data_r4c4zsf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4c4z 
_cell.length_a      46.4910 
_cell.length_b      79.8460 
_cell.length_c      87.2150 
_cell.angle_alpha   90.0000 
_cell.angle_beta    89.3790 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54179 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.038 
_diffrn_reflns.pdbx_d_res_low    87.215 
_diffrn_reflns.limit_h_max       22 
_diffrn_reflns.limit_h_min       -22 
_diffrn_reflns.limit_k_max       39 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       42 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            40817 
_diffrn_reflns.pdbx_number_obs   35549 
# 
_entry.id   4c4z 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4c4z 
_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_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -22    0    8 o  116.504   10.229  142.303   23.485 -0.000000 0.000000 
1 1 1  -22    1    8 o  170.447   7.3375  298.847   25.013      ?      ? 
1 1 1  -22    2    8 o   89.394   12.458   88.132   22.274      ?      ? 
1 1 1  -22    3    8 o   88.918   12.771   94.615   22.711      ?      ? 
1 1 1  -21    0    8 o  133.727   8.0982  182.798   21.494 -0.000000 0.000000 
1 1 1  -21    0    9 o   85.788   11.948   77.364   20.033 -0.000000 0.000000 
1 1 1  -21    0   10 o  138.448   7.8302  195.343   21.536 -0.000000 0.000000 
1 1 1  -21    0   11 o  106.505   10.083  118.243   21.121 -0.000000 0.000000 
1 1 1  -21    1    8 o  137.396   7.6265  192.571   20.957      ?      ? 
1 1 1  -21    1    9 o  145.383   5.2011  215.042   15.081 -13.98360 10.40212 
1 1 1  -21    1   10 o   72.319   10.285   57.449   14.358 9.265610 20.57001 
1 1 1  -21    1   11 o  117.023   6.4905  140.081   15.073 20.21329 12.98105 
1 1 1  -21    1   12 o  273.170   5.6181  752.413   30.694      ?      ? 
1 1 1  -21    1   13 o   93.943   11.338   91.217   21.302      ?      ? 
1 1 1  -21    2    8 o   92.585   10.801   89.106   20.000      ?      ? 
1 1 1  -21    2    9 o  110.057   9.2889  124.361   20.446      ?      ? 
1 1 1  -21    2   10 o  102.918   10.258  109.504   21.115      ?      ? 
1 1 1  -21    2   11 o  181.986   4.6299  335.383   16.843 3.406555 9.259777 
1 1 1  -21    2   12 o  105.067   9.9488  113.215   20.906      ?      ? 
1 1 1  -21    2   13 o  152.427   7.2470  235.578   22.093      ?      ? 
1 1 1  -21    2   14 o  181.414   6.5526  334.199   23.775      ?      ? 
1 1 1  -21    3    7 o  112.223   9.3694  129.856   21.029      ?      ? 
1 1 1  -21    3    8 o  141.121   7.5027  202.814   21.176      ?      ? 
1 1 1  -21    3    9 o  116.947   8.9017  140.110   20.821      ?      ? 
1 1 1  -21    3   10 o   92.984   11.207   90.008   20.841      ?      ? 
1 1 1  -21    3   11 o  135.930   8.1337  188.371   22.112      ?      ? 
1 1 1  -21    4    7 o   78.226   12.957   64.705   20.272      ?      ? 
1 1 1  -21    4    8 o   66.750   15.560   49.616   20.409      ?      ? 
1 1 1  -21    4    9 o   89.699   8.1434   84.903   14.385 -15.11640 16.28685 
1 1 1  -21    4   10 o  115.819   6.4273  137.661   14.882 2.160744 12.85458 
1 1 1  -21    4   11 o  166.526   4.8218  280.846   16.038 -11.24786 9.643675 
1 1 1  -21    4   12 o  189.209   6.3643  361.705   24.084      ?      ? 
1 1 1  -21    5    8 o   91.371   11.007   86.613   20.115      ?      ? 
1 1 1  -21    5    9 o  114.973   9.0726  135.736   20.862      ?      ? 
1 1 1  -21    5   10 o   74.474   14.533   60.661   20.875      ?      ? 
1 1 1  -21    5   11 o  107.506   7.2470  118.283   15.534 -4.462311 14.49403 
1 1 1  -21    5   12 o  132.535   8.8722  179.312   23.517      ?      ? 
1 1 1  -21    5   13 o  115.339   9.8230  137.387   22.660      ?      ? 
1 1 1  -21    6    6 o   97.319   10.249   97.913   19.948      ?      ? 
1 1 1  -21    6    7 f  103.844   9.6369  110.922   20.015      ?      ? 
1 1 1  -21    6    9 o  105.015   9.8788  113.703   20.748      ?      ? 
1 1 1  -21    6   10 o  147.408   5.2896  220.180   15.578 -5.509430 10.57912 
1 1 1  -21    6   11 o  135.333   7.7591  185.967   21.001      ?      ? 
1 1 1  -21    6   12 o   77.122   12.570   62.176   19.389      ?      ? 
1 1 1  -21    7    6 o  135.014   8.0658  185.947   21.780      ?      ? 
1 1 1  -21    7    7 o  143.109   7.7122  208.720   22.074      ?      ? 
1 1 1  -21    7   11 o   97.847   10.484   98.592   20.516      ?      ? 
1 1 1  -21    7   12 o   56.940   16.614   36.614   20.083      ?      ? 
1 1 1  -21    8    7 o  116.677   9.3122  139.895   21.730      ?      ? 
1 1 1  -21    8    8 o   85.346   12.367   75.950   21.109      ?      ? 
1 1 1  -21    8    9 o  141.193   7.7521  202.405   21.891      ?      ? 
1 1 1  -21    8   10 o  111.641   6.7443  127.636   15.057 0.5090942 13.48864 
1 1 1  -21    8   11 o   94.292   8.1194   93.364   15.141 -15.51942 16.23874 
1 1 1  -21   10   10 f   98.412   11.040  105.011   21.728      ?      ? 
1 1 1  -21   11    9 o  129.531   8.8416  183.189   22.905      ?      ? 
1 1 1  -20    0    9 o  241.419   5.5335  586.238   26.687 -0.000000 0.000000 
1 1 1  -20    0   10 o  108.655   9.2957  122.052   19.917 -0.000000 0.000000 
1 1 1  -20    0   11 o   31.637   18.489   13.641   19.138 -0.000000 0.000000 
1 1 1  -20    0   12 o   53.026   19.734   39.202   19.393 -0.000000 0.000000 
1 1 1  -20    0   13 o   23.263   15.596  -4.5031   19.596 -0.000000 0.000000 
1 1 1  -20    0   14 o   69.528   16.325   57.343   19.705 -0.000000 0.000000 
1 1 1  -20    0   15 o   94.314   10.953   94.085   20.188 -0.000000 0.000000 
1 1 1  -20    0   16 o  154.804   7.0801  243.090   21.822 -0.000000 0.000000 
1 1 1  -20    0   17 o  120.590   8.6414  149.026   20.626 -0.000000 0.000000 
1 1 1  -20    0   18 o   95.939   10.664   96.823   20.024 -0.000000 0.000000 
1 1 1  -20    1    3 f  137.038   8.0457  190.321   22.051      ?      ? 
1 1 1  -20    1    8 o   50.941   16.819   28.087   19.904      ?      ? 
1 1 1  -20    1    9 o   91.006   7.6639   85.788   13.838 14.09737 15.32771 
1 1 1  -20    1   10 o   94.637   7.2781   92.452   13.750 -4.894180 14.55611 
1 1 1  -20    1   11 o  134.266   5.3577  183.458   14.377 1.111420 10.71542 
1 1 1  -20    1   12 o   75.113   9.7065   62.711   13.871 -30.10896 19.41299 
1 1 1  -20    1   13 o   57.190   10.494   35.677   13.996 -35.64814 20.98726 
1 1 1  -20    1   14 o   80.350   8.7578   68.138   14.047 -1.621796 17.51569 
1 1 1  -20    1   15 o   51.042   16.903   27.793   20.103      ?      ? 
1 1 1  -20    1   16 o   45.183   11.640   18.348   14.150 11.52349 23.27995 
1 1 1  -20    1   17 o   98.719   7.1826   99.983   14.133 -11.04188 14.36519 
1 1 1  -20    1   18 o  151.674   6.9351  233.183   21.037      ?      ? 
1 1 1  -20    2    8 o  167.463   6.6217  284.507   22.178      ?      ? 
1 1 1  -20    2    9 o  140.088   5.1679  199.075   14.478 1.910660 10.33582 
1 1 1  -20    2   10 o  166.163   4.5328  279.474   15.062 -3.183731 9.065677 
1 1 1  -20    2   11 o  142.330   5.0795  205.743   14.455 2.459183 10.15903 
1 1 1  -20    2   12 o  128.798   5.5679  168.687   14.321 9.936829 11.13588 
1 1 1  -20    2   13 o   70.507   10.267   54.940   13.995 -6.235825 20.53415 
1 1 1  -20    2   14 o   71.314   10.019   55.996   13.964 -15.88051 20.03871 
1 1 1  -20    2   15 o  121.900   6.0042  152.186   14.607 -5.181099 12.00844 
1 1 1  -20    2   16 o  145.373   7.4300  215.087   21.602      ?      ? 
1 1 1  -20    2   17 f   93.765   10.598   90.441   19.875      ?      ? 
1 1 1  -20    3    8 o   87.707   11.524   80.020   20.215      ?      ? 
