28.721  107.793   33.335 33.27096 44.00121 
1 1 1   25    3    1 o  135.426   22.147   38.743   11.639   49.258   16.269   27.721   16.657  154.804   27.960  116.048   34.355 38.75611 44.29448 
1 1 1   25    3    2 o  458.865   23.035  421.045   39.642  437.192   66.329  412.072   49.444  463.686   36.656  454.043   27.905 9.642487 46.06935 
1 1 1   25    3    3 o  326.945   36.462  217.428   46.520  217.428   46.520   0.0000   0.0000  326.945   36.462  ?   ?       ?      ? 
1 1 1   25    3    4 o  147.197   32.208   42.837   16.074   42.986   17.263   41.868   44.064  143.447   31.685  150.946   56.084 -7.499039 64.41530 
1 1 1   25    3    5 o  601.154   41.455  745.927   97.251   0.0000   0.0000  745.927   97.251  ?   ?   601.154   41.455      ?      ? 
1 1 1   25    3    6 o  292.190   25.462  163.579   24.221  155.449   27.255  194.114   52.821  279.235   25.012  305.144   44.358 -25.90952 50.92356 
1 1 1   25    3    7 o  139.126   32.211   29.068   13.223   26.159   13.865   58.305   43.955  112.085   30.765  166.167   56.602 -54.08189 64.42297 
1 1 1   25    3    8 o  384.929   23.426  269.468   30.000  243.828   33.784  365.066   65.235  349.526   24.769  420.331   39.770 -70.80554 46.85220 
1 1 1   25    3    9 o  212.400   31.622   95.416   19.155   95.079   20.803   97.293   49.092  218.249   24.426  206.552   58.337 11.69667 63.24455 
1 1 1   25    3   10 o  197.731   32.281  101.431   19.787  110.629   21.462   49.310   51.087  235.576   23.346  159.886   60.194 75.69008 64.56242 
1 1 1   25    3   11 o  392.717   57.745  334.950   38.399  329.319   39.311  452.096  179.302  405.771   24.826  379.663  112.790 26.10782 115.4900 
1 1 1   25    3   12 o  429.930   60.372  445.654   45.659  442.441   46.965  501.011  194.927  469.810   25.617  390.051  117.996 79.75894 120.7444 
1 1 1   25    3   13 o  227.468   34.349   85.776   17.675   80.169   18.385  154.198   64.220  200.323   23.517  254.612   64.546 -54.28873 68.69729 
1 1 1   25    3   14 o  203.023   68.420   98.661   64.217   0.0000   0.0000   98.661   64.217  ?   ?   203.023   68.420      ?      ? 
1 1 1   25    3   15 o  158.688   38.074   52.437   22.029   53.853   23.360   41.067   66.211  157.686   38.335  159.690   65.795 -2.004166 76.14790 
1 1 1   25    3   16 o  182.685   33.725   84.620   25.497  101.900   29.456   32.993   50.915  221.865   34.022  143.505   58.240 78.36006 67.44954 
1 1 1   25    3   17 o  433.498   34.750  392.427   58.786  392.427   58.786   0.0000   0.0000  433.498   34.750  ?   ?       ?      ? 
1 1 1   25    3   18 o  236.859   32.493  116.764   30.033  116.764   30.033   0.0000   0.0000  236.859   32.493  ?   ?       ?      ? 
1 1 1   25    3   19 o  233.524   36.568  115.934   33.325  115.934   33.325   0.0000   0.0000  233.524   36.568  ?   ?       ?      ? 
1 1 1   25    3   20 o  156.685   40.322   55.639   24.869   59.523   25.747   1.5699   96.067  162.649   40.671  150.721   69.638 11.92743 80.64452 
1 1 1   25    3   21 o  313.341   36.718  209.713   44.898  209.713   44.898   0.0000   0.0000  313.341   36.718  ?   ?       ?      ? 
1 1 1   25    3   22 o  285.813   37.420  175.598   41.736  175.598   41.736   0.0000   0.0000  285.813   37.420  ?   ?       ?      ? 
1 1 1   25    4    0 o   82.221   20.405   9.8043   8.0565   19.478   13.614   4.5905   9.9944   98.938   31.397   65.505   26.071 33.43275 40.81009 
1 1 1   25    4    1 o   67.390   18.875   4.2548   7.8127  -6.6161   13.296   9.9882   9.6555   59.589   26.902   75.191   26.483 -15.60178 37.75034 
1 1 1   25    4    2 o  251.968   29.327   76.631   24.506   27.227   27.108  297.598   57.329  122.499   44.237  381.437   38.514 -258.9374 58.65353 
1 1 1   25    4    3 o  792.844   27.996  1304.78   82.687  1344.84  103.828  1235.30  136.722  815.969   32.607  769.719   45.517 46.24963 55.99105 
1 1 1   25    4    4 o  250.887   34.078  152.143   25.026  163.166   27.862  106.123   56.930  286.176   24.949  215.598   63.427 70.57857 68.15701 
1 1 1   25    4    5 o  507.529   43.519  535.696   86.192   0.0000   0.0000  535.696   86.192  ?   ?   507.529   43.519      ?      ? 
1 1 1   25    4    6 o  137.824   33.689   32.418   14.725   31.813   15.382   39.057   50.943  123.188   31.785  152.461   59.410 -29.27325 67.37852 
1 1 1   25    4    7 o  402.285   30.880  378.914   38.842  420.830   45.187  260.299   76.014  459.046   25.225  345.523   56.375 113.5232 61.76079 
1 1 1   25    4    8 f  158.119   34.693   52.127   16.098   53.997   16.598   22.505   66.063  164.268   25.893  151.969   64.374 12.29865 69.38613 
1 1 1   25    4    9 o  200.301   35.328   89.113   19.188   90.329   20.230   78.206   60.581  212.694   24.373  187.909   66.320 24.78438 70.65649 
1 1 1   25    4   10 o  214.984   34.832  131.010   22.971  144.034   24.566   40.336   64.820  268.742   23.424  161.227   65.608 107.5156 69.66368 
1 1 1   25    4   11 o  191.008   36.980   79.093   17.775   79.874   18.371   67.640   70.351  200.062   23.531  181.953   70.117 18.10858 73.95984 
1 1 1   25    4   12 o  177.146   39.847   64.928   16.183   66.103   16.393   19.893  101.496  182.023   23.078  172.269   76.279 9.753769 79.69321 
1 1 1   25    4   13 f  175.490   34.143   70.329   16.635   72.384   17.294   44.892   60.833  190.352   23.281  160.628   64.195 29.72392 68.28569 
1 1 1   25    4   14 o  171.950   31.818   73.911   23.465   92.955   27.214   18.722   46.329  213.036   32.735  130.863   54.571 82.17278 63.63673 
1 1 1   25    4   15 o  326.868  109.897  369.429  165.675   0.0000   0.0000  369.429  165.675  ?   ?   326.868  109.897      ?      ? 
1 1 1   25    4   17 o  164.984   42.717   41.368   19.983   37.634   20.577  103.326   83.818  131.430   37.981  198.539   76.527 -67.10930 85.43343 
1 1 1   25    4   18 o  249.756   44.834  195.355   38.039  207.775   39.711   57.132  132.477  315.928   32.210  183.584   83.683 132.3437 89.66769 
1 1 1   25    4   19 o  196.008   45.744   82.855   26.411   80.731   27.242  116.085  107.756  191.786   37.744  200.231   83.339 -8.445648 91.48806 
1 1 1   25    4   20 o  240.125   34.525  121.821   32.352  121.821   32.352   0.0000   0.0000  240.125   34.525  ?   ?       ?      ? 
1 1 1   25    4   21 o  ?   ?  -26.4652   3.6311 -26.4652   3.6311   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   25    4   22 o  173.650   37.416   66.818   24.607   66.818   24.607   0.0000   0.0000  173.650   37.416  ?   ?       ?      ? 
1 1 1   25    4   23 o  288.839   34.929  178.238   39.371  178.238   39.371   0.0000   0.0000  288.839   34.929  ?   ?       ?      ? 
1 1 1   25    5    0 o  342.409   26.639  219.530   28.913  206.137   32.137  276.417   66.233  321.511   25.614  363.308   46.716 -41.79684 53.27707 
1 1 1   25    5    1 o  345.861   56.656  243.971   33.795  239.565   34.499  348.529  168.078  346.616   25.505  345.106  110.405 1.509705 113.3123 
1 1 1   25    5    2 o  274.323   33.343  157.279   25.580  155.877   27.970  164.451   63.247  279.532   25.641  269.113   61.560 10.41919 66.68616 
1 1 1   25    5    3 f  324.529   31.527  142.995   31.687   75.263   35.081  443.076   73.841  185.700   48.044  463.359   40.836 -277.6592 63.05427 
1 1 1   25    5    4 o  380.738   31.033  328.732   36.607  352.017   41.876  253.270   75.386  419.941   25.553  341.535   56.562 78.40640 62.06591 
1 1 1   25    5    5 o  575.932   26.499  566.260   48.011  498.597   52.733  894.073  116.071  498.945   27.083  652.919   45.555 -153.9740 52.99754 
1 1 1   25    5    6 o  152.465   38.138   44.334   21.559   45.594   22.832   33.964   65.492  146.185   39.213  158.745   65.425 -12.55977 76.27581 
1 1 1   25    5    7 o  222.420   35.618   74.986   18.423   68.126   19.155  159.564   67.264  184.385   26.621  260.455   66.075 -76.07002 71.23586 
1 1 1   25    5    8 o  228.167   33.084  177.670   28.267  210.358   30.208 -52.4987   80.159  324.756   23.836  131.577   61.725 193.1792 66.16753 
1 1 1   25    5    9 o  253.849   39.212   48.700   15.172   42.336   15.349  321.077  100.411  142.645   28.569  365.053   73.035 -222.4077 78.42345 
1 1 1   25    5   10 o  333.844   38.134  256.938   31.623  261.651   34.070  227.610   84.987  361.918   24.123  305.771   72.352 56.14706 76.26749 
1 1 1   25    5   11 o  331.597   51.930  210.120   29.521  204.221   30.158  345.383  144.417  319.641   24.177  343.552  101.007 -23.91113 103.8607 
1 1 1   25    5   12 o  283.774   49.695  187.119   27.634  186.604   28.281  198.006  129.980  305.563   23.717  261.985   96.519 43.57748 99.39015 
1 1 1   25    5   13 o  277.351   35.547  208.206   37.439  314.946   48.338   48.155   59.190  393.043   31.515  161.659   63.728 231.3841 71.09467 
1 1 1   25    5   14 o  217.673   42.629  118.338   29.647  123.155   31.187   73.133   95.530  245.057   32.611  190.289   78.774 54.76837 85.25742 
1 1 1   25    5   15 o  172.522   32.000   87.904   18.372   96.003   18.850 -65.7594   82.109  219.075   22.049  125.970   60.082 93.10506 64.00029 
1 1 1   25    5   16 o  300.281  105.463  324.959  153.047   0.0000   0.0000  324.959  153.047  ?   ?   300.281  105.463      ?      ? 
1 1 1   25    5   17 o  224.504   90.737  160.463  123.036   0.0000   0.0000  160.463  123.036  ?   ?   224.504   90.737      ?      ? 
1 1 1   25    5   18 o  149.977   47.208   23.822   45.440   21.338   50.222   35.030  106.697  131.924   56.019  168.030   76.002 -36.10588 94.41664 
1 1 1   25    5   19 o  141.734   66.441 -21.3893   92.580   0.0000   0.0000 -21.3893   92.580  ?   ?   141.734   66.441      ?      ? 
1 1 1   25    5   20 o  198.358   42.555  105.683   29.069  110.603   29.855   15.886  127.540  229.357   33.355  167.358   78.302 61.99960 85.11079 
1 1 1   25    5   21 o   37.124   17.504  -7.1074   6.5910  -7.1074   6.5910   0.0000   0.0000   37.124   17.504  ?   ?       ?      ? 
1 1 1   25    5   22 o  108.834   33.934   25.328   15.971   25.328   15.971   0.0000   0.0000  108.834   33.934  ?   ?       ?      ? 
1 1 1   25    5   23 o  291.895   34.020  181.553   38.752  181.553   38.752   0.0000   0.0000  291.895   34.020  ?   ?       ?      ? 
1 1 1   25    6    0 o  354.028   28.892  239.079   31.217  227.603   34.375  293.057   74.551  337.503   26.100  370.552   51.555 -33.04938 57.78495 
1 1 1   25    6    1 o  385.021   59.093  308.845   38.649  302.882   39.511  440.999  186.014  389.356   26.004  380.685  115.290 8.670898 118.1858 
1 1 1   25    6    2 o  132.379   37.566   22.504   15.531   22.251   15.918   27.497   70.826  105.571   33.998  159.186   66.999 -53.61490 75.13143 
1 1 1   25    6    3 o  473.707   29.478  451.644   43.958  442.151   49.207  489.158   97.815  469.950   26.831  477.464   52.497 -7.513092 58.95628 
1 1 1   25    6    4 o  580.994   33.673  720.919   75.077  845.963  105.034  590.289  107.354  637.890   42.194  524.098   52.490 113.7921 67.34637 
1 1 1   25    6    5 o  547.970   27.443  602.458   58.684  602.458   58.684   0.0000   0.0000  547.970   27.443  ?   ?       ?      ? 
1 1 1   25    6    6 o  220.172   42.675   67.337   23.695   56.828   24.689  190.017   84.351  162.845   39.300  277.499   75.765 -114.6539 85.35069 
1 1 1   25    6    7 o  216.594   51.531   55.987   17.389   53.400   17.533  210.876  135.655  160.546   29.055  272.642   98.881 -112.0959 103.0615 
1 1 1   25    6    8 o  254.091   41.809  155.028   25.974  157.642   27.193  127.812   87.736  280.797   24.816  227.385   79.851 53.41205 83.61852 
1 1 1   25    6    9 o  163.360   34.808   59.809   17.001   62.642   17.532   15.191   69.585  176.865   25.402  149.855   64.816 27.00938 69.61585 
1 1 1   25    6   10 o  235.056   42.044  118.842   22.480  118.158   23.230  128.927   89.215  243.071   24.489  227.040   80.443 16.03046 84.08810 
1 1 1   25    6   11 o  324.124   51.236  196.834   28.657  190.765   29.273  336.516  140.439  308.806   24.291  339.442   99.552 -30.63608 102.4724 
1 1 1   25    6   12 o  155.113   37.720   48.444   15.464   50.525   15.630 -47.9262  106.347  158.684   25.240  151.542   71.093 7.141708 75.44062 
1 1 1   25    6   13 o  289.848   46.122  267.832   45.276  297.966   48.592   69.385  124.698  381.369   32.650  198.326   86.273 183.0432 92.24438 
1 1 1   25    6   14 o  125.971   36.893   15.481   9.9104   14.885   10.004   46.970   72.690   85.919   26.867  166.023   68.721 -80.10446 73.78593 
1 1 1   25    6   15 o  201.913   36.623  119.415   21.413  126.373   22.014  -2.7899   92.263  251.055   22.470  152.770   69.714 98.28444 73.24576 
1 1 1   25    6   16 f  129.202   32.175   38.280   18.013   46.002   18.430 -126.3629   85.099  146.247   33.069  112.156   55.203 34.09027 64.34988 
1 1 1   25    6   17 o  140.776   41.060   25.790   11.073   25.703   11.126   34.801  113.367  110.273   26.235  171.278   77.817 -61.00470 82.12061 
1 1 1   25    6   18 o  268.675   41.385  266.167   33.118  281.200   33.914 -42.4996  153.676  372.861   23.308  164.489   79.420 208.3728 82.76920 
1 1 1   25    6   19 o  130.195   61.726 -132.8182   35.885 -153.2504   39.679 -41.0461   84.093  ?   ?   130.195   61.726      ?      ? 
1 1 1   25    6   20 o  193.449   87.067   99.915  138.022   0.0000   0.0000   99.915  138.022  ?   ?   193.449   87.067      ?      ? 
1 1 1   25    6   21 o  155.948   36.068   53.673   21.513   53.673   21.513   0.0000   0.0000  155.948   36.068  ?   ?       ?      ? 
1 1 1   25    6   22 o  190.441   35.730   79.491   25.578   79.491   25.578   0.0000   0.0000  190.441   35.730  ?   ?       ?      ? 
1 1 1   25    7    0 o  551.601   27.656  547.658   48.237  497.262   53.294  776.054  113.456  497.923   27.427  605.278   48.033 -107.3545 55.31219 
1 1 1   25    7    1 o  123.436   35.073   23.567   15.621   25.937   16.005 -24.0875   71.780  112.178   33.783  134.693   61.475 -22.51498 70.14590 
1 1 1   25    7    2 o  171.978   49.317   30.287   15.888   29.060   16.005  112.874  131.324  117.924   33.311  226.031   92.840 -108.1068 98.63490 
1 1 1   25    7    3 o  366.982   39.625  308.231   37.065  313.753   40.170  276.595   96.146  395.963   25.997  338.001   74.866 57.96246 79.25076 
1 1 1   25    7    4 o  134.922   36.233   33.592   16.653   36.901   16.963 -54.5403   87.537  132.268   32.978  137.576   64.528 -5.307190 72.46635 
1 1 1   25    7    5 o  108.910   35.877  -4.5820   24.337   3.5651   25.376 -97.9751   85.918   94.087   39.878  123.733   59.651 -29.64684 71.75356 
1 1 1   25    7    6 o  242.348   41.676   89.081   21.139   82.550   21.749  200.631   89.882  202.670   27.499  282.026   78.685 -79.35625 83.35212 
1 1 1   25    7    7 o  187.583   37.410   93.459   28.362  107.823   29.951 -31.1683   88.226  229.967   33.375  145.199   66.963 84.76822 74.81937 
1 1 1   25    7    8 o  153.620   40.004   22.129   12.781   19.742   12.968  102.778   75.392   98.625   30.550  208.615   73.945 -109.9898 80.00745 
1 1 1   25    7    9 f  305.343   38.023  223.121   30.174  230.810   32.773  180.318   77.322  339.638   24.727  271.048   71.914 68.59039 76.04663 
1 1 1   25    7   10 o  147.984   30.430   54.733   16.926   61.909   17.685 -23.5473   58.411  175.644   25.801  120.325   55.120 55.31924 60.85932 
1 1 1   25    7   11 o  163.679   27.112   53.976   17.318   53.976   17.318   0.0000   0.0000  163.679   27.112  ?   ?       ?      ? 
1 1 1   25    7   12 o  233.478   24.906  109.425   22.692  109.425   22.692   0.0000   0.0000  233.478   24.906  ?   ?       ?      ? 
1 1 1   25    7   13 o  200.524   44.109   93.298   29.359   95.204   30.806   74.435   96.925  210.470   38.942  190.578   79.157 19.89238 88.21758 
1 1 1   25    7   14 o  238.714   41.271  165.192   25.715  172.078   26.569   63.238  102.233  292.791   23.253  184.637   79.199 108.1534 82.54178 
1 1 1   25    7   15 o  240.007   41.188  176.079   26.450  183.974   27.241   45.982  110.582  302.421   23.082  177.593   79.076 124.8277 82.37591 
1 1 1   25    7   16 o  242.990   37.370  215.198   29.520  232.398   30.328 -94.7793  128.746  339.599   22.884  146.381   71.150 193.2177 74.73933 
1 1 1   25    7   17 o  128.219   62.213 -87.3139   97.289   0.0000   0.0000 -87.3139   97.289  ?   ?   128.219   62.213      ?      ? 
1 1 1   25    7   18 f  214.054   40.787  135.685   23.211  139.992   23.558  -7.5307  135.849  263.145   22.941  164.964   78.281 98.18054 81.57308 
1 1 1   25    7   19 o  189.623   40.735   88.527   18.237   89.979   18.433   21.253  125.458  211.092   22.376  168.154   78.337 42.93869 81.47031 
1 1 1   25    7   20 o  227.428   41.103  165.260   25.302  170.889   25.673 -25.5693  149.467  290.683   22.632  164.173   79.028 126.5096 82.20521 
1 1 1   25    7   21 o  145.945   43.890   34.295   17.424   35.111   17.517 -42.5543  169.907  126.457   34.526  165.433   80.704 -38.97606 87.77946 
1 1 1   25    8    0 o  232.436   42.009  100.960   22.511   97.441   23.306  149.947   86.957  220.348   27.103  244.525   79.526 -24.17809 84.01800 
1 1 1   25    8    1 o  231.753   42.920   66.795   19.973   59.548   20.443  218.874   93.648  168.797   32.210  294.709   79.568 -125.9116 85.84049 
1 1 1   25    8    2 o  243.583   50.945  118.620   25.152  117.390   25.552  156.999  142.725  241.836   27.075  245.329   98.228 -3.492523 101.8907 
1 1 1   25    8    3 o  536.838   67.459  582.837   56.190  565.489   57.382  987.697  277.207  530.362   27.725  543.313  132.038 -12.95178 134.9175 
1 1 1   25    8    4 o  618.033   33.860  836.138   66.326  857.032   75.494  765.447  138.862  651.398   29.699  584.669   60.861 66.72943 67.72067 
1 1 1   25    8    5 f  170.369   40.317   52.617   17.688   52.397   18.085   57.447   84.881  158.560   30.333  182.179   74.712 -23.61919 80.63445 
1 1 1   25    8    6 o  167.259   42.867   59.602   32.249   67.476   34.877   13.169   84.690  174.686   49.113  159.832   70.272 14.85399 85.73312 
1 1 1   25    8    7 o  322.047   75.048  255.840   92.570   0.0000   0.0000  255.840   92.570  ?   ?   322.047   75.048      ?      ? 
1 1 1   25    8    8 o  315.424  114.126  334.813  180.552   0.0000   0.0000  334.813  180.552  ?   ?   315.424  114.126      ?      ? 
1 1 1   25    8    9 o  157.536   43.424   35.980   15.773   35.889   15.934   40.393  111.168  130.352   31.643  184.721   80.879 -54.36980 86.84879 
1 1 1   25    8   10 o  146.817   41.424   30.861   13.717   31.190   13.826   10.153  109.609  121.773   29.423  171.862   77.448 -50.08901 82.84861 
1 1 1   25    8   11 o  175.421   40.841   64.673   19.451   66.578   19.765   6.2243  109.481  181.465   27.911  169.377   76.766 12.08792 81.68217 
1 1 1   25    8   12 o  208.813   40.515  115.175   23.077  119.591   23.662   29.221  104.391  243.893   24.861  173.733   77.122 70.16037 81.02959 
1 1 1   25    8   14 f   73.531   26.786   9.2362   9.9701   9.2362   9.9701   0.0000   0.0000   73.531   26.786  ?   ?       ?      ? 
1 1 1   25    8   15 o  176.751   34.606   89.435   20.196   96.296   20.638 -65.8135   98.176  218.244   24.232  135.259   64.832 82.98468 69.21291 
1 1 1   25    8   16 o  235.213   23.400  111.812   21.479  111.812   21.479   0.0000   0.0000  235.213   23.400  ?   ?       ?      ? 
1 1 1   25    8   17 f  169.642   36.539   73.553   17.911   76.852   18.156 -46.2293  109.392  194.715   23.894  144.568   69.062 50.14751 73.07895 
1 1 1   25    8   18 o  189.930   42.513   89.560   25.750   92.331   26.317   27.354  124.693  210.146   32.091  169.715   78.738 40.43037 85.02666 
1 1 1   25    8   19 o  135.096   40.978   19.155   10.681   18.626   10.741   66.530  101.618   94.133   27.509  176.060   77.201 -81.92609 81.95528 
1 1 1   25    8   20 o  156.727   47.547   19.971   14.213   17.900   14.312  168.412  121.147   94.644   32.298  218.810   89.440 -124.1660 95.09301 
1 1 1   25    8   21 o  115.493   40.609   10.485   10.019   10.918   10.035 -121.6834  175.362   76.552   26.995  154.435   76.600 -77.88388 81.21767 
1 1 1   25    9    0 o  255.912   43.389   93.153   22.502   85.238   23.097  240.655   99.713  205.602   28.787  306.222   81.864 -100.6194 86.77795 
1 1 1   25    9    1 o  331.473   42.367  209.262   31.486  200.285   32.951  303.523  106.772  315.861   26.733  347.085   80.407 -31.22369 84.73452 
1 1 1   25    9    2 o  380.268   33.423  214.549   31.353  191.982   32.775  457.744  107.594  309.087   27.173  451.448   61.073 -142.3613 66.84507 
1 1 1   25    9    3 o  348.933   56.365  235.790   34.164  228.650   34.895  400.827  167.773  337.534   26.492  360.332  109.573 -22.79749 112.7297 
1 1 1   25    9    4 o  359.711   56.132  232.946   33.416  224.354   34.068  450.927  171.598  334.454   26.102  384.968  109.187 -50.51337 112.2638 
1 1 1   25    9    5 o  226.281   41.612  114.287   24.957  114.719   26.093  109.646   85.507  238.632   28.020  213.930   78.364 24.70198 83.22306 
1 1 1   25    9    6 o  339.502   36.527  235.371   32.378  228.804   34.848  276.828   87.561  337.521   26.458  341.483   68.096 -3.962341 73.05482 
1 1 1   25    9    7 o  323.301   42.223  301.600   37.981  337.425   42.067  143.614   88.341  409.841   26.302  236.761   80.246 173.0801 84.44636 
1 1 1   25    9    8 o  174.034   78.295   12.418  111.470   0.0000   0.0000   12.418  111.470  ?   ?   174.034   78.295      ?      ? 
1 1 1   25    9    9 o  325.426  117.836  383.961  192.538   0.0000   0.0000  383.961  192.538  ?   ?   325.426  117.836      ?      ? 
1 1 1   25    9   10 o  131.430   41.505   16.360   13.055   16.411   13.151   12.889  108.498   92.001   30.962  170.858   77.020 -78.85758 83.01014 
1 1 1   25    9   11 o  139.054   38.972   28.889   14.478   29.214   14.671   16.854   89.381  117.449   31.403  160.659   71.338 -43.21034 77.94373 
1 1 1   25    9   12 o  138.497   34.947   40.046   15.401   43.019   15.633 -57.8811   89.735  143.011   29.005  133.984   63.592 9.026917 69.89437 
1 1 1   25    9   13 o  295.042  104.155  310.875  149.429   0.0000   0.0000  310.875  149.429  ?   ?   295.042  104.155      ?      ? 
1 1 1   25    9   14 o  184.738   47.970   69.081   33.422   63.009   35.551  115.268   98.057  164.972   50.495  204.504   81.577 -39.53232 95.94083 
1 1 1   25    9   15 o  222.263   24.923  100.276   21.617  100.276   21.617   0.0000   0.0000  222.263   24.923  ?   ?       ?      ? 
1 1 1   25    9   16 o  205.625   46.815   97.501   36.724   97.501   36.724   0.0000   0.0000  205.625   46.815  ?   ?       ?      ? 
1 1 1   25    9   17 o  150.805   45.307   52.067   28.812   52.067   28.812   0.0000   0.0000  150.805   45.307  ?   ?       ?      ? 
1 1 1   25    9   18 o  219.332   58.966  156.697   78.923  213.931   98.254   52.611  132.502  260.142   84.531  178.521   82.235 81.62071 117.9324 
1 1 1   25    9   19 f  139.240   45.171  -0.5427   54.607  -4.2867   70.237   5.1787   86.827  132.342   60.558  146.139   67.040 -13.79634 90.34145 
1 1 1   25    9   20 o  122.398   40.369   12.151   18.368   12.658   18.617  -6.4243  112.713   91.370   35.829  153.426   72.354 -62.05606 80.73895 
1 1 1   25    9   21 o  216.752   62.765  177.656   85.323  184.090   98.366  158.108  171.464  231.867   84.184  201.637   93.117 30.22972 125.5304 
1 1 1   25   10    0 o  145.295   34.137   44.787   19.027   44.787   19.027   0.0000   0.0000  145.295   34.137  ?   ?       ?      ? 
1 1 1   25   10    1 o  287.385   43.995  153.109   28.059  145.720   29.175  244.173  102.421  268.990   27.793  305.780   83.486 -36.78925 87.99091 
1 1 1   25   10    2 o  378.586   32.289  193.466   30.628  166.469   31.986  491.307  106.239  287.244   28.535  469.927   57.933 -182.6829 64.57862 
1 1 1   25   10    3 o  172.560   41.382   41.037   16.949   37.869   17.350  107.227   79.297  133.681   33.364  211.440   75.741 -77.75883 82.76389 
1 1 1   25   10    4 o  404.477   59.542  324.412   41.862  313.418   42.866  550.809  194.518  394.336   27.856  414.617  115.781 -20.28061 119.0849 
1 1 1   25   10    5 o  219.357   27.366   96.917   23.426   96.917   23.426   0.0000   0.0000  219.357   27.366  ?   ?       ?      ? 
1 1 1   25   10    6 f  186.579   48.619   50.182   19.179   48.576   19.402  118.845  126.900  151.330   33.717  221.828   91.205 -70.49782 97.23806 
1 1 1   25   10    7 o  410.744   61.988  406.205   46.628  400.826   47.932  501.034  201.260  445.686   27.559  375.802  120.874 69.88480 123.9757 
1 1 1   25   10    8 o  375.821   60.055  329.663   42.206  323.993   43.319  435.757  187.390  400.408   27.723  351.235  116.866 49.17288 120.1094 
1 1 1   25   10    9 f  274.290  106.190  254.308  161.940   0.0000   0.0000  254.308  161.940  ?   ?   274.290  106.190      ?      ? 
1 1 1   25   10   10 o  193.756   44.801   98.088   40.256  115.662   43.838   3.5388  101.680  225.439   51.019  162.073   73.659 63.36629 89.60255 
1 1 1   25   10   11 o  229.130   44.369  153.372   44.150  177.398   47.783   13.167  115.428  287.761   42.551  170.499   77.871 117.2621 88.73824 
1 1 1   25   10   12 o  171.825   35.718   77.193   20.834   83.162   21.414 -28.6717   90.180  202.174   27.142  141.475   66.078 60.69888 71.43532 
1 1 1   25   10   13 f  131.544   40.094   21.170   32.438   31.263   35.100 -37.8954   84.911  129.293   49.602  133.795   63.006 -4.502029 80.18793 
1 1 1   25   10   14 o  138.104   43.538   11.642   33.320   6.0259   35.768   48.518   91.655  107.848   46.558  168.360   73.584 -60.51154 87.07642 
1 1 1   25   10   15 o  175.810   45.158   79.053   37.052   88.683   38.992 -10.5612  118.950  193.292   50.966  158.327   74.563 34.96419 90.31692 
1 1 1   25   10   16 o  177.350   50.172   74.582   36.281   74.582   36.281   0.0000   0.0000  177.350   50.172  ?   ?       ?      ? 
1 1 1   25   10   17 o  152.908   47.764   31.079   32.138   28.737   33.205   65.754  127.780  124.242   48.089  181.574   82.541 -57.33214 95.52825 
1 1 1   25   10   18 o   87.808   40.006 -11.4873   30.231 -11.4873   30.231   0.0000   0.0000   87.808   40.006  ?   ?       ?      ? 
1 1 1   25   10   19 o  286.142   38.195  177.074   42.650  177.074   42.650   0.0000   0.0000  286.142   38.195  ?   ?       ?      ? 
1 1 1   25   10   20 f  102.984   50.492 -91.0388   69.017 -91.0388   69.017   0.0000   0.0000  102.984   50.492  ?   ?       ?      ? 
1 1 1   25   11    0 o  372.714   43.973  368.251   43.117  395.990   47.599  241.392  101.791  443.237   27.519  302.190   83.529 141.0471 87.94549 
1 1 1   25   11    1 f  270.321   28.657  147.697   30.231  147.697   30.231   0.0000   0.0000  270.321   28.657  ?   ?       ?      ? 
1 1 1   25   11    2 o  221.302   41.884  105.617   23.855  105.036   24.804  112.772   87.076  228.158   27.858  214.446   79.000 13.71211 83.76811 
1 1 1   25   11    3 o  306.111   39.871  217.924   33.132  221.499   36.111  198.905   83.302  331.241   27.936  280.981   74.688 50.25974 79.74189 
1 1 1   25   11    4 o  313.314   54.839  259.626   37.842  261.395   38.871  227.556  165.549  359.866   27.679  266.763  106.128 93.10312 109.6776 
1 1 1   25   11    5 o  115.698   36.870   15.524   13.038   17.433   13.121 -133.2863  115.862   93.980   30.908  137.416   66.950 -43.43651 73.74045 
1 1 1   25   11    6 o  309.271   53.175  269.401   38.394  274.044   39.539  192.734  160.672  368.277   27.512  250.265  102.730 118.0115 106.3505 
1 1 1   25   11    7 o  288.395   53.634  185.527   31.850  182.454   32.584  251.486  150.957  300.214   27.812  276.575  103.599 23.63928 107.2673 
1 1 1   25   11    8 o  196.452   42.853   93.587   24.014   96.978   24.433  -2.8457  130.274  218.460   28.659  174.444   80.772 44.01636 85.70602 
1 1 1   25   11    9 o  237.801   43.128  166.944   30.474  175.608   31.464   35.784  122.424  294.207   27.405  181.395   81.787 112.8120 86.25656 
1 1 1   25   11   10 o  292.650  107.590  319.022  161.387   0.0000   0.0000  319.022  161.387  ?   ?   292.650  107.590      ?      ? 
1 1 1   25   11   11 o  145.757   65.695   5.3826   78.902   0.0000   0.0000   5.3826   78.902  ?   ?   145.757   65.695      ?      ? 
1 1 1   25   11   12 o  246.198   43.888  186.922   50.069  232.901   56.849   27.919  105.717  325.635   44.736  166.761   75.520 158.8739 87.77595 
1 1 1   25   11   13 o  156.359   46.835   38.746   39.168   33.722   42.795   64.670   97.210  135.903   53.993  176.816   76.543 -40.91325 93.66985 
1 1 1   25   11   14 o  148.586   45.515   33.818   38.682   36.905   41.550   13.748  105.954  137.467   53.630  159.705   73.556 -22.23798 91.03086 
1 1 1   25   11   15 o  189.695   51.280   88.800   42.439   89.464   44.606   82.457  137.830  190.510   56.171  188.879   85.810 1.631760 102.5595 
1 1 1   25   11   16 o  164.093   55.841   64.635   42.780   64.635   42.780   0.0000   0.0000  164.093   55.841  ?   ?       ?      ? 
1 1 1   25   11   17 o  162.811   49.135   50.786   38.880   52.223   40.422   33.028  142.127  150.842   54.072  174.780   82.056 -23.93890 98.27023 
1 1 1   25   11   18 o  190.854   44.687  107.185   41.455  123.729   43.866 -31.0636  126.806  228.045   50.613  153.663   73.661 74.38242 89.37334 
1 1 1   25   11   19 o  180.281   48.198   90.255   45.122  101.914   47.751  -6.9693  137.886  199.612   57.908  160.951   77.064 38.66110 96.39633 
1 1 1   25   12    0 o  230.674   53.408  106.526   26.353  105.705   26.640  144.045  180.090  228.012   29.940  233.336  102.533 -5.323410 106.8150 
1 1 1   25   12    1 o  215.570   38.240  126.681   26.831  137.065   28.552   48.235   78.478  260.249   28.114  170.890   71.124 89.35889 76.47907 
1 1 1   25   12    2 o  175.108   44.859   57.966   19.109   59.030   19.284   0.3486  141.913  167.967   30.546  182.249   84.357 -14.28220 89.71701 
1 1 1   25   12    3 o  248.420   28.849  125.224   27.967  125.224   27.967   0.0000   0.0000  248.420   28.849  ?   ?       ?      ? 
1 1 1   25   12    4 o  156.692   33.159   52.150   19.643   52.150   19.643   0.0000   0.0000  156.692   33.159  ?   ?       ?      ? 
1 1 1   25   12    5 o  122.168   42.107   2.4885   10.329   2.1005   10.375   46.249  110.176   62.040   25.844  182.296   80.149 -120.2563 84.21306 
1 1 1   25   12    6 o  193.837   44.658   83.752   25.556   85.855   26.080   33.041  128.075  204.200   32.728  183.473   83.103 20.72763 89.31504 
1 1 1   25   12    7 o  191.794   42.846   84.291   23.155   86.426   23.599   29.174  119.907  205.750   29.392  177.839   80.493 27.91040 85.69108 
1 1 1   25   12    8 o  176.868   48.403   70.749   50.634   98.370   59.946   1.9770   94.590  198.555   66.101  155.181   70.726 43.37367 96.80665 
1 1 1   25   12    9 o  203.183   44.972  110.890   51.880  170.780   60.725 -50.9664   99.828  265.359   60.043  141.007   66.968 124.3522 89.94398 
1 1 1   25   12   10 o  246.927   51.207  184.672   56.169  209.681   63.771   98.138  118.623  296.597   57.169  197.258   84.973 99.33929 102.4147 
1 1 1   25   12   11 o  161.081   45.804   53.381   46.692   79.379   54.721 -16.2378   89.546  179.217   63.054  142.945   66.456 36.27266 91.60886 
1 1 1   25   12   12 o  198.317   60.410  104.163   83.796  151.147  129.860   70.642  109.687  215.027   90.623  181.607   79.906 33.41908 120.8204 
1 1 1   25   12   13 o  121.450   40.311 -18.3127   42.091  -8.5622   47.506 -53.9176   90.780  111.530   50.556  131.370   62.801 -19.83990 80.62157 
1 1 1   25   12   14 o  209.505   46.939  135.996   49.627  161.404   53.306 -29.2770  135.953  259.267   54.420  159.742   76.495 99.52489 93.87779 
1 1 1   25   12   15 o  214.217   53.892  138.704   55.175  147.751   58.752   71.124  160.574  240.127   62.199  188.307   88.026 51.81972 107.7839 
1 1 1   25   12   16 o  175.396   63.055   77.844   55.004   77.844   55.004   0.0000   0.0000  175.396   63.055  ?   ?       ?      ? 