1 1 1  -20    3    9 o   77.187   9.2258   63.335   13.887 5.751076 18.45158 
1 1 1  -20    3   10 o   88.700   7.6307   81.484   13.535 1.969536 15.26143 
1 1 1  -20    3   11 o  168.016   4.4590  286.076   14.964 -8.629486 8.917983 
1 1 1  -20    3   12 o  132.436   5.3610  178.633   14.186 -2.868683 10.72198 
1 1 1  -20    3   13 o   71.719   9.8306   56.438   13.567 -1.968658 19.66118 
1 1 1  -20    3   14 o  136.812   5.3116  191.147   14.503 -5.734406 10.62320 
1 1 1  -20    3   15 o  147.882   5.2294  222.393   15.457 6.898743 10.45880 
1 1 1  -20    3   16 o  192.124   6.2662  373.597   24.078      ?      ? 
1 1 1  -20    3   17 o  158.067   7.0912  253.047   22.418      ?      ? 
1 1 1  -20    4    6 o   37.024   15.937   1.8895   21.363      ?      ? 
1 1 1  -20    4    7 o   82.263   12.273   71.119   20.193      ?      ? 
1 1 1  -20    4    8 o  112.886   8.8560  130.200   19.994      ?      ? 
1 1 1  -20    4    9 o  202.794   5.6973  415.056   23.108      ?      ? 
1 1 1  -20    4   10 o  160.779   4.6809  262.360   15.029 4.418854 9.361746 
1 1 1  -20    4   11 o  147.663   5.0829  222.172   14.956 12.79129 10.16580 
1 1 1  -20    4   12 o  146.734   5.1654  218.764   15.137 -2.225845 10.33081 
1 1 1  -20    4   13 f  149.960   5.1005  228.279   15.273 -9.307678 10.20106 
1 1 1  -20    4   14 o   67.333   10.986   50.742   14.503 3.578621 21.97284 
1 1 1  -20    4   15 o   55.372   11.584   32.066   14.756 -24.56176 23.16815 
1 1 1  -20    4   16 o  129.971   6.0161  171.997   15.618 -7.176605 12.03220 
1 1 1  -20    4   17 o  152.182   5.2860  234.727   16.080 -6.892548 10.57195 
1 1 1  -20    4   18 o  152.403   7.0957  236.551   21.628      ?      ? 
1 1 1  -20    5    3 o  118.917   8.7622  144.038   20.840      ?      ? 
1 1 1  -20    5    4 o  161.526   6.8819  264.513   22.232      ?      ? 
1 1 1  -20    5    5 o  105.878   10.011  116.124   21.199      ?      ? 
1 1 1  -20    5    6 o  125.744   8.5907  162.222   21.604      ?      ? 
1 1 1  -20    5    7 o  111.689   9.0755  127.727   20.273      ?      ? 
1 1 1  -20    5    8 o  192.868   5.9443  375.586   22.929      ?      ? 
1 1 1  -20    5    9 f  158.106   6.6890  253.396   21.152      ?      ? 
1 1 1  -20    5   10 o  102.027   9.6932  107.129   19.779      ?      ? 
1 1 1  -20    5   11 o   86.748   11.404   78.239   19.786      ?      ? 
1 1 1  -20    5   12 o  213.555   5.7638  461.107   24.618      ?      ? 
1 1 1  -20    5   15 o   63.787   11.508   45.804   14.729 -1.259205 23.01571 
1 1 1  -20    5   16 o   93.615   10.943   90.412   20.489      ?      ? 
1 1 1  -20    5   17 f  120.866   8.5863  148.997   20.756      ?      ? 
1 1 1  -20    6    1 o  213.452   5.8064  459.646   24.788      ?      ? 
1 1 1  -20    6    2 o  266.604   5.5609  717.114   29.651      ?      ? 
1 1 1  -20    6    3 o  247.465   5.6276  618.807   27.853      ?      ? 
1 1 1  -20    6    6 o   65.803   15.648   48.082   20.320      ?      ? 
1 1 1  -20    6    7 o   71.941   14.034   56.117   19.473      ?      ? 
1 1 1  -20    6    8 o   73.383   13.409   58.235   18.948      ?      ? 
1 1 1  -20    6    9 o  105.825   9.0670  114.877   19.190      ?      ? 
1 1 1  -20    6   10 o  131.645   5.3049  176.311   13.962 -1.905487 10.60972 
1 1 1  -20    6   11 o  162.991   4.4840  269.654   14.583 -8.131683 8.968075 
1 1 1  -20    6   12 o   36.595   10.593   4.2270   13.103 -11.25286 21.18620 
1 1 1  -20    6   13 o   59.613   11.058   39.583   13.382 7.547245 22.11537 
1 1 1  -20    6   14 o   83.961   11.558   73.445   19.408      ?      ? 
1 1 1  -20    6   15 o   52.557   16.738   30.052   19.782      ?      ? 
1 1 1  -20    6   16 o  132.338   7.7949  177.840   20.631      ?      ? 
1 1 1  -20    6   17 f   50.156   11.784   26.562   13.855 3.757629 23.56867 
1 1 1  -20    7    6 o  102.157   9.5633  106.970   19.539      ?      ? 
1 1 1  -20    7    7 o  112.016   8.5165  128.172   19.080      ?      ? 
1 1 1  -20    7    8 o   81.302   11.493   68.841   18.688      ?      ? 
1 1 1  -20    7    9 o   70.156   13.684   53.522   18.515      ?      ? 
1 1 1  -20    7   10 o   97.448   9.5743   97.664   18.660      ?      ? 
1 1 1  -20    7   11 o   69.529   13.640   52.869   18.292      ?      ? 
1 1 1  -20    7   12 o   96.817   9.7193   96.851   18.820      ?      ? 
1 1 1  -20    7   13 o   82.222   11.656   70.448   19.168      ?      ? 
1 1 1  -20    7   14 o   44.484   16.442   18.351   19.347      ?      ? 
1 1 1  -20    7   15 o  107.796   9.3179  118.924   20.089      ?      ? 
1 1 1  -20    7   16 o  156.793   6.6842  248.733   20.961      ?      ? 
1 1 1  -20    8    6 o   82.167   12.916   70.941   21.225      ?      ? 
1 1 1  -20    8    7 o  117.930   9.1708  142.743   21.630      ?      ? 
1 1 1  -20    8    8 o  204.430   6.0331  422.549   24.667      ?      ? 
1 1 1  -20    8    9 o  157.703   7.0504  252.518   22.237      ?      ? 
1 1 1  -20    8   10 o   90.240   7.8179   84.702   14.090 1.055611 15.63588 
1 1 1  -20    8   11 o   48.548   11.683   24.796   13.588 3.545624 23.36651 
1 1 1  -20    8   12 o  183.311   6.1512  340.083   22.551      ?      ? 
1 1 1  -20    8   13 o   78.995   12.882   65.711   20.352      ?      ? 
1 1 1  -20    8   14 o   99.802   10.484  102.877   20.927      ?      ? 
1 1 1  -20    8   15 o  116.510   6.2179  138.322   14.484 -3.947037 12.43583 
1 1 1  -20    8   16 o   47.016   11.688   22.071   13.627 0.9980621 23.37684 
1 1 1  -20    9    5 o  143.648   7.3622  209.852   21.151      ?      ? 
1 1 1  -20    9    6 o   85.907   11.676   76.924   20.062      ?      ? 
1 1 1  -20    9    7 o   85.212   11.958   75.758   20.379      ?      ? 
1 1 1  -20    9    8 o  136.661   7.8938  190.380   21.575      ?      ? 
1 1 1  -20    9    9 o   77.638   13.969   65.822   20.900      ?      ? 
1 1 1  -20    9   10 o  104.730   10.088  113.661   21.130      ?      ? 
1 1 1  -20    9   11 o  157.360   4.8041  251.694   15.097 -7.635117 9.608249 
1 1 1  -20    9   12 o   62.299   11.248   43.314   14.185 11.87542 22.49689 
1 1 1  -20    9   13 o  119.468   6.2075  146.233   14.828 -3.153854 12.41490 
1 1 1  -20    9   14 o  142.531   5.3300  206.169   15.186 5.649460 10.66001 
1 1 1  -20    9   15 o  115.276   6.3980  135.891   14.743 -4.124451 12.79606 
1 1 1  -20   10    5 o  138.594   7.8161  195.648   21.665      ?      ? 
1 1 1  -20   10    6 o  144.206   7.5697  211.592   21.832      ?      ? 
1 1 1  -20   10    7 o  156.727   7.0741  249.556   22.174      ?      ? 
1 1 1  -20   10    8 o  149.284   7.3251  226.955   21.870      ?      ? 
1 1 1  -20   10    9 o  184.719   6.3110  346.045   23.315      ?      ? 
1 1 1  -20   10   10 f   90.484   11.236   85.219   20.334      ?      ? 
1 1 1  -20   10   11 o   80.263   12.799   67.716   20.546      ?      ? 
1 1 1  -20   10   12 o   56.803   16.919   36.045   20.640      ?      ? 
1 1 1  -20   10   13 o  127.025   8.5375  164.461   21.690      ?      ? 
1 1 1  -20   10   14 o  197.270   6.2271  393.115   24.568      ?      ? 
1 1 1  -20   10   15 o   78.199   12.946   64.797   20.247      ?      ? 
1 1 1  -20   11    4 o  167.865   6.8098  285.810   22.862      ?      ? 
1 1 1  -20   11    5 o  208.903   6.0050  441.412   25.089      ?      ? 
1 1 1  -20   11    6 o  203.620   6.1507  419.876   25.048      ?      ? 
1 1 1  -20   11    7 o  260.058   5.7134  684.114   29.716      ?      ? 
1 1 1  -20   11    8 o  119.199   9.2961  146.358   22.162      ?      ? 
1 1 1  -20   11    9 o  147.227   7.8160  220.931   23.015      ?      ? 
1 1 1  -20   11   10 o  180.309   6.6764  329.687   24.076      ?      ? 
1 1 1  -20   11   11 o   86.817   8.5463   78.476   14.789 9.845184 17.09251 
1 1 1  -20   11   12 o  106.155   7.0458  115.788   14.941 -4.623131 14.09161 
1 1 1  -20   11   13 o   99.210   7.4276  101.338   14.718 5.684952 14.85518 
1 1 1  -20   11   14 o  144.836   5.3142  212.994   15.371 -8.853653 10.62837 
1 1 1  -20   11   15 o   87.966   8.5446  112.100   15.112 -108.3132 17.08920 
1 1 1  -20   12    3 f  186.813   6.0889  353.296   22.750      ?      ? 
1 1 1  -20   12    4 o  163.257   6.7199  270.676   21.942      ?      ? 
1 1 1  -20   12    5 o  113.658   9.1476  133.020   20.794      ?      ? 
1 1 1  -20   12    6 o  182.555   6.3612  338.002   23.225      ?      ? 
1 1 1  -20   12    7 f  175.926   6.5750  313.855   23.134      ?      ? 
1 1 1  -20   12    8 o  174.171   6.7436  307.608   23.491      ?      ? 
1 1 1  -20   12    9 o  127.302   8.6871  166.021   22.118      ?      ? 
1 1 1  -20   12   10 o   73.937   15.339   60.444   21.923      ?      ? 
1 1 1  -20   12   11 o   95.980   7.7591   94.486   14.853 8.224266 15.51828 
1 1 1  -20   12   12 o  100.559   7.3939  104.272   14.696 19.69114 14.78787 
1 1 1  -20   12   13 o   44.555   11.496   15.996   14.117 -16.61663 22.99200 
1 1 1  -20   12   14 o   98.050   7.5353  114.906   14.246 29.65028 15.07060 
1 1 1  -20   13    3 o   80.486   12.201   68.162   19.640      ?      ? 
1 1 1  -20   13    4 o  137.159   7.5552  191.742   20.725      ?      ? 
1 1 1  -20   13    5 o  138.390   7.6079  195.044   21.057      ?      ? 
1 1 1  -20   13    6 o  167.479   6.6505  284.315   22.276      ?      ? 
1 1 1  -20   13    7 o  138.023   7.7443  194.160   21.378      ?      ? 
1 1 1  -20   13    8 o   82.062   12.375   70.686   20.311      ?      ? 
1 1 1  -20   13    9 o  135.025   7.8822  185.523   21.286      ?      ? 
1 1 1  -20   13   10 o  146.055   7.5841  216.445   22.154      ?      ? 
1 1 1  -20   13   11 o  135.436   5.5417  187.460   14.922 -9.766098 11.08342 
1 1 1  -20   13   12 o  156.070   4.8260  247.938   15.033 -5.663071 9.651955 
1 1 1  -20   13   13 o   49.004   10.846   44.035   13.151 -23.08622 21.69218 
1 1 1  -20   14    5 o   60.538   16.182   41.177   19.975      ?      ? 
1 1 1  -20   14    6 o   91.483   11.012   86.943   20.148      ?      ? 
1 1 1  -20   14    7 o  111.575   9.1153  127.454   20.341      ?      ? 
1 1 1  -20   14    8 f  134.832   7.6647  184.548   20.669      ?      ? 
1 1 1  -20   14    9 o  123.737   8.3417  155.860   20.644      ?      ? 
1 1 1  -20   14   10 f  151.826   7.1483  233.906   21.706      ?      ? 
1 1 1  -20   14   11 f   81.944   8.7030   73.193   13.709 -13.83301 17.40600 
1 1 1  -20   15    1 o  152.200   7.0573  235.411   21.482      ?      ? 
1 1 1  -20   15    5 o  110.848   9.0986  125.585   20.171      ?      ? 
1 1 1  -20   15    6 o  129.692   7.8784  170.858   20.435      ?      ? 
1 1 1  -20   15    7 o  124.095   8.1182  156.624   20.149      ?      ? 
1 1 1  -20   15    8 o  149.803   7.0675  227.562   21.175      ?      ? 
1 1 1  -20   15    9 o  112.711   8.6028  130.402   19.393      ?      ? 
1 1 1  -20   15   10 f  149.392   6.4299  232.965   19.211      ?      ? 
1 1 1  -20   16    5 o  184.585   6.5739  344.737   24.269      ?      ? 
1 1 1  -20   16    6 o  108.398   10.452  121.367   22.659      ?      ? 
1 1 1  -20   16    7 o   73.135   15.743   60.474   22.368      ?      ? 
1 1 1  -20   16    8 o  164.676   7.3144  285.427   24.090      ?      ? 
1 1 1  -20   17    5 o   65.725   16.967   54.869   22.449      ?      ? 
1 1 1  -19    0    4 o  211.846   5.7369  450.444   24.267 -0.000000 0.000000 
1 1 1  -19    0    5 o  167.016   6.9115  281.076   23.001 -0.000000 0.000000 
1 1 1  -19    0    8 o  213.035   5.9890  457.233   25.473 -0.000000 0.000000 
1 1 1  -19    0    9 o  246.630   5.5015  611.796   27.107 -0.000000 0.000000 
1 1 1  -19    0   10 o   92.092   11.247   90.132   20.204 -0.000000 0.000000 
1 1 1  -19    0   11 o   53.670   19.870   39.910   19.716 -0.000000 0.000000 
1 1 1  -19    0   12 o  182.139   6.1278  334.125   22.267 -0.000000 0.000000 
1 1 1  -19    0   13 o   24.345   16.083  -1.6901   19.442 -0.000000 0.000000 
1 1 1  -19    0   14 o   18.922   13.380 -18.1715   19.038 -0.000000 0.000000 
1 1 1  -19    0   15 o  148.870   6.8344  224.423   20.257 -0.000000 0.000000 
1 1 1  -19    0   16 o   57.745   18.691   43.746   19.014 -0.000000 0.000000 
1 1 1  -19    0   17 o   44.197   20.081   29.820   19.065 -0.000000 0.000000 
1 1 1  -19    0   18 o  111.276   9.0998  128.066   19.989 -0.000000 0.000000 
1 1 1  -19    0   19 o   38.747   20.188   23.566   20.168 -0.000000 0.000000 
1 1 1  -19    0   20 o   22.173   15.233 -10.3720   20.758 -0.000000 0.000000 
1 1 1  -19    0   21 o  209.593   5.8236  442.213   24.370 -0.000000 0.000000 
1 1 1  -19    1    3 f  180.733   6.4167  327.910   23.194      ?      ? 
1 1 1  -19    1    4 o  198.133   4.3482  389.948   17.139 -20.18956 8.696494 
1 1 1  -19    1    5 f  167.505   5.0149  278.816   16.667 -15.03139 10.02982 
1 1 1  -19    1    8 o   99.030   7.2103  100.681   14.259 -5.410378 14.42062 
1 1 1  -19    1    9 o   66.679   10.392   48.773   13.492 -5.690933 20.78329 
1 1 1  -19    1   10 o   53.348   11.717   31.169   13.829 -3.825924 23.43349 
1 1 1  -19    1   11 o  134.532   5.3540  183.774   14.395 -1.219421 10.70804 
1 1 1  -19    1   12 o  130.636   5.5051  172.178   14.350 12.46769 11.01026 
1 1 1  -19    1   13 o  136.074   5.3756  188.352   14.589 -8.964783 10.75125 
1 1 1  -19    1   14 o   69.814   9.8717   53.712   13.462 -15.91151 19.74340 
1 1 1  -19    1   15 o   90.130   7.4530   84.138   13.360 -8.114326 14.90592 
1 1 1  -19    1   16 o   35.729   10.728   2.4451   13.402 3.833008 21.45617 
1 1 1  -19    1   17 o  132.580   5.4051  178.739   14.321 7.188080 10.81011 
1 1 1  -19    1   18 o  122.861   5.8424  154.329   14.342 7.130875 11.68482 
1 1 1  -19    1   19 f  185.038   4.4038  346.470   16.270 0.4417419E-01 8.807531 
1 1 1  -19    1   20 o   73.782   10.273   59.759   14.613 5.099213 20.54582 
1 1 1  -19    1   21 o   96.660   7.4528   95.669   14.320 14.99879 14.90569 
1 1 1  -19    1   22 o  121.938   8.3320  153.459   20.320      ?      ? 
1 1 1  -19    2    3 o  167.284   7.7295  281.359   25.860      ?      ? 
1 1 1  -19    2    4 o  150.596   5.6965  227.602   17.130 11.50612 11.39299 
1 1 1  -19    2    5 o  147.255   8.5117  218.776   25.068      ?      ? 
1 1 1  -19    2    7 o  184.565   4.6232  344.785   17.051 -10.26350 9.246330 
1 1 1  -19    2    8 o   53.977   11.708   31.808   13.833 1.611225 23.41564 
1 1 1  -19    2    9 o   35.237   10.657  -0.1160   13.654 -7.736227 21.31467 
1 1 1  -19    2   10 o   52.506   11.185   29.837   13.364 -17.00563 22.37025 
1 1 1  -19    2   11 o   54.526   11.190   31.617   13.413 17.40448 22.37964 
1 1 1  -19    2   12 o   96.760   7.1348   95.357   13.759 11.23926 14.26957 
1 1 1  -19    2   13 o  153.665   4.7593  239.206   14.598 -1.695114 9.518661 
1 1 1  -19    2   14 o  121.484   5.7195  150.365   13.875 8.638588 11.43903 
1 1 1  -19    2   15 o   71.198   9.6301   54.023   13.411 11.98531 19.26013 
1 1 1  -19    2   16 f   99.060   7.1142  101.220   14.050 10.47689 14.22841 
1 1 1  -19    2   17 o   92.149   7.7924   89.152   14.098 -20.07048 15.58471 
1 1 1  -19    2   18 o  158.852   4.8843  257.398   15.465 -12.95705 9.768522 
1 1 1  -19    2   19 o  110.238   6.9070  124.968   15.189 11.00250 13.81406 
1 1 1  -19    2   20 o   49.945   11.940   24.280   14.712 -16.39458 23.88087 
1 1 1  -19    2   21 o  218.981   4.2179  484.432   18.439 3.979034 8.435889 
1 1 1  -19    2   22 o   31.120   14.092  -6.0322   18.816      ?      ? 