1 1 1   25   12   17 o  137.385   46.400 -21.6180   43.944 -33.8667   47.120   60.158  121.751   98.734   46.629  176.036   80.235 -77.30256 92.80029 
1 1 1   25   12   18 o  150.985   46.702   39.946   41.719   45.318   44.209  -3.7474  126.087  144.035   55.561  157.935   75.082 -13.90079 93.40424 
1 1 1   25   13    0 o  189.937   47.853   77.545   26.109   79.635   26.418 -10.4028  171.358  192.872   36.434  187.001   88.500 5.870514 95.70654 
1 1 1   25   13    1 o  218.817   53.936   75.786   22.187   73.428   22.386  206.914  166.931  189.516   30.268  248.118  103.538 -58.60220 107.8718 
1 1 1   25   13    2 o  159.779   48.187   29.019   15.905   28.300   16.005   86.047  142.576  115.593   33.523  203.965   90.355 -88.37176 96.37367 
1 1 1   25   13    3 o  134.804   43.691   15.536   13.395   15.394   13.472   27.814  124.885   90.180   31.312  179.428   81.580 -89.24810 87.38217 
1 1 1   25   13    4 o  179.925   40.194   80.505   24.596   86.156   25.091 -58.4835  124.430  204.680   31.413  155.170   73.997 49.50970 80.38843 
1 1 1   25   13    5 o   77.329   29.244   9.3165   12.091   9.3165   12.091   0.0000   0.0000   77.329   29.244  ?   ?       ?      ? 
1 1 1   25   13    6 o  281.862   66.447  199.769   71.895  199.769   71.895   0.0000   0.0000  281.862   66.447  ?   ?       ?      ? 
1 1 1   25   13    7 o  182.743   51.360   78.418   52.126   81.920   60.913   68.839  100.745  182.863   66.269  182.624   78.486 0.2393646 102.7207 
1 1 1   25   13    8 o  125.185   40.060  -9.9842   43.256   18.558   53.737 -62.5182   72.903  133.689   57.384  116.682   55.912 17.00728 80.11916 
1 1 1   25   13    9 o  117.985   39.497 -42.5880   43.891 -58.4353   53.126  -8.5152   77.900   97.849   47.105  138.122   63.413 -40.27219 78.99424 
1 1 1   25   13   10 f  213.303   51.560  132.182   53.150  147.569   61.069   84.123  107.928  239.614   64.070  186.991   80.800 52.62289 103.1193 
1 1 1   25   13   11 o  220.942   45.577  149.862   51.564  194.135   58.788   2.1851  107.367  285.165   54.819  156.719   72.829 128.4463 91.15477 
1 1 1   25   13   12 o  160.345   52.177   7.5045   74.576   68.521  114.229 -37.8224   98.454  180.372   80.337  140.319   66.602 40.05264 104.3545 
1 1 1   25   13   13 o  216.088   66.564  167.062  106.883  127.176  158.481  200.341  144.760  203.022   92.150  229.154   96.081 -26.13159 133.1286 
1 1 1   25   13   14 o  161.693   53.343   4.0342   85.119   53.221  109.101 -72.4779  136.072  172.761   77.614  150.626   73.197 22.13539 106.6857 
1 1 1   25   13   15 o  150.641   48.363   26.747   46.365   29.972   49.270   1.7986  137.045  135.761   56.417  165.521   78.568 -29.76004 96.72588 
1 1 1   25   13   16 o  239.540   60.733  147.229   56.851  147.229   56.851   0.0000   0.0000  239.540   60.733  ?   ?       ?      ? 
1 1 1   25   13   17 o  122.301   41.189 -17.9936   43.663  -3.8134   47.202 -102.0698  114.935  112.261   50.685  132.341   64.940 -20.08034 82.37825 
1 1 1   25   14    0 f  294.240   67.688  247.108   71.468  229.735   75.746  387.991  215.702  303.203   65.898  285.277  118.255 17.92624 135.3768 
1 1 1   25   14    1 o  233.339  104.187  199.296  193.410   0.0000   0.0000  199.296  193.410  ?   ?   233.339  104.187      ?      ? 
1 1 1   25   14    2 o  240.743   50.703  132.647   29.280  130.937   29.867  174.849  148.370  252.213   30.345  229.272   96.760 22.94130 101.4068 
1 1 1   25   14    3 o  165.492   45.253   36.366   17.504   34.080   17.753  116.010  104.794  125.559   34.949  205.425   83.487 -79.86600 90.50648 
1 1 1   25   14    4 o  119.965   40.375 -95.3568   47.550 -158.3848   57.993   33.937   83.061   80.067   40.333  159.863   69.955 -79.79627 80.74966 
1 1 1   25   14    5 o  165.649   48.728   54.749   51.167   66.421   61.054   27.207   93.784  169.809   65.352  161.489   72.296 8.319901 97.45572 
1 1 1   25   14    6 o  253.055   61.898  159.016   62.193  121.196   69.294  315.696  141.040  211.867   71.074  294.242  101.359 -82.37517 123.7953 
1 1 1   25   14    7 o  206.737   51.781  122.560   54.443  140.864   63.195   69.862  107.229  231.966   66.423  181.508   79.454 50.45840 103.5611 
1 1 1   25   14    8 o  296.460   62.477  219.980   70.000  219.980   70.000   0.0000   0.0000  296.460   62.477  ?   ?       ?      ? 
1 1 1   25   14    9 o  167.676   64.966   66.215   60.648   66.215   60.648   0.0000   0.0000  167.676   64.966  ?   ?       ?      ? 
1 1 1   25   14   10 o  198.107   53.636  109.471   56.032  113.092   65.111   99.136  110.010  204.337   68.894  191.877   82.226 12.45973 107.2729 
1 1 1   25   14   11 o  158.968   48.891   43.109   54.635   55.634   63.640   8.0063  106.542  160.540   65.127  157.395   72.937 3.144684 97.78236 
1 1 1   25   14   12 o  195.884   51.246  111.305   58.265  143.887   66.903   8.9970  118.552  229.633   69.052  162.135   75.740 67.49786 102.4919 
1 1 1   25   14   13 o  149.797   47.993   21.045   55.840   33.735   63.312 -23.3999  118.489  146.438   62.556  153.156   72.803 -6.717743 95.98685 
1 1 1   25   14   14 o  157.036   50.044   36.097   53.055   42.348   57.032  -4.0911  144.606  148.124   61.051  165.948   79.312 -17.82402 100.0874 
1 1 1   25   14   15 o  167.735   55.242   31.198   88.462   58.467  124.818   3.6775  125.392  175.114   80.349  160.356   75.833 14.75760 110.4840 
1 1 1   25   14   16 o  264.694  100.088  300.608  141.613  300.608  141.613   0.0000   0.0000  264.694  100.088  ?   ?       ?      ? 
1 1 1   25   15    0 o  219.613   50.016  111.565   27.795  111.161   28.160  126.803  172.986  231.486   31.173  207.740   95.051 23.74544 100.0322 
1 1 1   25   15    1 o  116.236   38.315   12.446   14.106   13.561   14.215 -59.5056  114.191   87.374   31.960  145.098   69.647 -57.72421 76.62978 
1 1 1   25   15    2 o  126.909   59.765 -36.4556   76.412   0.0000   0.0000 -36.4556   76.412  ?   ?   126.909   59.765      ?      ? 
1 1 1   25   15    3 o  168.980   74.112   49.384   93.694   0.0000   0.0000   49.384   93.694  ?   ?   168.980   74.112      ?      ? 
1 1 1   25   15    4 o  162.878   48.222   52.987   50.466   61.499   61.156   34.820   89.345  164.861   64.845  160.896   71.389 3.964371 96.44312 
1 1 1   25   15    5 o  168.162   50.007   58.183   52.949   56.228   63.538   62.627   95.788  161.673   65.254  174.650   75.793 -12.97705 100.0133 
1 1 1   25   15    6 o  249.242   60.763  182.856   64.548  165.286   73.055  245.389  137.820  244.721   71.809  253.764   98.041 -9.042847 121.5264 
1 1 1   25   15    7 o  119.507   39.269 -42.2265   48.632   17.913   59.057 -168.9146   85.716  135.684   59.191  103.330   51.620 32.35369 78.53771 
1 1 1   25   15    8 o  127.405   41.726 -16.5378   48.869  -2.5811   62.266 -38.9241   78.858  127.762   57.900  127.048   60.099 0.7144775 83.45222 
1 1 1   25   15    9 o  140.694   45.105   6.9828   52.004   7.5163   65.306   6.0583   85.971  134.600   60.289  146.788   67.105 -12.18770 90.20940 
1 1 1   25   15   10 o  114.786   53.965 -33.0137   61.838 -33.0137   61.838   0.0000   0.0000  114.786   53.965  ?   ?       ?      ? 
1 1 1   25   15   11 o  188.791   86.637   84.190  145.187   84.190  145.187   0.0000   0.0000  188.791   86.637  ?   ?       ?      ? 
1 1 1   25   15   12 o  204.865   67.835  114.734   63.164  114.734   63.164   0.0000   0.0000  204.865   67.835  ?   ?       ?      ? 
1 1 1   25   15   13 o  179.926   56.311   59.465   56.500   43.319   60.596  166.937  156.330  149.854   62.444  209.998   93.724 -60.14372 112.6212 
1 1 1   25   15   14 o  133.490   45.282 -16.8549   46.732 -19.8948   50.328   2.1701  125.903  107.700   49.986  159.280   75.519 -51.58090 90.56354 
1 1 1   25   16    0 o  189.967   49.675   92.629   60.324  156.149   72.468 -50.7140  108.863  236.981   72.002  142.953   68.454 94.02742 99.34943 
1 1 1   25   16    1 o  245.858   51.978  191.206   62.729  241.537   75.630   80.259  112.289  307.160   65.117  184.556   81.034 122.6039 103.9552 
1 1 1   25   16    2 o  125.917   41.885 -33.7916   50.094 -51.2378   62.671  -2.9225   83.364  109.541   52.314  142.292   65.428 -32.75086 83.77084 
1 1 1   25   16    3 o  157.165   48.142  -5.4948   52.481 -62.7844   62.479  131.790   96.717  105.739   50.949  208.592   81.700 -102.8541 96.28436 
1 1 1   25   16    4 o  217.159   90.155  160.070  125.645   0.0000   0.0000  160.070  125.645  ?   ?   217.159   90.155      ?      ? 
1 1 1   25   16    5 o  195.656   57.422   97.663   66.219   73.904   78.307  157.301  124.064  175.317   71.813  215.995   89.622 -40.67734 114.8444 
1 1 1   25   16    6 o  122.779   41.537 -44.5973   52.145 -34.9712   61.921 -68.0714   96.695  114.246   53.801  131.312   63.299 -17.06555 83.07426 
1 1 1   25   16    7 o  130.305   43.257 -23.2053   52.581 -21.8361   63.904 -26.0752   92.519  120.850   56.169  139.760   65.800 -18.90984 86.51405 
1 1 1   25   16    8 o  201.618   57.336  105.758   61.215   83.079   70.307  176.827  124.459  179.625   69.850  223.612   90.943 -43.98686 114.6716 
1 1 1   25   16    9 o  150.212   47.301   26.621   54.852   45.408   64.052 -25.0490  106.225  153.517   64.105  146.908   69.570 6.608734 94.60129 
1 1 1   25   16   10 o  163.505   50.546   46.741   55.685   36.713   65.256   73.609  106.809  148.572   63.490  178.437   78.667 -29.86504 101.0911 
1 1 1   25   16   11 o  160.886   55.374 -31.4359   78.132  124.678  186.496 -64.6692   86.047  198.118   93.320  123.654   59.634 74.46442 110.7471 
1 1 1   25   16   12 o  141.074   43.487   14.752   51.089   63.823   58.676 -139.0605  103.882  162.478   63.636  119.669   59.285 42.80921 86.97302 
1 1 1   25   16   13 o  230.340   57.663  180.269   63.734  182.475   68.843  167.043  168.574  257.167   67.679  203.514   93.379 53.65289 115.3260 
1 1 1   25   17    0 o  143.774   46.628   4.0041   57.401   12.946   70.075 -14.2321  100.071  140.130   62.631  147.417   69.096 -7.287201 93.25667 
1 1 1   25   17    1 o  176.083   49.092   70.296   59.052  127.206   70.664 -61.4641  107.521  213.003   71.771  139.162   66.999 73.84039 98.18336 
1 1 1   25   17    2 o  123.663   41.849 -56.8817   52.568 -84.1111   64.602  -3.5147   90.440  101.700   49.646  145.626   67.383 -43.92628 83.69726 
1 1 1   25   17    3 o  147.806   47.410  -5.3250   52.055 -38.2559   60.804   85.045  100.726  111.864   52.872  183.748   78.709 -71.88365 94.81911 
1 1 1   25   17    4 o  197.926   47.704  115.569   54.419  157.512   61.250 -41.6382  118.579  246.802   63.292  149.050   71.392 97.75179 95.40820 
1 1 1   25   17    5 o  135.618   44.858  -8.6567   52.894   8.7315   59.003 -79.8147  119.360  130.153   57.868  141.084   68.559 -10.93080 89.71673 
1 1 1   25   17    6 o  173.910   57.104   33.835   97.060 -68.4908  160.012   93.401  122.085  159.404   77.884  188.416   83.532 -29.01117 114.2082 
1 1 1   25   17    7 o  162.048   52.143   19.472   59.744  -7.2834   67.748  113.063  126.708  129.041   59.204  195.056   85.851 -66.01494 104.2862 
1 1 1   25   17    8 o  196.373   58.172  101.818   61.452   91.189   66.601  162.695  159.388  183.993   68.834  208.753   93.796 -24.75958 116.3433 
1 1 1   25   17    9 o  146.470   48.386  -4.3595   51.262 -21.8180   56.578   75.676  121.139  113.230   52.702  179.710   81.161 -66.47966 96.77132 
1 1 1   25   17   10 o  132.576   47.205 -108.0524   72.191 -98.2419  180.424 -109.9224   78.772  158.059   78.273  107.093   52.788 50.96556 94.40974 
1 1 1   25   18    0 o  175.576   54.284   63.658   58.313   55.369   64.161  103.008  139.799  159.177   65.080  191.974   86.900 -32.79683 108.5678 
1 1 1   25   18    1 o  135.240   46.555 -45.2931   52.514 -59.3292   57.288   28.543  131.393  100.914   48.665  169.566   79.380 -68.65182 93.11022 
1 1 1   25   18    2 o  185.724   51.193   97.731   57.251  121.984   63.465  -8.2386  132.660  210.549   67.893  160.900   76.639 49.64954 102.3868 
1 1 1   25   18    3 o  142.494   43.986   23.828   47.937   54.024   53.608 -96.6668  107.088  154.880   60.778  130.109   63.601 24.77148 87.97206 
1 1 1   25   18    4 o  209.271   57.350  118.863   54.464  107.414   58.733  189.134  145.515  199.486   65.382  219.057   94.240 -19.57152 114.6992 
1 1 1   25   18    5 o  136.630   45.456  -3.6797   45.916  -6.0245   49.844   9.4617  118.000  114.005   51.720  159.256   74.768 -45.25080 90.91288 
1 1 1   25   18    6 o  141.834   47.783 -22.3891   46.319 -40.1197   49.804   91.167  126.039   98.977   47.093  184.691   83.156 -85.71370 95.56501 
1 1 1   25   18    7 o  163.125   56.183 -29.7410  115.245 -54.9124  172.923  -9.6272  154.577  161.756   79.431  164.494   79.477 -2.737640 112.3654 
1 1 1   25   19    0 o  182.430   67.609   91.486   63.954   91.486   63.954   0.0000   0.0000  182.430   67.609  ?   ?       ?      ? 
1 1 1   25   19    1 o  149.296   63.891   40.947   66.255   40.947   66.255   0.0000   0.0000  149.296   63.891  ?   ?       ?      ? 
1 1 1   25   19    2 o  180.103   47.667   91.242   59.423  142.408   63.491 -270.0741  168.719  226.087   67.106  134.120   67.715 91.96680 95.33437 
1 1 1   26    0    0 o  207.458   20.076   89.673   21.764   89.673   21.764   89.673   21.764  207.458   28.392  207.458   28.392 0.000000 0.000000 
1 1 1   26    0    1 o  282.194   19.388  161.763   29.541  161.763   29.541  161.763   29.541  282.194   27.419  282.194   27.419 0.000000 0.000000 
1 1 1   26    0    2 o  120.738   31.770   39.108   19.691   39.108   19.691   39.108   19.691  120.738   44.930  120.738   44.930 -0.000000 0.000000 
1 1 1   26    0    3 o  212.159   20.699   93.957   22.921   93.957   22.921   93.957   22.921  212.159   29.273  212.159   29.273 -0.000000 0.000000 
1 1 1   26    0    4 o  349.265   18.605  245.059   35.393  245.059   35.393  245.059   35.393  349.265   26.311  349.265   26.311 0.000000 0.000000 
1 1 1   26    0    5 o  480.721   19.148  461.415   50.432  461.415   50.432  461.415   50.432  480.721   27.080  480.721   27.080 0.000000 0.000000 
1 1 1   26    0    6 o  539.041   29.057  594.941   85.287  594.941   85.287  594.941   85.287  539.041   41.093  539.041   41.093 0.000000 0.000000 
1 1 1   26    0    7 o   47.085   19.756   4.8826   8.9235   4.8826   8.9235   4.8826   8.9235   47.085   27.939   47.085   27.939 -0.000000 0.000000 
1 1 1   26    0    8 o   40.788   17.682   2.7497   7.6420   2.7497   7.6420   2.7497   7.6420   40.788   25.006   40.788   25.006 0.000000 0.000000 
1 1 1   26    0    9 o   50.648   20.058   6.8901   8.4233   6.8901   8.4233   6.8901   8.4233   50.648   28.366   50.648   28.366 -0.000000 0.000000 
1 1 1   26    0   10 o  183.523   38.500   83.999   33.924   83.999   33.924   83.999   33.924  183.523   54.448  183.523   54.448 0.000000 0.000000 
1 1 1   26    0   11 o  186.456   77.574  128.029  135.544  128.029  135.544  128.029  135.544  186.456  109.705  186.456  109.705 0.000000 0.000000 
1 1 1   26    0   12 o   77.643   34.123   9.9539   29.410   9.9539   29.410   9.9539   29.410   77.643   48.257   77.643   48.257 -0.000000 0.000000 
1 1 1   26    0   13 o  115.885   56.328 -42.7218  117.540 -42.7218  117.540 -42.7218  117.540  115.885   79.660  115.885   79.660 0.000000 0.000000 
1 1 1   26    0   14 o  162.891   43.929   74.806   37.201   74.806   37.201   74.806   37.201  162.891   62.125  162.891   62.125 -0.000000 0.000000 
1 1 1   26    0   15 o  312.863   32.113  212.447   52.044  212.447   52.044  212.447   52.044  312.863   45.415  312.863   45.415 0.000000 0.000000 
1 1 1   26    0   16 o  130.087   47.194   55.504   43.066   55.504   43.066   55.504   43.066  130.087   66.742  130.087   66.742 0.000000 0.000000 
1 1 1   26    0   17 o  224.728   45.250  129.542   48.628  129.542   48.628  129.542   48.628  224.728   63.993  224.728   63.993 0.000000 0.000000 
1 1 1   26    0   18 o  227.797   45.010  132.671   48.962  132.671   48.962  132.671   48.962  227.797   63.654  227.797   63.654 0.000000 0.000000 
1 1 1   26    1    0 o  933.697   25.360  1779.82   92.387  1754.34  129.149  1806.54  132.215  927.045   35.699  940.350   36.030 -13.30493 50.72062 
1 1 1   26    1    1 o  250.272   21.091  128.165   19.984  135.830   25.845  116.771   31.513  260.805   25.394  239.740   33.683 21.06502 42.18282 
1 1 1   26    1    2 o  460.697   25.784  433.582   46.307  407.964   64.168  461.422   66.894  446.296   36.844  475.098   36.080 -28.80212 51.56793 
1 1 1   26    1    3 o  200.050   18.722   80.116   14.616   79.847   20.614   80.387   20.726  199.719   26.449  200.382   26.505 -0.6629791 37.44366 
1 1 1   26    1    4 o  192.623   19.347   74.778   14.420   85.918   20.438   63.736   20.349  207.366   25.257  177.880   29.315 29.48575 38.69446 
1 1 1   26    1    5 o  313.448   17.568  195.527   21.440  178.662   29.420  214.630   31.311  298.976   25.216  327.920   24.468 -28.94397 35.13571 
1 1 1   26    1    6 o  232.539   24.474  112.333   19.298  110.480   36.139  113.072   22.824  227.143   42.328  237.935   24.581 -10.79184 48.94790 
1 1 1   26    1    7 o  136.775   29.136   38.345   13.905   38.921   15.120   35.188   35.403  136.493   29.265  137.056   50.391 -0.5630341 58.27224 
1 1 1   26    1    8 o  172.435   28.245   54.083   15.379   47.681   17.005   82.841   36.040  151.199   29.879  193.671   47.942 -42.47235 56.49041 
1 1 1   26    1    9 o  263.152   24.281  141.655   21.915  141.688   25.580  141.564   42.489  266.170   24.627  260.135   41.855 6.034546 48.56251 
1 1 1   26    1   10 o  193.630   25.121   62.183   15.179   50.933   16.750  113.842   35.895  156.721   28.436  230.540   41.421 -73.81992 50.24246 
1 1 1   26    1   11 o  358.923   25.885  262.576   35.685  247.381   46.029  285.468   56.496  347.463   33.946  370.383   39.087 -22.92053 51.76986 
1 1 1   26    1   12 f  165.107   49.494   18.824   25.238   13.371   25.835  132.782  118.107  103.918   41.726  226.296   89.763 -122.3779 98.98704 
1 1 1   26    1   13 f  333.307   86.381  437.997  146.960  432.008  207.363  444.040  208.306  330.991  121.915  335.622  122.407 -4.630890 172.7622 
1 1 1   26    1   14 o  358.561   31.266  280.387   42.316  298.042   54.793  254.294   66.612  377.585   37.186  339.537   50.273 38.04785 62.53139 
1 1 1   26    1   15 o  245.241   35.463  154.635   34.661  225.948   45.501   56.038   53.502  328.817   35.460  161.665   61.426 167.1518 70.92599 
1 1 1   26    1   16 o  262.471   36.721  177.768   39.652  285.243   53.884   50.822   58.562  366.776   37.647  158.166   63.059 208.6103 73.44161 
1 1 1   26    1   17 f  128.545   56.284   10.763   53.841   0.0000   0.0000   10.763   53.841  ?   ?   128.545   56.284      ?      ? 
1 1 1   26    1   18 o  210.599   40.313  130.171   37.842  153.697   41.685   19.955   90.227  266.450   40.090  154.748   69.952 111.7020 80.62572 
1 1 1   26    1   19 o  211.843   52.251   59.576   45.998   13.133   50.530  284.214  111.130  126.311   54.932  297.375   88.899 -171.0646 104.5018 
1 1 1   26    2    0 f   97.213   21.407   18.134   9.8950   5.2687   14.633   28.973   13.431   76.672   31.183  117.754   29.337 -41.08220 42.81374 
1 1 1   26    2    1 o  198.483   22.222   81.418   16.424   84.664   21.446   76.815   25.539  205.622   26.727  191.344   35.510 14.27782 44.44437 
1 1 1   26    2    2 o   72.734   19.729   3.0617   7.8934   16.242   13.870  -3.2516   9.5995   92.868   31.795   52.600   23.366 40.26873 39.45755 
1 1 1   26    2    3 o  243.598   19.069  118.770   18.114  114.573   25.027  123.388   26.251  239.120   26.820  248.076   27.116 -8.955963 38.13896 
1 1 1   26    2    4 o  361.709   18.008  261.726   25.326  290.620   36.192  234.001   35.453  381.674   24.299  341.745   26.584 39.92865 36.01559 
1 1 1   26    2    5 o  353.840   18.467  251.491   25.398  274.539   35.730  227.952   36.109  370.758   24.695  336.922   27.463 33.83591 36.93331 
1 1 1   26    2    6 o  205.139   34.293   97.686   27.968  121.078   35.704   60.542   44.991  242.399   37.745  167.880   57.265 74.51968 68.58553 
1 1 1   26    2    7 o  170.163   30.869   49.834   15.589   44.138   16.781   85.690   42.102  145.185   30.585  195.142   53.630 -49.95734 61.73791 
1 1 1   26    2    8 o  250.351   22.894  102.607   18.259   87.263   20.072  176.201   43.958  208.915   24.620  291.786   38.605 -82.87054 45.78741 
1 1 1   26    2    9 o  322.810   22.989  192.414   24.983  174.974   28.314  253.728   53.089  295.797   24.529  349.824   38.889 -54.02631 45.97803 
1 1 1   26    2   10 o  118.543   29.570   8.7745   9.2625   5.4707   9.5296   65.242   39.397   65.752   25.675  171.333   53.275 -105.5811 59.13942 
1 1 1   26    2   11 o  373.680   27.897  289.529   39.532  284.535   50.214  297.669   64.112  372.239   34.568  375.120   43.796 -2.881622 55.79475 
1 1 1   26    2   12 o  165.548   46.409   29.398   12.416   28.546   12.483  108.512  120.298  116.663   27.812  214.433   88.553 -97.77034 92.81784 
1 1 1   26    2   13 o  218.186   37.776  111.576   30.206  117.451   35.280   95.444   58.457  237.106   38.129  199.266   65.224 37.83968 75.55149 
1 1 1   26    2   14 o  164.219   52.051   19.145   59.851   45.422  122.638   10.929   68.572  185.103   82.784  143.335   63.120 41.76863 104.1024 
1 1 1   26    2   15 o  301.372   36.287  264.817   46.436  436.206   60.024   9.3354   73.285  458.275   33.564  144.470   64.347 313.8046 72.57462 
1 1 1   26    2   16 o  177.107   66.056   75.527   61.241   0.0000   0.0000   75.527   61.241  ?   ?   177.107   66.056      ?      ? 
1 1 1   26    2   17 f  395.492   75.546  537.215  138.053  241.803  173.300  1050.24  228.377  241.202  103.279  549.783  110.283 -308.5810 151.0919 
1 1 1   26    2   18 o  138.700   45.706   42.916   28.688   42.916   28.688   0.0000   0.0000  138.700   45.706  ?   ?       ?      ? 
1 1 1   26    2   19 o  329.361   44.480  399.629   59.155  491.282   66.456   49.870  129.821  481.251   35.386  177.469   81.619 303.7820 88.96001 
1 1 1   26    2   20 o  281.664   43.279  276.751   50.331  327.855   55.525   41.274  119.188  391.988   36.298  171.339   78.580 220.6485 86.55852 
1 1 1   26    3    0 o  299.982   18.750  180.340   21.887  182.272   29.947  178.124   32.068  302.022   25.409  297.942   27.581 4.080597 37.50072 
1 1 1   26    3    1 o  303.792   19.162  187.046   22.431  213.599   31.128  158.363   32.352  327.245   24.375  280.339   29.573 46.90591 38.32369 
1 1 1   26    3    2 o  332.593   21.137  224.466   26.419  228.512   33.380  217.682   43.225  338.167   25.294  327.019   33.871 11.14877 42.27375 
1 1 1   26    3    3 o  226.303   25.357  114.557   20.133   75.375   31.499  141.620   26.179  186.395   44.009  266.211   25.200 -79.81508 50.71336 
1 1 1   26    3    4 o  438.896   24.788  354.205   36.038  322.485   40.550  473.391   78.604  401.385   25.888  476.407   42.280 -75.02243 49.57607 
1 1 1   26    3    5 o  348.151   24.162  221.087   27.808  200.377   31.239  300.126   61.028  316.518   25.291  379.784   41.177 -63.26596 48.32407 
1 1 1   26    3    6 o  189.971   34.738   68.047   23.958   51.230   27.940  114.764   46.569  153.931   44.192  226.010   53.610 -72.07918 69.47649 
1 1 1   26    3    7 o  204.306   25.765   42.512   13.718   30.101   14.350  174.169   46.741  119.712   30.601  288.901   41.459 -169.1888 51.52918 
1 1 1   26    3    8 o  221.195   33.039  109.160   20.785  110.948   22.590   99.294   53.063  235.558   24.574  206.833   61.339 28.72578 66.07845 
1 1 1   26    3    9 o  133.724   29.864   40.150   13.988   43.760   14.607   0.2576   48.559  145.499   26.710  121.949   53.423 23.55041 59.72760 
1 1 1   26    3   10 o  210.448   33.710  123.151   21.549  135.124   23.161   46.041   58.778  260.269   22.804  160.628   63.447 99.64140 67.42070 
1 1 1   26    3   11 o  333.872   37.343  267.040   41.829  306.982   51.500  189.613   71.703  386.754   34.122  280.990   66.436 105.7637 74.68661 
1 1 1   26    3   12 o  145.384   42.176   27.000   11.984   27.077   12.049   19.827  115.918  113.630   27.475  177.138   79.752 -63.50843 84.35223 
1 1 1   26    3   13 o  247.158   38.376  177.475   37.400  223.282   43.350   44.120   73.966  329.095   33.755  165.221   68.931 163.8733 76.75204 
1 1 1   26    3   14 o  126.410   39.423   14.552   10.643   14.312   10.713   32.790   93.309   85.165   27.924  167.655   73.735 -82.48926 78.84515 
1 1 1   26    3   15 o  145.091   47.547  -1.5028   51.382 -17.9221  123.023   1.9667   56.551  162.653   76.356  127.529   56.680 35.12354 95.09393 
1 1 1   26    3   16 o  135.658   43.308   40.438   25.873   40.438   25.873   0.0000   0.0000  135.658   43.308  ?   ?       ?      ? 
1 1 1   26    3   17 o  255.153  102.829  265.736  157.522  265.736  157.522   0.0000   0.0000  255.153  102.829  ?   ?       ?      ? 
1 1 1   26    3   18 o  173.140   46.448   33.624   23.853   24.416   24.647  169.774   94.774  113.134   41.962  233.146   82.879 -120.0125 92.89627 
1 1 1   26    3   19 o  196.450   41.877   86.850   31.123   86.850   31.123   0.0000   0.0000  196.450   41.877  ?   ?       ?      ? 
1 1 1   26    3   20 o  235.436   43.960  167.252   38.180  179.184   40.558   74.370  113.162  290.029   35.835  180.842   80.286 109.1873 87.91985 
1 1 1   26    3   21 o  137.581   45.817   42.688   28.800   42.688   28.800   0.0000   0.0000  137.581   45.817  ?   ?       ?      ? 
1 1 1   26    3   22 o  407.675   39.676  364.626   63.121  364.626   63.121   0.0000   0.0000  407.675   39.676  ?   ?       ?      ? 
1 1 1   26    4    0 o  420.126   18.639  353.784   30.497  357.875   41.966  349.205   44.394  423.082   25.418  417.169   27.269 5.913269 37.27862 
1 1 1   26    4    1 o  272.529   19.570  150.137   20.621  158.255   27.861  140.303   30.666  281.347   25.376  263.711   29.799 17.63568 39.13945 
1 1 1   26    4    2 o  151.453   47.541   26.401   15.926   27.078   15.996 -49.7802  169.770  114.190   33.629  188.715   88.936 -74.52496 95.08121 
1 1 1   26    4    3 o  264.751   33.957  144.654   31.607  134.755   37.601  168.496   58.355  255.846   37.660  273.657   56.515 -17.81038 67.91331 
1 1 1   26    4    4 o  415.426   28.426  336.587   44.459  279.635   54.751  446.837   76.178  368.212   38.103  462.639   42.194 -94.42627 56.85254 
1 1 1   26    4    5 o  290.412   30.710  168.308   25.637  162.635   28.135  196.060   62.228  285.100   25.288  295.724   55.972 -10.62375 61.41928 
1 1 1   26    4    6 o  259.266   35.515  144.719   31.592  142.327   37.135  150.985   60.112  263.233   36.150  255.298   61.144 7.933990 71.03058 
1 1 1   26    4    7 o  198.385   33.090   63.654   17.000   57.568   17.893  120.121   54.500  169.248   27.091  227.522   60.381 -58.27382 66.18005 
1 1 1   26    4    8 o  307.282   27.405  165.144   24.609  151.283   26.604  247.329   64.781  274.965   24.793  339.598   48.882 -64.63309 54.81046 
1 1 1   26    4    9 o  220.041   39.061   96.099   20.038   94.077   20.785  122.758   75.468  216.822   24.564  223.260   74.159 -6.438477 78.12156 
1 1 1   26    4   10 o  548.612   67.001  565.149   53.753  544.407   54.707  1143.89  288.982  520.020   26.958  577.203  131.261 -57.18237 134.0012 
1 1 1   26    4   11 o  139.540   32.632   43.044   14.714   46.296   15.063 -24.7509   68.779  149.554   26.794  129.525   59.510 20.02821 65.26384 
1 1 1   26    4   12 o  208.198   46.408   79.516   18.180   78.600   18.382  120.298  122.686  198.038   23.786  218.357   89.717 -20.31915 92.81618 
1 1 1   26    4   13 o  163.986   44.732   43.276   20.879   42.476   21.282   63.853  107.888  140.025   37.984  187.947   81.000 -47.92210 89.46362 
1 1 1   26    4   14 o  250.551   39.535  183.316   26.999  194.669   28.524   85.553   83.700  311.128   23.493  189.974   75.499 121.1535 79.06949 
1 1 1   26    4   15 o  281.806   33.651  271.627   32.611  350.719   37.463   24.228   66.258  417.374   23.001  146.237   63.249 271.1365 67.30183 
1 1 1   26    4   16 o  219.165   84.994  146.764  103.882   0.0000   0.0000  146.764  103.882  ?   ?   219.165   84.994      ?      ? 
1 1 1   26    4   17 o  248.398   34.772  130.197   33.706  130.197   33.706   0.0000   0.0000  248.398   34.772  ?   ?       ?      ? 
1 1 1   26    4   18 o  202.564   48.803   84.217   27.909   80.379   28.668  153.859  122.116  189.986   39.935  215.142   89.063 -25.15662 97.60652 
1 1 1   26    4   19 o  180.009   39.593   87.966   28.615   96.659   29.416 -65.2185  123.480  213.433   35.317  146.585   70.875 66.84801 79.18697 
1 1 1   26    4   20 o  427.229   37.283  391.862   62.160  391.862   62.160   0.0000   0.0000  427.229   37.283  ?   ?       ?      ? 
1 1 1   26    4   21 o  100.744   36.526   19.487   18.508   19.487   18.508   0.0000   0.0000  100.744   36.526  ?   ?       ?      ? 
1 1 1   26    4   22 o  538.537   40.559  640.775   85.238  640.775   85.238   0.0000   0.0000  538.537   40.559  ?   ?       ?      ? 
1 1 1   26    5    0 o  288.375   33.441  179.163   27.324  179.599   30.108  177.125   65.057  299.527   25.758  277.222   61.722 22.30484 66.88146 
1 1 1   26    5    1 o  145.621   32.216   49.981   18.023   56.504   18.966 -10.7795   57.883  164.787   30.621  126.456   56.691 38.33083 64.43251 
1 1 1   26    5    2 o  433.456   64.037  394.788   44.029  385.876   44.915  614.188  222.846  438.798   26.230  428.113  125.359 10.68491 128.0736 
1 1 1   26    5    3 o  394.092   29.831  351.166   37.507  378.194   43.441  272.003   74.345  434.635   25.612  353.549   53.886 81.08591 59.66256 
1 1 1   26    5    4 o  420.800   33.046  390.092   51.648  462.627   68.604  295.202   78.467  474.045   37.085  367.555   54.706 106.4900 66.09113 
1 1 1   26    5    5 o  526.808   26.821  533.688   46.749  500.792   52.868  651.630  100.107  499.233   27.137  554.383   46.273 -55.15042 53.64289 
1 1 1   26    5    6 o  293.634   29.117  100.712   20.807   83.644   21.610  317.735   77.057  203.995   27.145  383.273   51.519 -179.2779 58.23328 
1 1 1   26    5    7 o  261.731   34.159   95.386   26.657   69.990   28.658  258.434   72.614  179.805   41.659  343.658   54.146 -163.8530 68.31747 
1 1 1   26    5    8 f  284.414   38.744  204.639   28.898  215.016   31.283  144.263   75.458  327.845   24.452  240.984   73.530 86.86171 77.48872 
1 1 1   26    5    9 o  281.574   41.273  213.559   29.967  225.126   32.003  131.239   85.379  335.354   24.455  227.794   78.840 107.5597 82.54531 
1 1 1   26    5   10 o  116.274   30.159   28.460   13.801   28.460   13.801   0.0000   0.0000  116.274   30.159  ?   ?       ?      ? 