1 1 1  -19    3    3 o  193.105   6.9376  374.571   26.794      ?      ? 
1 1 1  -19    3    4 o  234.370   6.4464  551.786   30.217      ?      ? 
1 1 1  -19    3    5 o  156.108   8.6506  246.533   27.008      ?      ? 
1 1 1  -19    3    6 o  184.338   4.9897  342.377   18.302 7.840149 9.979463 
1 1 1  -19    3    7 o  243.461   4.2007  593.845   20.318 16.54443 8.401309 
1 1 1  -19    3    8 o  183.480   4.6416  340.052   17.009 6.315887 9.283107 
1 1 1  -19    3    9 o   32.185   14.698 -11.6222   21.267      ?      ? 
1 1 1  -19    3   10 o   66.445   9.8893   46.031   13.836 47.19925 19.77868 
1 1 1  -19    3   11 o  123.215   5.7561  152.855   14.111 17.22986 11.51229 
1 1 1  -19    3   12 o  127.805   5.5236  164.457   14.062 6.958855 11.04715 
1 1 1  -19    3   13 o   82.944   8.3994   71.910   13.918 4.799080 16.79871 
1 1 1  -19    3   14 o   34.902   10.290  -7.5419   13.730 -20.37338 20.58096 
1 1 1  -19    3   15 o  125.555   5.7564  160.047   14.427 -9.394386 11.51273 
1 1 1  -19    3   16 o   91.103   7.8403   86.671   14.183 10.04877 15.68059 
1 1 1  -19    3   17 f   86.875   8.3552   78.606   14.423 -13.72361 16.71034 
1 1 1  -19    3   18 o  138.561   5.5961  195.931   15.468 -13.96510 11.19221 
1 1 1  -19    3   19 o   49.571   12.113   24.334   15.176 13.61283 24.22657 
1 1 1  -19    3   20 o   97.988   10.518   99.048   20.613      ?      ? 
1 1 1  -19    3   21 o   96.613   7.7952   97.195   14.914 9.052322 15.59045 
1 1 1  -19    3   22 o  135.489   7.5653  192.459   20.500      ?      ? 
1 1 1  -19    4    2 o  125.914   9.1701  159.836   23.093      ?      ? 
1 1 1  -19    4    3 o  142.250   8.6292  204.023   24.550      ?      ? 
1 1 1  -19    4    4 o  242.240   6.4494  590.380   31.246      ?      ? 
1 1 1  -19    4    5 o  171.431   5.1529  282.970   17.192 52.62662 10.30574 
1 1 1  -19    4    6 o  153.001   5.4021  238.550   16.472 -5.282028 10.80420 
1 1 1  -19    4    7 o  106.816   10.611  117.718   22.668      ?      ? 
1 1 1  -19    4    8 o   53.079   17.856   29.841   22.434      ?      ? 
1 1 1  -19    4    9 f  125.858   6.2104  162.129   15.624 1.215752 12.42077 
1 1 1  -19    4   10 o  113.332   6.3896  131.285   14.464 0.5810471 12.77915 
1 1 1  -19    4   11 o   67.086   10.847   48.993   14.266 7.347099 21.69397 
1 1 1  -19    4   12 o  178.982   4.5543  323.418   16.288 8.309692 9.108666 
1 1 1  -19    4   13 o   36.099   10.811   0.6079   14.161 10.52618 21.62181 
1 1 1  -19    4   14 o  177.714   4.4730  319.150   15.892 -3.768051 8.945926 
1 1 1  -19    4   15 o  165.832   4.7551  278.669   15.753 -1.589783 9.510232 
1 1 1  -19    4   16 o   73.670   9.9826   59.161   14.170 0.7429657 19.96523 
1 1 1  -19    4   17 o   87.208   8.2268   79.819   14.236 12.78698 16.45360 
1 1 1  -19    4   18 o   41.667   11.578   13.038   14.124 2.727074 23.15647 
1 1 1  -19    4   19 f  140.480   5.4718  200.552   15.320 16.55093 10.94360 
1 1 1  -19    4   20 f   70.473   10.302   53.200   14.321 22.20387 20.60437 
1 1 1  -19    4   21 o   56.935   16.922   35.785   20.662      ?      ? 
1 1 1  -19    4   22 o   25.670   12.481   24.111   20.353      ?      ? 
1 1 1  -19    5    2 o  134.844   8.9262  183.729   24.073      ?      ? 
1 1 1  -19    5    3 o  107.635   11.536  118.416   24.835      ?      ? 
1 1 1  -19    5    4 o  144.636   8.5539  212.684   24.744      ?      ? 
1 1 1  -19    5    5 o  116.956   6.9557  140.620   16.212 12.74728 13.91132 
1 1 1  -19    5    6 o  157.264   7.7206  251.530   24.283      ?      ? 
1 1 1  -19    5    7 o   53.873   17.644   31.152   21.904      ?      ? 
1 1 1  -19    5    8 o   91.389   8.1888   86.985   14.956 -3.317932 16.37752 
1 1 1  -19    5    9 o  184.404   4.5375  344.780   16.705 7.225616 9.074941 
1 1 1  -19    5   10 o  227.619   3.9819  521.840   18.118 -2.989883 7.963777 
1 1 1  -19    5   11 o  109.576   6.5762  122.203   14.383 -8.625816 13.15234 
1 1 1  -19    5   12 o  107.134   6.8850  117.724   14.668 15.10088 13.77004 
1 1 1  -19    5   13 o  178.520   4.5216  322.590   16.126 7.748306 9.043150 
1 1 1  -19    5   14 o  266.856   3.9028  716.510   20.796 9.514069 7.805589 
1 1 1  -19    5   15 o  190.659   4.2372  368.232   16.119 -5.851776 8.474313 
1 1 1  -19    5   16 o   58.872   11.306   39.031   13.947 -13.74622 22.61171 
1 1 1  -19    5   17 o  240.232   3.9587  583.779   18.994 -3.106476 7.917428 
1 1 1  -19    5   18 o  170.769   4.7469  296.269   16.175 -4.858765 9.493861 
1 1 1  -19    5   19 o  118.080   6.2479  143.066   14.742 -5.761696 12.49583 
1 1 1  -19    5   20 o   80.631   8.9339   67.719   14.388 -1.815735 17.86780 
1 1 1  -19    5   21 o   73.685   9.9933   59.287   14.325 -12.49377 19.98652 
1 1 1  -19    6    2 o  154.670   8.5232  243.131   26.366      ?      ? 
1 1 1  -19    6    3 o   91.974   13.002   88.371   23.917      ?      ? 
1 1 1  -19    6    4 o  155.476   7.8329  246.022   24.357      ?      ? 
1 1 1  -19    6    5 o  123.617   6.5464  156.383   16.171 2.633804 13.09276 
1 1 1  -19    6    6 o   64.184   11.531   46.213   14.897 -8.220776 23.06208 
1 1 1  -19    6    7 o   40.367   10.607  -0.5634   14.512 -29.34518 21.21363 
1 1 1  -19    6    8 o  134.522   7.9054  184.422   21.269      ?      ? 
1 1 1  -19    6    9 o  254.768   5.6386  654.490   28.731      ?      ? 
1 1 1  -19    6   10 o  153.208   5.0453  237.581   15.430 -9.625381 10.09067 
1 1 1  -19    6   11 o   91.548   8.2850   87.566   14.175 34.60482 16.57009 
1 1 1  -19    6   12 o  182.542   4.3464  337.378   15.858 4.964645 8.692862 
1 1 1  -19    6   13 o   72.955   9.9084   58.636   13.965 -29.93505 19.81684 
1 1 1  -19    6   14 f   70.552   10.026   55.016   13.842 -29.38969 20.05115 
1 1 1  -19    6   15 o   99.167   7.0036  101.681   13.823 -10.40330 14.00725 
1 1 1  -19    6   16 f  122.773   5.7734  154.993   14.071 -13.59801 11.54688 
1 1 1  -19    6   17 o   93.112   7.6936   90.953   14.181 -6.100052 15.38722 
1 1 1  -19    6   18 o  101.704   7.2977  107.739   14.683 -8.333557 14.59538 
1 1 1  -19    6   19 o   55.104   11.757   33.583   14.165 -7.419201 23.51450 
1 1 1  -19    6   20 o  101.017   7.0162  104.730   14.158 5.203644 14.03243 
1 1 1  -19    6   21 o   31.308   10.028  -7.2941   13.505 0.2271652 20.05583 
1 1 1  -19    7    1 o   94.467   12.129   93.006   22.915      ?      ? 
1 1 1  -19    7    2 o   99.942   12.011  104.071   24.007      ?      ? 
1 1 1  -19    7    4 o  145.211   8.4387  215.052   24.508      ?      ? 
1 1 1  -19    7    5 f  127.226   6.0134  164.662   15.238 16.31434 12.02679 
1 1 1  -19    7    6 o  148.654   7.2691  224.517   21.612      ?      ? 
1 1 1  -19    7    7 o  151.002   7.3804  231.820   22.289      ?      ? 