1 1 1   26    5   11 o  174.633   34.676   74.165   18.094   77.875   18.772   25.550   67.953  197.043   24.413  152.223   64.912 44.81966 69.35123 
1 1 1   26    5   12 o  114.047   31.174   23.056   11.848   25.319   12.043 -45.1314   66.104  109.728   28.025  118.366   55.695 -8.637688 62.34858 
1 1 1   26    5   13 f  138.131   36.967   34.696   13.065   36.173   13.162 -65.0092  108.135  131.549   26.554  144.713   69.002 -13.16397 73.93483 
1 1 1   26    5   14 o  232.816   23.257  109.074   21.130  109.074   21.130   0.0000   0.0000  232.816   23.257  ?   ?       ?      ? 
1 1 1   26    5   15 o  183.199   38.659   77.598   17.610   78.800   17.942   46.009   92.001  197.665   23.260  168.734   73.736 28.93086 77.31746 
1 1 1   26    5   16 o  145.273   38.867   41.098   20.062   42.544   20.651   16.847   84.569  138.946   37.302  151.600   68.200 -12.65454 77.73460 
1 1 1   26    5   17 o  462.871   61.137  831.819   69.169  869.450   72.464  446.035  232.017  649.650   28.583  276.092  118.886 373.5586 122.2742 
1 1 1   26    5   18 o  166.494   52.010   48.594   63.953   60.024   75.104   18.448  121.974  166.672   69.491  166.316   77.401 0.3567505 104.0191 
1 1 1   26    5   19 o  214.121   43.313  133.053   31.761  139.500   32.620   15.445  139.323  257.980   32.401  170.262   80.339 87.71753 86.62700 
1 1 1   26    5   20 o  158.504   39.840   59.866   23.141   64.268   23.549 -63.8006  124.824  170.739   36.453  146.270   70.852 24.46951 79.67955 
1 1 1   26    5   21 o  205.441   39.921  137.145   33.960  150.282   34.569 -225.7896  181.694  266.421   33.249  144.462   72.590 121.9595 79.84245 
1 1 1   26    6    0 o  620.168   26.738  696.678   54.777  621.190   61.403  990.940  121.231  555.372   28.332  684.964   45.354 -129.5916 53.47583 
1 1 1   26    6    1 o  330.390   29.779  182.095   27.596  164.545   29.504  304.745   77.997  286.418   26.397  374.361   53.389 -87.94345 59.55850 
1 1 1   26    6    2 o  247.789   54.439  101.967   23.744   99.158   24.015  224.317  158.491  222.021   27.718  273.556  105.291 -51.53551 108.8781 
1 1 1   26    6    3 o  283.066   57.148  106.459   24.120  101.006   24.370  368.702  169.011  224.024   27.875  342.107  110.844 -118.0824 114.2953 
1 1 1   26    6    4 o  207.577   37.779  108.794   23.285  114.506   24.512   55.978   74.534  238.906   26.292  176.249   70.837 62.65617 75.55887 
1 1 1   26    6    5 o  151.448   40.807   40.052   25.833   40.222   27.688   38.909   71.777  138.552   44.861  164.344   68.178 -25.79221 81.61367 
1 1 1   26    6    6 o  438.089   32.432  403.534   41.491  401.932   45.669  411.108   99.293  447.536   26.149  428.642   59.360 18.89453 64.86404 
1 1 1   26    6    7 o  109.551   36.812   2.4767   13.538   2.9871   13.709 -17.6235   86.032   71.453   29.732  147.649   67.354 -76.19657 73.62466 
1 1 1   26    6    8 o  129.271   43.811   10.351   12.120   10.531   12.170 -11.7192  134.912   80.015   29.524  178.526   82.499 -98.51164 87.62241 
1 1 1   26    6    9 o  220.473   38.786  121.320   23.184  125.400   24.308   80.218   77.153  250.066   24.909  190.881   73.464 59.18440 77.57228 
1 1 1   26    6   10 o  286.602   54.396  153.742   25.990  149.639   26.365  294.833  154.594  273.069   24.741  300.135  105.941 -27.06534 108.7916 
1 1 1   26    6   11 o  124.941   32.742   28.685   13.461   30.508   13.786  -8.5356   62.282  120.198   29.590  129.684   58.416 -9.486092 65.48311 
1 1 1   26    6   12 o  126.352   29.202   36.931   14.088   41.785   14.612 -27.0707   53.056  141.401   27.471  111.302   51.540 30.09950 58.40367 
1 1 1   26    6   13 o  243.372   43.404  175.094   26.814  180.822   27.454   56.570  124.884  299.804   23.466  186.940   83.577 112.8638 86.80858 
1 1 1   26    6   14 o  111.957   31.619   21.509   11.017   23.448   11.125 -77.3292   79.440  105.356   26.949  118.559   57.208 -13.20259 63.23753 
1 1 1   26    6   15 o   96.025   30.107   10.422   8.7376   11.369   8.8191 -40.1362   64.432   76.319   25.351  115.731   54.616 -39.41232 60.21312 
1 1 1   26    6   16 o  145.295   39.645   28.825   11.975   28.079   12.087   68.665   88.338  114.938   27.345  175.652   74.425 -60.71359 79.28902 
1 1 1   26    6   17 o  161.566   43.295   50.617   21.550   50.945   21.935   41.540  115.460  151.687   37.313  171.444   78.139 -19.75665 86.59091 
1 1 1   26    6   18 o  154.990   37.652   51.301   14.473   52.813   14.570 -60.1109  125.063  161.530   23.115  148.450   71.668 13.08020 75.30362 
1 1 1   26    6   19 o  119.787   39.606   12.127   14.433   12.490   14.555  -9.3470  111.875   85.794   32.162  153.780   72.388 -67.98607 79.21116 
1 1 1   26    6   20 o  200.274   89.258  131.930  141.250   0.0000   0.0000  131.930  141.250  ?   ?   200.274   89.258      ?      ? 
1 1 1   26    6   21 o  145.248   39.910   46.016   20.898   50.119   21.025 -291.9289  190.806  149.958   36.314  140.537   71.080 9.420517 79.81900 
1 1 1   26    7    0 o  125.177   34.380   27.732   16.077   31.264   16.467 -44.1946   74.303  121.834   33.563  128.521   60.012 -6.687561 68.75980 
1 1 1   26    7    1 o  194.763   40.488   62.860   19.415   58.887   20.080  119.847   76.051  167.798   31.830  221.729   74.458 -53.93042 80.97627 
1 1 1   26    7    2 o  197.885   39.014   89.452   21.507   91.590   22.333   62.162   79.805  213.528   26.802  182.242   73.280 31.28575 78.02790 
1 1 1   26    7    3 o  327.216   56.388  296.725   37.759  300.059   38.582  221.055  183.803  386.967   25.549  267.465  109.844 119.5025 112.7758 
1 1 1   26    7    4 o  137.524   40.089   23.075   15.292   22.835   15.532   30.629   87.210  106.030   33.524  169.019   72.834 -62.98899 80.17869 
1 1 1   26    7    5 o  216.336   53.920   50.000   18.697   46.742   18.852  244.611  145.705  148.629   33.326  284.044  102.561 -135.4151 107.8395 
1 1 1   26    7    6 o  288.434   46.498  178.542   41.057  169.027   44.994  225.875  100.356  284.485   40.529  292.383   83.699 -7.898376 92.99541 
1 1 1   26    7    7 f  181.968   41.046   81.879   32.063   94.461   34.653   7.0217   84.524  208.103   44.044  155.834   69.275 52.26865 82.09136 
1 1 1   26    7    8 f  247.742   56.298   82.227   26.573   75.424   26.977  304.082  154.062  187.660   38.138  307.823  105.941 -120.1628 112.5967 
1 1 1   26    7    9 o  227.857   37.927  107.333   21.811  105.032   22.937  129.064   70.484  228.510   25.721  227.205   71.359 1.304291 75.85350 
1 1 1   26    7   10 o  241.964   33.973  182.025   27.738  218.648   31.023   36.031   61.939  330.104   24.082  153.824   63.534 176.2802 67.94510 
1 1 1   26    7   11 o  139.342   42.679   21.426   13.134   21.309   13.220   30.281  114.816  101.420   30.740  177.264   79.630 -75.84399 85.35769 
1 1 1   26    7   12 o   86.916   32.305   12.693   14.623   12.693   14.623   0.0000   0.0000   86.916   32.305  ?   ?       ?      ? 
1 1 1   26    7   13 o  179.907   25.716   65.643   18.055   65.643   18.055   0.0000   0.0000  179.907   25.716  ?   ?       ?      ? 
1 1 1   26    7   14 o  208.056   35.095  143.551   24.203  155.653   24.897 -64.3624  103.194  277.842   22.962  138.270   66.327 139.5719 70.18913 
1 1 1   26    7   15 o  157.655   34.502   59.365   16.265   62.139   16.598  -7.7292   81.633  175.058   24.297  140.251   64.584 34.80650 69.00312 
1 1 1   26    7   16 o  213.829   34.721  159.943   25.352  173.783   26.013 -101.8296  113.134  293.287   22.729  134.371   65.618 158.9159 69.44288 
1 1 1   26    7   17 o  249.423   41.427  214.477   29.785  224.430   30.419 -16.8098  146.638  332.857   23.418  165.989   79.475 166.8678 82.85379 
1 1 1   26    7   18 o  163.792   38.402   59.228   15.495   60.575   15.631 -17.1156  117.679  172.944   23.160  154.639   73.229 18.30487 76.80450 
1 1 1   26    7   19 o  107.680   37.629   6.2757   7.5598   6.3234   7.5787  -3.2409  107.109   62.564   23.256  152.796   71.574 -90.23125 75.25790 
1 1 1   26    7   20 o  110.305   34.014   17.340   9.0545   18.306   9.0792 -159.8681  122.942   93.052   24.621  127.558   63.415 -34.50580 68.02721 
1 1 1   26    8    0 o  154.859   40.333   39.740   17.853   39.600   18.267   42.711   84.294  136.542   34.321  173.177   73.001 -36.63524 80.66634 
1 1 1   26    8    1 o  303.218   45.115  218.260   32.390  219.842   34.116  203.800  103.123  330.837   26.425  275.600   86.275 55.23724 90.23088 
1 1 1   26    8    2 o  172.832   49.352   35.141   17.433   33.959   17.579  105.320  135.445  126.640   34.593  219.023   92.443 -92.38335 98.70327 
1 1 1   26    8    3 f  153.520   47.009   26.569   16.519   26.501   16.635   31.429  140.015  113.113   34.526  193.927   87.449 -80.81383 94.01824 
1 1 1   26    8    4 o  412.315   62.349  300.048   39.119  287.958   39.765  663.241  217.948  378.296   26.936  446.334  121.755 -68.03845 124.6986 
1 1 1   26    8    5 o  291.589   43.508  202.989   31.243  205.234   33.081  184.456   95.048  319.438   26.538  263.739   82.872 55.69888 87.01697 
1 1 1   26    8    6 o  239.863   42.852  122.667   24.965  120.972   25.967  143.383   90.769  244.995   27.160  234.731   81.287 10.26425 85.70461 
1 1 1   26    8    7 o  358.528   57.848  392.314   44.512  399.635   45.704  257.495  196.139  445.566   26.285  271.489  112.671 174.0767 115.6965 
1 1 1   26    8    8 o  212.348   92.824   94.952  145.902   0.0000   0.0000   94.952  145.902  ?   ?   212.348   92.824      ?      ? 
1 1 1   26    8    9 o  216.381   53.375   45.107   17.898   41.294   18.044  277.676  140.936  139.019   33.627  293.743  101.314 -154.7233 106.7492 
1 1 1   26    8   10 o  172.634   39.752   67.792   18.853   70.554   19.075 -49.2390  124.160  186.850   26.160  158.418   75.077 28.43185 79.50359 
1 1 1   26    8   11 o  194.013   40.518   97.855   21.540  101.531   21.858 -25.9486  126.857  224.249   24.977  163.777   77.090 60.47227 81.03542 
1 1 1   26    8   12 o  166.709   73.105   39.184   91.135   0.0000   0.0000   39.184   91.135  ?   ?   166.709   73.105      ?      ? 
1 1 1   26    8   13 o  131.751   37.671   26.022   13.296   26.383   13.449   10.362   88.546  111.229   30.204  152.272   69.023 -41.04292 75.34233 
1 1 1   26    8   14 o  208.852   26.332   89.000   21.461   89.000   21.461   0.0000   0.0000  208.852   26.332  ?   ?       ?      ? 
1 1 1   26    8   15 o  177.006   26.678   64.100   18.428   64.100   18.428   0.0000   0.0000  177.006   26.678  ?   ?       ?      ? 
1 1 1   26    8   16 o  243.101   38.998  207.243   29.623  221.147   30.486 -27.8776  125.365  330.307   23.651  155.895   74.323 174.4122 77.99587 
1 1 1   26    8   17 o  194.534   38.215  109.596   21.434  114.279   21.760 -42.8357  124.151  237.454   23.483  151.614   72.734 85.83975 76.43069 
1 1 1   26    8   18 o  179.335   36.654   93.423   26.885  104.402   27.655 -95.6705  114.768  223.344   31.729  135.326   66.086 88.01819 73.30803 
1 1 1   26    8   19 o  175.727   33.593   92.705   18.849   98.787   19.181 -78.5202  101.771  220.939   22.246  130.514   63.396 90.42421 67.18597 
1 1 1   26    8   20 o  138.848   42.117   20.369   10.616   19.701   10.667   89.968  108.859   96.259   27.195  181.438   79.723 -85.17886 84.23367 
1 1 1   26    9    0 o  699.724   38.641  991.056   75.430  952.862   81.585  1215.92  197.958  684.984   30.521  714.464   71.000 -29.47998 77.28252 
1 1 1   26    9    1 f  247.693   36.951   23.417   15.375   15.446   15.548  375.817  103.385   93.144   33.520  402.242   65.863 -309.0984 73.90194 
1 1 1   26    9    2 o  178.053   43.633   44.749   18.033   41.860   18.401  114.826   90.623  140.282   33.973  215.824   80.382 -75.54156 87.26619 
1 1 1   26    9    3 o  132.514   44.019   14.145   13.681   14.566   13.746 -29.8098  140.465   89.391   31.586  175.637   82.176 -86.24641 88.03705 
1 1 1   26    9    4 o  153.803   42.076   44.488   19.387   47.511   19.551 -132.6141  149.650  149.386   34.267  158.220   76.859 -8.834442 84.15168 
1 1 1   26    9    5 o  275.541   55.870  157.693   29.394  154.828   29.838  251.946  171.118  276.868   27.616  274.213  108.274 2.655090 111.7405 
1 1 1   26    9    6 o  171.215   43.400   59.611   20.213   61.797   20.420 -46.9301  142.556  171.570   31.665  170.859   80.818 0.7113342 86.79979 
1 1 1   26    9    7 o  114.795   39.052   9.2440   13.163   10.583   13.231 -120.7271  130.337   81.635   30.653  147.954   71.839 -66.31861 78.10492 
1 1 1   26    9    8 o  198.504   47.582   73.431   21.230   72.920   21.484   94.640  138.387  189.294   29.084  207.714   90.611 -18.41997 95.16373 
1 1 1   26    9    9 o  130.314   63.209 -103.1390  100.210   0.0000   0.0000 -103.1390  100.210  ?   ?   130.314   63.209      ?      ? 
1 1 1   26    9   10 o  182.582   46.127   80.046   34.549   86.323   35.957   4.5239  124.714  194.701   47.699  170.463   78.965 24.23730 92.25311 
1 1 1   26    9   11 o  156.984   35.843   57.972   18.007   61.735   18.317 -50.3396   98.272  174.121   26.957  139.847   66.425 34.27351 71.68697 
1 1 1   26    9   12 f  177.368   41.684   83.269   33.724   96.190   35.793 -18.9144  100.655  205.691   45.771  149.044   69.679 56.64664 83.36765 
1 1 1   26    9   13 o   98.316   29.989   13.372   12.417   17.069   12.575 -130.6434   78.497   91.993   30.259  104.639   51.785 -12.64629 59.97722 
1 1 1   26    9   14 o  245.199   39.815  207.527   31.219  222.264   32.246 -12.9666  124.728  330.553   24.998  159.844   75.604 170.7097 79.62936 
1 1 1   26    9   15 o  120.962   35.213   24.023   12.822   25.623   12.930 -69.7701   98.985  109.429   29.575  132.496   63.914 -23.06691 70.42508 
1 1 1   26    9   16 o   87.708   28.781   15.495   11.380   15.495   11.380   0.0000   0.0000   87.708   28.781  ?   ?       ?      ? 
1 1 1   26    9   17 o  172.456   27.424   61.156   18.456   61.156   18.456   0.0000   0.0000  172.456   27.424  ?   ?       ?      ? 
1 1 1   26    9   18 o  535.213   27.725  590.811   57.906  590.811   57.906   0.0000   0.0000  535.213   27.725  ?   ?       ?      ? 
1 1 1   26    9   19 o  127.492   42.309 -41.3769   57.578 -156.3309   96.171   22.850   71.885  111.579   55.572  143.405   63.812 -31.82555 84.61771 
1 1 1   26   10    0 o  420.189   68.336  465.116   50.826  460.482   51.912  572.395  249.794  477.257   27.873  363.121  133.799 114.1361 136.6717 
1 1 1   26   10    1 o  304.897   27.388  187.730   32.587  187.730   32.587   0.0000   0.0000  304.897   27.388  ?   ?       ?      ? 
1 1 1   26   10    2 o  486.699   27.549  478.663   52.323  478.663   52.323   0.0000   0.0000  486.699   27.549  ?   ?       ?      ? 
1 1 1   26   10    3 o  334.471   26.479  225.559   34.561  225.559   34.561   0.0000   0.0000  334.471   26.479  ?   ?       ?      ? 
1 1 1   26   10    4 o  249.225   54.515  108.846   25.672  105.187   26.016  244.701  158.530  227.504   29.303  270.946  105.018 -43.44162 109.0300 
1 1 1   26   10    5 o  271.661   54.477  155.448   29.958  152.137   30.499  246.203  159.691  273.759   28.549  269.562  105.146 4.197021 108.9530 
1 1 1   26   10    6 o  180.800   46.508   58.721   19.841   58.739   20.051   57.866  137.448  166.781   31.971  194.819   87.348 -28.03743 93.01511 
1 1 1   26   10    7 o  144.122   40.862   34.988   16.400   36.559   16.539 -57.1845  126.691  130.793   32.537  157.451   74.968 -26.65733 81.72485 
1 1 1   26   10    8 o  200.952   45.782   84.125   22.297   84.047   22.641   86.614  128.245  202.982   28.583  198.922   86.989 4.060257 91.56442 
1 1 1   26   10    9 o  292.866   49.507  269.885   36.976  277.727   38.027  133.947  158.326  369.850   26.347  215.882   95.445 153.9687 99.01501 
1 1 1   26   10   10 o  136.417   36.627   37.800   18.554   41.815   18.898 -69.5036   97.698  138.714   34.931  134.119   64.389 4.594513 73.25374 
1 1 1   26   10   11 o  195.498   41.581  110.994   40.423  138.655   44.057 -36.2317  101.642  246.650   47.495  144.346   68.266 102.3041 83.16299 
1 1 1   26   10   12 o  152.109   40.904   52.198   32.988   65.512   35.598 -28.7312   87.766  167.011   50.403  137.208   64.437 29.80319 81.80839 
1 1 1   26   10   13 o  239.574   38.976  197.428   30.876  213.067   31.967 -20.0790  119.213  323.450   25.326  155.699   73.724 167.7517 77.95216 
1 1 1   26   10   14 o  124.279   37.478   22.909   15.193   24.326   15.370 -37.6451  100.458  107.140   33.270  141.419   67.168 -34.27923 74.95660 
1 1 1   26   10   15 o  164.104   41.383   57.486   19.331   58.903   19.560  -1.8495  126.594  165.877   31.367  162.330   76.592 3.546661 82.76577 
1 1 1   26   10   16 o  263.672   50.581  223.094   48.852  231.809   50.949  123.707  172.056  326.538   39.982  200.806   92.925 125.7316 101.1612 
1 1 1   26   10   17 o  135.024   44.225   12.378   30.656   12.038   31.707   17.251  120.030  106.929   44.908  163.118   76.203 -56.18906 88.45088 
1 1 1   26   10   18 o  142.585   40.010   44.143   31.652   57.648   33.099 -100.2416  108.223  155.900   48.890  129.270   63.349 26.62988 80.02071 
1 1 1   26   11    0 o  544.204   80.968  688.114   64.735  665.952   65.853  1324.16  352.794  571.773   29.514  516.634  159.225 55.13879 161.9367 
1 1 1   26   11    1 o  320.114   27.874  207.816   34.821  207.816   34.821   0.0000   0.0000  320.114   27.874  ?   ?       ?      ? 
1 1 1   26   11    2 o  149.935   50.607   9.3110   12.843   8.4868   12.886  130.775  156.440   77.528   29.971  222.342   96.675 -144.8145 101.2147 
1 1 1   26   11    3 o  391.037   27.827  310.341   42.463  310.341   42.463   0.0000   0.0000  391.037   27.827  ?   ?       ?      ? 
1 1 1   26   11    4 o  136.504   40.412   8.6067   12.503   6.3587   12.658   98.714   80.142   73.685   29.336  199.324   75.312 -125.6395 80.82392 
1 1 1   26   11    5 o  253.393   51.797  151.291   30.380  150.230   30.970  178.339  156.397  271.217   29.261  235.568   99.376 35.65004 103.5942 
1 1 1   26   11    6 o  396.099   62.598  439.727   49.319  437.620   50.761  475.245  208.402  463.381   28.071  328.816  122.008 134.5648 125.1960 
1 1 1   26   11    7 o  221.718   44.211  130.796   28.215  134.541   28.969   61.686  124.448  256.370   28.956  187.067   83.547 69.30280 88.42220 
1 1 1   26   11    8 o  178.024   44.583   58.363   20.143   57.405   20.477   87.066  112.119  163.613   33.205  192.434   82.752 -28.82060 89.16576 
1 1 1   26   11    9 o  160.499   39.643   56.631   20.535   59.075   20.959  -1.9502  102.626  165.697   33.564  155.301   71.832 10.39572 79.28653 
1 1 1   26   11   10 o  180.725   36.357   92.715   23.732  100.922   24.353 -62.2361  105.818  221.764   28.140  139.687   67.048 82.07753 72.71391 
1 1 1   26   11   11 o  172.325   42.667   61.739   22.400   61.599   22.971   64.448  101.127  167.779   36.150  176.871   77.299 -9.091705 85.33416 
1 1 1   26   11   12 o  175.460   43.928   80.944   39.340   97.544   43.481   6.0380   92.367  200.375   54.268  150.546   69.092 49.82916 87.85630 
1 1 1   26   11   13 o  131.308   42.945  -3.3966   34.236  -9.7015   36.623   40.283   96.396   98.053   44.423  164.564   73.511 -66.51093 85.89093 
1 1 1   26   11   14 o  135.276   43.629   11.531   36.305   12.419   38.692   4.9863  105.004  115.020   49.013  155.533   72.192 -40.51283 87.25817 
1 1 1   26   11   15 o  155.338   50.434   16.512   40.225   7.6962   42.069  110.465  137.335  114.905   50.046  195.771   87.576 -80.86630 100.8672 
1 1 1   26   11   16 o  162.524   52.673   13.397   36.563   1.9975   37.754  185.574  146.725  106.271   46.815  218.777   94.373 -112.5058 105.3465 
1 1 1   26   11   17 o  120.683   41.587 -13.4317   32.919 -10.9164   34.132 -46.9375  124.574   93.315   42.513  148.050   71.488 -54.73511 83.17373 
1 1 1   26   12    0 o  180.188   52.063   49.686   22.130   48.926   22.294  100.808  182.760  149.574   38.091  210.803   96.910 -61.22815 104.1269 
1 1 1   26   12    1 o  240.355   53.832  122.060   28.056  120.036   28.414  200.870  177.280  241.908   30.099  238.802  103.371 3.105698 107.6644 
1 1 1   26   12    2 o  303.261   58.293  205.167   34.004  199.867   34.606  353.335  182.961  312.958   28.336  293.564  113.089 19.39337 116.5852 
1 1 1   26   12    3 o  170.772   41.816   63.186   20.296   65.739   20.488 -71.1083  148.594  179.152   29.305  162.392   78.329 16.75975 83.63116 
1 1 1   26   12    4 o  267.218   27.202  145.412   28.366  145.412   28.366   0.0000   0.0000  267.218   27.202  ?   ?       ?      ? 
1 1 1   26   12    5 o  154.116   32.488   50.878   18.923   50.878   18.923   0.0000   0.0000  154.116   32.488  ?   ?       ?      ? 
1 1 1   26   12    6 o  133.579   39.069   26.939   16.909   27.664   17.201   6.0951   92.197  114.105   35.157  153.053   69.783 -38.94799 78.13894 
1 1 1   26   12    7 o  208.194   44.345   90.504   23.430   88.480   24.062  127.575  102.964  207.188   29.760  209.201   83.548 -2.012878 88.69025 
1 1 1   26   12    8 o  148.934   39.370   40.221   17.132   40.442   17.456   34.451   89.219  136.628   33.091  161.240   71.450 -24.61253 78.74072 
1 1 1   26   12    9 o  248.878   43.928  191.273   32.516  199.699   33.660   73.577  125.800  312.040   27.642  185.716   83.395 126.3241 87.85668 
1 1 1   26   12   10 o  180.638   43.840   83.716   48.723  134.813   55.378 -91.3956  102.517  231.096   60.644  130.180   63.325 100.9157 87.67928 
1 1 1   26   12   11 o  266.932   74.859  327.643  129.726  188.403  202.859  423.980  168.737  217.494  100.736  316.370  110.758 -98.87593 149.7171 
1 1 1   26   12   12 o  182.116   80.177   76.156  110.575   0.0000   0.0000   76.156  110.575  ?   ?   182.116   80.177      ?      ? 
1 1 1   26   12   13 f  168.790   54.983   32.430   83.983   4.5194  131.712   51.551  109.020  165.408   78.069  172.171   77.446 -6.763290 109.9662 
1 1 1   26   12   14 o  142.387   44.907   25.666   39.997   33.203   42.444 -34.0823  119.507  134.006   53.598  150.769   72.069 -16.76317 89.81480 
1 1 1   26   12   15 o  140.812   46.613   14.290   39.069   17.811   40.409 -36.1745  152.973  120.005   50.563  161.619   78.323 -41.61486 93.22643 
1 1 1   26   12   16 o  190.751   54.164   89.786   46.625   83.820   49.158  143.236  147.145  180.254   59.851  201.247   90.293 -20.99257 108.3282 
1 1 1   26   13    0 o  245.342   60.909  172.022   60.663  167.640   63.992  210.880  190.557  257.925   63.904  232.759  103.710 25.16620 121.8172 
1 1 1   26   13    1 o  227.991   54.591  100.346   29.213   96.500   29.642  230.357  172.345  214.136   35.472  241.846  103.259 -27.71069 109.1822 
1 1 1   26   13    2 o  140.518   40.813   34.055   16.794   36.001   16.901 -119.0335  149.903  129.016   33.332  152.020   74.509 -23.00356 81.62510 
1 1 1   26   13    3 o  271.594   54.416  177.882   33.362  174.536   34.032  260.304  168.922  290.897   29.979  252.290  104.621 38.60692 108.8313 
1 1 1   26   13    4 f  278.708   50.006  223.657   37.890  227.108   39.279  177.445  143.741  331.473   30.366  225.943   95.291 105.5296 100.0118 
1 1 1   26   13    5 f  148.337   40.994   31.009   16.591   29.160   16.920   77.134   84.517  116.470   34.659  180.204   74.302 -63.73362 81.98774 
1 1 1   26   13    6 o  198.940   38.330  116.786   28.012  127.150   29.044 -21.3315  106.029  247.964   30.015  149.915   70.539 98.04865 76.65920 
1 1 1   26   13    7 o  164.204   34.786   58.652   21.598   58.652   21.598   0.0000   0.0000  164.204   34.786  ?   ?       ?      ? 
1 1 1   26   13    8 o  149.011   46.851   23.076   53.767   35.281   65.849  -1.3392   93.133  149.516   63.832  148.507   68.597 1.009613 93.70259 
1 1 1   26   13    9 o  188.964   55.247   75.305   55.993   51.066   63.124  164.766  121.270  157.568   64.502  220.361   89.712 -62.79309 110.4931 
1 1 1   26   13   10 o  153.615   42.927   31.794   48.418   98.125   58.119 -118.6614   87.532  193.490   65.091  113.740   55.983 79.74922 85.85386 
1 1 1   26   13   11 o  206.294   51.421  128.306   57.067  156.274   65.462   39.755  116.481  242.075   67.013  170.514   78.010 71.56166 102.8418 
1 1 1   26   13   12 o  238.002   48.308  183.391   63.611  256.497   74.220 -18.9119  123.465  319.653   61.734  156.351   74.320 163.3016 96.61526 
1 1 1   26   13   13 o  183.594   48.627   93.868   50.882  117.278   56.728  -2.4847  115.086  210.807   63.628  156.381   73.553 54.42584 97.25487 
1 1 1   26   13   14 o  143.133   49.259 -86.2202   85.125   9.6254  131.348 -155.6315  111.776  163.975   77.566  122.291   60.741 41.68405 98.51868 
1 1 1   26   13   15 o  139.192   55.579   39.078   45.558   39.078   45.558   0.0000   0.0000  139.192   55.579  ?   ?       ?      ? 
1 1 1   26   14    0 o  199.880   48.296   92.929   27.863   94.241   28.156   30.901  193.619  211.700   34.081  188.059   90.380 23.64088 96.59242 
1 1 1   26   14    1 o  216.324   54.926  150.437   68.212  182.581   73.634 -44.0309  181.114  259.898   70.717  172.751   84.064 87.14757 109.8530 
1 1 1   26   14    2 o  161.409   76.328 -11.9235  127.009   0.0000   0.0000 -11.9235  127.009  ?   ?   161.409   76.328      ?      ? 
1 1 1   26   14    3 o  205.174   39.123  127.176   29.888  138.553   30.981 -25.5791  113.522  258.357   30.728  151.990   71.960 106.3663 78.24652 
1 1 1   26   14    4 o  182.894   42.910   68.423   22.652   66.515   23.362   98.372   92.560  174.739   35.472  191.048   78.145 -16.30899 85.81923 
1 1 1   26   14    5 o  179.008   42.284   71.053   23.622   71.142   24.356   69.637   96.940  180.647   35.815  177.369   76.610 3.278320 84.56812 
1 1 1   26   14    6 o  185.289   50.947   90.676   56.522  120.241   69.086   30.826   98.297  208.656   70.963  161.921   73.121 46.73503 101.8937 
1 1 1   26   14    7 o  158.570   46.184   46.249   50.958   85.243   61.360 -40.4203   91.478  181.919   66.422  135.222   64.188 46.69664 92.36855 
1 1 1   26   14    8 o  234.913   53.879  174.099   59.553  191.537   67.293  111.112  127.892  272.803   64.268  197.023   86.495 75.77927 107.7579 
1 1 1   26   14    9 o  187.946   67.639   93.430   63.309   93.430   63.309   0.0000   0.0000  187.946   67.639  ?   ?       ?      ? 
1 1 1   26   14   10 o  141.021   68.455 -77.5683  118.139 -77.5683  118.139   0.0000   0.0000  141.021   68.455  ?   ?       ?      ? 
1 1 1   26   14   11 o  149.453   47.029   26.954   53.934   50.571   60.310 -67.3599  120.523  155.123   63.222  143.783   69.641 11.34023 94.05816 
1 1 1   26   14   12 o  137.408   45.522 -14.6096   58.245 -15.7279   71.461 -12.3966  100.530  128.192   59.521  146.624   68.893 -18.43199 91.04371 
1 1 1   26   14   13 o  145.361   47.052   15.001   55.918   26.588   64.270 -21.0902  113.431  141.483   61.733  149.240   71.025 -7.757355 94.10440 
1 1 1   26   14   14 o  247.989   57.637  215.567   66.372  221.503   72.326  183.902  167.047  287.561   65.867  208.416   94.602 79.14505 115.2735 
1 1 1   26   15    0 o  113.301   44.030  -5.7290   10.134  -5.7099   10.151 -11.5625  177.541   50.931   23.196  175.670   84.949 -124.7392 88.05933 
1 1 1   26   15    1 o  167.465   42.149   63.692   22.959   66.253   23.317 -17.6838  131.430  174.264   35.493  160.667   76.461 13.59686 84.29704 
1 1 1   26   15    2 o  191.601   44.084   83.931   25.620   83.585   26.395   89.566  106.529  196.084   35.814  187.119   80.566 8.964432 88.16769 
1 1 1   26   15    3 o  123.519   58.294 -36.7452   73.417   0.0000   0.0000 -36.7452   73.417  ?   ?   123.519   58.294      ?      ? 
1 1 1   26   15    4 o  147.866   67.823   4.7518   88.827   0.0000   0.0000   4.7518   88.827  ?   ?   147.866   67.823      ?      ? 
1 1 1   26   15    5 o  189.044   52.594   97.672   56.656  109.643   65.555   62.341  112.623  200.819   69.107  177.270   79.303 23.54834 105.1888 
1 1 1   26   15    6 o  239.532   53.774  184.234   61.470  208.419   70.448  107.070  125.834  284.026   64.969  195.038   85.706 88.98738 107.5475 
1 1 1   26   15    7 o  218.734   54.284  151.357   61.739  173.285   70.344   77.814  128.822  252.559   69.285  184.909   83.586 67.65047 108.5681 
1 1 1   26   15    8 o  262.979   53.829  235.574   68.294  279.096   79.017  107.071  135.777  331.526   63.387  194.432   87.020 137.0947 107.6587 
1 1 1   26   15    9 o  140.883   45.764   0.5186   56.132  -5.4065   71.913   9.7577   89.800  132.819   60.960  148.947   68.273 -16.12747 91.52709 
1 1 1   26   15   10 o  206.473   66.254  127.210  107.517  283.096  190.009   53.788  130.402  237.290  104.753  175.657   81.150 61.63239 132.5081 
1 1 1   26   15   11 o  187.501   50.879   94.597   63.340  158.895   76.986 -40.1201  111.435  231.132   74.802  143.869   68.989 87.26297 101.7587 
1 1 1   26   15   12 o  151.799   67.914   31.632   82.619   31.632   82.619   0.0000   0.0000  151.799   67.914  ?   ?       ?      ? 
1 1 1   26   16    0 o  184.821   46.808   73.805   26.494   73.242   27.044   87.211  132.020  181.251   39.363  188.392   84.938 -7.141174 93.61550 
1 1 1   26   16    1 o  133.189   40.627   18.734   16.224   17.256   16.501   61.698   88.959   95.690   34.520  170.687   73.557 -74.99703 81.25397 
1 1 1   26   16    2 o  197.192   52.206  112.560   58.915  144.015   71.314   44.945  104.555  226.155   71.869  168.228   75.742 57.92685 104.4124 
1 1 1   26   16    3 f  187.165   54.320   88.012   57.395   78.387   65.920  118.172  116.689  175.916   67.850  198.414   84.847 -22.49783 108.6398 
1 1 1   26   16    4 o  188.715   51.889  100.302   58.998  127.116   67.660   15.233  120.516  213.682   70.182  163.748   76.450 49.93402 103.7788 
1 1 1   26   16    5 o  140.600   49.248 -131.3679   92.782 -74.7288  156.591 -162.0098  115.177  157.161   76.843  124.039   61.618 33.12237 98.49641 
1 1 1   26   16    6 o  202.676   60.811  123.544   75.720  116.346   84.669  152.296  169.221  199.008   76.857  206.344   94.259 -7.336060 121.6213 
1 1 1   26   16    7 o  170.720   51.707   62.892   66.576  102.884   75.601 -75.2521  140.509  191.180   72.927  150.259   73.322 40.92096 103.4136 
1 1 1   26   16    8 o  173.423   52.575   70.894   59.009   73.761   67.094   61.101  123.991  171.076   67.720  175.770   80.441 -4.693298 105.1508 
1 1 1   26   16    9 o  146.518   47.460   16.360   57.206   28.455   65.763 -21.2570  115.976  143.054   62.432  149.981   71.499 -6.926926 94.92037 
1 1 1   26   16   10 f  212.656   56.570  150.126   64.035  157.294   72.166  123.587  138.863  231.828   72.107  193.485   87.184 38.34308 113.1396 
1 1 1   26   17    0 o  159.037   46.867   36.432   21.112   34.210   21.424  111.169  124.246  124.692   39.366  193.383   85.067 -68.69096 93.73389 
1 1 1   26   17    1 o  168.592   52.572   57.255   66.962   63.058   85.655   48.133  107.384  168.806   72.453  168.378   76.196 0.4277039 105.1438 
1 1 1   26   17    2 o  136.527   45.248 -37.0075   58.094 -86.5307   73.059   48.143   95.800  108.134   52.789  164.921   73.505 -56.78739 90.49668 
1 1 1   26   17    3 o  185.394   52.530   97.386   59.900  117.870   68.117   27.512  125.807  203.985   70.430  166.804   77.955 37.18065 105.0591 
1 1 1   26   17    4 o  198.229   53.250  121.603   59.316  138.854   64.473   26.518  151.364  224.012   67.882  172.447   82.063 51.56514 106.5004 
1 1 1   26   17    5 o  174.532   57.300   33.630   54.848   15.618   57.474  217.272  183.522  131.373   57.822  217.690   98.944 -86.31696 114.6006 
1 1 1   26   17    6 o  178.361   60.594   39.615  123.313 -14.8366  174.343   94.126  174.438  168.430   82.075  188.293   89.163 -19.86218 121.1875 
1 1 1   26   17    7 o  158.449   54.635 -41.2949  106.699   9.3717  167.195 -76.1078  138.590  169.980   82.255  146.919   71.931 23.06084 109.2707 
1 1 1   27    0    0 o  182.955   23.353   72.534   21.298   72.534   21.298   72.534   21.298  182.955   33.027  182.955   33.027 0.000000 0.000000 
1 1 1   27    0    1 o  293.453   18.645  174.347   29.635  174.347   29.635  174.347   29.635  293.453   26.368  293.453   26.368 -0.000000 0.000000 
1 1 1   27    0    2 o  290.375   18.868  170.947   29.650  170.947   29.650  170.947   29.650  290.375   26.684  290.375   26.684 0.000000 0.000000 
1 1 1   27    0    3 o  320.375   25.035  212.332   42.883  212.332   42.883  212.332   42.883  320.375   35.404  320.375   35.404 0.000000 0.000000 
1 1 1   27    0    4 o   76.966   26.550   17.464   13.296   17.464   13.296   17.464   13.296   76.966   37.547   76.966   37.547 -0.000000 0.000000 
1 1 1   27    0    5 o  249.702   20.725  128.627   27.530  128.627   27.530  128.627   27.530  249.702   29.309  249.702   29.309 -0.000000 0.000000 
1 1 1   27    0    6 o   39.248   17.816   0.3801   8.7792   0.3801   8.7792   0.3801   8.7792   39.248   25.196   39.248   25.196 0.000000 0.000000 
1 1 1   27    0    7 o  264.154   35.748  156.189   46.584  156.189   46.584  156.189   46.584  264.154   50.555  264.154   50.555 0.000000 0.000000 
1 1 1   27    0    8 o  504.801   29.176  525.268   80.031  525.268   80.031  525.268   80.031  504.801   41.260  504.801   41.260 0.000000 0.000000 
1 1 1   27    0    9 o  363.884   18.178  266.029   36.086  266.029   36.086  266.029   36.086  363.884   25.707  363.884   25.707 0.000000 0.000000 
1 1 1   27    0   10 o  444.773   27.348  408.009   65.961  408.009   65.961  408.009   65.961  444.773   38.676  444.773   38.676 -0.000000 0.000000 
1 1 1   27    0   11 o  180.678   40.971   84.816   36.035   84.816   36.035   84.816   36.035  180.678   57.942  180.678   57.942 0.000000 0.000000 
1 1 1   27    0   12 o  128.128   41.868   50.391   32.634   50.391   32.634   50.391   32.634  128.128   59.210  128.128   59.210 -0.000000 0.000000 
1 1 1   27    0   13 o  119.291   42.709   45.286   35.002   45.286   35.002   45.286   35.002  119.291   60.399  119.291   60.399 -0.000000 0.000000 
1 1 1   27    0   14 o  220.388   89.261  237.591  171.889  237.591  171.889  237.591  171.889  220.388  126.234  220.388  126.234 0.000000 0.000000 
1 1 1   27    0   15 o  191.757   50.277  106.468   49.405  106.468   49.405  106.468   49.405  191.757   71.103  191.757   71.103 -0.000000 0.000000 
1 1 1   27    0   16 o  201.827   50.939  116.606   51.778  116.606   51.778  116.606   51.778  201.827   72.039  201.827   72.039 0.000000 0.000000 
1 1 1   27    0   17 o  308.078   38.587  217.448   59.466  217.448   59.466  217.448   59.466  308.078   54.570  308.078   54.570 -0.000000 0.000000 
1 1 1   27    0   19 o   76.081   35.557  -2.4137   38.792  -2.4137   38.792  -2.4137   38.792   76.081   50.285   76.081   50.285 -0.000000 0.000000 
1 1 1   27    1    0 o   85.544   22.218   11.921   9.7475   15.208   14.403   9.1443   13.240   91.496   32.332   79.592   30.481 11.90438 44.43520 
1 1 1   27    1    1 o  253.858   18.718  129.373   18.536  132.413   26.088  126.274   26.340  256.991   26.014  250.725   26.921 6.265778 37.43576 
1 1 1   27    1    2 o  191.472   19.250   74.028   14.247   85.995   20.250   62.297   20.049  207.301   25.031  175.643   29.251 31.65817 38.49920 
1 1 1   27    1    3 o  144.566   25.366   44.935   14.656   30.006   20.954   59.232   20.507  121.026   39.010  168.105   32.434 -47.07948 50.73271 
1 1 1   27    1    4 o  134.913   22.498   38.392   11.652   38.054   16.557   38.724   16.401  134.277   32.043  135.549   31.591 -1.272430 44.99686 
1 1 1   27    1    5 o  219.884   18.305   96.742   15.661   86.881   21.628  107.611   22.706  207.953   26.651  231.814   25.100 -23.86095 36.61012 
1 1 1   27    1    6 o   77.730   19.414   9.9632   7.7915   2.7201   11.438   16.234   10.643   65.802   27.250   89.657   27.659 -23.85460 38.82785 
1 1 1   27    1    7 o  300.385   23.558  175.941   25.671  208.402   47.221  162.323   30.586  316.982   38.174  283.788   27.618 33.19394 47.11684 
1 1 1   27    1    8 o  482.048   24.289  451.358   40.882  421.323   47.486  537.366   80.356  457.556   26.594  506.540   40.651 -48.98376 48.57773 
1 1 1   27    1    9 o  137.943   28.641   23.300   11.491   17.316   12.137   75.044   35.689   92.934   29.661  182.951   49.005 -90.01675 57.28223 
1 1 1   27    1   10 o  301.673   22.631  170.260   23.533  153.840   26.982  222.460   48.108  276.674   24.990  326.672   37.737 -49.99884 45.26153 
1 1 1   27    1   11 o  378.565   23.233  287.622   30.853  278.362   36.213  312.143   58.928  371.883   24.953  385.247   39.197 -13.36453 46.46567 
1 1 1   27    1   12 o  118.411   33.189   14.940   21.455   3.7150   25.568   41.659   39.448   93.374   39.817  143.448   53.111 -50.07430 66.37894 
1 1 1   27    1   13 o  245.632   53.399  143.578   39.154  140.518   40.483  187.907  154.063  256.371   40.464  234.892   98.836 21.47951 106.7988 
1 1 1   27    1   14 o  168.577   50.540   48.945   48.539   81.816  108.245   40.672   54.305  188.535   81.194  148.619   60.207 39.91577 101.0803 
1 1 1   27    1   15 o  291.865   36.627  200.364   39.675  218.757   52.445  175.750   60.668  316.616   42.446  267.115   59.702 49.50079 73.25304 
1 1 1   27    1   16 o  151.767   39.325   46.743   30.760   26.345   39.853   76.801   48.377  127.248   51.567  176.286   59.385 -49.03815 78.64923 
1 1 1   27    1   17 o  307.662   37.367  228.539   41.711  360.092   60.722  110.999   57.397  409.551   37.993  205.773   64.357 203.7781 74.73456 
1 1 1   27    1   18 o  266.997   38.347  195.922   39.583  266.359   50.577   84.573   63.591  353.108   36.704  180.886   67.341 172.2219 76.69411 
1 1 1   27    1   19 o  295.277   56.335  127.745   53.642   62.222   57.359  584.664  151.469  162.584   63.128  427.969   93.324 -265.3852 112.6697 
1 1 1   27    1   20 o   93.578   45.557 -68.8437   53.352   0.0000   0.0000 -68.8437   53.352  ?   ?    93.578   45.557      ?      ? 
1 1 1   27    2    0 o  171.790   22.366   60.974   14.579   50.106   20.267   72.629   20.989  153.733   34.616  189.847   28.330 -36.11415 44.73104 
1 1 1   27    2    1 o   98.391   20.953   17.825   9.5337   31.538   13.989   5.9323   13.028  122.605   29.579   74.177   29.685 48.42824 41.90582 
1 1 1   27    2    2 o  230.807   18.764  106.130   16.793   90.793   22.782  124.378   24.851  212.451   27.479  249.164   25.558 -36.71365 37.52788 
1 1 1   27    2    3 o   99.698   23.800   19.379   11.183   12.509   17.741   23.909   14.405   91.875   35.260  107.521   31.976 -15.64520 47.59978 
1 1 1   27    2    4 f  147.822   23.781   45.964   13.135   47.309   21.207   45.127   16.730  148.787   36.743  146.856   30.201 1.930573 47.56184 
1 1 1   27    2    5 o   74.870   19.889   7.9403   7.9017   12.392   12.087   4.6175   10.442   83.349   29.601   66.391   26.574 16.95849 39.77900 
1 1 1   27    2    6 o  363.078   24.156  240.697   28.929  217.801   32.464  328.968   63.745  329.654   25.236  396.502   41.197 -66.84802 48.31200 
1 1 1   27    2    7 o  438.300   28.432  402.126   48.445  414.555   66.462  388.034   70.765  447.016   38.099  429.583   42.212 17.43301 56.86324 
1 1 1   27    2    8 o  252.144   24.148   60.704   15.079   43.216   15.695  270.529   54.363  143.793   28.970  360.494   38.643 -216.7013 48.29672 
1 1 1   27    2    9 f  198.719   48.842   63.724   17.605   62.931   17.739  115.860  143.787  176.900   25.696  220.538   94.243 -43.63737 97.68349 
1 1 1   27    2   10 o  122.485   31.958   14.131   11.594   10.733   12.013   60.233   44.244   79.956   29.360  165.013   56.774 -85.05646 63.91656 
1 1 1   27    2   11 f  302.228   32.854  226.820   29.046  250.573   33.308  151.405   59.350  353.100   24.172  251.355   61.101 101.7452 65.70885 
1 1 1   27    2   12 o  198.599   36.078   97.866   28.447  112.434   33.528   60.432   53.746  231.419   37.126  165.779   61.872 65.63963 72.15535 
1 1 1   27    2   13 o  209.063   45.931  115.167   34.701  121.307   35.766   16.663  143.257  239.160   38.322  178.967   83.487 60.19312 91.86188 
1 1 1   27    2   14 o  314.589   36.624  219.108   38.600  209.684   44.990  245.398   75.142  314.793   36.623  314.385   63.435 0.4071350 73.24822 
1 1 1   27    2   15 o  159.028   46.851   49.116   47.011   31.456   84.827   56.945   56.478  157.676   69.780  160.380   62.538 -2.703171 93.70274 
1 1 1   27    2   16 o  283.642   33.867  208.437   39.228  383.657   55.070   27.934   55.894  427.785   32.988  139.499   59.159 288.2862 67.73461 
1 1 1   27    2   17 o  253.574   38.439  -7.2977   31.313 -46.7234   32.547  483.312  114.813   74.129   35.971  433.019   67.944 -358.8897 76.87896 
1 1 1   27    2   18 o  444.718   56.286  135.294   39.160  104.512   39.583  1549.74  268.323  210.946   49.019  678.490  101.340 -467.5444 112.5730 
1 1 1   27    2   19 o  318.205   41.902  222.857   52.033  222.857   52.033   0.0000   0.0000  318.205   41.902  ?   ?       ?      ? 
1 1 1   27    2   20 o  167.325   44.229   71.008   37.236   79.167   41.063   33.254   88.334  178.830   54.170  155.819   69.932 23.01108 88.45842 
1 1 1   27    3    0 o  155.050   22.033   49.637   13.083   59.866   18.892   40.211   18.134  172.390   28.082  137.710   33.958 34.67979 44.06572 
1 1 1   27    3    1 o  357.304   18.639  255.085   25.911  242.073   35.032  270.800   38.500  347.485   25.834  367.123   26.873 -19.63760 37.27714 
1 1 1   27    3    2 o  509.048   19.570  521.210   38.810  514.860   53.221  528.422   56.718  506.147   26.945  511.950   28.390 -5.802612 39.14079 
1 1 1   27    3    3 o  429.501   21.934  368.535   35.079  355.321   43.238  393.986   60.005  420.716   26.335  438.286   35.083 -17.56952 43.86781 
1 1 1   27    3    4 o  273.369   35.709  176.340   34.106  202.303   42.143  127.060   58.062  314.311   34.359  232.427   62.610 81.88397 71.41797 
1 1 1   27    3    5 o  153.740   33.839   36.493   15.259   31.962   16.085   77.233   48.231  123.028   32.876  184.452   59.156 -61.42397 67.67743 
1 1 1   27    3    6 o  290.703   30.593  184.354   26.606  187.668   29.952  171.955   57.926  306.001   25.082  275.405   55.809 30.59534 61.18658 
1 1 1   27    3    7 o  156.438   33.343   58.081   25.786   82.246   29.980 -10.6233   50.552  195.223   40.672  117.653   52.846 77.57072 66.68523 
1 1 1   27    3    8 o  594.490   25.454  667.189   51.974  603.713   59.503  871.470  106.746  546.651   27.893  642.329   42.585 -95.67847 50.90722 
1 1 1   27    3    9 o  335.894   24.757  226.519   32.451  226.519   32.451   0.0000   0.0000  335.894   24.757  ?   ?       ?      ? 
1 1 1   27    3   10 o  344.408   28.028  203.091   33.222  156.996   37.651  365.144   70.597  275.402   35.034  413.415   43.759 -138.0134 56.05541 
1 1 1   27    3   11 o  398.872   30.582  360.958   37.678  378.258   42.833  301.780   79.221  433.045   25.346  364.699   55.664 68.34579 61.16302 
1 1 1   27    3   12 o  266.660   40.653  181.702   37.360  198.398   43.498  134.753   72.942  307.669   36.229  225.650   72.788 82.01970 81.30608 
1 1 1   27    3   13 o  134.275   26.992   37.890   13.653   37.890   13.653   0.0000   0.0000  134.275   26.992  ?   ?       ?      ? 
1 1 1   27    3   14 o   95.510   30.782   8.1465   9.3518   9.0116   9.4499 -32.8937   65.087   72.033   26.102  118.988   55.756 -46.95494 61.56319 
1 1 1   27    3   15 o  104.951   27.490   9.0869   20.669   41.154   23.351 -106.9213   44.414  136.141   40.763   73.761   36.895 62.37963 54.98034 
1 1 1   27    3   16 o  253.871   59.567  173.512   78.436   47.332  100.564  369.503  125.333  169.019   75.322  338.724   92.301 -169.7049 119.1339 
1 1 1   27    3   17 o  441.326   57.085   99.389   34.419   75.733   34.675  1683.24  283.731  179.534   48.394  703.118  103.406 -523.5844 114.1702 
1 1 1   27    3   18 o  238.262   93.148  208.233  125.542  208.233  125.542   0.0000   0.0000  238.262   93.148  ?   ?       ?      ? 
1 1 1   27    3   19 o  227.488   52.090  118.936   36.561  110.694   38.162  210.974  127.533  218.813   46.145  236.163   93.402 -17.35017 104.1795 
1 1 1   27    3   20 o  182.767   47.281   79.049   33.977   79.049   33.977   0.0000   0.0000  182.767   47.281  ?   ?       ?      ? 
1 1 1   27    4    0 o   90.673   22.479   15.045   9.6962   15.181   15.360   14.954   12.502   92.590   33.317   88.756   30.187 3.833611 44.95893 
1 1 1   27    4    1 o  259.327   28.681   95.742   20.878   79.894   22.170  219.944   62.064  199.000   28.548  319.655   49.754 -120.6547 57.36224 
1 1 1   27    4    2 o  196.595   35.021   67.383   19.002   61.246   20.172  115.735   56.620  171.301   31.331  221.889   62.645 -50.58789 70.04247 
1 1 1   27    4    3 f  225.467   53.216   81.182   21.421   79.304   21.619  182.400  158.698  198.369   27.928  252.566  102.703 -54.19730 106.4322 
1 1 1   27    4    4 o  314.872   32.177  217.474   29.686  221.143   33.219  202.926   66.154  332.041   25.637  297.704   59.028 34.33746 64.35476 
1 1 1   27    4    5 o  178.426   38.464   66.630   24.650   64.553   27.191   76.205   58.390  172.574   40.986  184.278   65.102 -11.70459 76.92886 
1 1 1   27    4    6 o  490.543   26.921  502.735   44.982  506.897   52.476  491.204   87.343  501.824   26.797  479.262   46.701 22.56186 53.84261 
1 1 1   27    4    7 o  169.728   39.274   54.024   24.294   47.645   26.672   85.082   58.849  148.146   43.366  191.309   65.492 -43.16246 78.54875 
1 1 1   27    4    8 o  168.927   33.364   72.191   19.181   78.428   20.110   9.2953   63.859  197.377   26.109  140.477   61.409 56.89943 66.72836 
1 1 1   27    4    9 o  384.168   63.251  304.537   37.306  296.404   37.900  557.863  211.529  383.836   25.302  384.499  123.945 -0.6626587 126.5016 
1 1 1   27    4   10 o  244.048   36.972  188.482   39.966  246.194   45.055 -24.5980   86.572  345.499   33.417  142.597   65.962 202.9018 73.94380 
1 1 1   27    4   11 o  207.584   37.833  102.279   20.692  103.858   21.580   84.265   72.889  227.080   24.352  188.089   71.640 38.99048 75.66632 
1 1 1   27    4   12 o  169.959   38.556   20.483   11.623   16.760   11.774  163.186   72.889   91.053   29.231  248.865   71.358 -157.8122 77.11250 
1 1 1   27    4   13 o  331.872   24.014  222.577   31.100  222.577   31.100   0.0000   0.0000  331.872   24.014  ?   ?       ?      ? 
1 1 1   27    4   14 o  249.109   41.048  202.937   28.684  213.542   29.599   39.307  116.268  325.103   23.331  173.115   78.711 151.9878 82.09624 
1 1 1   27    4   15 o  149.046   35.817   44.118   13.941   44.978   14.140   14.160   83.406  148.873   24.338  149.219   67.372 -0.3455200 71.63363 
1 1 1   27    4   16 f  243.623   47.745  159.177   38.176  160.405   40.390  148.890  116.904  273.497   37.843  213.750   87.672 59.74672 95.49048 
1 1 1   27    4   17 o  306.106  114.591  440.744  184.635   0.0000   0.0000  440.744  184.635  ?   ?   306.106  114.591      ?      ? 
1 1 1   27    4   18 o  119.376   40.756   30.189   22.789   30.189   22.789   0.0000   0.0000  119.376   40.756  ?   ?       ?      ? 
1 1 1   27    4   19 o  211.601   43.970  127.924   34.484  134.406   35.844   47.320  126.395  250.207   36.710  172.994   79.911 77.21246 87.93916 
1 1 1   27    4   20 o   98.792   33.856   0.3408   16.054   3.1520   16.287 -95.7056   95.201   75.682   32.006  121.902   59.669 -46.22009 67.71104 
1 1 1   27    5    0 o  344.999   26.802  183.739   27.422  155.767   29.509  360.806   74.243  278.219   27.179  411.779   46.202 -133.5597 53.60334 
1 1 1   27    5    1 o  195.336   36.901   57.059   18.582   49.654   19.445  134.916   63.053  153.207   33.461  237.465   65.780 -84.25778 73.80122 
1 1 1   27    5    2 o  528.929   26.298  521.372   45.947  475.975   51.680  692.602  100.369  486.263   27.235  571.594   44.997 -85.33090 52.59687 
1 1 1   27    5    3 o  331.427   59.324  243.859   34.368  240.175   34.967  348.647  186.485  345.884   25.906  316.970  115.786 28.91345 118.6486 
1 1 1   27    5    4 o  104.869   34.093  -2.7997   13.984  -3.9804   14.357   19.060   61.774   64.731   28.674  145.006   61.864 -80.27529 68.18636 
1 1 1   27    5    5 o  150.685   38.098   1.6947   18.386  -8.7329   19.121  129.568   66.959   71.259   32.208  230.111   69.055 -158.8516 76.19643 
1 1 1   27    5    6 o  588.724   32.599  741.977   73.652  746.322   96.334  735.862  114.267  595.763   41.436  581.686   50.338 14.07770 65.19878 
1 1 1   27    5    7 o  130.402   34.411   32.177   15.721   35.001   16.111 -24.0110   71.874  128.440   32.203  132.365   60.822 -3.924393 68.82111 
1 1 1   27    5    8 o  349.446   35.033  249.602   41.672  232.470   47.826  303.618   84.924  334.515   36.637  364.378   59.724 -29.86307 70.06558 
1 1 1   27    5    9 o  140.598   37.069   35.062   15.060   36.132   15.319   4.2920   82.154  130.579   30.598  150.616   67.530 -20.03673 74.13857 
1 1 1   27    5   10 o  237.509   42.410  154.904   35.236  167.974   38.257   81.811   90.472  284.559   34.451  190.459   77.507 94.10004 84.81901 
1 1 1   27    5   11 o  177.027   39.744   58.596   16.857   57.778   17.202   78.343   84.500  168.839   26.108  185.214   75.078 -16.37552 79.48775 
1 1 1   27    5   12 o  165.146   31.600   74.249   18.108   81.385   18.924  -3.2447   62.362  200.723   24.159  129.568   58.401 71.15454 63.20047 
1 1 1   27    5   13 o  135.876   27.437   38.941   14.047   38.941   14.047   0.0000   0.0000  135.876   27.437  ?   ?       ?      ? 
1 1 1   27    5   14 o  122.163   32.850   28.136   12.743   30.086   12.924 -39.9925   76.396  118.820   28.280  125.505   59.303 -6.685516 65.70098 
1 1 1   27    5   15 o  180.420   38.920   75.526   17.758   76.644   18.062   43.129   97.219  194.453   23.802  166.388   74.111 28.06454 77.83959 
1 1 1   27    5   16 o   84.870   30.729  -0.1857   6.2097   0.0590   6.2328 -33.0623   72.238   45.948   19.628  123.792   58.240 -77.84361 61.45850 
1 1 1   27    5   17 o  248.387   50.821  101.052   30.315   87.004   31.348  303.675  119.054  196.337   42.173  300.438   92.479 -104.1011 101.6415 
1 1 1   27    5   18 o  179.032   53.713   45.968   63.528 -15.6166   77.226  174.870  111.728  132.731   61.710  225.333   87.934 -92.60287 107.4269 
1 1 1   27    5   19 o  143.278   45.603   18.096   52.310   39.295   60.012 -48.9545  106.731  146.818   61.727  139.739   67.143 7.079376 91.20531 
1 1 1   27    5   20 o  218.417   51.797   29.364   20.095   20.583   20.331  401.177  132.296  103.576   38.171  333.259   96.304 -229.6828 103.5932 
1 1 1   27    6    0 o  180.381   39.321   38.226   18.018   30.730   18.665  140.806   69.049  121.077   36.487  239.686   69.665 -118.6090 78.64140 
1 1 1   27    6    1 o  236.925   38.997  144.546   26.463  152.022   28.268   91.562   75.257  274.991   26.342  198.859   73.411 76.13210 77.99402 
1 1 1   27    6    2 o  240.688   33.547   48.397   18.407   34.813   18.945  277.695   77.834  128.043   36.266  353.332   56.449 -225.2893 67.09463 
1 1 1   27    6    3 o  583.650   77.191  729.620   65.347  706.610   66.546  1350.65  345.720  590.970   28.855  576.330  151.661 14.64014 154.3813 
1 1 1   27    6    4 o  299.190   57.601  188.219   30.655  184.774   31.118  301.334  178.315  303.049   26.313  295.330  112.157 7.718781 115.2020 
1 1 1   27    6    5 o  288.611   36.743  140.367   25.277  128.980   26.511  254.220   83.833  252.960   26.856  324.262   68.402 -71.30208 73.48536 
1 1 1   27    6    6 o  278.085   42.602  157.225   37.000  142.828   40.903  222.060   86.798  260.850   40.182  295.320   75.134 -34.47034 85.20420 
1 1 1   27    6    7 o  187.133   40.438   91.254   31.214  103.596   33.256  -0.1230   90.486  219.184   40.367  155.081   70.082 64.10396 80.87643 
1 1 1   27    6    8 f  160.585   42.912   54.198   23.982   59.211   24.239 -178.6358  165.183  165.221   38.335  155.948   76.786 9.272873 85.82368 
1 1 1   27    6    9 o  127.489   38.700   15.231   12.847   14.508   13.011   43.290   81.030   88.056   30.760  166.923   71.025 -78.86677 77.39957 
1 1 1   27    6   10 f  235.666   39.259  129.404   23.405  129.734   24.597  126.239   76.100  253.486   24.865  217.846   74.476 35.63988 78.51725 
1 1 1   27    6   11 o  189.774   33.235  103.502   29.570  135.331   33.086 -22.8372   65.916  255.098   33.236  124.450   57.564 130.6486 66.46980 
1 1 1   27    6   12 o  279.122   24.327  157.665   26.498  157.665   26.498   0.0000   0.0000  279.122   24.327  ?   ?       ?      ? 
1 1 1   27    6   13 o  102.422   29.194   22.213   12.236   22.213   12.236   0.0000   0.0000  102.422   29.194  ?   ?       ?      ? 
1 1 1   27    6   14 o  253.017   39.417  224.653   29.976  240.069   31.006   3.9964  117.304  344.605   23.056  161.430   75.387 183.1750 78.83350 
1 1 1   27    6   15 o  228.942   42.642  133.865   23.342  134.789   23.982  117.235  101.708  257.814   23.837  200.071   81.885 57.74257 85.28386 
1 1 1   27    6   16 o  160.881   42.231   33.562   13.426   31.768   13.570  116.517   92.286  121.799   28.972  199.962   79.337 -78.16235 84.46124 
1 1 1   27    6   17 o  179.172   78.070   74.958  102.469   0.0000   0.0000   74.958  102.469  ?   ?   179.172   78.070      ?      ? 
1 1 1   27    6   18 o  128.743   35.346   30.595   11.947   31.994   12.012 -98.0325  115.168  122.974   25.850  134.512   65.797 -11.53778 70.69241 
1 1 1   27    6   19 f   99.922   49.568 -124.0612   73.532   0.0000   0.0000 -124.0612   73.532  ?   ?    99.922   49.568      ?      ? 
1 1 1   27    7    0 o  295.569   40.788  184.469   29.236  180.406   30.945  218.221   89.198  299.351   26.490  291.787   77.156 7.564240 81.57666 
1 1 1   27    7    1 o  154.158   41.694   24.974   16.978   21.451   17.378   98.802   79.554  104.752   35.591  203.564   75.412 -98.81140 83.38896 
1 1 1   27    7    2 o  262.452   41.684  183.875   29.935  192.984   31.873  115.743   87.172  309.606   26.381  215.297   79.085 94.30847 83.36847 
1 1 1   27    7    3 o  224.977   41.080  122.928   25.372  125.744   26.548   93.218   86.225  249.610   27.254  200.343   77.507 49.26680 82.15929 
1 1 1   27    7    4 o  132.211   45.533   9.1126   14.462   9.3291   14.529 -14.2882  151.054   81.895   31.779  182.526   85.341 -100.6312 91.06577 
1 1 1   27    7    5 o  138.432   42.886   26.110   16.537   27.800   16.630 -123.3432  156.351  115.097   34.386  161.768   78.577 -46.67088 85.77171 
1 1 1   27    7    6 o  399.805   44.455  370.510   41.672  370.386   44.424  371.416  120.255  428.278   26.580  371.331   84.843 56.94659 88.90948 
1 1 1   27    7    7 o  172.856   44.475   62.577   30.258   63.839   32.031   52.119   92.215  168.686   46.940  177.026   75.557 -8.340042 88.95048 
1 1 1   27    7    8 o  191.797   49.365   82.520   32.882   85.533   33.588   13.142  161.174  195.778   44.917  187.816   87.922 7.962036 98.73093 
1 1 1   27    7    9 o  195.532   54.037   45.116   21.727   41.215   21.962  224.652  148.993  137.400   39.093  253.663  100.755 -116.2634 108.0736 
1 1 1   27    7   10 o  194.577   31.329  119.500   23.736  141.005   25.520 -18.3970   64.622  264.048   24.766  125.105   57.555 138.9423 62.65722 
1 1 1   27    7   11 o  118.983   28.599   30.576   19.307   47.750   20.452 -109.9698   58.508  147.902   35.816   90.064   44.596 57.83761 57.19805 
1 1 1   27    7   12 o  104.430   33.818   9.8181   11.881   10.906   12.014 -38.5848   80.146   79.712   29.347  129.149   60.938 -49.43759 67.63629 
1 1 1   27    7   13 o  186.807   27.023   71.443   19.700   71.443   19.700   0.0000   0.0000  186.807   27.023  ?   ?       ?      ? 
1 1 1   27    7   14 o   50.716   22.163  -1.3271   8.3128  -1.3271   8.3128   0.0000   0.0000   50.716   22.163  ?   ?       ?      ? 
1 1 1   27    7   15 o   95.818   32.825  -0.6248   8.6271  -0.9140   8.7018   16.000   65.982   52.514   22.817  139.122   61.557 -86.60744 65.64934 
1 1 1   27    7   16 o  178.710   33.051   99.207   20.576  107.875   21.025 -97.2516  100.097  230.720   23.352  126.701   61.839 104.0186 66.10124 
1 1 1   27    7   17 o  181.100   35.084   96.988   20.017  102.880   20.369 -68.7581  108.032  225.259   23.172  136.941   66.232 88.31818 70.16839 
1 1 1   27    7   18 o  132.806   35.433   38.797   19.747   44.621   20.126 -111.5750  102.267  141.706   36.249  123.907   60.894 17.79830 70.86641 
1 1 1   27    7   19 o  132.253   42.331   10.840   9.0257   10.042   9.0605  114.070  103.072   73.250   25.664  191.256   80.678 -118.0062 84.66185 
1 1 1   27    8    0 o   96.959   36.315 -13.7208   10.646 -13.4266   10.707 -39.1401   99.538   45.710   21.773  148.208   69.289 -102.4980 72.62963 
1 1 1   27    8    1 o  191.694   40.199   88.916   23.763   92.916   24.511   26.315   96.975  213.845   29.371  169.544   74.841 44.30125 80.39828 
1 1 1   27    8    2 o  218.749   48.222  109.530   24.976  110.797   25.288   59.228  159.386  234.000   27.693  203.497   92.383 30.50314 96.44479 
1 1 1   27    8    3 o  178.008   44.832   50.828   19.270   49.134   19.613   97.993  103.478  151.751   33.966  204.264   82.982 -52.51231 89.66409 
1 1 1   27    8    4 o  212.278   44.245  120.047   25.578  124.461   25.894 -57.3623  164.153  248.177   26.737  176.379   84.354 71.79793 88.48965 
1 1 1   27    8    5 o  158.781   45.746   41.824   19.501   43.242   19.637 -59.5017  165.987  141.702   35.566  175.861   84.295 -34.15881 91.49117 
1 1 1   27    8    6 o  201.511   51.792   65.621   20.355   64.496   20.502  142.932  169.970  177.758   29.556  225.265   99.278 -47.50711 103.5844 
1 1 1   27    8    7 o  267.291   58.699   78.238   21.151   72.983   21.303  444.487  177.834  189.116   28.865  345.466  113.795 -156.3496 117.3988 
1 1 1   27    8    8 o  136.903   48.975  -7.0282   10.094  -7.8308   10.119  157.374  144.820   48.771   22.557  225.034   95.317 -176.2625 97.94981 
1 1 1   27    8    9 o  165.766   78.299 -19.1185  132.963   0.0000   0.0000 -19.1185  132.963  ?   ?   165.766   78.299      ?      ? 
1 1 1   27    8   10 o  182.364   39.199   83.727   21.287   87.192   21.689  -7.3144  111.169  206.752   26.881  157.976   73.644 48.77621 78.39714 
1 1 1   27    8   11 o  182.454   39.049   82.074   21.576   84.990   22.114   24.311   98.430  203.622   27.830  161.286   72.971 42.33611 78.09793 
1 1 1   27    8   12 o  141.055   39.415   32.506   16.389   32.535   16.666   31.658   90.182  122.451   33.779  159.659   71.227 -37.20836 78.83083 
1 1 1   27    8   13 o  260.251   25.895  138.252   26.299  138.252   26.299   0.0000   0.0000  260.251   25.895  ?   ?       ?      ? 
1 1 1   27    8   14 o  145.893   36.723   43.875   16.037   45.364   16.309   0.3966   88.154  145.794   29.674  145.992   67.185 -0.1982727 73.44671 
1 1 1   27    8   15 o  265.749   24.803  143.769   25.722  143.769   25.722   0.0000   0.0000  265.749   24.803  ?   ?       ?      ? 
1 1 1   27    8   16 o  224.558   25.251  102.922   22.128  102.922   22.128   0.0000   0.0000  224.558   25.251  ?   ?       ?      ? 
1 1 1   27    8   17 o  179.380   35.542   93.564   20.436   99.232   20.789 -68.9756  111.325  220.757   24.132  138.003   66.863 82.75424 71.08479 
1 1 1   27    8   18 o   98.517   29.120   16.202   10.570   19.093   10.636 -212.8925   94.680   94.904   27.273  102.130   51.459 -7.226219 58.23922 
1 1 1   27    9    0 o  371.903   64.372  345.133   42.356  339.952   43.137  484.302  223.585  409.843   26.971  333.963  125.887 75.88040 128.7437 
1 1 1   27    9    1 o  198.656   29.804   80.517   23.105   80.517   23.105   0.0000   0.0000  198.656   29.804  ?   ?       ?      ? 
1 1 1   27    9    2 o  191.299   29.421   74.610   21.963   74.610   21.963   0.0000   0.0000  191.299   29.421  ?   ?       ?      ? 
1 1 1   27    9    3 o  260.244   57.858  106.046   24.990  101.370   25.243  335.840  176.967  223.045   29.002  297.444  112.022 -74.39929 115.7151 
1 1 1   27    9    4 o  268.427   59.337  107.715   25.315  102.397   25.557  384.656  184.432  223.987   29.239  312.866  115.016 -88.87813 118.6744 
1 1 1   27    9    5 o  201.579   50.156   74.698   22.658   73.890   22.881  115.544  162.669  189.638   30.918  213.520   95.428 -23.88187 100.3121 
1 1 1   27    9    6 o  183.610   48.638   57.350   19.831   56.705   20.002   94.603  152.021  163.110   32.564  204.110   91.663 -40.99951 97.27599 
1 1 1   27    9    7 o  218.638   53.781   71.187   20.090   68.493   20.245  245.268  162.735  183.044   28.341  254.231  103.760 -71.18726 107.5613 
1 1 1   27    9    8 o  302.445   56.001  240.644   34.881  238.625   35.536  293.889  182.482  342.335   26.600  262.556  108.797 79.77881 112.0016 
1 1 1   27    9    9 o  118.903   34.958   22.976   14.280   25.422   14.440 -85.1901   96.027  109.299   31.885  128.508   62.223 -19.20940 69.91682 
1 1 1   27    9   10 o  177.804   76.411   68.106   95.483   0.0000   0.0000   68.106   95.483  ?   ?   177.804   76.411      ?      ? 
1 1 1   27    9   11 o  171.290   45.575   65.100   32.776   65.024   34.825   65.690   96.990  166.397   49.770  176.182   76.362 -9.785034 91.14948 
1 1 1   27    9   12 o  111.891   36.826   9.8229   12.711   10.286   12.832 -14.4557   92.958   79.771   30.137  144.011   67.204 -64.23974 73.65191 
1 1 1   27    9   13 o  245.913   26.950  123.959   25.863  123.959   25.863   0.0000   0.0000  245.913   26.950  ?   ?       ?      ? 
1 1 1   27    9   14 o  125.232   34.257   31.400   15.666   35.099   15.854 -121.3973  101.888  127.249   31.968  123.215   60.599 4.034897 68.51390 
1 1 1   27    9   15 o  150.962   39.195   46.533   17.042   48.023   17.232 -19.7273  114.934  149.625   30.546  152.299   72.193 -2.674622 78.38953 
1 1 1   27    9   16 f  121.587   33.667   29.180   14.476   32.556   14.600 -167.6138  111.458  122.683   30.598  120.492   59.980 2.190880 67.33377 
1 1 1   27    9   17 o  210.972   26.941   91.736   22.181   91.736   22.181   0.0000   0.0000  210.972   26.941  ?   ?       ?      ? 