1 1 1  -19    7    8 o  214.574   4.1729  464.735   17.908 0.6365509 8.345881 
1 1 1  -19    7    9 o  111.478   6.6537  126.759   14.814 2.353310 13.30734 
1 1 1  -19    7   10 o  134.084   5.4845  182.084   14.687 2.181900 10.96899 
1 1 1  -19    7   11 o   51.770   11.384   28.899   13.268 10.17742 22.76764 
1 1 1  -19    7   12 o   73.727   9.2037   58.228   13.280 -2.706902 18.40737 
1 1 1  -19    7   13 o  173.273   4.4041  303.478   15.259 -1.643936 8.808193 
1 1 1  -19    7   14 o  224.141   3.9527  506.755   17.709 -8.563461 7.905423 
1 1 1  -19    7   15 o   35.801   10.733   1.7415   13.585 -6.441868 21.46553 
1 1 1  -19    7   16 o   93.116   7.4494   90.500   13.756 -13.52353 14.89879 
1 1 1  -19    7   17 o   91.159   8.0086   86.777   14.383 20.42603 16.01726 
1 1 1  -19    7   18 o   43.211   11.463   13.837   14.390 15.32556 22.92628 
1 1 1  -19    7   19 o  119.159   6.2803  145.006   14.962 -0.7432327 12.56063 
1 1 1  -19    7   20 o   74.478   9.7657   60.136   14.072 -18.39697 19.53138 
1 1 1  -19    7   21 o   86.024   11.534   87.712   19.844      ?      ? 
1 1 1  -19    8    2 o  102.263   10.323  107.695   21.114      ?      ? 
1 1 1  -19    8    3 o   91.320   11.164   86.361   20.390      ?      ? 
1 1 1  -19    8    4 o  164.245   7.0343  273.734   23.107      ?      ? 
1 1 1  -19    8    5 o  170.106   6.4424  293.071   21.918      ?      ? 
1 1 1  -19    8    6 o  122.367   6.1117  154.368   14.812 -17.11890 12.22340 
1 1 1  -19    8    7 o  217.339   5.7994  476.542   25.209      ?      ? 
1 1 1  -19    8    8 o  214.922   5.9066  465.386   25.389      ?      ? 
1 1 1  -19    8    9 o  126.681   8.3865  162.717   21.248      ?      ? 
1 1 1  -19    8   10 o   93.076   11.001   89.524   20.479      ?      ? 
1 1 1  -19    8   11 o   60.986   10.903   42.063   13.352 -6.916866 21.80672 
1 1 1  -19    8   12 o   87.644   7.7859   79.520   13.605 -7.747772 15.57172 
1 1 1  -19    8   13 o   55.847   11.347   34.587   13.339 0.1747055 22.69447 
1 1 1  -19    8   14 o  129.499   5.4273  170.777   14.051 -2.458511 10.85457 
1 1 1  -19    8   15 o   67.420   10.284   50.129   13.461 4.575600 20.56864 
1 1 1  -19    8   16 o   45.239   11.600   19.925   13.599 -3.064842 23.19949 
1 1 1  -19    8   17 o  159.168   4.8193  255.826   15.298 9.074646 9.638641 
1 1 1  -19    8   18 o  136.808   5.3521  190.479   14.641 4.028366 10.70420 
1 1 1  -19    8   19 o   84.445   8.1402   73.725   13.746 1.267952 16.28042 
1 1 1  -19    8   20 o  104.921   6.3651  113.164   13.331 0.7243729 12.73028 
1 1 1  -19    9    1 o  131.293   7.8849  175.614   20.705      ?      ? 
1 1 1  -19    9    3 f  174.920   6.5622  310.049   22.957      ?      ? 
1 1 1  -19    9    4 o  162.008   6.8427  266.181   22.171      ?      ? 
1 1 1  -19    9    5 o  200.493   6.0119  406.029   24.107      ?      ? 
1 1 1  -19    9    6 o  122.690   8.8992  153.416   21.837      ?      ? 
1 1 1  -19    9    7 o  174.173   4.6012  304.183   15.980 15.39804 9.202451 
1 1 1  -19    9    8 o  163.539   4.8606  269.355   15.838 19.88280 9.721189 
1 1 1  -19    9    9 o  253.978   5.5778  650.657   28.333      ?      ? 
1 1 1  -19    9   10 o  145.431   7.4942  215.829   21.798      ?      ? 
1 1 1  -19    9   11 o  125.016   5.6836  157.915   14.149 9.871696 11.36729 
1 1 1  -19    9   12 o  141.759   5.1541  203.940   14.578 1.531036 10.30828 
1 1 1  -19    9   13 o  108.662   6.5228  121.271   14.115 -1.122009 13.04562 
1 1 1  -19    9   14 f  155.441   4.8034  245.437   14.901 -4.404144 9.606874 
1 1 1  -19    9   15 o   52.706   11.721   30.725   13.802 -3.103214 23.44161 
1 1 1  -19    9   16 o  142.187   7.4738  205.820   21.253      ?      ? 
1 1 1  -19    9   17 o   46.958   16.626   22.080   19.585      ?      ? 
1 1 1  -19    9   18 o  131.548   8.1240  176.099   21.374      ?      ? 
1 1 1  -19    9   19 o  245.807   5.5968  609.398   27.515      ?      ? 
1 1 1  -19    9   20 o   78.487   11.196   68.362   17.576      ?      ? 
1 1 1  -19   10    1 o  164.428   6.4313  273.619   21.150      ?      ? 
1 1 1  -19   10    2 o  190.800   6.0432  367.781   23.061      ?      ? 
1 1 1  -19   10    4 o  151.934   7.0870  233.607   21.535      ?      ? 
1 1 1  -19   10    5 o  117.956   8.1564  141.093   19.242      ?      ? 
1 1 1  -19   10    6 o  136.854   7.4089  189.313   20.279      ?      ? 
1 1 1  -19   10    7 o  103.275   9.7132  108.870   20.063      ?      ? 
1 1 1  -19   10    8 o   72.146   14.290   56.992   19.886      ?      ? 
1 1 1  -19   10    9 o   38.308   10.925   6.3345   13.705 -12.09084 21.84912 
1 1 1  -19   10   10 o   63.527   15.526   44.640   19.586      ?      ? 
1 1 1  -19   10   11 o  155.259   4.6687  243.282   14.459 7.005951 9.337409 
1 1 1  -19   10   12 f  161.866   4.5999  263.289   14.816 12.80594 9.199701 
1 1 1  -19   10   13 o  124.604   5.7156  158.367   14.185 -0.2427292 11.43112 
1 1 1  -19   10   14 o   34.967   10.656   0.7616   13.594 -1.732750 21.31214 
1 1 1  -19   10   15 o  139.662   5.3508  198.623   14.921 2.711929 10.70166 
1 1 1  -19   10   16 o   85.323   8.5940   76.191   14.560 -0.7017059 17.18810 
1 1 1  -19   10   17 o  219.960   4.1322  489.221   18.153 -5.041260 8.264370 
1 1 1  -19   10   18 o  113.812   6.5867  132.669   14.800 23.68490 13.17330 
1 1 1  -19   10   19 o   49.505   11.711   26.299   13.705 4.743221 23.42203 
1 1 1  -19   11    1 o  204.557   5.8293  421.513   23.849      ?      ? 
1 1 1  -19   11    2 o  207.887   5.8875  435.284   24.479      ?      ? 
1 1 1  -19   11    4 o  178.980   6.1646  322.741   22.067      ?      ? 
1 1 1  -19   11    5 o  157.592   6.4472  250.605   20.321      ?      ? 
1 1 1  -19   11    6 o  116.631   8.1255  138.562   18.954      ?      ? 
1 1 1  -19   11    7 o   47.278   16.262   23.388   18.620      ?      ? 
1 1 1  -19   11    8 o   60.050   15.709   40.316   19.082      ?      ? 
1 1 1  -19   11    9 o   62.699   15.429   43.410   19.242      ?      ? 
1 1 1  -19   11   10 o   76.272   9.2187   62.813   13.504 -18.10372 18.43739 
1 1 1  -19   11   11 o   51.287   11.663   28.426   13.554 -0.4513245 23.32622 
1 1 1  -19   11   12 o   63.021   10.827   43.526   13.470 8.798866 21.65310 
1 1 1  -19   11   13 o  168.661   4.5263  288.324   15.197 0.2155914 9.052686 
1 1 1  -19   11   14 o  179.045   4.4579  326.817   15.835 -9.683746 8.915819 
1 1 1  -19   11   15 o  111.685   6.5970  125.861   14.603 15.32979 13.19401 
1 1 1  -19   11   16 o   72.093   14.514   57.097   20.192      ?      ? 
1 1 1  -19   11   17 o  156.064   6.8106  246.436   21.258      ?      ? 
1 1 1  -19   11   18 o   90.744   11.074   85.342   20.098      ?      ? 
1 1 1  -19   11   19 o   24.851   12.149   17.553   20.103      ?      ? 
1 1 1  -19   12    1 o  102.183   10.003  106.706   20.443      ?      ? 
1 1 1  -19   12    2 o  122.720   8.5443  153.195   20.971      ?      ? 
1 1 1  -19   12    3 o  163.907   6.6819  271.886   21.904      ?      ? 
1 1 1  -19   12    4 o   88.411   11.080   81.289   19.591      ?      ? 
1 1 1  -19   12    5 o  115.598   8.3931  137.099   19.405      ?      ? 
1 1 1  -19   12    6 o  136.414   7.2031  189.287   19.652      ?      ? 
1 1 1  -19   12    7 o   89.742   10.715   83.107   19.233      ?      ? 
1 1 1  -19   12    8 o   83.947   11.643   73.147   19.548      ?      ? 