1 1 1   27   10    0 o  166.973   46.276   50.651   20.361   51.915   20.503 -39.8332  173.434  155.233   34.716  178.712   85.795 -23.47914 92.55273 
1 1 1   27   10    1 o  244.509   54.751  123.632   27.143  121.421   27.446  222.279  183.323  243.804   28.847  245.214  105.633 -1.409515 109.5013 
1 1 1   27   10    2 o  271.820   52.802  206.870   33.447  208.524   33.933  150.314  198.435  320.260   27.151  223.380  102.053 96.87985 105.6032 
1 1 1   27   10    3 o  255.864   28.435  133.702   28.392  133.702   28.392   0.0000   0.0000  255.864   28.435  ?   ?       ?      ? 
1 1 1   27   10    4 o  154.264   48.341   25.434   16.577   24.699   16.679   84.877  150.025  108.938   34.771  199.590   90.214 -90.65113 96.68295 
1 1 1   27   10    5 o  180.104   48.913   54.319   21.428   53.224   21.661  104.368  146.435  156.318   36.219  203.890   90.875 -47.57176 97.82671 
1 1 1   27   10    6 o  173.910   46.230   53.914   18.962   53.812   19.126   59.754  145.322  158.693   31.988  189.128   86.749 -30.43510 92.45925 
1 1 1   27   10    7 o  144.469   46.150   21.104   15.278   20.592   15.368   64.266  141.097  100.705   33.466  188.234   86.019 -87.52961 92.29991 
1 1 1   27   10    8 o  142.369   40.933   31.629   17.738   31.652   18.033   30.939   98.553  120.950   35.730  163.788   73.658 -42.83846 81.86674 
1 1 1   27   10    9 o  237.906   43.675  161.235   29.299  165.993   30.301   92.795  114.922  284.681   27.275  191.131   82.982 93.55042 87.34918 
1 1 1   27   10   10 o  122.674   37.471   19.425   15.698   20.083   15.965   0.2418   86.238   99.997   34.112  145.351   66.727 -45.35340 74.94125 
1 1 1   27   10   11 o  178.275   42.296   75.996   25.728   78.315   26.506   38.209  106.990  188.925   37.276  167.625   75.937 21.30002 84.59258 
1 1 1   27   10   12 o  151.457   46.081   32.668   31.026   29.518   32.389   67.751  108.098  124.503   47.676  178.412   78.873 -53.90900 92.16239 
1 1 1   27   10   13 o  185.822   36.692  102.834   35.850  131.402   37.893 -140.8926  110.679  246.373   39.413  125.271   61.902 121.1025 73.38440 
1 1 1   27   10   14 f  212.060   39.217  143.178   27.409  151.730   27.957 -68.5357  139.102  272.155   26.324  151.964   73.885 120.1911 78.43400 
1 1 1   27   10   15 o  142.450   36.997   44.214   17.700   47.303   17.918 -80.3043  113.766  147.745   32.004  137.155   66.715 10.59003 73.99437 
1 1 1   27   10   16 o  127.894   33.421   37.126   16.791   42.624   16.908 -356.0760  142.990  140.033   31.682  115.755   58.857 24.27829 66.84242 
1 1 1   27   11    0 o  233.686   51.743  136.179   34.519  136.458   35.162  128.753  181.373  254.883   35.351  212.488   97.262 42.39445 103.4867 
1 1 1   27   11    1 o  165.669   44.034   54.822   20.125   56.498   20.282 -51.6693  161.664  162.263   33.151  169.076   81.590 -6.812943 88.06775 
1 1 1   27   11    2 o  143.234   47.788   14.833   14.897   14.172   14.968   83.362  152.396   89.482   32.786  196.986   89.777 -107.5036 95.57613 
1 1 1   27   11    3 o  126.025   39.150   22.914   15.745   25.150   15.838 -164.9499  145.161  109.183   33.751  142.867   70.653 -33.68385 78.30085 
1 1 1   27   11    4 o  266.860   56.190  170.344   56.666  170.344   56.666   0.0000   0.0000  266.860   56.190  ?   ?       ?      ? 
1 1 1   27   11    5 o  199.363   31.291   82.453   24.344   82.453   24.344   0.0000   0.0000  199.363   31.291  ?   ?       ?      ? 
1 1 1   27   11    6 o  181.028   45.391   67.472   22.220   67.599   22.531   62.971  134.202  177.197   33.816  184.860   84.249 -7.663452 90.78265 
1 1 1   27   11    7 o  286.204   47.136  264.033   37.488  274.677   38.947  129.838  138.286  366.210   27.253  206.197   90.246 160.0129 94.27126 
1 1 1   27   11    8 o  157.863   41.043   46.441   19.271   45.919   19.713   57.701   91.535  144.761   35.229  170.965   74.142 -26.20338 82.08624 
1 1 1   27   11    9 o  118.979   39.046   3.3199   11.549   2.1326   11.657   66.640   85.131   64.839   27.230  173.119   73.190 -108.2795 78.09142 
1 1 1   27   11   10 o  160.600   72.996   25.998   99.885   0.0000   0.0000   25.998   99.885  ?   ?   160.600   72.996      ?      ? 
1 1 1   27   11   11 o  193.465   40.936   98.785   24.255  102.392   24.744   10.236  122.614  222.856   28.452  164.075   76.769 58.78044 81.87217 
1 1 1   27   11   12 o  169.023   44.874   50.523   21.453   48.497   21.896   99.133  107.247  147.618   37.834  190.427   81.384 -42.80824 89.74892 
1 1 1   27   11   13 o  235.693   40.334  190.807   31.551  202.693   32.293 -58.8425  148.000  314.518   26.311  156.868   76.256 157.6498 80.66713 
1 1 1   27   11   14 o  128.782   39.358   24.303   15.465   25.342   15.600 -34.9537  117.845  108.771   33.475  148.793   71.243 -40.02191 78.71568 
1 1 1   27   11   15 o  128.209   40.426   19.522   31.885   30.184   33.079 -120.2649  119.775  124.538   48.055  131.879   65.022 -7.340637 80.85284 
1 1 1   27   12    0 o  135.776   46.464 -15.0689   44.360 -11.0138   46.355 -59.1623  152.856  109.438   49.736  162.113   78.497 -52.67563 92.92750 
1 1 1   27   12    1 o  127.015   40.438   21.023   16.992   23.002   17.111 -120.7153  144.820  105.835   35.319  148.196   72.756 -42.36109 80.87540 
1 1 1   27   12    2 o  187.035   48.773   63.644   21.098   62.607   21.299  117.854  153.987  170.624   33.183  203.446   91.728 -32.82196 97.54570 
1 1 1   27   12    3 o  140.522   42.956   30.169   18.003   31.573   18.123 -75.1715  157.005  120.723   35.857  160.321   78.072 -39.59818 85.91221 
1 1 1   27   12    4 o  245.683   54.581  128.189   28.245  124.656   28.607  265.445  178.299  245.520   29.857  245.845  104.999 -0.3247070 109.1615 
1 1 1   27   12    5 o  171.210   46.772   48.771   20.246   47.404   20.501  102.859  128.956  146.838   36.043  195.583   86.321 -48.74510 93.54412 
1 1 1   27   12    6 o  114.545   34.579   28.207   16.753   28.207   16.753   0.0000   0.0000  114.545   34.579  ?   ?       ?      ? 
1 1 1   27   12    7 o  252.501   29.429  131.832   28.998  131.832   28.998   0.0000   0.0000  252.501   29.429  ?   ?       ?      ? 
1 1 1   27   12    8 o  175.830   39.856   71.953   21.698   73.921   22.217   31.291  100.987  188.768   30.159  162.892   73.786 25.87587 79.71148 
1 1 1   27   12    9 o  226.120   46.029  122.341   26.161  121.367   26.808  141.809  119.806  242.706   28.305  209.534   87.599 33.17206 92.05874 
1 1 1   27   12   10 o  196.734   47.487   77.933   24.248   75.566   24.716  138.580  125.107  186.402   35.270  207.066   88.183 -20.66374 94.97443 
1 1 1   27   12   11 o  176.687   48.933   81.122   50.840  101.049   56.942   2.8112  112.883  195.808   64.387  157.565   73.703 38.24319 97.86632 
1 1 1   27   12   12 f  383.727   55.554  554.170   56.837  574.829   59.154  305.834  205.091  527.042   28.761  240.411  107.321 286.6312 111.1076 
1 1 1   27   12   13 o  207.457   92.691  159.449  153.350   0.0000   0.0000  159.449  153.350  ?   ?   207.457   92.691      ?      ? 
1 1 1   27   12   14 o  176.957   48.534   79.767   40.924   82.455   43.468   58.804  121.398  180.858   55.915  173.056   79.345 7.802032 97.06720 
1 1 1   27   13    0 o  246.383   52.210  155.396   32.762  154.193   33.305  191.345  182.055  272.083   31.368  220.684   99.597 51.39850 104.4201 
1 1 1   27   13    1 o  131.941   47.453 -83.9433   44.710 -96.7609   46.707   56.352  154.527   78.911   39.207  184.970   86.428 -106.0586 94.90535 
1 1 1   27   13    2 o  122.363   44.519   3.2790   13.198   3.3531   13.238  -8.9324  169.962   70.092   29.195  174.633   84.116 -104.5403 89.03844 
1 1 1   27   13    3 o  196.367   54.711   57.951   23.116   54.733   23.319  239.972  175.385  156.856   38.404  235.879  102.461 -79.02283 109.4220 
1 1 1   27   13    4 o  138.645   42.041   27.135   17.271   27.392   17.461   15.519  117.405  113.221   35.511  164.068   76.216 -50.84769 84.08263 
1 1 1   27   13    5 o  226.026   45.156  128.562   28.933  128.768   29.944  125.652  112.329  248.806   30.840  203.246   84.884 45.55948 90.31226 
1 1 1   27   13    6 o  271.751   44.712  245.036   37.961  259.874   39.693   86.056  129.928  354.934   28.657  188.568   84.709 166.3662 89.42478 
1 1 1   27   13    7 o  138.232   38.827   32.469   17.152   32.917   17.482   20.953   88.612  122.846   34.854  153.617   69.393 -30.77096 77.65414 
1 1 1   27   13    8 o  406.434   28.839  341.255   45.741  341.255   45.741   0.0000   0.0000  406.434   28.839  ?   ?       ?      ? 
1 1 1   27   13    9 o  165.662   37.190   60.730   23.453   60.730   23.453   0.0000   0.0000  165.662   37.190  ?   ?       ?      ? 
1 1 1   27   13   10 o  223.411   59.168  155.921   64.586  151.415   71.702  175.306  148.706  231.152   71.871  215.670   94.009 15.48161 118.3352 
1 1 1   27   13   11 o  149.399   46.291   27.697   54.723   63.990   63.257 -80.2447  109.093  164.295   65.527  134.504   65.404 29.79100 92.58185 
1 1 1   27   13   12 f  185.124   47.570   99.432   55.656  141.514   60.615 -126.6665  140.502  229.400   64.835  140.848   69.627 88.55269 95.13935 
1 1 1   27   13   13 o  217.008   55.074  148.539   56.579  149.859   61.907  141.841  139.410  234.742   65.234  199.274   88.754 35.46747 110.1490 
1 1 1   27   14    0 o  166.341   52.319   31.437   19.734   29.639   19.858  173.768  176.704  117.596   37.984  215.086   97.500 -97.48937 104.6372 
1 1 1   27   14    1 o  150.838   48.785   25.448   17.964   24.859   18.060   80.653  174.783  109.167   36.278  192.508   90.576 -83.34050 97.57082 
1 1 1   27   14    2 o  152.044   42.479   44.786   19.585   46.747   19.734 -83.8626  159.853  145.976   35.078  158.111   77.377 -12.13446 84.95707 
1 1 1   27   14    3 o  192.253   85.971   97.438  132.222   0.0000   0.0000   97.438  132.222  ?   ?   192.253   85.971      ?      ? 
1 1 1   27   14    4 o  142.529   37.858   43.112   20.065   46.673   20.486 -41.0449   99.584  145.413   36.232  139.645   66.484 5.767654 75.71581 
1 1 1   27   14    5 o  237.781   43.639  171.716   33.044  179.545   34.280   69.040  124.143  294.198   29.859  181.363   82.012 112.8354 87.27808 
1 1 1   27   14    6 o  144.521   43.968   20.448   17.391   18.007   17.650  101.810  101.902   97.980   35.647  191.063   80.388 -93.08255 87.93679 
1 1 1   27   14    7 o  190.588   54.421  103.128   63.639  120.283   74.847   58.366  120.900  204.804   73.562  176.372   80.220 28.43149 108.8418 
1 1 1   27   14    8 o  153.354   46.685   25.977   58.549   84.978   68.473 -134.4835  112.921  179.801   69.206  126.908   62.677 52.89352 93.36923 
1 1 1   27   14    9 o  219.171   70.412  158.754  119.346  410.747  218.280   51.299  142.538  261.167  113.867  177.176   82.859 83.99040 140.8235 
1 1 1   27   14   10 o  248.916   71.689  176.466   73.420  176.466   73.420   0.0000   0.0000  248.916   71.689  ?   ?       ?      ? 
1 1 1   27   14   11 o  169.009   69.657   71.350   74.242   71.350   74.242   0.0000   0.0000  169.009   69.657  ?   ?       ?      ? 
1 1 1   27   15    0 o  218.956   41.595  150.142   32.488  160.049   33.388 -26.0805  140.822  277.054   30.881  160.858   77.247 116.1953 83.19067 
1 1 1   27   15    1 o  247.141   48.516  170.029   34.789  171.276   35.861  150.079  143.412  285.827   32.150  208.454   91.551 77.37251 97.03236 
1 1 1   27   15    2 o  197.362   40.819  109.707   28.405  116.157   29.196  -4.4464  122.830  235.553   31.762  159.172   75.206 76.38089 81.63837 
1 1 1   27   15    3 o  116.294   38.597   10.607   14.341   11.090   14.474 -15.3572  106.126   83.437   31.890  149.151   70.298 -65.71353 77.19315 
1 1 1   27   15    4 f  194.310   47.014   87.450   28.005   86.971   28.631   98.053  134.696  198.203   38.403  190.417   85.828 7.786407 94.02760 
1 1 1   27   15    5 o  184.349   84.968   76.738  141.734   0.0000   0.0000   76.738  141.734  ?   ?   184.349   84.968      ?      ? 
1 1 1   27   15    6 o  166.533   54.574   21.282   63.163  -2.7577   69.377  137.729  152.692  131.620   60.212  201.446   91.036 -69.82614 109.1471 
1 1 1   27   15    7 o  220.084   56.272  164.768   66.744  182.368   73.274   79.005  161.748  254.530   71.056  185.638   87.276 68.89165 112.5436 
1 1 1   27   15    8 f  233.455   50.143  189.941   71.059  265.811   80.201 -87.0788  153.251  315.491   67.200  151.418   74.440 164.0726 100.2858 
1 1 1   27   15    9 o  132.517   61.105  -4.0360   73.427  -4.0360   73.427   0.0000   0.0000  132.517   61.105  ?   ?       ?      ? 
1 1 1   27   16    0 o  141.285   35.230   48.587   21.407   55.997   21.944 -97.4213   97.410  158.991   36.181  123.579   60.462 35.41196 70.46099 
1 1 1   27   16    1 o  225.706   42.311  157.196   34.476  167.497   36.039   46.088  118.359  281.685   32.785  169.728   78.012 111.9569 84.62156 
1 1 1   27   16    2 f  170.188   42.025   68.686   25.007   70.841   25.661   27.986  111.507  178.260   38.046  162.116   74.946 16.14375 84.04978 
1 1 1   27   16    3 o  127.498   39.386   24.630   18.150   26.752   18.339 -76.7215  126.759  111.885   36.528  143.111   69.791 -31.22677 78.77275 
1 1 1   27   16    4 o  228.780   52.056  186.164   67.241  227.150   73.496 -24.3066  166.551  292.185   66.014  165.376   80.506 126.8087 104.1111 
1 1 1   27   16    5 o  233.595   58.140  198.084   70.962  210.737   76.499  120.047  189.979  273.608   71.025  193.583   92.068 80.02466 116.2798 
1 1 1   27   16    6 f  191.390   64.766  112.843  137.661  151.368  193.942   73.724  195.432  198.322   93.942  184.458   89.182 13.86378 129.5320 
1 1 1   28    0    0 o  315.683   18.730  201.476   32.102  201.476   32.102  201.476   32.102  315.683   26.488  315.683   26.488 -0.000000 0.000000 
1 1 1   28    0    1 o  419.900   19.321  354.023   44.339  354.023   44.339  354.023   44.339  419.900   27.324  419.900   27.324 0.000000 0.000000 
1 1 1   28    0    2 o  206.490   22.589   90.605   23.908   90.605   23.908   90.605   23.908  206.490   31.945  206.490   31.945 -0.000000 0.000000 
1 1 1   28    0    3 o  362.855   18.661  264.936   36.915  264.936   36.915  264.936   36.915  362.855   26.390  362.855   26.390 0.000000 0.000000 
1 1 1   28    0    4 o  438.714   25.891  394.621   61.682  394.621   61.682  394.621   61.682  438.714   36.615  438.714   36.615 0.000000 0.000000 
1 1 1   28    0    5 o  455.978   18.933  416.633   47.269  416.633   47.269  416.633   47.269  455.978   26.776  455.978   26.776 -0.000000 0.000000 
1 1 1   28    0    6 f  390.290   18.414  305.966   39.257  305.966   39.257  305.966   39.257  390.290   26.041  390.290   26.041 -0.000000 0.000000 
1 1 1   28    0    7 o  273.503   18.261  152.173   26.999  152.173   26.999  152.173   26.999  273.503   25.826  273.503   25.826 0.000000 0.000000 
1 1 1   28    0    9 o  186.320   44.239   93.102   40.619   93.102   40.619   93.102   40.619  186.320   62.563  186.320   62.563 -0.000000 0.000000 
1 1 1   28    0   10 o  114.703   42.120   41.826   34.579   41.826   34.579   41.826   34.579  114.703   59.567  114.703   59.567 0.000000 0.000000 
1 1 1   28    0   11 o  252.324   37.746  148.096   46.238  148.096   46.238  148.096   46.238  252.324   53.380  252.324   53.380 -0.000000 0.000000 
1 1 1   28    0   12 o  137.956   44.319   59.407   36.501   59.407   36.501   59.407   36.501  137.956   62.677  137.956   62.677 0.000000 0.000000 
1 1 1   28    0   13 o   84.490   37.727   11.422   37.496   11.422   37.496   11.422   37.496   84.490   53.354   84.490   53.354 0.000000 0.000000 
1 1 1   28    0   14 o  116.412   57.842 -69.6957  143.384 -69.6957  143.384 -69.6957  143.384  116.412   81.801  116.412   81.801 0.000000 0.000000 
1 1 1   28    0   15 f  140.986   65.842   47.252  132.616   47.252  132.616   47.252  132.616  140.986   93.114  140.986   93.114 0.000000 0.000000 
1 1 1   28    0   16 o  224.365   51.798  139.709   56.804  139.709   56.804  139.709   56.804  224.365   73.253  224.365   73.253 0.000000 0.000000 
1 1 1   28    0   17 o  285.988   39.373  190.808   55.386  190.808   55.386  190.808   55.386  285.988   55.681  285.988   55.681 0.000000 0.000000 
1 1 1   28    0   18 o   75.456   36.250 -15.4563   45.668 -15.4563   45.668 -15.4563   45.668   75.456   51.265   75.456   51.265 -0.000000 0.000000 
1 1 1   28    1    0 o  152.537   23.535   49.510   13.663   40.427   19.287   58.660   19.359  137.535   35.644  167.540   30.742 -30.00514 47.06998 
1 1 1   28    1    1 o  292.397   18.397  171.521   20.949  156.884   28.966  187.575   30.334  279.154   26.590  305.641   25.433 -26.48727 36.79440 
1 1 1   28    1    2 o  139.571   21.431   41.075   11.676   27.498   16.620   54.304   16.406  114.730   34.398  164.413   25.570 -49.68299 42.86112 
1 1 1   28    1    3 o   93.436   22.377   16.774   9.7876   13.722   14.122   19.595   13.578   88.359   31.925   98.514   31.365 -10.15489 44.75487 
1 1 1   28    1    4 o  194.256   25.328   79.530   18.706   70.105   26.628   88.715   26.285  180.283   38.983  208.230   32.346 -27.94745 50.65554 
1 1 1   28    1    5 o  362.681   17.974  264.624   25.425  268.349   35.545  260.723   36.382  365.504   24.920  359.857   25.908 5.646729 35.94765 
1 1 1   28    1    6 o  346.012   18.678  241.425   25.200  238.419   34.865  244.714   36.466  343.945   25.976  348.079   26.846 -4.133606 37.35543 
1 1 1   28    1    7 o  376.127   18.544  285.593   27.205  284.611   37.839  286.644   39.141  375.655   25.812  376.599   26.633 -0.9439392 37.08853 
1 1 1   28    1    8 o  271.547   42.080  157.309   44.591  157.309   44.591   0.0000   0.0000  271.547   42.080  ?   ?       ?      ? 
1 1 1   28    1    9 o  345.187   26.375  261.875   30.694  276.483   36.165  224.255   58.038  370.026   25.045  320.347   46.426 49.67920 52.75060 
1 1 1   28    1   10 o  110.855   26.743  -0.6600   6.5933  -3.2288   6.7053   74.314   36.225   42.511   19.157  179.199   49.937 -136.6882 53.48555 
1 1 1   28    1   11 o  195.431   37.851   86.173   28.970   70.835   36.237  113.339   48.225  174.267   50.415  216.595   56.474 -42.32820 75.70277 
1 1 1   28    1   12 o  124.663   35.080   18.996   23.967   6.5119   28.539   48.865   44.144   99.234   42.186  150.093   56.062 -50.85855 70.16093 
1 1 1   28    1   13 o  161.851   38.590   63.889   31.932   86.238   38.494   14.578   57.180  190.790   50.799  132.911   58.104 57.87965 77.17949 
1 1 1   28    1   14 o  139.098   44.200   23.383   33.408   28.803   34.554 -54.3145  130.822  125.442   48.916  152.754   73.633 -27.31184 88.40015 
1 1 1   28    1   15 o  162.913   51.107   44.337   50.343   21.015  148.197   47.379   53.526  174.646   82.545  151.179   60.282 23.46700 102.2141 
1 1 1   28    1   16 o  202.964   41.620   97.833   34.678   72.395   44.018  139.452   56.303  171.913   56.614  234.015   61.022 -62.10197 83.23991 
1 1 1   28    1   17 o  132.376   37.161   30.257   30.167   50.407   39.958   3.5460   46.005  148.685   53.705  116.066   51.376 32.61876 74.32151 
1 1 1   28    1   18 o  126.705   36.530   26.769   28.411   26.398   38.522   27.212   42.070  125.104   50.698  128.307   52.606 -3.203789 73.05970 
1 1 1   28    1   19 o  429.097   76.153  154.033   49.706  113.510   50.229  2068.45  345.243  209.380   58.965  648.814  140.430 -439.4339 152.3066 
1 1 1   28    2    0 o  223.567   19.011  100.596   16.549   91.673   23.004  110.168   23.825  213.096   27.662  234.039   26.086 -20.94305 38.02232 
1 1 1   28    2    1 o  382.757   18.882  295.467   28.165  307.052   39.412  283.376   40.264  390.815   25.842  374.699   27.536 16.11517 37.76316 
1 1 1   28    2    2 o  278.058   18.967  155.839   20.561  156.291   28.483  155.347   29.711  278.686   26.190  277.431   27.443 1.255432 37.93434 
1 1 1   28    2    3 o  373.028   19.202  281.001   27.897  285.113   38.449  276.430   40.537  376.346   26.180  369.711   28.097 6.635223 38.40347 
1 1 1   28    2    4 o  412.990   25.344  352.932   40.834  344.132   57.799  361.701   57.696  407.516   36.345  418.462   35.331 -10.94608 50.68754 
1 1 1   28    2    5 o  286.084   22.240  168.094   24.259  163.054   38.229  171.491   31.388  280.993   34.863  291.175   27.623 -10.18216 44.47998 
1 1 1   28    2    6 o  305.401   27.668  181.788   26.457  172.684   29.384  220.781   60.811  292.748   25.721  318.054   48.995 -25.30621 55.33596 
1 1 1   28    2    7 o  367.448   26.420  282.025   32.583  282.047   37.664  281.960   64.955  373.879   25.815  361.017   46.106 12.86139 52.84081 
1 1 1   28    2    8 o  159.053   48.045   39.625   29.389   41.553   29.978  -8.0303  149.022  139.359   46.748  178.747   83.952 -39.38728 96.08993 
1 1 1   28    2    9 o  362.541   29.270  291.574   33.468  301.014   38.125  259.869   69.874  385.850   25.320  339.232   52.782 46.61880 58.54096 
1 1 1   28    2   10 o  290.360   32.937  208.695   28.154  227.047   32.146  148.260   58.336  335.151   24.578  245.569   61.117 89.58197 65.87387 
1 1 1   28    2   11 o  114.997   29.902   23.658   11.546   24.456   11.933   11.966   45.662  107.373   28.139  122.621   52.771 -15.24811 59.80482 
1 1 1   28    2   12 o  124.611   29.779   34.959   14.640   39.207   15.325  -9.4103   49.527  135.518   29.790  113.704   51.573 21.81409 59.55802 
1 1 1   28    2   13 o  194.996   40.055   98.431   32.378  109.365   38.291   71.000   60.649  218.483   46.346  171.509   65.344 46.97409 80.11086 
1 1 1   28    2   14 o  159.919   44.139   58.175   32.913   65.881   34.013 -55.2533  130.491  167.495   48.955  152.342   73.461 15.15372 88.27848 
1 1 1   28    2   15 f  166.419   35.438   72.478   32.166  107.360   36.670 -43.9343   66.989  217.077   44.774  115.760   54.943 101.3162 70.87656 
1 1 1   28    2   16 o  166.445   50.810   53.228   48.759   55.098  129.257   52.917   52.648  178.121   81.743  154.770   60.372 23.35106 101.6202 
1 1 1   28    2   17 o  202.594   44.779  124.001   42.080  140.698   44.742  -3.8967  123.828  245.790   48.369  159.397   75.374 86.39294 89.55880 
1 1 1   28    2   18 o  287.125   53.746  119.287   38.590   88.702   40.160  487.757  139.394  190.543   52.384  383.707   93.865 -193.1642 107.4925 
1 1 1   28    2   19 o  385.883   39.503  326.898   59.487  326.898   59.487   0.0000   0.0000  385.883   39.503  ?   ?       ?      ? 
1 1 1   28    3    0 o  146.878   23.145   45.970   12.918   42.169   18.891   49.308   17.704  140.520   34.664  153.236   30.677 -12.71530 46.28934 
1 1 1   28    3    1 o  138.208   22.321   39.562   11.725   48.279   17.990   33.126   15.459  151.339   31.486  125.077   31.647 26.26226 44.64159 
1 1 1   28    3    2 o  318.896   19.453  204.721   24.095  198.630   32.349  212.312   36.112  314.015   26.399  323.777   28.581 -9.761902 38.90687 
1 1 1   28    3    3 o  197.687   20.395   78.952   15.689   71.147   21.556   87.745   22.878  187.158   29.514  208.215   28.156 -21.05669 40.79023 
1 1 1   28    3    4 o  150.392   51.304   16.577   15.132   16.515   15.176   27.405  200.178   94.280   33.202  206.505   97.089 -112.2250 102.6087 
1 1 1   28    3    5 o  187.717   37.102   78.742   24.803   78.636   27.771   79.157   55.148  191.045   38.578  184.389   63.388 6.656204 74.20482 
1 1 1   28    3    6 o  207.327   34.590   90.597   20.362   88.926   21.827  101.807   56.530  209.756   26.665  204.898   63.834 4.857513 69.17968 
1 1 1   28    3    7 o  206.209   34.621  100.427   21.143  103.328   22.788   82.473   56.685  226.211   25.814  186.208   64.251 40.00349 69.24297 
1 1 1   28    3    8 o   96.013   31.784 -16.4805   19.134 -19.5490   20.522   3.9149   52.909   66.041   31.061  125.986   55.463 -59.94453 63.56882 
1 1 1   28    3    9 o  418.525   30.230  412.497   41.175  457.911   48.750  299.469   76.909  475.046   26.297  362.004   54.441 113.0415 60.45998 
1 1 1   28    3   10 o  218.452   34.320   74.937   17.297   67.915   17.984  161.655   63.199  183.082   25.171  253.821   63.859 -70.73842 68.64071 
1 1 1   28    3   11 o  155.446   34.497   49.353   15.807   49.097   16.436   52.509   57.691  152.549   28.662  158.343   62.758 -5.794174 68.99385 
1 1 1   28    3   12 o  180.875   34.868   79.183   19.056   81.576   20.012   55.910   62.412  200.183   25.617  161.566   64.862 38.61740 69.73692 
1 1 1   28    3   13 o  225.438   33.874  169.018   26.944  194.473   29.027   10.526   72.431  309.691   24.018  141.186   63.347 168.5045 67.74791 
1 1 1   28    3   14 o  238.321   44.856  171.341   27.005  174.994   27.384   42.184  162.820  293.735   23.890  182.908   86.472 110.8269 89.71166 
1 1 1   28    3   15 o  197.847   39.425   84.170   27.921   71.669   31.781  126.461   58.455  175.928   45.832  219.766   64.162 -43.83807 78.85043 
1 1 1   28    3   16 o  241.493   39.960  198.439   40.951  230.273   43.862 -17.8314  114.324  330.182   34.041  152.804   72.307 177.3787 79.91956 
1 1 1   28    3   17 o  337.009  142.192  980.207  320.276   0.0000   0.0000  980.207  320.276  ?   ?   337.009  142.192      ?      ? 
1 1 1   28    3   18 o  318.476   50.641   78.437   32.928   50.056   33.623  744.038  162.826  146.697   49.507  490.255   88.358 -343.5578 101.2822 
1 1 1   28    4    0 o  226.302   19.937  104.339   17.478  114.758   24.259   93.094   25.203  238.728   26.040  213.877   30.197 24.85104 39.87388 
1 1 1   28    4    1 o  506.246   28.207  505.120   46.073  480.507   51.744  599.294  101.216  487.794   27.183  524.699   49.432 -36.90509 56.41306 
1 1 1   28    4    2 f   90.861   30.619  -3.8388   13.386  -2.3373   13.741 -31.8192   59.317   64.880   28.420  116.843   54.243 -51.96326 61.23740 
1 1 1   28    4    3 o  193.424   35.555   92.546   21.599   97.579   22.979   54.381   63.280  219.850   26.783  166.997   65.874 52.85292 71.11047 
1 1 1   28    4    4 o  152.188   48.613   22.019   16.178   21.639   16.268   56.134  154.113  103.967   34.426  200.408   90.928 -96.43993 97.22632 
1 1 1   28    4    5 o  158.769   31.638   66.020   19.954   75.954   21.077 -19.8191   61.956  193.536   27.907  124.001   56.791 69.53486 63.27675 
1 1 1   28    4    6 o  224.883   38.432   92.543   26.892   77.476   29.457  167.930   65.889  188.019   41.278  261.748   64.841 -73.72932 76.86501 
1 1 1   28    4    7 o  225.653   35.434  149.630   25.520  166.860   27.645   50.300   66.375  287.751   24.618  163.554   66.454 124.1976 70.86714 
1 1 1   28    4    8 o  114.950   35.745   3.8265   19.059   0.6956   20.064   32.735   60.968   81.128   34.947  148.772   62.365 -67.64365 71.48936 
1 1 1   28    4    9 o  234.783   36.977   62.550   22.056   44.654   23.031  260.668   76.630  142.337   39.872  327.229   62.284 -184.8923 73.95341 
1 1 1   28    4   10 o  244.888   39.212  172.903   37.943  212.786   44.397   64.855   73.074  317.815   35.797  171.962   69.778 145.8533 78.42471 
1 1 1   28    4   11 o  206.028   34.978  125.856   23.043  136.721   24.350   32.716   71.293  259.903   24.008  152.152   65.708 107.7510 69.95686 
1 1 1   28    4   12 o  155.556   36.226   39.963   14.792   37.379   15.256   80.486   60.418  132.031   30.258  179.081   65.831 -47.05049 72.45158 
1 1 1   28    4   13 o  189.288   36.994   72.058   17.505   70.030   18.133   99.829   67.106  185.499   25.049  193.078   69.620 -7.578445 73.98888 
1 1 1   28    4   14 o  172.177   38.687   59.366   16.012   59.022   16.302   68.790   85.304  170.401   24.515  173.952   73.388 -3.551773 77.37463 
1 1 1   28    4   15 o   99.669   35.018   0.3842   7.3772   0.2031   7.4092   21.228   79.483   50.181   21.417  149.158   66.681 -98.97728 70.03645 
1 1 1   28    4   16 o  172.349   47.150   54.325   27.373   50.234   28.287  114.601  108.575  148.011   44.988  196.686   82.877 -48.67473 94.30069 
1 1 1   28    4   17 o  327.706  130.592  703.885  251.054   0.0000   0.0000  703.885  251.054  ?   ?   327.706  130.592      ?      ? 
1 1 1   28    4   18 o  119.679   56.291 -28.5894   67.410 -28.5894   67.410   0.0000   0.0000  119.679   56.291  ?   ?       ?      ? 
1 1 1   28    5    0 f  125.468   37.150   12.798   15.707   10.548   16.180   49.623   65.461   86.331   33.526  164.605   66.305 -78.27402 74.29913 
1 1 1   28    5    1 o  315.340   29.346  146.266   25.618  124.197   27.165  323.695   77.025  247.540   28.121  383.139   51.516 -135.5992 58.69158 
1 1 1   28    5    2 o  201.788   38.395   86.101   21.887   84.998   23.044   96.259   69.954  204.543   28.870  199.032   71.156 5.511398 76.78929 
1 1 1   28    5    3 o  289.389   35.655  168.247   27.213  161.258   29.227  213.782   74.603  282.549   26.507  296.229   66.201 -13.68042 71.31099 
1 1 1   28    5    4 o  138.193   43.003   25.843   16.723   27.439   16.820 -112.4772  156.547  114.308   34.679  162.079   78.705 -47.77054 86.00621 
1 1 1   28    5    5 o  186.019   39.812   59.605   19.085   55.678   19.779  112.589   72.654  162.008   32.417  210.030   72.726 -48.02216 79.62330 
1 1 1   28    5    6 o  342.576   33.622  207.793   38.088  169.720   42.414  366.394   86.568  283.841   38.292  401.310   55.277 -117.4691 67.24433 
1 1 1   28    5    7 o  175.425   54.552   28.536   21.735   25.741   21.920  192.313  167.797  113.933   39.918  236.917  101.540 -122.9842 109.1047 
1 1 1   28    5    8 o  137.235   29.270   48.510   17.720   58.442   18.278 -106.5962   72.232  169.285   27.669  105.185   51.588 64.10014 58.53921 
1 1 1   28    5    9 f  118.748   56.500 -52.5702   71.693   0.0000   0.0000 -52.5702   71.693  ?   ?   118.748   56.500      ?      ? 
1 1 1   28    5   10 o  211.425   36.814  129.052   34.210  162.339   39.089   20.117   70.712  277.097   36.148  145.753   64.144 131.3439 73.62801 
1 1 1   28    5   11 o  184.057   35.569   74.515   18.177   74.226   19.011   77.599   62.048  190.973   25.509  177.141   66.406 13.83197 71.13726 
1 1 1   28    5   12 o   90.469   29.864   16.471   12.246   16.471   12.246   0.0000   0.0000   90.469   29.864  ?   ?       ?      ? 
1 1 1   28    5   13 o  325.854   48.099  375.906   40.549  393.918   42.149  152.169  148.554  440.253   24.533  211.456   93.016 228.7976 96.19739 
1 1 1   28    5   14 o  131.585   35.389   29.889   13.132   30.365   13.339   14.835   75.011  119.068   28.980  144.102   64.574 -25.03344 70.77888 
1 1 1   28    5   15 o  183.943   37.753   90.022   19.723   93.339   20.078  -1.1330  105.244  214.382   24.000  153.503   71.591 60.87956 75.50688 
1 1 1   28    5   16 f  104.257   35.678   5.0743   8.5162   5.0552   8.5577   7.0274   86.635   62.117   24.310  146.396   67.087 -84.27931 71.35569 
1 1 1   28    5   17 o  242.978   48.578  102.063   20.257   97.423   20.542  265.668  121.974  218.704   24.069  267.252   94.127 -48.54770 97.15567 
1 1 1   28    5   18 o  256.331  101.170  297.079  149.340  297.079  149.340   0.0000   0.0000  256.331  101.170  ?   ?       ?      ? 
1 1 1   28    6    0 o  265.066   39.737  105.331   23.509   94.307   24.367  253.656   89.378  215.262   29.007  314.871   73.992 -99.60815 79.47446 
1 1 1   28    6    1 f  162.536   40.158   14.823   15.920   8.3496   16.293  151.402   74.837   83.348   33.251  241.723   73.109 -158.3750 80.31572 
1 1 1   28    6    2 o  152.889   35.446   55.452   20.280   61.277   20.986 -26.7596   78.837  170.054   32.812  135.724   62.840 34.33031 70.89126 
1 1 1   28    6    3 o  303.525   42.194  232.947   32.742  239.650   35.162  189.214   89.807  344.308   26.170  262.741   80.228 81.56699 84.38792 
1 1 1   28    6    4 o  274.809   55.113  178.712   29.943  177.117   30.359  235.644  181.418  295.834   26.297  253.783  107.044 42.05072 110.2266 
1 1 1   28    6    5 o  240.207   53.140  122.846   25.557  121.490   25.825  187.070  177.737  244.616   27.054  235.798  102.780 8.817551 106.2806 
1 1 1   28    6    6 o  157.062   41.854   20.483   15.672   16.097   15.978  131.674   80.448   94.017   33.961  220.108   76.509 -126.0914 83.70758 
1 1 1   28    6    7 o  290.990  122.885  445.994  239.551   0.0000   0.0000  445.994  239.551  ?   ?   290.990  122.885      ?      ? 
1 1 1   28    6    8 o  250.318   52.750  169.091   40.390  170.149   41.430  148.797  181.398  283.315   37.473  217.321   98.620 65.99471 105.4990 
1 1 1   28    6    9 f  194.802   88.876   82.508  149.856   0.0000   0.0000   82.508  149.856  ?   ?   194.802   88.876      ?      ? 
1 1 1   28    6   10 o  132.147   42.181   21.755   21.194   24.004   21.445 -72.3704  138.735  110.368   39.404  153.927   74.594 -43.55956 84.36217 
1 1 1   28    6   11 f  210.953   31.240  145.651   25.123  175.465   27.546  -1.8224   61.263  294.211   23.992  127.695   57.689 166.5162 62.47948 
1 1 1   28    6   12 o  195.207   26.108   77.842   19.889   77.842   19.889   0.0000   0.0000  195.207   26.108  ?   ?       ?      ? 
1 1 1   28    6   13 o  172.906   32.172   93.478   21.059  103.701   21.475 -163.0112  107.569  225.921   24.358  119.892   59.556 106.0285 64.34452 
1 1 1   28    6   14 o  204.693   42.189   94.551   20.066   94.033   20.474  107.154  101.046  215.074   24.394  194.312   80.775 20.76277 84.37795 
1 1 1   28    6   15 o  198.656   40.045  104.599   21.009  107.040   21.400   39.564  110.446  229.557   23.889  167.756   76.445 61.80086 80.09029 
1 1 1   28    6   16 o  172.791   38.973   64.942   17.129   65.376   17.412   51.921   95.372  178.962   24.932  166.620   73.851 12.34155 77.94606 
1 1 1   28    6   17 o  155.863   40.141   36.986   13.396   35.636   13.557   92.563   86.997  129.163   27.726  182.563   75.342 -53.39966 80.28130 
1 1 1   28    7    0 o  331.402   41.631  186.725   29.958  172.615   31.126  364.186  110.385  291.553   27.357  371.251   78.639 -79.69766 83.26155 
1 1 1   28    7    1 o  152.969   41.859   39.982   19.261   40.380   19.622   29.433  100.973  136.576   36.223  169.362   75.475 -32.78610 83.71754 
1 1 1   28    7    2 o  175.019   41.253   60.110   20.987   59.164   21.664   74.556   84.635  166.087   34.550  183.950   74.924 -17.86234 82.50638 
1 1 1   28    7    3 o  213.736   42.880   74.107   21.532   67.595   22.234  172.376   86.370  178.296   33.176  249.176   79.083 -70.87895 85.75965 
1 1 1   28    7    4 o  175.781   42.980   48.679   19.190   45.337   19.674  114.187   87.104  144.692   35.183  206.869   78.430 -62.17699 85.95967 
1 1 1   28    7    5 o  179.947   49.920   52.130   19.221   51.661   19.339   90.113  174.014  155.276   32.936  204.618   94.250 -49.34193 99.83917 
1 1 1   28    7    6 o  286.718   58.976  177.316   29.902  173.054   30.243  362.661  199.438  291.651   26.573  281.786  114.921 9.865112 117.9526 
1 1 1   28    7    7 o  412.594   67.062  501.402   51.385  496.191   52.488  621.511  251.973  492.984   27.283  332.205  131.319 160.7790 134.1236 
1 1 1   28    7    8 o  200.202   43.192  103.857   23.793  106.786   24.079 -16.9028  154.599  228.661   26.985  171.744   82.061 56.91751 86.38358 
1 1 1   28    7    9 o  214.177   95.872  153.652  164.873   0.0000   0.0000  153.652  164.873  ?   ?   214.177   95.872      ?      ? 
1 1 1   28    7   10 o  199.115   49.669   90.817   30.035   90.826   30.536   90.534  166.441  202.400   40.079  195.830   90.895 6.569183 99.33848 
1 1 1   28    7   11 o  227.699   45.330  133.905   25.143  134.749   25.634  112.517  129.093  257.085   25.551  198.314   86.985 58.77048 90.65998 
1 1 1   28    7   12 o  143.715   31.515   44.516   17.188   44.516   17.188   0.0000   0.0000  143.715   31.515  ?   ?       ?      ? 
1 1 1   28    7   13 o  128.714   40.762   12.506   12.703   11.455   12.820   69.155   94.123   81.700   30.271  175.728   75.695 -94.02810 81.52393 
1 1 1   28    7   14 o  129.446   29.610   35.969   14.633   35.969   14.633   0.0000   0.0000  129.446   29.610  ?   ?       ?      ? 
1 1 1   28    7   15 o  114.403   30.046   28.201   13.586   28.201   13.586   0.0000   0.0000  114.403   30.046  ?   ?       ?      ? 
1 1 1   28    7   16 o  131.707   31.840   41.509   14.709   45.617   14.876 -137.8653   98.301  146.926   26.938  116.487   57.702 30.43937 63.68047 
1 1 1   28    7   17 o  175.468   24.691   63.008   16.907   63.008   16.907   0.0000   0.0000  175.468   24.691  ?   ?       ?      ? 
1 1 1   28    8    0 o  212.244   42.541   79.659   22.069   74.400   22.827  154.846   86.318  190.085   30.773  234.402   79.322 -44.31703 85.08240 
1 1 1   28    8    1 o  230.483   41.309  157.236   28.918  166.047   30.010   42.713  108.192  285.719   26.915  175.247   78.110 110.4719 82.61729 
1 1 1   28    8    2 o  137.548   40.503   30.091   17.568   31.743   17.766 -42.6928  117.944  121.534   35.341  153.561   72.890 -32.02703 81.00608 
1 1 1   28    8    3 o  156.860   50.669   22.265   17.373   21.180   17.471  118.929  164.936  103.473   35.672  210.247   94.851 -106.7743 101.3371 
1 1 1   28    8    4 o  233.817   50.492  133.204   27.695  133.353   28.031  127.122  179.221  255.345   28.131  212.289   96.986 43.05547 100.9837 
1 1 1   28    8    5 f  214.856   50.602   95.570   24.217   94.586   24.463  143.782  171.223  214.550   29.218  215.162   96.895 -0.6119690 101.2041 
1 1 1   28    8    6 o  208.896   46.892  104.651   24.868  105.797   25.147   53.724  167.625  227.112   28.373  190.679   89.390 36.43326 93.78487 
1 1 1   28    8    7 o  286.375   52.606  238.753   34.924  239.918   35.595  208.700  180.721  342.844   26.605  229.906  101.793 112.9385 105.2119 
1 1 1   28    8    8 o  460.468   72.036  668.374   61.871  659.654   63.297  855.422  293.148  566.185   28.648  354.752  141.195 211.4326 144.0723 
1 1 1   28    8    9 o  131.042   65.488 -213.2262  138.519   0.0000   0.0000 -213.2262  138.519  ?   ?   131.042   65.488      ?      ? 
1 1 1   28    8   10 o  197.955   73.016  108.345   74.418   0.0000   0.0000  108.345   74.418  ?   ?   197.955   73.016      ?      ? 
1 1 1   28    8   11 o  183.492   43.182   65.073   19.987   63.268   20.408  107.483   98.926  172.005   31.567  194.979   80.389 -22.97485 86.36499 
1 1 1   28    8   12 o  217.018   26.570   96.441   22.502   96.441   22.502   0.0000   0.0000  217.018   26.570  ?   ?       ?      ? 
1 1 1   28    8   13 o  209.985   41.035  129.355   25.170  134.173   25.603  -9.7646  137.579  256.319   25.596  163.650   77.976 92.66907 82.06979 
1 1 1   28    8   14 o  124.173   38.248   22.214   14.044   23.484   14.138 -72.5710  122.127  105.010   31.780  143.336   69.583 -38.32581 76.49693 
1 1 1   28    8   15 o  129.578   35.534   33.137   14.916   35.663   15.048 -108.8602  112.828  128.403   30.486  130.753   64.198 -2.349655 71.06869 
1 1 1   28    8   16 o  140.958   30.180   42.884   16.101   42.884   16.101   0.0000   0.0000  140.958   30.180  ?   ?       ?      ? 
1 1 1   28    9    0 o  168.743   50.229   37.741   18.943   36.577   19.077  119.951  160.327  129.597   36.283  207.890   93.677 -78.29379 100.4585 
1 1 1   28    9    1 o  268.048   56.124  169.852   31.174  167.103   31.575  276.118  196.326  285.573   28.333  250.523  108.614 35.04956 112.2483 
1 1 1   28    9    2 o  241.548   51.991  146.182   29.202  146.113   29.519  149.357  199.782  266.994   28.331  216.103  100.049 50.89052 103.9829 
1 1 1   28    9    3 o  240.150   29.316  118.674   27.473  118.674   27.473   0.0000   0.0000  240.150   29.316  ?   ?       ?      ? 
1 1 1   28    9    4 o  136.732   43.763   22.915   18.137   23.857   18.270 -41.0930  150.634  108.045   36.494  165.420   79.555 -57.37526 87.52584 
1 1 1   28    9    5 o  122.305   41.887   10.009   14.816   10.598   14.899 -42.9063  141.187   83.635   32.256  160.976   77.315 -77.34085 83.77367 
1 1 1   28    9    6 o  189.619   42.887   90.918   25.250   94.525   25.583 -45.2952  157.215  213.516   30.703  165.722   80.090 47.79407 85.77393 
1 1 1   28    9    7 o  208.330   50.435   88.313   23.907   87.112   24.135  150.884  174.239  205.095   30.155  211.565   96.256 -6.469711 100.8694 
1 1 1   28    9    8 o  245.249   43.607  202.776   33.474  211.919   34.022 -74.1313  187.244  321.569   27.112  168.928   82.893 152.6418 87.21370 
1 1 1   28    9    9 o  141.869   42.530   30.083   20.507   30.217   20.871   26.337  110.357  118.892   38.975  164.846   75.606 -45.95419 85.06074 
1 1 1   28    9   10 o  164.428   40.645   56.897   20.230   57.511   20.683   43.325   97.183  162.891   33.651  165.965   73.997 -3.073959 81.28941 
1 1 1   28    9   11 o  171.957   36.218   83.191   27.783   96.532   28.751 -105.0318  107.993  213.686   34.478  130.227   63.703 83.45860 72.43536 
1 1 1   28    9   12 o  103.407   41.359   15.704   25.274   15.704   25.274   0.0000   0.0000  103.407   41.359  ?   ?       ?      ? 
1 1 1   28    9   13 o  206.602   43.258  117.230   25.005  120.134   25.318   2.1425  159.381  241.863   26.824  171.340   82.253 70.52290 86.51678 
1 1 1   28    9   14 o  163.712   44.020   46.752   17.384   46.128   17.556   78.201  124.617  145.892   31.739  181.532   82.121 -35.63988 88.04075 
1 1 1   28    9   15 o  173.449   39.528   75.293   20.339   78.040   20.548 -57.3916  142.815  194.479   27.075  152.420   74.275 42.05978 79.05631 
1 1 1   28   10    0 o  133.119   49.940  -8.6702   13.613  -9.4750   13.652  134.290  181.947   57.115   26.340  209.123   96.343 -152.0085 99.87916 
1 1 1   28   10    1 o  160.437   52.710   19.532   16.951   17.942   17.031  186.812  174.703   97.584   35.086  223.290   99.410 -125.7062 105.4201 
1 1 1   28   10    2 o  260.048   55.783  146.193   28.963  142.253   29.335  298.658  182.477  262.992   28.583  257.104  107.841 5.888000 111.5652 
1 1 1   28   10    3 o  241.051   45.619  180.293   33.166  186.655   33.791   13.065  173.233  301.105   28.758  180.997   86.587 120.1085 91.23791 
1 1 1   28   10    4 o  346.772   28.269  247.240   38.255  247.240   38.255   0.0000   0.0000  346.772   28.269  ?   ?       ?      ? 
1 1 1   28   10    5 o  269.950   54.387  182.861   33.106  179.923   33.692  265.194  178.331  295.213   29.245  244.687  104.769 50.52644 108.7742 
1 1 1   28   10    6 o  268.960   56.694  169.094   31.271  165.172   31.671  321.538  197.458  283.084   28.669  254.835  109.705 28.24875 113.3888 
1 1 1   28   10    7 o  193.690   42.380  101.135   25.495  105.455   25.759 -106.3068  178.499  225.916   29.218  161.464   79.564 64.45203 84.75925 
1 1 1   28   10    8 o  217.343   41.565  142.385   28.788  149.330   29.474  -1.6522  134.231  269.384   28.037  165.303   78.259 104.0800 83.13009 
1 1 1   28   10    9 o  207.565   47.145   89.120   27.557   84.232   28.523  157.616  106.769  195.150   38.820  219.981   85.929 -24.83171 94.29081 
1 1 1   28   10   10 o  197.209   41.871   99.692   24.872  102.290   25.462   45.530  116.256  222.307   29.350  172.111   78.429 50.19554 83.74131 
1 1 1   28   10   11 o  130.855   39.258   27.223   16.896   28.890   17.071 -52.7976  118.273  115.591   34.908  146.120   70.328 -30.52885 78.51522 
1 1 1   28   10   12 o   93.294   35.037   15.193   17.288   15.193   17.288   0.0000   0.0000   93.294   35.037  ?   ?       ?      ? 
1 1 1   28   10   13 o  257.130   47.635  200.050   32.101  202.757   32.777  136.379  158.948  313.978   26.751  200.283   91.437 113.6950 95.26987 
1 1 1   28   10   14 o  115.767   41.049 -11.2055   24.249 -10.1697   24.652 -42.1295  134.697   79.235   36.110  152.299   73.731 -73.06460 82.09888 
1 1 1   28   11    0 o  140.916   49.516 -25.4655   41.119 -30.0797   42.361   49.768  171.053   95.186   44.723  186.645   88.358 -91.45915 99.03147 
1 1 1   28   11    1 o  104.293   42.259 -19.9072   8.8001 -19.9870   8.8143   4.7239  154.854   34.973   17.316  173.613   82.724 -138.6398 84.51714 
1 1 1   28   11    2 o  255.910   54.034  152.465   30.347  149.126   30.812  260.501  175.268  268.613   29.394  243.206  103.993 25.40704 108.0674 
1 1 1   28   11    3 o  198.841   44.477  100.986   26.867  103.822   27.261   5.0314  158.587  223.276   31.287  174.405   83.271 48.87102 88.95488 
1 1 1   28   11    4 f  156.045   47.563   34.595   19.596   34.128   19.749   64.429  157.792  124.910   37.507  187.180   87.419 -62.27071 95.12563 
1 1 1   28   11    5 o  152.814   36.366   51.465   21.373   51.465   21.373   0.0000   0.0000  152.814   36.366  ?   ?       ?      ? 
1 1 1   28   11    6 o  197.830   30.444   81.288   23.503   81.288   23.503   0.0000   0.0000  197.830   30.444  ?   ?       ?      ? 
1 1 1   28   11    7 o  151.565   40.469   46.102   19.385   47.752   19.673  -9.0586  113.749  147.694   34.718  155.436   73.113 -7.741974 80.93774 
1 1 1   28   11    8 o  200.506   42.995   97.749   25.354   98.736   26.054   80.102  110.161  217.862   30.645  183.149   80.343 34.71307 85.98903 
1 1 1   28   11    9 o  128.526   41.736   9.5375   14.295   8.2212   14.443   72.770  100.108   79.146   31.391  177.906   77.345 -98.75983 83.47221 
1 1 1   28   11   10 o  246.669   44.383  195.920   33.830  203.923   34.726   46.866  149.861  314.273   28.315  179.064   84.129 135.2092 88.76598 
1 1 1   28   11   11 o  189.278   42.683   91.216   24.300   93.918   24.605 -15.9905  154.993  212.565   29.662  165.991   80.047 46.57440 85.36635 
1 1 1   28   11   12 o   82.771   31.885   10.693   14.544   10.693   14.544   0.0000   0.0000   82.771   31.885  ?   ?       ?      ? 
1 1 1   28   11   13 o  174.637   41.688   80.532   27.168   85.508   27.675 -51.6691  142.640  196.315   37.492  152.960   74.471 43.35423 83.37604 
1 1 1   28   12    0 o  106.336   42.064 -17.8356   11.613 -17.7334   11.642 -38.4111  165.206   45.091   21.792  167.580   81.255 -122.4885 84.12705 
1 1 1   28   12    1 o  193.932   54.964   94.677   49.751   94.786   51.982   93.491  171.671  192.573   61.376  195.292   91.199 -2.719009 109.9290 
1 1 1   28   12    2 o  265.932   56.246  180.300   39.406  175.619   40.268  286.060  191.399  287.384   35.906  244.480  106.608 42.90367 112.4922 
1 1 1   28   12    3 o  129.787   45.786   7.2602   14.960   7.0299   15.023   34.571  163.599   78.554   31.721  181.021   85.902 -102.4667 91.57149 
1 1 1   28   12    4 o  265.607   50.510  217.190   37.220  220.200   37.895  134.910  198.140  325.967   29.790  205.248   96.528 120.7187 101.0207 
1 1 1   28   12    5 o  200.375   43.568  107.770   28.404  111.879   28.919  -4.4794  151.160  231.256   32.045  169.493   81.029 61.76321 87.13554 
1 1 1   28   12    6 o  121.356   38.283   16.025   16.236   16.468   16.494   2.2322   92.048   94.461   34.446  148.250   68.380 -53.78937 76.56586 
1 1 1   28   12    7 o   83.702   32.406   10.629   15.082   10.629   15.082   0.0000   0.0000   83.702   32.406  ?   ?       ?      ? 
1 1 1   28   12    8 o  221.047   35.487  104.049   30.612  104.049   30.612   0.0000   0.0000  221.047   35.487  ?   ?       ?      ? 
1 1 1   28   12    9 o  204.222   43.620  110.996   26.355  113.577   26.807   36.422  144.106  233.929   29.365  174.515   82.150 59.41464 87.24096 
1 1 1   28   12   10 o  117.966   39.702   13.355   14.199   14.480   14.264 -108.9582  148.751   88.517   32.070  147.415   72.639 -58.89781 79.40391 
1 1 1   28   12   11 o  204.357   43.469  115.642   26.704  118.668   27.069   5.8630  163.035  238.897   29.036  169.818   81.945 69.07823 86.93734 
1 1 1   28   13    0 o  307.355   50.552  333.320   45.251  343.959   46.534  148.273  194.075  407.669   29.250  207.042   96.781 200.6267 101.1046 
1 1 1   28   13    1 o  245.038   52.725  143.296   30.212  140.670   30.672  228.729  174.932  260.208   30.206  229.867  101.031 30.34053 105.4495 
1 1 1   28   13    2 o  162.175   52.886   29.874   50.665   25.458   53.182   73.232  166.647  135.530   57.601  188.820   88.713 -53.28938 105.7726 
1 1 1   28   13    3 o  175.842   83.521   24.101  155.351   0.0000   0.0000   24.101  155.351  ?   ?   175.842   83.521      ?      ? 
1 1 1   28   13    4 f  169.041   44.487   60.056   23.612   60.879   23.994   34.865  132.721  165.466   37.965  172.616   80.469 -7.149857 88.97491 
1 1 1   28   13    5 o  156.771   42.595   46.927   21.555   46.925   22.014   46.958  106.053  144.890   38.339  168.652   76.075 -23.76265 85.18954 
1 1 1   28   13    6 o  118.000   37.417   15.831   17.433   17.446   17.734 -30.5632   95.048   97.102   35.670  138.898   65.786 -41.79629 74.83404 
1 1 1   28   13    7 o  208.396   43.332  119.165   29.967  123.058   30.884   56.574  123.850  241.665   32.748  175.128   80.238 66.53751 86.66384 
1 1 1   28   13    8 o  188.420   85.937   96.895  139.966   0.0000   0.0000   96.895  139.966  ?   ?   188.420   85.937      ?      ? 
1 1 1   28   13    9 f   53.456   24.248  -5.4280   10.952  -5.4280   10.952   0.0000   0.0000   53.456   24.248  ?   ?       ?      ? 
1 1 1   28   13   10 o  265.353   30.686  147.757   31.776  147.757   31.776   0.0000   0.0000  265.353   30.686  ?   ?       ?      ? 
1 1 1   28   14    0 o  257.030   48.051  192.944   35.850  195.779   37.085  152.464  140.138  306.056   31.050  208.005   90.948 98.05200 96.10176 
1 1 1   28   14    1 o  175.594   47.370   57.571   24.197   55.501   24.645  112.897  127.428  156.707   40.127  194.480   85.823 -37.77328 94.74025 
1 1 1   28   14    2 o  210.030   45.048  116.926   29.094  119.060   29.728   68.506  141.615  238.144   31.989  181.916   84.226 56.22806 90.09578 
1 1 1   28   14    3 o  154.052   47.053   28.708   19.626   26.527   19.864  117.970  127.088  112.363   38.052  195.740   86.070 -83.37710 94.10654 
1 1 1   28   14    4 o  136.116   66.211 -79.0580  112.064   0.0000   0.0000 -79.0580  112.064  ?   ?   136.116   66.211      ?      ? 
1 1 1   28   14    5 o  132.106   43.779 -12.8303   53.210   12.241   59.606 -111.2133  118.076  131.288   58.278  132.924   65.347 -1.635498 87.55865 
1 1 1   28   14    6 o  124.431   37.751   25.342   18.789   28.814   19.018 -116.2073  121.441  115.434   37.160  133.429   65.725 -17.99549 75.50283 
1 1 1   28   14    7 o  132.885   40.940   39.845   23.326   39.845   23.326   0.0000   0.0000  132.885   40.940  ?   ?       ?      ? 
1 1 1   28   15    0 o  155.928   39.911   56.025   23.670   58.884   24.423   11.804   96.048  161.418   39.170  150.439   69.551 10.97844 79.82227 
1 1 1   28   15    1 o  217.306   41.345  145.689   32.885  155.465   34.223   27.974  118.757  271.348   32.319  163.264   76.112 108.0838 82.68932 
1 1 1   28   15    2 o  124.720   41.125   12.865   17.271   12.659   17.473   21.616  113.894   89.639   34.831  159.802   74.511 -70.16300 82.25017 
1 1 1   28   15    3 o  184.660   42.720   85.116   24.882   87.333   25.256   11.883  145.159  203.522   31.799  165.798   79.302 37.72380 85.43989 
1 1 1   29    0    0 o  261.366   20.730  141.131   28.936  141.131   28.936  141.131   28.936  261.366   29.317  261.366   29.317 -0.000000 0.000000 
1 1 1   29    0    1 o   93.879   29.611   25.738   16.285   25.738   16.285   25.738   16.285   93.879   41.876   93.879   41.876 0.000000 0.000000 
1 1 1   29    0    2 o  222.059   21.488  103.656   24.934  103.656   24.934  103.656   24.934  222.059   30.388  222.059   30.388 0.000000 0.000000 
1 1 1   29    0    3 o  155.639   25.538   55.527   19.081   55.527   19.081   55.527   19.081  155.639   36.117  155.639   36.117 -0.000000 0.000000 
1 1 1   29    0    4 o  216.766   22.196   99.533   24.933   99.533   24.933   99.533   24.933  216.766   31.390  216.766   31.390 -0.000000 0.000000 
1 1 1   29    0    5 o  155.097   30.594   58.540   22.656   58.540   22.656   58.540   22.656  155.097   43.266  155.097   43.266 -0.000000 0.000000 
1 1 1   29    0    6 o  422.450   19.035  359.858   43.965  359.858   43.965  359.858   43.965  422.450   26.919  422.450   26.919 0.000000 0.000000 
1 1 1   29    0    7 o   87.682   28.722   22.821   15.362   22.821   15.362   22.821   15.362   87.682   40.619   87.682   40.619 0.000000 0.000000 
1 1 1   29    0    8 o   65.571   24.460   12.666   11.800   12.666   11.800   12.666   11.800   65.571   34.592   65.571   34.592 0.000000 0.000000 
1 1 1   29    0    9 o   72.710   33.758  -1.1593   34.075  -1.1593   34.075  -1.1593   34.075   72.710   47.741   72.710   47.741 -0.000000 0.000000 
1 1 1   29    0   10 o  274.285   38.114  174.058   51.340  174.058   51.340  174.058   51.340  274.285   53.901  274.285   53.901 0.000000 0.000000 
1 1 1   29    0   11 o   79.873   35.860   8.8192   34.391   8.8192   34.391   8.8192   34.391   79.873   50.713   79.873   50.713 -0.000000 0.000000 
1 1 1   29    0   12 o  175.405   49.457   92.543   46.332   92.543   46.332   92.543   46.332  175.405   69.943  175.405   69.943 -0.000000 0.000000 
1 1 1   29    0   13 o  462.147   30.282  453.075   75.709  453.075   75.709  453.075   75.709  462.147   42.825  462.147   42.825 -0.000000 0.000000 
1 1 1   29    0   14 f  166.779   52.782   90.629   51.736   90.629   51.736   90.629   51.736  166.779   74.645  166.779   74.645 -0.000000 0.000000 
1 1 1   29    0   15 o  111.102   53.299  -7.9592   98.020  -7.9592   98.020  -7.9592   98.020  111.102   75.377  111.102   75.377 -0.000000 0.000000 
1 1 1   29    0   16 o   90.348   41.120   10.765   47.143   10.765   47.143   10.765   47.143   90.348   58.152   90.348   58.152 -0.000000 0.000000 
1 1 1   29    0   17 o  134.435   50.599   63.729   50.849   63.729   50.849   63.729   50.849  134.435   71.558  134.435   71.558 -0.000000 0.000000 
1 1 1   29    1    0 o  439.414   19.067  391.510   32.689  390.073   45.712  393.014   46.763  438.753   26.698  440.075   27.230 -1.322784 38.13471 
1 1 1   29    1    1 o  133.364   23.420   38.025   12.211   44.731   17.543   31.722   17.006  144.917   31.886  121.812   34.312 23.10561 46.84029 
1 1 1   29    1    2 o  283.457   18.926  162.672   20.916  153.694   28.978  172.436   30.220  275.219   26.981  291.695   26.548 -16.47644 37.85170 
1 1 1   29    1    3 o  183.485   21.220   69.946   14.683   57.535   20.379   83.342   21.173  164.308   32.931  202.662   26.771 -38.35445 42.43966 
1 1 1   29    1    4 o  266.762   18.587  144.255   19.342  142.215   26.898  146.439   27.833  264.913   26.018  268.612   26.552 -3.699127 37.17473 
1 1 1   29    1    5 o  178.579   25.688   69.050   17.281   66.791   24.844   71.168   24.053  175.162   37.478  181.996   35.140 -6.833969 51.37505 
1 1 1   29    1    6 o  225.654   19.224  104.449   16.722  122.571   23.673   86.398   23.626  246.183   24.641  205.125   29.514 41.05800 38.44835 
1 1 1   29    1    7 o   76.796   20.548   9.1145   8.5447   5.6851   12.661   11.983   11.579   72.395   29.161   81.197   28.958 -8.801529 41.09660 
1 1 1   29    1    8 o  252.880   28.840  133.853   23.280  129.001   26.481  150.362   48.844  251.340   26.998  254.419   50.972 -3.079300 57.68072 
1 1 1   29    1    9 o  291.945   30.745  187.007   35.017  190.889   49.400  183.086   49.645  295.459   42.845  288.430   44.107 7.028900 61.49024 
1 1 1   29    1   10 o  144.511   32.547   27.577   12.858   22.646   13.400   84.895   45.686  103.450   30.857  185.573   57.316 -82.12337 65.09413 
1 1 1   29    1   11 o  198.232   38.255   99.040   32.873  133.827   43.964   54.929   49.507  240.372   48.540  156.091   59.140 84.28145 76.50982 
1 1 1   29    1   12 o  129.169   36.788   28.287   28.972   40.515   35.397   3.4704   50.427  137.659   50.420  120.679   53.584 16.97977 73.57661 
1 1 1   29    1   13 o  441.846   47.963  442.308   82.701   0.0000   0.0000  442.308   82.701  ?   ?   441.846   47.963      ?      ? 
1 1 1   29    1   14 o  280.608   60.636  197.554   64.461   0.0000   0.0000  197.554   64.461  ?   ?   280.608   60.636      ?      ? 
1 1 1   29    1   15 o  168.188   48.973   54.445   40.935   44.391   44.736  106.185  101.484  144.391   55.837  191.985   80.470 -47.59422 97.94505 
1 1 1   29    1   16 o  167.244   48.313   65.519   44.743   51.832  105.440   68.524   49.412  168.458   75.933  166.029   59.755 2.428223 96.62562 
1 1 1   29    1   17 o  230.102   39.636  132.281   35.510  109.062   48.727  158.578   51.858  205.824   58.116  254.380   53.914 -48.55525 79.27266 
1 1 1   29    2    0 o  342.438   18.732  235.691   24.924  210.180   33.647  266.710   37.102  321.929   26.783  362.946   26.196 -41.01672 37.46371 
1 1 1   29    2    1 o  147.226   23.693   46.345   13.435   58.885   19.467   34.941   18.565  167.055   31.002  127.396   35.837 39.65893 47.38588 
1 1 1   29    2    2 o  122.069   23.958   32.014   11.828   29.694   17.428   33.995   16.105  118.138   35.180  126.001   32.530 -7.863274 47.91500 
1 1 1   29    2    3 o  327.953   19.392  216.938   24.702  192.051   33.340  247.230   36.782  307.079   27.822  348.828   27.020 -41.74835 38.78328 
1 1 1   29    2    4 o  274.139   19.665  153.452   20.994  159.463   29.189  147.010   30.216  280.171   26.697  268.108   28.880 12.06250 39.32938 
1 1 1   29    2    5 o  169.725   23.627   60.964   15.015   55.177   19.994   68.449   22.737  160.536   33.017  178.913   33.805 -18.37717 47.25353 
1 1 1   29    2    6 o  264.348   33.497  146.275   29.928  134.402   34.656  181.099   59.351  253.156   35.080  275.540   57.074 -22.38449 66.99309 
1 1 1   29    2    7 o  117.744   33.559   18.047   15.097   16.677   15.796   32.492   51.290   94.480   33.809  141.009   57.981 -46.52946 67.11826 
1 1 1   29    2    8 o  276.196   32.902  179.204   27.256  185.906   30.833  155.245   58.302  302.084   26.155  250.308   60.383 51.77605 65.80415 
1 1 1   29    2    9 o  253.883   36.315  150.204   34.762  153.766   45.379  145.145   54.079  264.300   43.998  243.465   57.786 20.83467 72.62908 
1 1 1   29    2   10 o  132.511   33.620   28.777   12.777   27.731   13.150   46.433   54.028  113.822   29.399  151.200   60.472 -37.37735 67.23985 
1 1 1   29    2   11 o  219.682   33.752  103.919   21.195  100.955   22.948  121.114   55.277  222.169   26.469  217.194   62.099 4.974869 67.50479 
1 1 1   29    2   12 o  349.301   31.804  283.302   33.444  293.637   38.100  248.606   69.810  379.291   25.741  319.310   58.167 59.98120 63.60849 
1 1 1   29    2   13 o  157.343   35.924   57.008   32.497   98.364   38.982 -37.2146   58.839  204.264   49.436  110.421   52.135 93.84277 71.84714 
1 1 1   29    2   14 o  196.723   36.358  104.667   34.974  147.704   42.322   11.981   62.108  259.399   41.808  134.046   59.496 125.3529 72.71661 
1 1 1   29    2   15 o  185.980   44.817   94.142   37.209  102.385   39.939   39.953  102.402  207.431   49.938  164.529   74.435 42.90199 89.63440 
1 1 1   29    2   16 o  130.045   42.982  -8.9907   38.150   38.075   97.623 -17.4740   41.446  160.958   72.761   99.132   45.780 61.82644 85.96478 
1 1 1   29    2   17 o  165.803   53.195   44.866   78.757   92.350   95.329 -57.2290  139.782  181.138   77.054  150.467   73.359 30.67076 106.3902 
1 1 1   29    3    0 o  245.840   19.367  122.640   18.560  116.583   25.568  129.387   26.984  239.446   27.363  252.234   27.414 -12.78784 38.73310 
1 1 1   29    3    1 o  245.076   20.739  123.706   19.681  134.101   27.086  112.080   28.646  256.918   27.016  233.235   31.473 23.68318 41.47773 
1 1 1   29    3    2 o  245.341   20.531  122.585   19.604  116.421   26.560  129.960   29.055  238.799   28.502  251.883   29.559 -13.08336 41.06160 
1 1 1   29    3    3 o  295.275   20.218  179.977   23.021  197.405   31.406  159.740   33.843  312.130   25.784  278.420   31.148 33.71033 40.43525 
1 1 1   29    3    4 o  365.229   32.428  309.953   35.807  325.418   40.984  260.073   73.602  400.345   26.233  330.112   59.315 70.23270 64.85675 
1 1 1   29    3    5 o  180.246   43.507   68.520   20.409   69.743   20.631   12.743  139.315  184.547   28.647  175.945   82.162 8.601791 87.01305 
1 1 1   29    3    6 o  306.446   36.409  225.691   38.242  247.625   46.876  182.041   66.128  343.479   34.972  269.414   63.870 74.06433 72.81766 
1 1 1   29    3    7 o  212.271   33.754   73.990   19.065   64.703   20.173  151.704   58.352  177.373   29.143  247.168   60.894 -69.79445 67.50855 
1 1 1   29    3    8 o  330.617   27.646  231.046   29.660  228.344   33.731  240.252   62.273  334.887   25.811  326.348   48.898 8.538910 55.29212 
1 1 1   29    3    9 o  271.826   37.091  183.863   38.009  260.707   52.259   97.555   55.384  348.740   38.399  194.912   63.471 153.8277 74.18285 
1 1 1   29    3   10 o  228.830   34.050  166.636   27.101  194.313   29.791   33.817   65.262  309.209   24.689  148.452   63.467 160.7568 68.09965 
1 1 1   29    3   11 o  172.101   35.819   68.636   18.115   70.031   18.752   49.153   70.094  185.190   25.948  159.012   66.775 26.17822 71.63882 
1 1 1   29    3   12 o  228.159   37.749  137.975   24.241  143.098   25.778   98.811   71.272  265.139   24.914  191.179   71.269 73.95979 75.49803 
1 1 1   29    3   13 o  255.442   35.889  130.201   23.142  123.211   24.546  186.142   69.441  245.677   25.602  265.208   67.056 -19.53105 71.77766 
1 1 1   29    3   14 f   62.071   22.490  -2.3667   5.6160  -1.1134   5.6477 -112.9857   53.059   41.642   18.231   82.499   41.118 -40.85636 44.97904 
1 1 1   29    3   15 o  164.717   43.142   65.970   31.996   71.484   33.776   17.758   99.875  173.740   48.150  155.693   71.599 18.04671 86.28352 
1 1 1   29    3   16 o  155.536   47.407   32.842   31.132   26.267   32.434  109.839  110.998  120.214   47.243  190.858   82.207 -70.64388 94.81493 
1 1 1   29    4    0 o  371.705   30.509  262.301   33.141  244.747   35.994  360.069   84.944  347.127   26.571  396.284   54.928 -49.15726 61.01725 
1 1 1   29    4    1 o  116.138   36.266  -7.6657   13.164 -11.0360   13.438   72.563   65.562   55.359   25.739  176.918   67.811 -121.5585 72.53116 
1 1 1   29    4    2 o  107.340   31.560   16.717   16.398   21.729   17.042 -45.8469   60.209  104.115   35.245  110.564   52.364 -6.449356 63.12077 
1 1 1   29    4    3 o  132.103   36.784   14.867   15.496   10.438   16.042   76.678   59.928   85.448   33.327  178.758   65.586 -93.31032 73.56726 
1 1 1   29    4    4 o  187.548   37.340   60.884   19.237   54.529   20.242  120.180   61.830  159.217   33.633  215.880   66.678 -56.66322 74.68033 
1 1 1   29    4    5 o  288.499   47.251  282.065   36.843  292.999   37.813   77.152  163.696  379.938   25.503  197.060   90.997 182.8788 94.50288 
1 1 1   29    4    6 o  202.058   42.697  104.762   23.758  107.465   24.152   24.031  131.984  229.457   26.972  174.659   81.023 54.79787 85.39473 
1 1 1   29    4    7 o  151.865   33.844   58.497   23.657   71.313   25.885  -6.4910   58.289  180.164   38.012  123.566   56.007 56.59758 67.68815 
1 1 1   29    4    8 o  122.182   31.834   30.599   16.116   34.512   16.831 -12.5150   55.867  126.089   33.599  118.276   54.080 7.812889 63.66741 
1 1 1   29    4    9 o  348.307   38.647  301.254   47.198  379.961   62.746  198.690   71.627  420.987   38.193  275.628   67.199 145.3596 77.29472 
1 1 1   29    4   10 f  153.931   37.844   45.971   17.254   45.597   17.739   52.534   74.282  145.301   32.137  162.560   68.527 -17.25821 75.68839 
1 1 1   29    4   11 o  111.251   33.281   16.496   12.078   17.178   12.281  -3.5726   66.624   91.847   29.888  130.655   59.474 -38.80804 66.56163 
1 1 1   29    4   12 f  149.800   36.948   42.900   15.257   42.882   15.577   43.332   75.688  141.841   29.116  157.759   67.917 -15.91757 73.89525 
1 1 1   29    4   13 o  143.667   36.401   30.233   13.181   28.221   13.480   74.160   62.976  114.582   29.849  172.751   66.401 -58.16875 72.80165 
1 1 1   29    4   14 o  183.056   39.936   73.047   18.172   72.960   18.526   75.281   93.451  189.080   25.107  177.032   75.823 12.04742 79.87145 
1 1 1   29    4   15 o  128.811   34.663   32.981   14.337   35.253   14.499 -67.2565   96.305  127.935   29.625  129.686   62.677 -1.750626 69.32574 
1 1 1   29    4   16 o  228.662   57.713   35.500   30.611   17.847   31.210  482.110  156.987  111.005   45.388  346.319  106.128 -235.3141 115.4259 
1 1 1   29    5    0 o  227.998   40.114  119.697   25.092  118.994   26.516  125.720   77.619  241.259   28.164  214.738   75.123 26.52165 80.22895 
1 1 1   29    5    1 o  278.223   38.203  197.259   29.756  206.780   32.666  150.851   72.121  318.974   26.243  237.472   71.758 81.50244 76.40613 
1 1 1   29    5    2 o  253.647   37.855  181.678   29.299  199.650   32.252   96.796   70.091  313.315   26.378  193.980   70.966 119.3353 75.70950 
1 1 1   29    5    3 o  160.041   31.226   70.229   21.352   83.200   22.692 -29.9521   63.063  201.392   28.873  118.691   55.376 82.70107 62.45160 
1 1 1   29    5    4 o  280.145   30.445  126.269   24.114  109.094   25.728  250.379   69.162  230.635   28.586  329.655   53.762 -99.02023 60.88985 
1 1 1   29    5    5 f  142.679   44.080   23.778   17.029   23.198   17.205   51.693  119.399  106.351   35.412  179.007   80.735 -72.65611 88.15984 
1 1 1   29    5    6 o  208.896   50.186   71.541   21.392   68.019   21.676  203.210  132.526  178.509   32.306  239.283   95.030 -60.77408 100.3717 
1 1 1   29    5    7 o  226.917   39.904  125.615   25.023  126.514   26.408  117.713   78.314  248.604   27.220  205.230   75.023 43.37418 79.80883 
1 1 1   29    5    8 o  232.626   39.203  156.312   35.950  184.400   41.125   65.309   74.024  294.974   35.727  170.279   69.794 124.6950 78.40621 
1 1 1   29    5    9 o  135.940   38.244   32.408   26.034   30.462   29.148   40.080   57.888  123.544   45.671  148.336   61.357 -24.79135 76.48837 
1 1 1   29    5   10 o  180.648   38.142   39.673   15.989   32.857   16.462  153.273   67.204  122.957   33.428  238.339   68.570 -115.3828 76.28474 
1 1 1   29    5   11 o  121.738   32.631   29.434   14.842   32.585   15.171 -40.8134   71.625  122.769   31.508  120.707   57.152 2.062843 65.26175 
1 1 1   29    5   12 o  186.415   46.055   66.885   18.796   66.403   18.951   96.037  147.404  179.914   26.992  192.916   88.066 -13.00215 92.11001 
1 1 1   29    5   13 o  168.641   26.397   58.273   17.372   58.273   17.372   0.0000   0.0000  168.641   26.397  ?   ?       ?      ? 