1 1 1  -19   12    9 o   65.260   15.126   47.226   19.373      ?      ? 
1 1 1  -19   12   10 o   79.452   12.474   66.143   19.822      ?      ? 
1 1 1  -19   12   11 o   66.118   10.387   48.783   13.268 -6.730808 20.77304 
1 1 1  -19   12   12 f  156.161   7.0299  247.956   21.956      ?      ? 
1 1 1  -19   12   13 o   55.574   11.526   33.510   13.795 14.52314 23.05154 
1 1 1  -19   12   14 o  167.163   4.7420  283.153   15.723 0.4140625 9.484027 
1 1 1  -19   12   15 o  139.115   5.3430  198.499   14.757 -14.30304 10.68607 
1 1 1  -19   12   16 o   87.510   11.100   79.023   19.427      ?      ? 
1 1 1  -19   12   17 o   55.248   16.079   33.533   18.834      ?      ? 
1 1 1  -19   12   18 o   88.949   11.506   86.543   20.469      ?      ? 
1 1 1  -19   13    3 o   79.117   11.818   65.470   18.700      ?      ? 
1 1 1  -19   13    4 f  129.471   7.3618  170.299   19.063      ?      ? 
1 1 1  -19   13    5 o   78.648   11.676   64.154   18.366      ?      ? 
1 1 1  -19   13    6 o  103.055   9.1720  108.709   18.904      ?      ? 
1 1 1  -19   13    7 o  153.808   6.7271  239.853   20.694      ?      ? 
1 1 1  -19   13    8 o  175.428   6.1752  311.413   21.666      ?      ? 
1 1 1  -19   13    9 o  158.989   6.6251  256.138   21.066      ?      ? 
1 1 1  -19   13   10 o   64.697   15.401   46.619   19.668      ?      ? 
1 1 1  -19   13   11 o   68.387   10.112   51.680   13.580 -12.83699 20.22460 
1 1 1  -19   13   12 o  156.979   4.7434  249.906   14.868 3.270096 9.486879 
1 1 1  -19   13   13 o   90.245   11.814   84.948   21.324      ?      ? 
1 1 1  -19   13   14 o  110.459   9.9043  125.907   21.881      ?      ? 
1 1 1  -19   13   15 f   94.824   7.4484   92.088   14.032 15.34114 14.89672 
1 1 1  -19   13   16 o   90.154   10.617   83.753   19.142      ?      ? 
1 1 1  -19   13   17 o   40.680   15.882   14.124   18.677      ?      ? 
1 1 1  -19   14    2 o  164.375   6.1943  273.056   20.364      ?      ? 
1 1 1  -19   14    3 o  123.506   7.6440  155.082   18.882      ?      ? 
1 1 1  -19   14    4 o  157.785   6.3255  251.962   19.961      ?      ? 
1 1 1  -19   14    5 o   95.452   9.6482   93.768   18.419      ?      ? 
1 1 1  -19   14    6 o  103.792   9.1162  110.508   18.924      ?      ? 
1 1 1  -19   14    7 o  159.499   6.4948  257.653   20.718      ?      ? 
1 1 1  -19   14    8 o  103.990   9.2487  111.013   19.235      ?      ? 
1 1 1  -19   14    9 o   79.083   12.093   65.603   19.128      ?      ? 
1 1 1  -19   14   10 o  138.447   7.3872  195.405   20.455      ?      ? 
1 1 1  -19   14   11 o   50.403   16.559   27.278   19.293      ?      ? 
1 1 1  -19   14   12 o   45.836   11.613   19.712   13.777 9.917282 23.22516 
1 1 1  -19   14   13 o   76.315   14.043   63.505   20.631      ?      ? 
1 1 1  -19   14   14 o  135.260   7.6126  185.693   20.593      ?      ? 
1 1 1  -19   14   15 o  167.563   6.3923  283.882   21.422      ?      ? 
1 1 1  -19   14   16 o  126.969   7.7550  165.690   19.693      ?      ? 
1 1 1  -19   15    1 o   97.993   9.5202   98.751   18.658      ?      ? 
1 1 1  -19   15    2 o  158.018   6.2557  252.735   19.770      ?      ? 
1 1 1  -19   15    3 o  127.787   7.3330  165.991   18.741      ?      ? 
1 1 1  -19   15    4 o  103.666   8.8610  110.026   18.372      ?      ? 
1 1 1  -19   15    5 o  120.070   7.8059  146.850   18.745      ?      ? 
1 1 1  -19   15    6 o  130.710   7.2946  173.725   19.070      ?      ? 
1 1 1  -19   15    7 o   78.341   11.592   64.147   18.163      ?      ? 
1 1 1  -19   15    8 o  130.154   7.4817  172.771   19.476      ?      ? 
1 1 1  -19   15    9 o  180.080   6.0327  328.303   21.727      ?      ? 
1 1 1  -19   15   10 o  256.552   5.4046  664.131   27.731      ?      ? 
1 1 1  -19   15   11 o  131.180   7.8052  175.483   20.478      ?      ? 
1 1 1  -19   15   12 o  190.769   4.4020  367.940   16.780 -2.021820 8.804054 
1 1 1  -19   15   13 f  147.878   6.8288  221.275   20.197      ?      ? 
1 1 1  -19   15   14 o  112.406   8.4113  128.848   18.910      ?      ? 
1 1 1  -19   15   15 f   56.947   15.548   37.830   18.201      ?      ? 
1 1 1  -19   16    1 o  145.906   6.7347  215.917   19.653      ?      ? 
1 1 1  -19   16    2 o  155.640   6.3409  245.342   19.738      ?      ? 
1 1 1  -19   16    3 o  134.801   7.0933  184.699   19.124      ?      ? 
1 1 1  -19   16    4 o   98.123   9.3410   99.128   18.331      ?      ? 
1 1 1  -19   16    5 o   53.531   15.665   31.925   17.829      ?      ? 
1 1 1  -19   16    6 o   55.381   15.343   34.325   17.567      ?      ? 
1 1 1  -19   16    7 o   90.052   10.072   83.835   18.140      ?      ? 
1 1 1  -19   16    8 o  158.044   6.3971  252.942   20.221      ?      ? 
1 1 1  -19   16    9 o  109.773   8.7462  123.449   19.202      ?      ? 
1 1 1  -19   16   10 o   67.808   14.423   50.634   18.974      ?      ? 
1 1 1  -19   16   11 o   84.783   8.6924   76.896   14.072 17.49188 17.38474 
1 1 1  -19   16   12 o  159.138   6.3491  255.879   20.208      ?      ? 
1 1 1  -19   16   13 o  103.489   8.4772  109.441   17.546      ?      ? 
1 1 1  -19   16   14 o  120.407   7.1597  151.570   17.242      ?      ? 
1 1 1  -19   17    1 o  132.892   7.3574  179.995   19.555      ?      ? 
1 1 1  -19   17    2 o  134.732   7.3424  184.960   19.785      ?      ? 
1 1 1  -19   17    3 o  169.313   6.2451  290.479   21.148      ?      ? 
1 1 1  -19   17    4 f  136.037   7.2574  188.232   19.745      ?      ? 
1 1 1  -19   17    5 o  127.488   7.4607  165.344   19.023      ?      ? 
1 1 1  -19   17    6 o   72.036   13.326   56.230   18.476      ?      ? 
1 1 1  -19   17    7 o   82.407   11.450   70.809   18.872      ?      ? 
1 1 1  -19   17    8 o  125.592   7.7517  160.712   19.471      ?      ? 
1 1 1  -19   17    9 o  133.697   7.3921  181.390   19.766      ?      ? 
1 1 1  -19   17   10 o  131.383   7.7723  175.269   20.423      ?      ? 
1 1 1  -19   17   11 o  180.664   6.1695  329.842   22.292      ?      ? 
1 1 1  -19   17   12 o   63.448   14.467   45.088   17.957      ?      ? 
1 1 1  -19   18    1 o  196.196   5.9487  389.205   23.342      ?      ? 
1 1 1  -19   18    2 o  281.859   5.4842  802.051   30.916      ?      ? 
1 1 1  -19   18    3 o  202.398   5.7854  414.100   23.419      ?      ? 
1 1 1  -19   18    4 o  178.436   6.1049  322.278   21.787      ?      ? 
1 1 1  -19   18    5 o  136.982   7.3200  190.789   20.054      ?      ? 
1 1 1  -19   18    6 o  188.788   5.9208  359.943   22.355      ?      ? 
1 1 1  -19   18    7 f  155.908   6.7597  245.940   21.078      ?      ? 
1 1 1  -19   18    8 o  132.300   7.6540  177.661   20.252      ?      ? 
1 1 1  -19   18    9 o  122.291   8.1263  152.295   19.876      ?      ? 
1 1 1  -19   18   10 o  120.650   8.2630  149.141   19.938      ?      ? 
1 1 1  -19   18   11 o   36.065   15.337   13.609   19.366      ?      ? 
1 1 1  -19   19    1 o  187.739   6.1430  356.063   23.066      ?      ? 
1 1 1  -19   19    2 o  169.015   6.3803  288.732   21.567      ?      ? 
1 1 1  -19   19    3 o  201.923   5.6714  411.102   22.904      ?      ? 
1 1 1  -19   19    4 f  237.452   5.3757  567.977   25.529      ?      ? 
1 1 1  -19   19    5 o  166.882   6.3152  281.363   21.078      ?      ? 
1 1 1  -19   19    6 f  134.316   7.7779  183.380   20.894      ?      ? 
1 1 1  -19   19    7 o  128.320   8.9680  168.721   23.015      ?      ? 
1 1 1  -19   19    8 o  196.891   6.7678  395.436   26.650      ?      ? 
1 1 1  -19   19    9 o   29.545   14.083   6.6822   22.810      ?      ? 