1 1 1   29    5   14 o  145.777   37.693   40.314   14.760   40.845   14.956   20.462   91.498  138.324   28.650  153.230   69.730 -14.90608 75.38621 
1 1 1   29    5   15 o  219.403   42.841  132.564   23.902  134.487   24.359   82.783  123.945  256.780   24.309  182.025   82.162 74.75557 85.68259 
1 1 1   29    5   16 o  123.385   41.663   9.2598   10.999   8.7351   11.049   66.042  114.948   73.793   27.944  172.977   78.500 -99.18489 83.32540 
1 1 1   29    6    0 o  262.821   36.879  139.173   26.167  131.071   28.076  192.750   72.200  252.852   28.453  272.790   68.048 -19.93828 73.75732 
1 1 1   29    6    1 o  365.334   31.285  187.194   29.317  159.044   30.709  476.760   98.493  278.611   28.245  452.058   55.832 -173.4476 62.56953 
1 1 1   29    6    2 o  217.642   38.685  107.778   24.460  106.665   26.087  115.867   70.356  227.691   29.359  207.593   71.584 20.09825 77.37066 
1 1 1   29    6    3 o  256.448   36.523  118.324   24.766  106.525   26.326  209.152   73.044  227.355   29.672  285.541   66.748 -58.18559 73.04643 
1 1 1   29    6    4 o  249.842   38.455  187.522   30.151  207.003   32.771   80.092   76.956  318.639   26.354  181.045   72.253 137.5943 76.90980 
1 1 1   29    6    5 o  211.850   51.207   80.978   22.719   78.497   22.966  194.225  155.179  194.827   30.207  228.872   97.858 -34.04565 102.4138 
1 1 1   29    6    6 o  166.356   47.843   46.248   19.510   46.339   19.627   38.753  178.667  145.624   34.976  187.087   89.065 -41.46289 95.68697 
1 1 1   29    6    7 o  200.624   35.388  119.958   25.050  132.265   26.521   18.182   76.267  254.287   26.726  146.962   65.536 107.3255 70.77644 
1 1 1   29    6    8 o  214.522   50.664  117.663   35.354  118.281   36.116  103.504  173.005  230.426   41.699  198.619   92.350 31.80756 101.3278 
1 1 1   29    6    9 o  149.868   46.567   32.367   22.958   32.577   23.222   23.309  152.732  123.191   41.146  176.545   83.552 -53.35385 93.13357 
1 1 1   29    6   10 o  186.329   49.483   77.448   31.483   77.595   32.124   73.888  158.400  183.578   45.153  189.081   88.065 -5.502487 98.96601 
1 1 1   29    6   11 o  144.656   49.072   14.787   13.597   14.072   13.641  124.517  169.014   87.312   31.399  202.000   92.985 -114.6878 98.14366 
1 1 1   29    6   12 o  173.432   40.568   68.972   18.981   70.683   19.179 -12.6297  132.458  185.742   26.459  161.122   76.700 24.61928 81.13546 
1 1 1   29    6   13 o  211.033   45.931   87.403   20.065   85.033   20.370  164.792  116.396  203.927   25.596  218.139   88.223 -14.21198 91.86106 
1 1 1   29    6   14 o  187.333   25.699   71.891   18.787   71.891   18.787   0.0000   0.0000  187.333   25.699  ?   ?       ?      ? 
1 1 1   29    6   15 o  102.089   36.408   3.5003   9.5646   3.8662   9.5999 -45.9681  111.619   62.337   25.293  141.842   68.282 -79.50488 72.81609 
1 1 1   29    7    0 o  301.865   40.621  243.250   33.509  256.556   36.710  176.777   82.051  354.585   26.529  249.145   76.788 105.4403 81.24195 
1 1 1   29    7    1 o  229.720   39.778  135.167   27.533  139.125   29.494  108.331   76.792  259.960   29.073  199.479   74.053 60.48138 79.55600 
1 1 1   29    7    2 o  126.873   38.955   18.999   19.094   19.106   19.598   17.000   84.761  101.893   37.488  151.853   68.299 -49.96000 77.91031 
1 1 1   29    7    3 o  126.521   34.693   30.760   19.123   34.858   19.974 -14.2713   66.209  126.364   37.669  126.679   58.271 -0.3147049 69.38636 
1 1 1   29    7    4 o  144.441   39.184   26.474   17.962   21.893   18.634   86.564   67.486  105.061   36.805  183.821   69.188 -78.76061 78.36810 
1 1 1   29    7    5 o  141.605   40.166   25.736   17.802   22.898   18.303   75.412   76.572  106.330   36.520  176.880   71.550 -70.55005 80.33108 
1 1 1   29    7    6 o  172.259   51.449   41.937   19.620   40.779   19.734  141.488  182.959  136.089   36.435  208.429   96.231 -72.34018 102.8973 
1 1 1   29    7    7 o  291.252   56.516  216.215   33.049  212.698   33.554  330.594  191.345  322.369   26.672  260.135  109.839 62.23419 113.0313 
1 1 1   29    7    8 o  211.758   96.197  158.441  173.179   0.0000   0.0000  158.441  173.179  ?   ?   211.758   96.197      ?      ? 
1 1 1   29    7    9 o  277.626   50.373  240.720   34.575  243.663   35.165  155.085  189.693  345.284   26.097  209.968   97.308 135.3164 100.7465 
1 1 1   29    7   10 o  170.043   81.897 -15.8844  161.018   0.0000   0.0000 -15.8844  161.018  ?   ?   170.043   81.897      ?      ? 
1 1 1   29    7   11 o  192.109   40.124  101.908   22.420  105.801   22.686 -60.9828  146.733  227.627   25.539  156.590   76.076 71.03712 80.24841 
1 1 1   29    7   12 o  129.747   40.505   20.535   13.950   20.652   14.058   13.014  112.943   99.554   31.938  159.939   74.449 -60.38563 81.01062 
1 1 1   29    7   13 o  132.180   43.039   16.508   13.024   16.139   13.093   51.368  127.359   90.274   30.892  174.085   80.344 -83.81194 86.07850 
1 1 1   29    7   14 o  201.048   41.881  112.042   22.451  114.620   22.674 -16.8953  160.350  236.897   24.527  165.199   80.090 71.69870 83.76115 
1 1 1   29    8    0 f  253.191   40.384  182.693   38.149  213.846   44.345   93.992   74.827  317.678   35.770  188.705   72.416 128.9738 80.76894 
1 1 1   29    8    1 o  222.389   38.797  120.140   26.189  121.409   28.193  112.152   70.725  242.302   29.816  202.475   71.636 39.82648 77.59322 
1 1 1   29    8    2 o  249.350   37.151  204.831   32.853  237.491   35.910   37.125   81.373  340.582   27.019  158.117   69.215 182.4650 74.30131 
1 1 1   29    8    3 o  176.775   34.985   67.843   23.280   67.843   23.280   0.0000   0.0000  176.775   34.985  ?   ?       ?      ? 
1 1 1   29    8    4 o  175.800   51.449   48.211   21.327   47.136   21.466  130.274  187.590  145.880   37.501  205.720   95.822 -59.84003 102.8990 
1 1 1   29    8    5 o  181.206   48.096   64.337   21.915   64.367   22.083   62.439  177.823  172.450   34.023  189.962   89.974 -17.51291 96.19248 
1 1 1   29    8    6 o  222.908   49.244  120.780   26.841  120.612   27.162  127.778  175.203  241.793   28.786  204.023   94.187 37.77052 98.48761 
1 1 1   29    8    7 o  104.928   38.779  -3.5045   13.244  -2.4899   13.297 -130.9803  149.046   63.044   27.777  146.812   72.413 -83.76738 77.55798 
1 1 1   29    8    8 o  218.774   99.434  190.930  185.326   0.0000   0.0000  190.930  185.326  ?   ?   218.774   99.434      ?      ? 
1 1 1   29    8    9 o  228.164   47.910  139.487   27.988  140.680   28.334   91.583  179.580  261.505   27.765  194.822   91.709 66.68320 95.81960 
1 1 1   29    8   10 f  137.355   45.298   13.902   16.145   12.836   16.271   81.951  129.993   88.669   33.830  186.040   84.043 -97.37170 90.59626 
1 1 1   29    8   11 o  134.604   64.927 -64.1603  102.109   0.0000   0.0000 -64.1603  102.109  ?   ?   134.604   64.927      ?      ? 
1 1 1   29    8   12 o  109.523   39.720  -8.7250   16.650  -8.3631   16.796 -29.3084  126.656   65.426   29.813  153.621   73.635 -88.19444 79.44098 
1 1 1   29    8   13 o  131.934   42.288   22.399   14.731   23.008   14.794 -48.2742  159.351  104.068   32.694  159.801   78.001 -55.73245 84.57554 
1 1 1   29    9    0 o  164.569   49.302   42.426   24.345   41.326   24.641   87.336  157.460  136.146   42.101  192.992   89.163 -56.84654 98.60317 
1 1 1   29    9    1 o  173.295   54.989   30.723   19.815   28.501   19.923  233.880  190.507  115.905   38.084  230.684  103.173 -114.7789 109.9778 
1 1 1   29    9    2 o  118.317   44.691  -8.2031   15.514  -7.9839   15.568 -39.6974  186.599   63.106   28.735  173.528   84.636 -110.4215 89.38110 
1 1 1   29    9    3 o  196.185   45.698   94.725   26.312   97.018   26.581 -16.7955  185.339  215.674   31.582  176.697   85.765 38.97707 91.39516 
1 1 1   29    9    4 o  225.020   30.376  105.120   26.674  105.120   26.674   0.0000   0.0000  225.020   30.376  ?   ?       ?      ? 
1 1 1   29    9    5 o  193.606   45.170   89.425   24.140   91.073   24.382   7.4824  171.905  209.665   29.799  177.546   85.283 32.11847 90.33963 
1 1 1   29    9    6 o  149.348   45.140   34.407   18.957   34.898   19.097   1.1981  157.014  126.149   36.628  172.548   82.516 -46.39916 90.27977 
1 1 1   29    9    7 o  153.422   45.719   37.261   18.895   37.551   19.028   16.727  160.118  130.638   36.116  176.206   84.004 -45.56786 91.43838 
1 1 1   29    9    8 o  151.453   50.175   14.075   35.137   9.5228   36.110   95.187  152.418  110.095   47.142  192.811   88.587 -82.71611 100.3501 
1 1 1   29    9    9 o  246.232   45.471  187.240   32.082  192.501   32.821   74.406  151.995  305.892   27.495  186.572   86.686 119.3200 90.94205 
1 1 1   29    9   10 o  174.778   42.605   69.168   22.538   70.282   22.945   38.553  120.250  180.043   33.901  169.513   78.177 10.52988 85.21063 
1 1 1   29    9   11 o  242.499   46.824  186.467   40.999  194.866   42.401   65.766  160.738  301.659   36.019  183.339   86.443 118.3201 93.64720 
1 1 1   29    9   12 o  174.723   83.701   30.580  163.131   0.0000   0.0000   30.580  163.131  ?   ?   174.723   83.701      ?      ? 
1 1 1   29   10    0 o  135.633   48.614 -16.3417   34.671 -16.0806   35.188 -25.0261  202.957   92.444   42.507  178.823   87.444 -86.37884 97.22853 
1 1 1   29   10    1 o  211.251   49.400  114.922   33.907  117.044   34.381   39.579  204.885  233.618   37.712  188.883   91.319 44.73532 98.79974 
1 1 1   29   10    2 o  147.264   47.957   24.750   20.280   24.512   20.419   42.034  173.883  110.048   38.529  184.479   87.835 -74.43125 95.91405 
1 1 1   29   10    3 o  233.400   46.479  159.971   31.442  163.755   31.954   44.734  176.342  281.495   29.089  185.305   88.290 96.19067 92.95888 
1 1 1   29   10    4 o  222.708   51.653  102.936   27.218   99.825   27.627  205.737  158.824  218.280   32.433  227.135   98.082 -8.855667 103.3054 
1 1 1   29   10    5 o  278.565   29.460  160.669   32.025  160.669   32.025   0.0000   0.0000  278.565   29.460  ?   ?       ?      ? 
1 1 1   29   10    6 o  153.648   36.374   52.124   21.472   52.124   21.472   0.0000   0.0000  153.648   36.374  ?   ?       ?      ? 
1 1 1   29   10    7 o  294.426   54.020  250.607   36.964  249.658   37.755  272.577  181.633  348.184   27.786  240.669  104.406 107.5145 108.0401 
1 1 1   29   10    8 o  141.757   45.963   12.306   38.176   8.3177   40.492   44.214  114.525  113.562   49.280  169.951   77.599 -56.38890 91.92512 
1 1 1   29   10    9 o  140.490   38.759   40.093   19.781   43.235   20.079 -63.5307  115.316  139.561   36.465  141.420   68.405 -1.859528 77.51777 
1 1 1   29   10   10 o  191.477   41.816   98.293   26.150  102.166   26.604 -12.1195  142.057  220.969   30.853  161.986   77.734 58.98265 83.63284 
1 1 1   29   10   11 o   88.227   34.291   12.133   16.938   12.133   16.938   0.0000   0.0000   88.227   34.291  ?   ?       ?      ? 
1 1 1   29   11    0 o  140.050   48.008   14.187   18.944   13.753   19.051   52.407  178.807   93.637   36.375  186.462   88.859 -92.82511 96.01609 
1 1 1   29   11    1 o  178.396   54.993   59.038   44.372   54.335   45.840  128.973  176.767  154.102   57.213  202.690   93.935 -48.58789 109.9866 
1 1 1   29   11    2 o  232.452   45.115  173.750   40.419  185.492   41.535 -36.0240  175.550  294.988   36.080  169.916   82.702 125.0722 90.23018 
1 1 1   29   11    3 o  217.604   39.890  156.307   32.250  168.691   32.940 -130.0186  158.393  285.259   29.591  149.950   74.089 135.3096 79.77989 
1 1 1   29   11    4 o  162.268   44.090   52.589   22.957   53.327   23.338   30.520  127.648  154.367   38.789  170.170   79.190 -15.80313 88.17944 
1 1 1   29   11    5 o  206.381   44.183  111.881   28.466  114.404   29.149   59.917  132.288  233.651   31.969  179.111   82.381 54.53934 88.36620 
1 1 1   29   11    6 o  192.908   43.081   91.033   25.381   92.586   25.947   56.625  122.162  210.272   31.621  175.543   80.150 34.72858 86.16183 
1 1 1   29   11    7 o  189.739   39.686   80.594   28.441   80.594   28.441   0.0000   0.0000  189.739   39.686  ?   ?       ?      ? 
1 1 1   29   11    8 o  170.137   52.303   48.551   46.490   35.782   49.833  134.258  129.105  139.442   57.222  200.832   87.566 -61.38989 104.6052 
1 1 1   29   11    9 o  274.618   46.769  259.944   38.966  269.008   40.028   95.920  170.283  360.154   28.480  189.082   89.097 171.0722 93.53809 
1 1 1   29   11   10 o  216.145   31.421   98.344   26.504   98.344   26.504   0.0000   0.0000  216.145   31.421  ?   ?       ?      ? 
1 1 1   29   12    0 o  130.131   40.987   23.886   19.735   26.175   19.932 -90.1429  140.689  111.977   38.116  148.286   72.574 -36.30879 81.97440 
1 1 1   29   12    1 o  235.776   48.261  153.204   31.474  154.289   32.071  124.824  163.978  272.265   30.185  199.287   91.682 72.97821 96.52295 
1 1 1   29   12    2 o  164.011   47.918   61.456   45.515   74.027   48.196 -42.1683  138.375  172.041   59.252  155.980   75.324 16.06154 95.83563 
1 1 1   29   12    3 o  178.856   50.604   54.090   27.109   49.835   27.657  158.144  136.770  147.300   44.421  210.412   90.939 -63.11185 101.2083 
1 1 1   29   12    4 o  141.639   41.444   34.712   20.979   35.820   21.364   4.7370  111.105  127.195   39.179  156.082   73.045 -28.88759 82.88883 
1 1 1   29   12    5 o  221.646   44.076  136.319   30.495  139.446   31.538   91.360  119.596  257.956   31.329  185.337   82.397 72.61877 88.15186 
1 1 1   29   12    6 o  120.148   38.297   15.392   20.306   17.158   20.780 -21.9562   95.554   99.716   38.187  140.580   66.395 -40.86388 76.59305 
1 1 1   29   12    7 o  219.995   46.466  133.791   35.252  135.927   36.604  106.454  130.949  250.602   37.429  189.388   85.061 61.21416 92.93202 
1 1 1   29   12    8 o  124.996   43.758 -46.5961   45.035 -51.9912   47.983  -6.6886  130.500   92.390   44.550  157.603   75.329 -65.21327 87.51674 
1 1 1   29   13    0 o  109.570   35.914   10.601   17.979   14.327   18.216 -129.8837  111.862   92.993   35.720  126.148   62.316 -33.15498 71.82787 
1 1 1   29   13    1 o  227.699   45.576  151.217   32.725  154.867   33.558   80.471  147.756  271.446   31.680  183.952   85.469 87.49464 91.15101 
1 1 1   29   13    2 o  149.428   40.820   47.918   22.356   51.161   22.680 -63.0093  132.643  150.782   38.431  148.075   72.030 2.707108 81.64083 
1 1 1   29   13    3 o  146.335   40.014   47.646   24.096   52.898   24.504 -106.2460  132.648  152.395   40.508  140.275   69.019 12.12006 80.02831 
1 1 1   29   13    4 o  223.885   96.462  218.567  152.926   0.0000   0.0000  218.567  152.926  ?   ?   223.885   96.462      ?      ? 
1 1 1   29   13    5 o  307.413   52.116  305.686   44.032  309.727   45.695  253.193  164.690  384.430   30.459  230.397   99.683 154.0326 104.2330 
1 1 1   30    0    0 o   42.927   19.838  -0.9983   11.569  -0.9983   11.569  -0.9983   11.569   42.927   28.056   42.927   28.056 0.000000 0.000000 
1 1 1   30    0    1 o  156.138   27.126   57.066   20.242   57.066   20.242   57.066   20.242  156.138   38.362  156.138   38.362 0.000000 0.000000 
1 1 1   30    0    2 f   84.232   28.558   21.308   15.299   21.308   15.299   21.308   15.299   84.232   40.387   84.232   40.387 0.000000 0.000000 
1 1 1   30    0    3 o  307.439   20.221  193.942   33.627  193.942   33.627  193.942   33.627  307.439   28.597  307.439   28.597 0.000000 0.000000 
1 1 1   30    0    4 o  106.647   30.530   32.194   17.577   32.194   17.577   32.194   17.577  106.647   43.175  106.647   43.175 0.000000 0.000000 
1 1 1   30    0    5 o   34.316   16.403  -4.1333   9.1142  -4.1333   9.1142  -4.1333   9.1142   34.316   23.197   34.316   23.197 -0.000000 0.000000 
1 1 1   30    0    6 o  262.704   25.674  147.579   35.195  147.579   35.195  147.579   35.195  262.704   36.308  262.704   36.308 -0.000000 0.000000 
1 1 1   30    0    7 o  157.906   25.092   57.011   19.085   57.011   19.085   57.011   19.085  157.906   35.486  157.906   35.486 0.000000 0.000000 
1 1 1   30    0    8 o  331.338   19.737  224.330   35.502  224.330   35.502  224.330   35.502  331.338   27.913  331.338   27.913 -0.000000 0.000000 
1 1 1   30    0    9 o  170.674   22.820   64.227   19.254   64.227   19.254   64.227   19.254  170.674   32.272  170.674   32.272 0.000000 0.000000 
1 1 1   30    0   10 o  236.135   48.016  145.810   54.265  145.810   54.265  145.810   54.265  236.135   67.906  236.135   67.906 -0.000000 0.000000 
1 1 1   30    0   11 o  224.169   45.515  130.287   48.825  130.287   48.825  130.287   48.825  224.169   64.368  224.169   64.368 0.000000 0.000000 
1 1 1   30    0   13 o  107.576   44.953   35.091   45.871   35.091   45.871   35.091   45.871  107.576   63.573  107.576   63.573 0.000000 0.000000 
1 1 1   30    0   14 o  211.503   51.867  128.700   54.632  128.700   54.632  128.700   54.632  211.503   73.351  211.503   73.351 0.000000 0.000000 
1 1 1   30    1    0 o  116.363   33.460   16.072   14.583   14.287   15.217   36.162   51.058   89.826   33.035  142.901   58.198 -53.07449 66.92022 
1 1 1   30    1    1 o  125.401   25.222   34.085   13.251   24.719   18.795   43.341   18.686  109.678   37.014  141.125   34.271 -31.44703 50.44352 
1 1 1   30    1    2 o  119.421   22.478   28.985   11.653   48.922   17.202   12.076   15.842  151.603   30.137   87.238   33.358 64.36450 44.95523 
1 1 1   30    1    3 o  188.336   22.941   74.886   16.518   72.549   23.238   77.273   23.485  183.771   33.643  192.901   31.198 -9.129272 45.88212 
1 1 1   30    1    4 o  100.685   22.439   20.472   10.542   9.4088   15.342   30.369   14.511   82.542   32.475  118.828   30.976 -36.28603 44.87879 
1 1 1   30    1    5 o  240.395   20.171  118.965   18.919  120.300   26.589  117.596   26.926  241.919   28.164  238.871   28.885 3.048401 40.34296 
1 1 1   30    1    6 o  228.471   24.021  109.716   21.397  116.243   30.833  103.652   29.719  235.201   33.592  221.740   34.344 13.46053 48.04137 
1 1 1   30    1    7 o  142.311   23.475   44.066   12.815   40.424   18.212   47.638   18.036  136.002   34.316  148.619   32.041 -12.61732 46.94913 
1 1 1   30    1    8 o  154.708   39.281   46.795   34.022   92.799   48.176   1.0230   48.054  192.305   58.768  117.111   52.138 75.19321 78.56215 
1 1 1   30    1    9 o  137.281   31.713   43.341   17.837   47.403   19.500   22.522   44.150  147.231   34.536  127.331   53.200 19.89998 63.42699 
1 1 1   30    1   10 f  170.020   41.051   71.053   32.800   76.200   43.562   64.314   49.844  176.150   56.191  163.890   59.861 12.26010 82.10226 
1 1 1   30    1   11 o  387.777   35.437  344.330   52.876  336.148   69.185  355.822   81.994  387.122   45.796  388.432   54.092 -1.309692 70.87482 
1 1 1   30    1   12 o  334.116   50.262  257.906   65.535   0.0000   0.0000  257.906   65.535  ?   ?   334.116   50.262      ?      ? 
1 1 1   30    1   13 o  208.838   42.051  109.239   35.210   98.394   44.865  126.629   56.813  198.606   55.656  219.070   63.053 -20.46361 84.10262 
1 1 1   30    1   14 o  135.824   35.650   16.208   33.931   83.850   43.906 -84.1006   53.467  182.335   56.167   89.313   43.920 93.02215 71.29996 
1 1 1   30    2    0 o  129.641   35.360   27.123   17.308   25.676   18.212   40.617   55.621  110.879   36.411  148.404   60.625 -37.52547 70.71935 
1 1 1   30    2    1 o  587.198   21.004  711.824   48.126  722.515   67.990  701.088   68.130  591.908   29.435  582.488   29.972 9.420532 42.00869 
1 1 1   30    2    2 o  275.385   20.726  156.472   22.253  162.577   31.324  150.251   31.621  281.193   28.545  269.577   30.058 11.61621 41.45242 
1 1 1   30    2    3 o  251.871   19.487  130.057   19.144  134.932   27.115  125.212   27.033  256.796   27.058  246.945   28.052 9.850418 38.97457 
1 1 1   30    2    4 o   96.705   21.225   15.747   9.6680   33.190   15.196   3.8837   12.532  124.071   31.367   69.339   28.603 54.73155 42.45031 
1 1 1   30    2    5 o  211.849   22.552   93.690   18.465   94.324   24.571   92.866   27.987  213.673   29.468  210.025   34.147 3.647995 45.10378 
1 1 1   30    2    6 o  140.154   38.387   41.250   21.013   46.312   21.296 -145.3024  129.277  144.615   37.441  135.694   67.025 8.920181 76.77358 
1 1 1   30    2    7 o  191.922   35.995   45.479   19.409   31.121   20.463  174.294   61.292  120.183   38.530  263.660   60.810 -143.4778 71.98940 
1 1 1   30    2    8 o  166.537   34.512   55.008   34.553  128.341   44.105 -61.5218   55.597  234.097   49.809   98.977   47.784 135.1198 69.02393 
1 1 1   30    2    9 o  169.260   32.215   24.417   13.260   16.068   13.696  149.546   53.019   90.934   31.570  247.587   56.165 -156.6534 64.42963 
1 1 1   30    2   10 o  222.260   38.113  131.823   37.493  183.574   47.966   50.543   60.113  288.853   42.552  155.667   63.244 133.1860 76.22692 
1 1 1   30    2   11 o  151.814   34.602   52.633   17.581   54.618   18.284   28.318   63.991  159.890   30.416  143.737   62.163 16.15289 69.20496 
1 1 1   30    2   12 o  213.059   35.896  110.823   21.966  112.552   23.499   98.847   61.828  234.583   25.670  191.535   67.045 43.04793 71.79147 
1 1 1   30    2   13 o  251.957   38.717  174.180   41.418  254.114   54.366   63.619   63.939  340.001   40.975  163.913   65.704 176.0883 77.43392 
1 1 1   30    2   14 o  153.850   38.649   56.610   30.648   74.128   39.829   31.180   47.986  173.169   53.521  134.530   55.772 38.63824 77.29861 
1 1 1   30    3    0 o  183.973   39.486   75.352   23.237   74.240   24.569   84.782   71.569  185.121   35.297  182.824   70.646 2.297379 78.97274 
1 1 1   30    3    1 f  107.023   23.727   24.190   11.748   11.577   18.135   33.310   15.421   89.787   35.313  124.260   31.700 -34.47287 47.45398 
1 1 1   30    3    2 o  122.871   24.587   32.688   13.305   15.835   19.397   47.664   18.285   97.091   36.963  148.652   32.433 -51.56097 49.17459 
1 1 1   30    3    3 o  307.705   34.554  179.969   28.429  165.875   30.475  274.501   78.927  284.462   27.453  330.948   63.421 -46.48611 69.10786 
1 1 1   30    3    4 o  144.241   36.631   35.228   17.457   32.222   18.307   65.386   57.984  121.766   36.009  166.715   63.802 -44.94868 73.26188 
1 1 1   30    3    5 o  256.385   46.385  192.288   31.235  196.187   32.117  124.220  134.185  309.716   26.573  203.055   88.883 106.6613 92.77060 
1 1 1   30    3    6 o  108.515   36.624   5.7425   15.072   7.0291   15.248 -49.0245   99.482   78.992   31.937  138.038   65.920 -59.04600 73.24878 
1 1 1   30    3    7 o  116.309   34.994   8.3115   15.006   5.1868   15.544   51.112   57.528   77.099   31.835  155.519   62.329 -78.41975 69.98831 
1 1 1   30    3    8 o  134.452   38.031   31.515   31.748   49.834   39.079  -4.0479   54.448  148.512   53.174  120.392   54.389 28.12000 76.06297 
1 1 1   30    3    9 f  152.679   36.254   44.023   17.711   41.531   18.617   67.779   57.480  137.657   34.674  167.702   63.680 -30.04500 72.50822 
1 1 1   30    3   10 o  235.732   42.903  143.364   38.232  147.466   45.897  134.066   69.102  252.232   48.389  219.232   70.860 32.99986 85.80561 
1 1 1   30    3   11 o  277.461   36.846  190.952   28.010  196.249   30.644  164.051   69.060  310.052   25.327  244.870   69.203 65.18182 73.69204 
1 1 1   30    3   12 o  123.061   31.213   32.689   14.733   36.228   15.181 -24.6818   61.125  129.501   30.536  116.621   54.447 12.87962 62.42550 
1 1 1   30    3   13 o   83.424   25.209   8.7526   10.124   12.410   10.377 -63.4713   46.113   80.098   27.499   86.751   42.259 -6.652824 50.41875 
1 1 1   30    3   14 o  117.805   30.898   25.367   13.290   25.530   13.916   23.675   44.818  108.696   31.184  126.914   53.350 -18.21856 61.79530 
1 1 1   30    4    0 o  266.087   20.714  146.531   21.437  155.809   29.874  136.683   30.779  275.525   27.784  256.650   30.731 18.87497 41.42892 
1 1 1   30    4    1 f  168.338   37.869   67.229   22.811   69.805   24.082   44.728   71.161  179.076   35.713  157.600   66.789 21.47537 75.73705 
1 1 1   30    4    2 o  248.331   35.669  132.111   25.699  126.608   28.057  160.781   64.044  247.781   29.016  248.881   65.171 -1.099686 71.33830 
1 1 1   30    4    3 o  559.629   27.368  650.420   52.838  624.448   61.434  724.242  103.574  550.635   28.590  568.622   46.676 -17.98651 54.73612 
1 1 1   30    4    4 f  124.057   34.538   24.233   16.983   23.244   17.901   33.137   53.731  106.560   36.122  141.554   58.878 -34.99374 69.07522 
1 1 1   30    4    5 o  108.496   34.502   13.847   15.592   17.379   15.768 -141.5968  104.593   95.276   33.812  121.716   60.152 -26.44012 69.00356 
1 1 1   30    4    6 o  201.253   41.082  117.845   32.529  128.380   33.720 -23.3723  123.455  246.236   35.092  156.271   74.292 89.96402 82.16317 
1 1 1   30    4    7 o  184.704   37.226   74.174   21.237   72.700   22.498   86.222   64.317  186.944   30.840  182.465   67.765 4.478806 74.45245 
1 1 1   30    4    8 o  372.473   34.260  313.776   45.911  312.748   55.605  315.978   81.376  382.231   37.279  362.715   57.491 19.51663 68.51955 
1 1 1   30    4    9 o  194.695   33.844  114.321   24.593  129.140   26.276   9.6524   69.831  250.979   26.828  138.411   62.144 112.5680 67.68800 
1 1 1   30    4   10 o  130.740   38.456   27.804   29.153   34.077   32.357   0.7573   67.188  129.051   48.038  132.429   60.066 -3.378204 76.91293 
1 1 1   30    4   11 o  163.473   31.261   74.572   19.200   83.214   20.221  -4.5508   61.185  201.718   25.688  125.228   57.000 76.48985 62.52138 
1 1 1   30    4   12 o   95.139   28.693   11.537   10.799   12.965   11.074 -16.2338   48.824   82.077   28.394  108.202   49.870 -26.12524 57.38697 
1 1 1   30    4   13 o   72.616   27.853   8.0112   11.066   8.0112   11.066   0.0000   0.0000   72.616   27.853  ?   ?       ?      ? 