1 1 1  -19   20    1 o  151.646   7.1517  233.348   21.691      ?      ? 
1 1 1  -19   20    2 o  196.793   5.9934  391.425   23.589      ?      ? 
1 1 1  -19   20    3 o  153.931   6.7768  240.452   20.863      ?      ? 
1 1 1  -19   20    4 o  134.418   7.1674  184.197   19.268      ?      ? 
1 1 1  -19   20    5 o   92.709   9.6973   90.450   17.981      ?      ? 
1 1 1  -19   20    6 o   95.942   10.503  114.324   20.154      ?      ? 
1 1 1  -18    0    4 o   51.536   19.954   37.374   19.457 -0.000000 0.000000 
1 1 1  -18    0    5 o  135.704   7.0222  186.504   18.951 -0.000000 0.000000 
1 1 1  -18    0    6 o   29.051   17.664   9.0122   18.768 -0.000000 0.000000 
1 1 1  -18    0    7 o   29.622   17.687   10.531   18.138 -0.000000 0.000000 
1 1 1  -18    0    8 o   81.613   12.040   70.274   18.863 -0.000000 0.000000 
1 1 1  -18    0    9 o   25.108   16.305   0.9508   18.956 -0.000000 0.000000 
1 1 1  -18    0   10 o   44.425   20.182   30.910   19.256 -0.000000 0.000000 
1 1 1  -18    0   11 o  151.944   7.4162  233.453   22.422 -0.000000 0.000000 
1 1 1  -18    0   12 o  248.479   5.8906  619.464   29.237 -0.000000 0.000000 
1 1 1  -18    0   13 o  211.230   6.1317  449.174   25.856 -0.000000 0.000000 
1 1 1  -18    0   14 o  215.856   5.7938  469.124   24.972 -0.000000 0.000000 
1 1 1  -18    0   15 o  193.044   5.9158  375.716   22.793 -0.000000 0.000000 
1 1 1  -18    0   16 o  153.120   6.8634  237.189   20.928 -0.000000 0.000000 
1 1 1  -18    0   17 o  167.199   6.5143  282.073   21.712 -0.000000 0.000000 
1 1 1  -18    0   18 o   82.117   12.438   72.267   19.451 -0.000000 0.000000 
1 1 1  -18    0   19 o   33.516   19.060   16.240   19.600 -0.000000 0.000000 
1 1 1  -18    0   20 f   19.967   14.022 -17.1812   20.132 -0.000000 0.000000 
1 1 1  -18    0   21 o  117.561   8.9296  142.424   20.755 -0.000000 0.000000 
1 1 1  -18    0   22 o  147.795   7.3494  221.889   21.610 -0.000000 0.000000 
1 1 1  -18    0   23 o   43.078   20.424   28.851   19.841 -0.000000 0.000000 
1 1 1  -18    0   24 f  107.707   9.6342  120.139   20.439 -0.000000 0.000000 
1 1 1  -18    1    4 o  187.584   4.2100  354.696   15.791 -4.330414 8.419984 
1 1 1  -18    1    5 o  166.172   4.3097  278.184   14.307 -10.03313 8.619317 
1 1 1  -18    1    6 o  172.961   4.4059  301.495   15.235 -6.271179 8.811882 
1 1 1  -18    1    7 o   77.288   8.7317   63.253   12.946 16.71973 17.46344 
1 1 1  -18    1    8 o   55.171   11.247   32.651   13.149 -7.481033 22.49311 
1 1 1  -18    1    9 o   72.974   9.3380   56.035   13.215 -18.26354 18.67608 
1 1 1  -18    1   10 o  114.187   5.9567  134.597   13.576 -10.14443 11.91332 
1 1 1  -18    1   11 o  133.263   5.6243  179.272   14.981 3.436813 11.24854 
1 1 1  -18    1   12 o  168.811   4.9125  286.774   16.498 -21.89708 9.824938 
1 1 1  -18    1   13 o  160.249   5.0522  260.394   16.151 -11.98697 10.10447 
1 1 1  -18    1   14 o  258.425   3.9001  673.669   20.153 -4.121857 7.800251 
1 1 1  -18    1   15 o   51.913   11.325   28.279   13.977 -20.98599 22.65009 
1 1 1  -18    1   16 o  216.389   4.0526  471.928   17.530 -0.5170898 8.105174 
1 1 1  -18    1   17 o  307.906   3.9715  954.557   24.453 -7.345612 7.943014 
1 1 1  -18    1   18 o  236.234   3.9378  564.031   18.595 1.348663 7.875676 
1 1 1  -18    1   19 o  127.180   5.7940  164.734   14.730 2.976730 11.58804 
1 1 1  -18    1   20 o  112.186   6.6175  129.517   14.770 13.85765 13.23498 
1 1 1  -18    1   21 o   28.662   9.5486 -19.5014   14.197 -2.696041 19.09725 
1 1 1  -18    1   22 o  178.222   4.6675  322.659   16.597 12.13564 9.334929 
1 1 1  -18    1   23 o   52.137   12.026   28.123   14.840 -14.85063 24.05155 
1 1 1  -18    1   24 o   81.473   9.1128   69.210   14.840 -3.677841 18.22554 
1 1 1  -18    2    4 o  174.768   6.2696  307.905   21.914      ?      ? 
1 1 1  -18    2    5 o  222.062   3.8298  495.223   16.996 7.775055 7.659643 
1 1 1  -18    2    6 o  137.622   7.5294  191.557   20.724      ?      ? 
1 1 1  -18    2    7 o  151.299   4.6256  231.058   13.992 -3.994904 9.251275 
1 1 1  -18    2    8 o  173.143   4.3949  300.736   15.182 -15.06886 8.789716 
1 1 1  -18    2    9 o  104.882   6.4655  111.944   13.472 -4.946991 12.93109 
1 1 1  -18    2   10 o  124.347   5.4537  157.967   13.532 -8.646820 10.90743 
1 1 1  -18    2   11 o  180.824   4.4392  329.527   15.949 25.35150 8.878404 
1 1 1  -18    2   12 o  163.778   4.7075  268.983   15.405 -6.474167 9.415051 
1 1 1  -18    2   13 o   99.586   7.1796  102.624   14.135 16.80511 14.35914 
1 1 1  -18    2   14 f  193.924   4.1826  379.831   16.216 -6.277908 8.365270 
1 1 1  -18    2   15 o  224.676   3.9698  509.833   17.833 -3.292877 7.939643 
1 1 1  -18    2   16 o  193.691   4.2075  377.100   16.264 7.941406 8.414984 
1 1 1  -18    2   17 o  193.337   4.3193  376.895   16.691 1.290298 8.638535 
1 1 1  -18    2   18 f  109.423   6.8419  123.958   14.889 -12.92404 13.68378 
1 1 1  -18    2   19 o  117.734   6.5188  142.273   15.317 8.721085 13.03758 
1 1 1  -18    2   20 o  120.525   6.4775  149.545   15.529 6.101471 12.95494 
1 1 1  -18    2   21 o   66.945   11.334   49.956   15.168 -19.38193 22.66707 
1 1 1  -18    2   22 o  172.264   4.8733  299.487   16.741 -12.47632 9.746685 
1 1 1  -18    2   23 o   55.904   12.267   34.613   15.181 3.897778 24.53480 
1 1 1  -18    2   24 f   69.661   11.226   54.033   15.331 10.25692 22.45221 
1 1 1  -18    3    3 o  106.436   9.7231  115.558   20.698      ?      ? 
1 1 1  -18    3    4 o  140.457   7.1586  199.237   20.109      ?      ? 
1 1 1  -18    3    5 o  169.753   4.5336  290.635   15.377 -2.631241 9.067163 
1 1 1  -18    3    6 o  132.267   5.3689  177.013   14.199 1.096176 10.73788 
1 1 1  -18    3    7 o  204.093   4.0248  418.656   16.413 7.486786 8.049617 
1 1 1  -18    3    8 o  240.943   5.4633  584.239   26.327      ?      ? 
1 1 1  -18    3    9 o  127.397   5.5395  165.700   14.102 -7.338074 11.07910 
1 1 1  -18    3   10 o  155.697   4.7945  245.474   14.916 5.730011 9.588928 
1 1 1  -18    3   11 o  233.010   4.0785  532.964   18.772 49.15852 8.157076 
1 1 1  -18    3   12 o  204.064   4.1747  418.349   17.004 16.88725 8.349497 
1 1 1  -18    3   13 o   31.727   10.131  -9.1234   13.886 4.390755 20.26264 
1 1 1  -18    3   14 o  161.030   4.7794  262.438   15.381 -3.426117 9.558883 
1 1 1  -18    3   15 o   30.457   9.8956 -14.1254   13.993 -6.783167 19.79127 
1 1 1  -18    3   16 o   99.219   7.3970  101.782   14.471 18.12587 14.79392 
1 1 1  -18    3   17 o  148.503   5.1988  223.546   15.435 -5.847626 10.39750 
1 1 1  -18    3   18 o  113.363   6.6338  132.187   15.012 -7.034401 13.26756 
1 1 1  -18    3   19 o  144.927   5.3800  213.262   15.576 7.830322 10.75994 
1 1 1  -18    3   20 o   50.992   12.024   26.890   14.734 11.90692 24.04832 
1 1 1  -18    3   21 o  139.768   5.6311  199.582   15.734 3.596024 11.26224 
1 1 1  -18    3   22 o   92.225   8.0453   88.352   14.827 5.298920 16.09052 
1 1 1  -18    3   23 o   70.708   10.330   54.426   14.379 17.43367 20.66073 
1 1 1  -18    3   24 o   83.812   8.6579   72.863   14.481 7.252853 17.31585 
1 1 1  -18    4    3 o   82.491   12.016   69.945   19.825      ?      ? 