1 1 1   30    5    0 o  266.379   38.929  196.833   41.224  272.079   52.610   77.138   66.354  356.436   37.823  176.322   68.054 180.1138 77.85828 
1 1 1   30    5    1 o  290.895   38.680  201.510   31.115  202.424   33.998  196.799   77.198  313.945   27.751  267.844   72.212 46.10089 77.36067 
1 1 1   30    5    2 o  115.656   35.475   14.180   18.214   14.452   18.960   10.924   65.606   94.582   36.413  136.731   60.893 -42.14854 70.94965 
1 1 1   30    5    3 f  413.754   29.556  381.685   39.996  390.610   46.152  354.764   80.156  436.558   27.090  390.949   52.539 45.60934 59.11224 
1 1 1   30    5    4 o  287.702   34.124  176.599   27.670  170.389   30.266  208.211   68.290  288.408   26.892  286.997   62.726 1.410736 68.24754 
1 1 1   30    5    5 o  261.944   38.415  161.621   27.668  161.097   29.906  164.737   72.901  280.172   27.352  243.716   71.796 36.45651 76.82990 
1 1 1   30    5    6 o  139.186   45.092   15.325   21.580   13.578   21.934   68.157  120.627   97.179   38.640  181.193   81.488 -84.01452 90.18476 
1 1 1   30    5    7 o  238.400   41.120  100.662   23.694   91.629   24.702  204.620   83.796  210.148   30.121  266.651   76.526 -56.50272 82.24076 
1 1 1   30    5    8 o  109.174   33.113   16.666   16.690   20.969   17.105 -68.7285   76.202  102.206   35.293  116.141   56.038 -13.93530 66.22629 
1 1 1   30    5    9 o   90.963   30.882  -4.1711   14.358  -2.5617   14.744 -33.7249   63.182   66.348   29.240  115.578   54.403 -49.22981 61.76355 
1 1 1   30    5   10 o  145.331   38.153   48.011   29.844   61.948   33.917   0.2133   62.811  161.919   49.272  128.743   58.265 33.17564 76.30622 
1 1 1   30    5   11 f  178.216   31.779   93.621   20.692  104.651   21.932   4.2516   62.428  226.486   24.814  129.945   58.514 96.54108 63.55809 
1 1 1   30    5   12 o  153.362   40.436   44.000   16.209   44.217   16.392   34.444  108.790  143.299   30.261  163.426   74.996 -20.12703 80.87135 
1 1 1   30    5   13 o  179.411   40.989   67.984   18.911   67.399   19.263   83.581   99.461  180.601   27.331  178.221   77.287 2.379288 81.97772 
1 1 1   30    6    0 o  155.032   38.516   57.986   30.206   72.265   34.655   12.829   61.627  175.290   48.841  134.774   59.569 40.51572 77.03210 
1 1 1   30    6    1 o  191.808   36.563   94.545   24.605  100.240   26.553   59.954   65.441  219.497   30.999  164.118   66.230 55.37865 73.12539 
1 1 1   30    6    2 o  145.097   41.070   24.855   19.764   20.015   20.464   92.028   76.237  103.734   38.284  186.459   72.672 -82.72517 82.13965 
1 1 1   30    6    3 o  131.700   37.209   28.269   19.192   27.825   20.039   33.187   66.725  114.863   38.216  148.537   63.856 -33.67361 74.41840 
1 1 1   30    6    4 o  154.459   40.617   29.992   19.244   23.577   19.990  111.186   71.117  108.389   38.112  200.530   71.739 -92.14137 81.23470 
1 1 1   30    6    5 o  125.702   36.877   24.656   18.419   26.012   18.979   2.6971   76.402  111.493   37.197  139.911   63.688 -28.41819 73.75491 
1 1 1   30    6    6 o  119.523   42.732   5.0246   16.274   6.1001   16.338 -131.4944  184.073   79.684   32.740  159.362   78.944 -79.67815 85.46346 
1 1 1   30    6    7 o  132.831   46.159   7.5938   24.535   8.7085   24.752 -55.2925  185.913   95.644   39.887  170.018   83.256 -74.37334 92.31728 
1 1 1   30    6    8 o  126.116   38.611   12.443   16.365   9.9557   16.772   61.765   74.694   85.363   33.837  166.870   69.414 -81.50673 77.22222 
1 1 1   30    6    9 o  137.780   35.597   41.876   19.276   41.876   19.276   0.0000   0.0000  137.780   35.597  ?   ?       ?      ? 
1 1 1   30    6   10 o  163.665   40.711   67.189   26.685   73.363   27.298 -65.5898  126.595  180.840   39.764  146.489   71.052 34.35133 81.42221 
1 1 1   30    6   11 o  160.500   40.590   65.717   29.036   74.407   29.875 -82.5869  123.413  179.980   43.104  141.020   68.792 38.96057 81.18044 
1 1 1   30    6   12 o  112.351   38.222   7.9726   11.399   8.0660   11.465  -0.0632  106.332   73.410   28.301  151.291   71.011 -77.88155 76.44302 
1 1 1   30    7    0 o  222.594   41.247  136.090   36.325  151.255   41.273   83.967   76.516  264.079   40.049  181.110   72.120 82.96933 82.49358 
1 1 1   30    7    1 o  203.774   36.340  122.315   27.550  136.513   29.551   28.020   76.155  256.854   29.482  150.695   66.432 106.1586 72.67986 
1 1 1   30    7    2 o  130.773   31.993   40.470   20.877   52.395   21.901 -78.1809   69.082  153.956   36.928  107.589   52.254 46.36669 63.98561 
1 1 1   30    7    3 o  196.513   34.925  120.206   27.004  136.166   28.440 -25.9670   86.069  257.066   28.350  135.960   63.839 121.1056 69.85065 
1 1 1   30    7    4 o  241.309   50.041  159.173   30.268  159.911   30.631  128.607  197.123  278.647   28.169  203.971   96.036 74.67624 100.0824 
1 1 1   30    7    5 o  170.058   38.622   68.578   22.386   70.709   23.322   43.607   79.825  180.661   34.335  159.456   69.194 21.20537 77.24464 
1 1 1   30    7    6 o  124.235   42.729   11.495   17.197   12.650   17.285 -100.5527  170.255   89.811   34.714  158.658   78.089 -68.84738 85.45740 
1 1 1   30    7    7 o  267.201   52.894  214.053   45.871  215.538   47.472  193.130  178.146  316.046   38.491  218.357   98.537 97.68860 105.7879 
1 1 1   30    7    8 o  183.761   41.308   86.396   24.154   89.954   24.509 -33.7289  142.408  207.946   30.203  159.576   76.897 48.36964 82.61571 
1 1 1   30    7    9 o   99.067   36.229   18.431   18.265   18.431   18.265   0.0000   0.0000   99.067   36.229  ?   ?       ?      ? 
1 1 1   30    7   10 o  171.962   38.145   77.116   21.928   81.557   22.270 -64.2822  125.667  198.335   28.773  145.590   70.656 52.74565 76.29004 
1 1 1   30    7   11 o  145.645   69.186 -21.9354  106.660   0.0000   0.0000 -21.9354  106.660  ?   ?   145.645   69.186      ?      ? 
1 1 1   30    8    0 o  226.008   37.544  155.201   29.490  172.296   31.826   51.396   78.426  289.193   28.201  162.823   69.591 126.3701 75.08820 
1 1 1   30    8    1 f  154.472   41.056   50.753   28.828   49.529   31.896   56.215   67.368  147.086   48.181  161.858   66.490 -14.77260 82.11118 
1 1 1   30    8    2 o  131.357   36.743   32.429   21.237   35.488   22.261   1.4524   70.846  127.145   40.127  135.570   61.564 -8.424789 73.48661 
1 1 1   30    8    3 o  154.966   46.370   39.581   21.343   40.118   21.522   7.5502  166.232  134.356   38.848  175.575   84.211 -41.21863 92.73951 
1 1 1   30    8    4 o  214.217   30.818   95.574   25.762   95.574   25.762   0.0000   0.0000  214.217   30.818  ?   ?       ?      ? 
1 1 1   30    8    5 o  216.314   52.140   93.907   25.200   91.491   25.463  208.963  175.704  209.397   31.161  223.232   99.516 -13.83444 104.2806 
1 1 1   30    8    6 o  159.675   45.370   44.814   20.527   44.798   20.746   45.545  141.833  142.034   37.043  177.316   82.835 -35.28236 90.74089 
1 1 1   30    8    7 o  188.493   43.821   82.480   23.907   83.424   24.302   54.130  133.181  199.796   31.169  177.189   81.911 22.60750 87.64102 
1 1 1   30    8    8 f  168.728   43.382   60.184   22.162   60.691   22.534   45.199  122.517  165.992   35.836  171.465   79.018 -5.472900 86.76445 
1 1 1   30    8    9 o  206.273   44.813  107.763   26.099  108.688   26.577   82.729  138.329  228.421   29.815  184.124   84.521 44.29666 89.62596 
1 1 1   30    8   10 o  230.853   44.275  156.712   28.948  160.008   29.606   85.040  138.058  278.402   27.251  183.303   84.253 95.09932 88.55046 
1 1 1   30    9    0 o  150.232   48.863   25.512   34.025   25.119   34.830   33.730  159.179  121.761   48.604  178.703   84.782 -56.94221 97.72572 
1 1 1   30    9    1 o  125.806   43.759   5.5101   21.767   6.7153   21.963 -61.2867  163.505   89.539   37.476  162.073   79.088 -72.53424 87.51785 
1 1 1   30    9    2 o  205.113   43.873  117.365   29.248  121.918   29.695 -30.1310  169.022  241.509   31.508  168.717   81.894 72.79156 87.74659 
1 1 1   30    9    3 o  206.628   51.697   82.122   26.479   78.324   26.902  199.930  149.833  188.231   37.935  225.025   96.184 -36.79378 103.3940 
1 1 1   30    9    4 o  111.641   38.729   1.9945   17.255   3.2863   17.438 -58.6025  119.432   78.240   33.104  145.043   70.027 -66.80307 77.45709 
1 1 1   30    9    5 o  233.968   30.218  113.965   27.590  113.965   27.590   0.0000   0.0000  233.968   30.218  ?   ?       ?      ? 
1 1 1   30    9    6 o  293.266   29.031  178.316   33.224  178.316   33.224   0.0000   0.0000  293.266   29.031  ?   ?       ?      ? 
1 1 1   30    9    7 o  144.133   40.293   41.058   20.870   43.358   21.225 -25.8642  114.478  139.187   38.007  149.080   71.060 -9.893494 80.58590 
1 1 1   30    9    8 f  124.021   37.069   26.220   18.867   30.083   19.134 -109.3410  113.347  117.559   37.213  130.484   64.122 -12.92432 74.13813 
1 1 1   30    9    9 o  242.551   54.419   49.104   22.540   38.964   22.812  466.441  146.347  131.585   40.477  353.517  101.032 -221.9321 108.8386 
1 1 1   30   10    0 o  118.757   41.522   5.5104   18.340   6.9267   18.465 -98.2449  158.036   84.139   34.715  153.375   75.439 -69.23569 83.04356 
1 1 1   30   10    1 o  145.533   49.586  -3.8704   36.216 -10.3871   37.291  104.287  151.921   98.083   44.589  192.983   88.584 -94.90000 99.17280 
1 1 1   30   10    2 o  251.339   49.054  196.522   43.869  203.059   45.609  115.728  160.341  306.525   38.129  196.152   90.395 110.3730 98.10775 
1 1 1   30   10    3 o  247.439   49.875  158.151   33.005  156.133   33.914  194.301  143.546  272.753   31.862  222.125   94.524 50.62767 99.74921 
1 1 1   30   10    4 o  218.289   44.850  131.368   31.822  134.394   32.870   86.136  127.086  252.082   33.413  184.496   83.244 67.58574 89.69973 
1 1 1   30   10    5 o  218.465   43.660  133.588   30.074  137.105   31.038   79.564  121.644  255.842   31.088  181.088   81.599 74.75351 87.32021 
1 1 1   30   10    6 o  277.229   37.440  166.200   40.505  166.200   40.505   0.0000   0.0000  277.229   37.440  ?   ?       ?      ? 
1 1 1   30   10    7 o  329.015   48.889  250.993   62.770  250.993   62.770   0.0000   0.0000  329.015   48.889  ?   ?       ?      ? 
1 1 1   30   11    0 f  187.548   42.403   92.486   26.691   96.327   27.099 -32.3782  154.513  213.695   32.495  161.401   78.334 52.29309 84.80620 
1 1 1   30   11    1 o  214.375   45.895  125.701   30.096  127.849   30.636   66.443  160.929  246.540   31.843  182.209   86.089 64.33089 91.78910 
1 1 1   30   11    2 o  237.239   51.882  182.727   53.247  191.888   56.648  113.247  156.010  281.795   53.469  192.683   88.926 89.11230 103.7633 
1 1 1   30   11    3 o  204.482   42.632  124.345   36.005  134.711   37.537   5.0985  127.311  248.666   38.682  160.299   75.984 88.36668 85.26366 
1 1 1   30   11    4 o  137.220   40.498   33.702   23.823   36.099   24.506  -7.5205  101.638  127.545   42.254  146.895   69.101 -19.35004 80.99588 
1 1 1   30   11    5 o  265.797   52.300  167.662   35.239  159.648   36.422  285.069  139.404  273.606   34.112  257.989   98.881 15.61768 104.5997 
1 1 1   31    0    0 o   62.074   31.231 -56.0212   46.399 -56.0212   46.399 -56.0212   46.399   62.074   44.167   62.074   44.167 -0.000000 0.000000 
1 1 1   31    0    1 o  102.725   44.877   25.875   50.102   25.875   50.102   25.875   50.102  102.725   63.466  102.725   63.466 -0.000000 0.000000 
1 1 1   31    0    2 o  201.750   24.199   88.660   24.616   88.660   24.616   88.660   24.616  201.750   34.223  201.750   34.223 -0.000000 0.000000 
1 1 1   31    0    3 o  186.141   26.109   77.600   23.830   77.600   23.830   77.600   23.830  186.141   36.924  186.141   36.924 0.000000 0.000000 
1 1 1   31    0    4 o  165.777   31.417   66.689   24.839   66.689   24.839   66.689   24.839  165.777   44.431  165.777   44.431 0.000000 0.000000 
1 1 1   31    0    5 o  186.912   26.018   78.146   23.876   78.146   23.876   78.146   23.876  186.912   36.796  186.912   36.796 -0.000000 0.000000 
1 1 1   31    0    6 o  202.150   24.509   89.256   24.930   89.256   24.930   89.256   24.930  202.150   34.661  202.150   34.661 0.000000 0.000000 
1 1 1   31    0    8 o  132.708   29.421   44.794   18.913   44.794   18.913   44.794   18.913  132.708   41.607  132.708   41.607 0.000000 0.000000 
1 1 1   31    0    9 o  297.053   46.749  216.911   66.967  216.911   66.967  216.911   66.967  297.053   66.113  297.053   66.113 -0.000000 0.000000 
1 1 1   31    0   10 o  209.537   51.915  126.581   54.390  126.581   54.390  126.581   54.390  209.537   73.419  209.537   73.419 -0.000000 0.000000 
1 1 1   31    0   11 o  126.425   51.248   55.434   56.737   55.434   56.737   55.434   56.737  126.425   72.475  126.425   72.475 -0.000000 0.000000 
1 1 1   31    1    0 o  199.637   33.195   69.104   19.472  136.948   51.877   57.979   21.008  235.890   56.992  163.384   34.053 72.50580 66.39035 
1 1 1   31    1    1 o  196.220   36.294   69.347   21.125   59.267   22.701  134.487   57.706  164.169   36.389  228.271   62.808 -64.10173 72.58795 
1 1 1   31    1    2 o  394.799   20.329  321.897   31.288  334.691   43.995  308.803   44.506  403.331   27.952  386.266   29.526 17.06522 40.65804 
1 1 1   31    1    3 o  135.605   24.574   40.568   13.196   33.229   19.039   47.352   18.307  123.332   36.780  147.879   32.600 -24.54698 49.14820 
1 1 1   31    1    4 o  204.438   23.641   89.991   18.128   99.223   24.636   79.090   26.771  219.225   28.797  189.651   37.501 29.57420 47.28180 
1 1 1   31    1    5 o  199.891   22.941   84.764   17.380   73.791   24.322   96.213   24.845  184.242   35.111  215.539   29.538 -31.29657 45.88268 
1 1 1   31    1    6 o  142.099   24.330   44.450   13.497   35.052   19.167   53.694   19.010  126.311   36.702  157.887   31.950 -31.57631 48.66049 
1 1 1   31    1    8 o  193.937   35.640   68.920   20.453   59.648   21.979  128.810   55.860  164.975   35.212  222.899   61.975 -57.92458 71.27975 
1 1 1   31    1    9 o  320.974   32.046  239.805   31.555  247.452   36.150  215.329   64.673  347.079   26.690  294.868   58.269 52.21124 64.09119 
1 1 1   31    1   10 o  119.587   32.228   27.156   15.124   29.045   15.739   4.3979   54.639  115.571   33.165  123.604   55.270 -8.032799 64.45684 
1 1 1   31    1   11 o  126.078   37.403   12.067   34.788   51.915   45.720 -42.7279   53.613  150.144   56.846  102.012   48.626 48.13200 74.80647 
1 1 1   31    2    0 o  433.959   26.665  381.285   40.536  458.444   79.050  353.757   47.217  454.274   44.591  413.645   29.251 40.62915 53.32903 
1 1 1   31    2    1 o  196.727   35.488   53.732   19.685   39.592   20.863  168.514   59.442  133.704   38.123  259.750   59.869 -126.0464 70.97697 
1 1 1   31    2    2 o  118.573   24.823   30.775   12.555   23.128   18.783   36.951   16.881  106.856   36.979  130.289   33.127 -23.43345 49.64690 
1 1 1   31    2    3 o  239.772   21.101  119.604   19.595  135.750   27.741  103.527   27.682  256.976   27.663  222.569   31.871 34.40668 42.20233 
1 1 1   31    2    4 o  277.073   22.043  159.276   23.499  155.596   30.657  164.519   36.592  274.608   28.608  279.538   33.543 -4.930389 44.08598 
1 1 1   31    2    5 o  155.101   38.754   45.696   19.515   43.807   20.334   67.728   69.456  140.718   36.661  169.484   68.289 -28.76627 77.50710 
1 1 1   31    2    6 o  173.376   35.746   75.352   22.625   80.174   24.076   38.935   66.163  195.908   31.493  150.845   64.181 45.06285 71.49140 
1 1 1   31    2    7 o  147.249   42.866   34.294   17.735   34.253   17.932   36.123  120.113  125.010   35.240  169.487   78.153 -44.47768 85.73107 
1 1 1   31    2    8 o  133.799   33.709   40.788   20.445   47.470   21.761  -9.4945   59.698  145.825   37.894  121.774   55.762 24.05062 67.41889 
1 1 1   31    2    9 o  160.182   34.210   65.962   21.291   72.172   22.770   22.774   60.047  182.789   33.142  137.576   59.857 45.21262 68.41938 
1 1 1   31    2   10 o  136.088   36.049   29.181   14.923   27.256   15.393   59.281   60.872  112.197   32.974  159.979   64.116 -47.78211 72.09790 
1 1 1   31    2   11 o  128.995   35.374   19.599   32.505   65.048   38.977 -84.1925   58.901  163.029   53.254   94.960   46.576 68.06885 70.74802 
1 1 1   31    3    0 o  204.305   31.584   83.894   20.678  115.156   46.788   76.305   23.052  217.123   55.122  191.487   30.849 25.63554 63.16712 
1 1 1   31    3    1 o  185.743   37.896   84.921   23.825   87.787   25.193   60.653   73.306  205.124   31.473  166.361   68.948 38.76332 75.79155 
1 1 1   31    3    2 f  301.741   40.968  273.441   36.475  305.800   40.651  139.784   82.619  386.161   26.976  217.321   77.368 168.8401 81.93594 
1 1 1   31    3    3 o  143.258   39.824   22.096   16.780   17.827   17.254   96.478   72.022   97.379   35.273  189.137   71.411 -91.75806 79.64774 
1 1 1   31    3    4 o  139.719   38.059   11.488   15.614   5.4736   16.084  110.058   65.110   78.409   32.380  201.029   68.888 -122.6202 76.11804 
1 1 1   31    3    5 o  235.279   37.313  110.060   24.896  100.996   26.758  168.440   67.911  220.051   31.161  250.507   67.810 -30.45583 74.62696 
1 1 1   31    3    6 o  169.985   34.671   76.049   23.212   84.280   24.760   16.347   66.682  200.774   31.602  139.196   61.721 61.57820 69.34103 
1 1 1   31    3    7 o  267.860   47.862  220.408   34.003  224.540   34.897  142.842  151.198  330.571   27.052  205.150   91.822 125.4208 95.72424 
1 1 1   31    3    8 o   95.638   31.680  -0.4935   14.050  -0.1780   14.461  -5.8124   59.374   68.255   29.535  123.020   56.055 -54.76461 63.36001 
1 1 1   31    3    9 o  104.656   33.289   6.3523   14.963   5.9993   15.450   11.689   60.071   77.738   31.877  131.575   58.450 -53.83664 66.57752 
1 1 1   31    3   10 o  136.282   34.734   38.340   16.469   39.747   17.000   16.873   66.410  134.809   32.658  137.754   61.313 -2.944931 69.46809 
1 1 1   31    3   11 o  204.549   40.847  116.811   38.528  154.838   48.495   51.736   63.439  254.448   50.620  154.651   64.121 99.79662 81.69434 
1 1 1   31    4    0 o  230.474   32.348  122.310   24.753  115.978   49.129  124.464   28.656  215.999   57.331  244.949   29.978 -28.94902 64.69550 
1 1 1   31    4    1 o  108.742   35.849  -3.9389   17.580  -6.0120   18.158   27.099   70.259   70.539   31.679  146.944   64.319 -76.40475 71.69736 
1 1 1   31    4    2 o  125.398   35.845   27.208   19.089   29.595   19.839  -2.5859   70.088  117.465   37.967  133.331   60.812 -15.86632 71.69077 
1 1 1   31    4    3 o  173.450   38.283   55.407   20.215   49.525   21.393  104.424   61.761  149.546   36.888  197.355   67.095 -47.80898 76.56682 
1 1 1   31    4    4 o  181.991   37.882   67.164   20.602   63.217   21.794  100.305   63.153  170.725   33.907  193.257   67.754 -22.53175 75.76462 
1 1 1   31    4    5 o  166.384   31.983   76.309   27.670  104.096   30.505 -52.7037   65.731  221.299   35.323  111.470   53.329 109.8289 63.96649 
1 1 1   31    4    6 o  109.484   35.721  -9.4515   30.489  -6.9821   34.655 -17.9102   64.139   96.838   43.602  122.130   56.594 -25.29236 71.44250 
1 1 1   31    4    7 o  163.714   46.366   45.285   20.936   44.251   21.197   86.512  133.829  140.844   37.783  186.583   84.685 -45.73889 92.73162 
1 1 1   31    4    8 o  106.903   31.332   17.686   16.424   22.240   17.137 -33.6903   57.559  104.039   35.343  109.767   51.747 -5.728004 62.66426 
1 1 1   31    4    9 o  121.220   34.626   15.256   17.363   9.9407   18.475   55.468   50.815   87.654   35.254  154.786   59.607 -67.13222 69.25213 
1 1 1   31    4   10 o  229.071   35.294  113.984   22.604  109.740   24.345  140.512   60.866  230.626   27.050  227.516   65.199 3.110596 70.58801 
1 1 1   31    5    0 o  125.363   33.478   32.778   20.184   40.108   21.280 -32.8991   63.703  134.344   38.567  116.381   54.734 17.96339 66.95681 
1 1 1   31    5    1 o  136.172   38.165   35.243   31.070   50.306   36.578  -3.7809   58.877  148.274   51.587  124.069   56.257 24.20448 76.32906 
1 1 1   31    5    2 f  311.796   39.117  295.837   37.029  351.420   42.644  125.462   74.660  414.247   26.379  209.344   73.652 204.9027 78.23340 
1 1 1   31    5    3 o  342.554   27.176  241.049   36.329  241.049   36.329   0.0000   0.0000  342.554   27.176  ?   ?       ?      ? 
1 1 1   31    5    4 o  162.740   39.367   37.086   19.151   29.258   20.038  119.699   65.096  116.882   38.183  208.599   68.855 -91.71630 78.73351 
1 1 1   31    5    5 o  115.031   35.005   16.067   22.142   20.215   23.600 -14.4360   63.995  106.703   40.735  123.358   56.940 -16.65469 70.01057 
1 1 1   31    5    6 o  116.981   34.682   14.776   28.157   34.917   31.809 -58.1413   60.524  129.383   47.734  104.580   50.328 24.80363 69.36497 
1 1 1   31    5    7 o  170.820   48.432   45.882   21.008   43.740   21.257  135.749  137.674  139.881   37.969  201.760   89.112 -61.87889 96.86376 
1 1 1   31    5    8 o  155.018   33.106   63.066   20.862   70.911   22.294   7.8201   59.161  181.230   32.727  128.806   57.560 52.42450 66.21285 
1 1 1   31    5    9 o  117.675   30.971   29.158   17.431   35.629   18.488 -22.6615   52.318  126.863   35.789  108.487   50.556 18.37637 61.94186 
1 1 1   31    5   10 o   86.656   29.524  -6.5607   12.854  -6.2578   13.233 -11.6188   54.084   58.706   26.639  114.606   52.698 -55.90059 59.04877 
1 1 1   31    6    0 f  354.596   32.481  256.048   34.755  240.953   38.209  328.396   83.650  341.452   28.675  367.740   58.290 -26.28830 64.96167 
1 1 1   31    6    1 o  221.692   42.025  134.172   38.500  156.719   47.134   88.974   66.735  260.051   48.221  183.333   68.841 76.71771 84.04975 
1 1 1   31    6    2 o   97.288   32.204  -9.2797   18.347 -10.9089   19.414   4.3307   56.112   69.093   31.697  125.484   56.067 -56.39089 64.40702 
1 1 1   31    6    3 o  112.294   38.783   26.098   20.655   26.098   20.655   0.0000   0.0000  112.294   38.783  ?   ?       ?      ? 
1 1 1   31    6    4 o  173.685   38.382   72.258   22.929   73.881   24.139   57.284   73.325  184.215   34.856  163.155   68.394 21.06026 76.76364 
1 1 1   31    6    5 o  135.512   37.686   36.632   25.552   40.950   27.823   13.374   64.566  135.253   45.033  135.770   60.441 -0.5164490 75.37268 
1 1 1   31    6    6 o  241.301   38.884  166.691   38.637  213.522   47.042   69.609   67.732  313.906   38.402  168.697   67.624 145.2088 77.76744 
1 1 1   31    6    7 o   96.936   34.612  -3.7625   15.337  -0.8496   15.449 -203.1359  127.810   69.580   30.316  124.293   62.232 -54.71355 69.22306 
1 1 1   31    6    8 o  103.931   36.805   21.632   18.673   21.632   18.673   0.0000   0.0000  103.931   36.805  ?   ?       ?      ? 
1 1 1   31    6    9 o  201.855   44.542  101.259   24.822  101.697   25.232   88.114  138.156  220.849   29.277  182.862   84.136 37.98740 89.08456 
1 1 1   31    7    0 f  186.232   33.945  103.349   26.111  119.768   27.983  -7.1825   72.606  240.005   29.878  132.458   60.963 107.5468 67.89098 
1 1 1   31    7    1 o  247.802   37.609  177.059   42.132  262.844   53.131   31.724   69.155  347.946   39.129  147.658   64.240 200.2888 75.21865 
1 1 1   31    7    2 o  172.822   35.986   79.342   25.423   88.755   27.888   33.057   61.841  201.078   36.901  144.567   61.793 56.51096 71.97225 
1 1 1   31    7    3 o  173.785   44.184   66.751   24.631   67.383   25.138   51.532  123.349  173.958   38.085  173.611   79.739 0.3466187 88.36755 
1 1 1   31    7    4 f  256.711   36.256  215.831   32.915  258.343   36.920   51.140   72.668  354.529   26.686  158.894   67.423 195.6352 72.51183 
1 1 1   31    7    5 o  165.065   37.950   71.522   31.822   93.939   36.843   5.6859   63.141  199.438   47.933  130.691   58.849 68.74696 75.89976 
1 1 1   31    7    6 o  103.931   37.136  -4.0540   16.100  -2.5317   16.244 -89.1057  121.420   69.514   30.661  138.348   67.649 -68.83411 74.27272 
1 1 1   31    7    7 o  191.658   47.833   73.183   23.594   70.645   23.979  150.306  132.189  179.172   35.549  204.143   88.815 -24.97102 95.66509 
1 1 1   31    7    8 o  119.994   38.020   31.671   19.969   31.671   19.969   0.0000   0.0000  119.994   38.020  ?   ?       ?      ? 
1 1 1   31    8    0 o  277.416   43.990  188.573   42.571  178.415   49.533  217.279   83.270  281.524   45.087  273.308   75.550 8.216339 87.98063 
1 1 1   31    8    1 o  138.005   35.583   42.819   22.710   48.452   24.569   9.7616   59.521  145.915   41.290  130.095   57.964 15.82022 71.16697 
1 1 1   31    8    2 o   97.735   32.110 -13.2657   25.620  -9.6142   29.300 -25.1259   52.804   87.264   39.614  108.206   50.547 -20.94137 64.22050 
1 1 1   31    8    3 o  146.630   47.184   5.4301   23.778  -0.7579   24.289  147.809  116.508   85.941   37.712  207.320   86.505 -121.3792 94.36782 
1 1 1   31    8    4 o  230.872   47.696  139.502   30.627  138.907   31.386  151.358  140.086  257.262   31.263  204.483   90.124 52.77821 95.39214 
1 1 1   31    8    6 o  202.100   31.649   86.072   24.961   86.072   24.961   0.0000   0.0000  202.100   31.649  ?   ?       ?      ? 
1 1 1   31    9    0 o  279.154   51.246  243.529   37.782  244.795   38.597  214.529  184.767  343.183   28.820  215.126   98.357 128.0578 102.4928 
1 1 1   31    9    1 o  204.377   54.673  103.661   43.122   96.168   45.010  187.432  150.495  194.960   56.125  213.794   93.844 -18.83456 109.3462 
1 1 1   31    9    2 o  262.184   51.219  215.095   48.497  218.885   51.077  180.398  154.542  314.050   41.677  210.317   93.576 103.7330 102.4373 
1 1 1   31    9    3 o  359.195   61.327  237.628   40.792  216.356   41.699  710.690  196.643  319.023   33.494  399.368  117.992 -80.34528 122.6535 
1 1 1   32    0    0 o   49.860   22.216   2.8500   12.923   2.8500   12.923   2.8500   12.923   49.860   31.418   49.860   31.418 -0.000000 0.000000 
1 1 1   32    0    1 o  536.426   21.144  584.970   62.151  584.970   62.151  584.970   62.151  536.426   29.902  536.426   29.902 0.000000 0.000000 
1 1 1   32    0    2 o  228.284   55.032  150.141   62.199  150.141   62.199  150.141   62.199  228.284   77.827  228.284   77.827 0.000000 0.000000 
1 1 1   32    0    3 f  212.539   28.864  101.667   30.246  101.667   30.246  101.667   30.246  212.539   40.820  212.539   40.820 -0.000000 0.000000 
1 1 1   32    0    4 o  171.207   26.988   67.416   22.278   67.416   22.278   67.416   22.278  171.207   38.167  171.207   38.167 -0.000000 0.000000 
1 1 1   32    0    5 o  151.209   30.730   56.763   22.237   56.763   22.237   56.763   22.237  151.209   43.459  151.209   43.459 -0.000000 0.000000 
1 1 1   32    0    6 o  122.152   31.213   40.471   19.297   40.471   19.297   40.471   19.297  122.152   44.142  122.152   44.142 -0.000000 0.000000 
1 1 1   32    0    7 o   87.132   30.359   23.327   17.457   23.327   17.457   23.327   17.457   87.132   42.934   87.132   42.934 -0.000000 0.000000 
1 1 1   32    1    0 o  106.227   24.371   22.948   11.753   31.068   17.382   16.109   15.951  119.306   35.033   93.148   33.888 26.15855 48.74119 
1 1 1   32    1    1 o  138.822   36.003   30.377   16.119   66.488   56.505   27.178   16.817  165.269   63.046  112.375   34.785 52.89373 72.00616 
1 1 1   32    1    2 o  156.537   36.260   56.152   20.657   57.596   21.908   44.574   62.021  161.689   35.678  151.386   63.136 10.30362 72.51937 
1 1 1   32    1    3 o  104.637   25.156   22.563   12.382   18.266   18.524   26.033   16.647   99.011   36.443  110.264   34.688 -11.25372 50.31226 
1 1 1   32    1    4 o  110.184   24.840   25.959   12.071   23.684   17.395   28.072   16.764  106.514   35.611  113.853   34.640 -7.339645 49.67932 
1 1 1   32    1    5 o  138.559   26.000   42.791   14.285   42.446   20.673   43.106   19.761  137.817   37.458  139.301   36.067 -1.483826 51.99973 
1 1 1   32    1    6 o  170.413   35.817   72.275   22.098   76.030   23.415   41.675   66.841  190.186   31.548  150.641   64.312 39.54475 71.63306 
1 1 1   32    1    7 o  157.947   34.686   64.043   21.364   69.615   22.674   19.974   63.766  178.732   33.745  137.162   60.610 41.57030 69.37112 
1 1 1   32    2    0 o  174.001   25.115   66.229   16.476   76.640   23.894   56.793   22.749  188.166   33.782  159.837   37.174 28.32938 50.23055 
1 1 1   32    2    1 o  152.047   35.099   51.269   18.988   46.421   56.353   51.890   20.167  150.267   61.163  153.827   34.452 -3.560089 70.19865 
1 1 1   32    2    2 o  187.385   37.429   83.364   23.327   84.051   24.943   78.574   65.860  200.056   31.950  174.713   67.698 25.34369 74.85835 
1 1 1   32    2    3 o  137.993   26.703   43.212   14.951   35.180   22.796   49.274   19.805  126.284   40.687  149.702   34.595 -23.41838 53.40625 
1 1 1   32    2    4 o  133.881   25.229   39.844   14.047   24.755   20.064   54.349   19.672  109.698   38.205  158.064   32.960 -48.36610 50.45755 
1 1 1   32    2    5 o  154.730   43.280   52.117   42.316   81.102   51.554  -7.7297   74.080  177.112   61.265  132.349   61.150 44.76344 86.56074 
1 1 1   32    2    6 o  170.984   40.219   21.612   16.633   13.327   17.054  183.250   75.327   90.058   34.569  251.911   72.632 -161.8525 80.43891 
1 1 1   32    2    7 o  153.598   38.149   42.199   18.513   38.466   19.345   82.838   63.830  131.339   36.455  175.857   67.027 -44.51729 76.29894 
1 1 1   32    3    0 o  131.000   24.983   36.477   13.174   49.730   20.315   26.858   17.307  150.133   35.273  111.868   35.389 38.26550 49.96564 
1 1 1   32    3    1 o   79.399   24.280   5.4920   11.327 -154.1210   55.578   12.409   11.570   77.233   38.979   81.565   28.961 -4.332367 48.56012 
1 1 1   32    3    2 o  133.735   25.870   38.963   13.974   48.855   20.952   31.038   18.754  148.267   36.465  119.202   36.707 29.06431 51.74015 
1 1 1   32    3    3 o  259.550   41.392  154.317   34.059  144.824   37.807  195.202   78.458  259.010   37.404  260.090   73.852 -1.079834 82.78397 
1 1 1   32    3    4 o  113.832   33.159   21.560   17.833   25.836   18.538 -31.4893   65.299  110.496   36.757  117.169   55.199 -6.672974 66.31767 
1 1 1   32    3    5 o  134.789   41.205   18.580   36.861   4.4631   44.285   50.419   66.506  114.129   50.467  155.449   65.149 -41.31963 82.40935 
1 1 1   32    3    6 o   99.944   31.714   9.6321   16.131   14.333   16.504 -90.9432   76.337   90.775   34.205  109.113   53.414 -18.33762 63.42748 
1 1 1   32    4    0 o   79.784   22.541   8.3557   10.150   6.5330   17.936   9.2143   12.311   82.682   34.173   76.885   29.404 5.797012 45.08225 
1 1 1   32    4    1 o  218.832   39.496  139.497   30.488  150.156   32.668   67.539   84.876  267.600   31.283  170.065   72.534 97.53481 78.99229 
1 1 1   32    4    2 o  258.694   49.415  227.449   57.897  253.218   63.027   88.201  146.513  331.341   48.744  186.047   85.973 145.2933 98.83018 
1 1 1   32    4    3 o  139.334   40.079   16.611   17.816   11.246   18.367  102.037   73.295   89.094   35.379  189.574   71.928 -100.4800 80.15778 
1 1 1   32    4    4 o  164.279   36.197   68.068   21.887   72.055   23.057   31.750   69.585  182.045   33.697  146.513   64.073 35.53230 72.39371 
1 1 1   32    4    5 o  102.608   34.913 -45.0812   29.799 -59.0294   33.295   11.073   66.806   70.425   34.637  134.791   60.629 -64.36568 69.82530 
1 1 1   32    4    6 o  138.446   37.032   41.613   20.963   45.371   21.631 -16.4061   84.994  141.786   38.225  135.106   63.438 6.679337 74.06416 
1 1 1   32    5    0 o  173.307   40.033   71.588   23.900   72.649   24.943   59.697   83.511  181.303   36.517  165.310   71.254 15.99306 80.06633 
1 1 1   32    5    1 o  205.409   40.818   93.688   25.944   88.299   27.767  130.736   72.804  200.083   36.922  210.735   72.810 -10.65242 81.63689 
1 1 1   32    5    2 o  160.207   48.855   50.910   46.139   50.800   50.174   51.516  117.422  150.358   58.858  170.055   77.993 -19.69695 97.70940 
1 1 1   32    5    3 o   72.704   26.805 -31.6426   13.991 -29.1501   14.362 -78.1040   62.006   45.797   22.567   99.611   48.629 -53.81361 53.61038 
1 1 1   32    5    4 o   99.606   29.993   11.777   17.975   22.054   18.541 -149.0894   73.356  104.344   36.704   94.867   47.446 9.476563 59.98615 
1 1 1   32    6    0 o  152.745   43.752   29.532   25.691   20.369   26.999  117.264   83.542  109.390   43.067  196.100   76.173 -86.70992 87.50459 
1 1 1   32    6    1 o   97.640   30.961   4.0780   19.933   13.377   20.971 -82.9171   64.145   95.007   37.780  100.272   49.060 -5.265251 61.92131 
1 1 1   32    6    2 o  179.978   40.127   72.763   40.186  151.167   55.500 -13.6404   58.263  242.581   59.159  117.374   54.231 125.2067 80.25431 
#END OF REFLECTIONS