1 1 1  -18    4    4 o   85.695   11.662   75.370   19.987      ?      ? 
1 1 1  -18    4    5 o   92.594   7.5260   87.930   13.802 16.44490 15.05206 
1 1 1  -18    4    6 o  205.022   3.9970  422.845   16.382 5.422638 7.993902 
1 1 1  -18    4    7 o  131.147   5.6844  174.440   14.886 8.709373 11.36873 
1 1 1  -18    4    8 o  132.646   5.3691  178.007   14.205 -4.741455 10.73816 
1 1 1  -18    4    9 f  106.090   6.7158  117.346   14.250 -0.1927338 13.43157 
1 1 1  -18    4   10 o   70.567   10.401   51.663   14.760 38.97545 20.80269 
1 1 1  -18    4   11 o  215.223   4.7021  440.736   18.868 -111.7085 9.404177 
1 1 1  -18    4   12 o  113.283   6.9889  129.239   15.745 16.36832 13.97776 
1 1 1  -18    4   13 o   99.393   7.9069  101.978   15.685 5.832848 15.81372 
1 1 1  -18    4   14 o   57.772   11.896   37.205   14.564 -2.003403 23.79130 
1 1 1  -18    4   15 o   37.852   11.002   4.1442   13.963 10.89614 22.00323 
1 1 1  -18    4   16 o  126.556   5.8753  163.345   14.628 -28.53667 11.75068 
1 1 1  -18    4   17 o   24.030   8.3440 -37.9566   13.925 -0.3998852 16.68801 
1 1 1  -18    4   18 o  123.337   5.9615  155.250   14.685 -2.202415 11.92307 
1 1 1  -18    4   19 o  137.206   5.4238  192.103   14.852 -6.355576 10.84758 
1 1 1  -18    4   20 o  112.401   6.5681  129.141   14.732 8.454033 13.13620 
1 1 1  -18    4   21 o   98.270   7.7207  101.191   15.056 -5.841499 15.44148 
1 1 1  -18    4   22 o   96.705   7.7199   96.653   14.835 15.34039 15.43984 
1 1 1  -18    4   23 o  113.309   6.5034  131.318   14.734 -1.625740 13.00689 
1 1 1  -18    4   24 f   57.972   11.758   37.425   14.321 -0.9984932 23.51693 
1 1 1  -18    5    2 o  138.649   7.6718  194.407   21.274      ?      ? 
1 1 1  -18    5    3 o  195.629   6.1589  385.556   24.097      ?      ? 
1 1 1  -18    5    4 o  245.026   5.6643  604.342   27.758      ?      ? 
1 1 1  -18    5    5 o  305.025   3.9303  934.594   23.947 11.83057 7.860688 
1 1 1  -18    5    6 o  165.802   4.7928  276.954   15.877 9.243622 9.585676 
1 1 1  -18    5    7 o   96.159   7.2305   94.370   13.786 -17.34549 14.46099 
1 1 1  -18    5    8 o   42.640   11.291   14.823   13.669 -12.94142 22.58154 
1 1 1  -18    5    9 o   90.156   11.447   84.727   20.640      ?      ? 
1 1 1  -18    5   10 o  119.745   6.2687  142.787   14.684 35.04776 12.53742 
1 1 1  -18    5   11 o  245.242   4.0538  606.522   19.782 -17.77831 8.107555 
1 1 1  -18    5   12 o   59.193   12.073   39.371   15.376 -11.67968 24.14515 
1 1 1  -18    5   13 o  108.488   7.0917  119.845   15.295 9.108459 14.18336 
1 1 1  -18    5   14 o   85.945   8.6660   76.966   14.111 29.73366 17.33199 
1 1 1  -18    5   15 o  101.118   7.1393  106.569   14.102 -24.20792 14.27851 
1 1 1  -18    5   16 o  124.881   5.9375  159.297   14.686 -19.19428 11.87501 
1 1 1  -18    5   17 o  146.639   5.1644  220.296   15.070 -11.83315 10.32878 
1 1 1  -18    5   18 o  130.555   5.6807  173.225   14.822 6.422226 11.36148 
1 1 1  -18    5   19 o   27.059   9.1212 -23.6153   13.802 -1.363144 18.24247 
1 1 1  -18    5   20 o   37.978   11.211   5.5362   14.220 2.667023 22.42290 
1 1 1  -18    5   21 o   86.970   8.6464   79.286   15.020 4.919739 17.29282 
1 1 1  -18    5   22 o   87.071   8.6539   79.147   14.995 12.24715 17.30775 
1 1 1  -18    5   23 o  112.917   6.7057  129.954   15.054 17.19130 13.41139 
1 1 1  -18    5   24 o   35.309   10.747  -4.5164   14.567 13.88592 21.49306 
1 1 1  -18    6    2 o  259.012   5.6401  675.257   29.217      ?      ? 
1 1 1  -18    6    3 o  224.147   5.7969  505.978   25.987      ?      ? 
1 1 1  -18    6    4 o  165.126   6.7728  275.294   22.367      ?      ? 
1 1 1  -18    6    5 o  173.155   6.7635  302.646   23.423      ?      ? 
1 1 1  -18    6    6 o  207.951   4.0104  433.577   16.630 11.60249 8.020732 
1 1 1  -18    6    7 o  160.913   4.6242  263.425   14.831 -6.589294 9.248325 
1 1 1  -18    6    8 o   37.936   15.798   6.9429   19.860      ?      ? 
1 1 1  -18    6    9 o  172.175   4.4886  293.242   15.311 31.89229 8.977226 
1 1 1  -18    6   10 o  194.451   4.3193  375.918   16.696 15.72751 8.638554 
1 1 1  -18    6   11 o   77.994   9.7431   64.019   14.590 -3.532860 19.48628 
1 1 1  -18    6   12 o  111.161   6.8233  127.118   15.108 -2.564758 13.64666 
1 1 1  -18    6   13 o  121.128   6.1066  149.410   14.757 5.255806 12.21322 
1 1 1  -18    6   14 o   41.082   11.403   10.543   14.094 10.77839 22.80613 
1 1 1  -18    6   15 o  202.102   4.1783  411.793   16.874 -7.729416 8.356678 
1 1 1  -18    6   16 o   87.748   8.3049   79.371   14.541 4.919327 16.60978 
1 1 1  -18    6   17 o  191.066   4.3406  368.634   16.485 3.719315 8.681235 
1 1 1  -18    6   18 o   34.904   10.631  -2.7863   13.855 11.02511 21.26184 
1 1 1  -18    6   19 o   54.159   11.717   32.273   13.873 -2.319595 23.43447 
1 1 1  -18    6   20 o   32.239   10.282  -7.3969   14.051 -0.5615196 20.56329 
1 1 1  -18    6   21 o   53.759   12.090   31.661   14.634 -2.730091 24.17942 
1 1 1  -18    6   22 o   52.123   12.003   28.926   14.506 9.126526 24.00674 
1 1 1  -18    6   23 o  105.840   7.0933  114.196   14.955 7.202202 14.18665 
1 1 1  -18    6   24 o   46.262   11.915   22.103   14.364 9.399944 23.82907 
1 1 1  -18    7    2 o  116.565   8.9203  138.133   20.796      ?      ? 
1 1 1  -18    7    3 o  129.958   8.4842  171.394   22.052      ?      ? 
1 1 1  -18    7    4 o  215.688   6.0819  468.797   26.236      ?      ? 
1 1 1  -18    7    5 o  196.107   6.4852  388.459   25.436      ?      ? 
1 1 1  -18    7    6 o   86.237   8.8123   81.076   14.408 -12.89415 17.62466 
1 1 1  -18    7    7 o   27.325   13.125 -26.1719   20.811      ?      ? 
1 1 1  -18    7    8 o   78.513   9.5565   62.656   14.469 21.47930 19.11303 
1 1 1  -18    7    9 o  148.001   7.8977  220.286   23.377      ?      ? 
1 1 1  -18    7   10 o  253.084   5.7459  643.312   29.084      ?      ? 
1 1 1  -18    7   11 o   46.527   9.8095   14.555   14.076 -38.01217 19.61906 
1 1 1  -18    7   12 o   67.751   10.949   49.817   14.494 13.84817 21.89813 
1 1 1  -18    7   13 o   31.558   10.046  -9.2243   13.810 -5.619299 20.09257 
1 1 1  -18    7   14 o  109.350   6.5434  122.350   14.253 -2.483948 13.08682 
1 1 1  -18    7   15 o  141.652   5.1285  201.458   14.452 20.61925 10.25691 
1 1 1  -18    7   16 o   48.368   10.903   21.792   14.039 -27.48522 21.80520 
1 1 1  -18    7   17 o  211.902   4.0917  450.694   17.247 10.26814 8.183410 
1 1 1  -18    7   18 o   31.485   10.101  -8.6971   13.726 1.105728 20.20293 
1 1 1  -18    7   19 o   82.821   8.5310   71.296   14.092 6.788216 17.06192 
1 1 1  -18    7   20 o   44.567   11.833   17.390   14.331 7.757504 23.66516 
1 1 1  -18    7   21 o  104.460   7.1447  113.185   14.837 -8.218498 14.28947 
1 1 1  -18    7   22 o   80.009   9.1735   68.077   14.301 -6.811996 18.34694 
1 1 1  -18    7   23 o   71.402   10.256   56.342   14.223 -15.82706 20.51243 
1 1 1  -18    8    1 o   79.325   11.903   64.789   18.884      ?      ? 
1 1 1  -18    8    2 o   82.656   11.889   70.412   19.654      ?      ? 
1 1 1  -18    8    3 o  104.419   9.5290  111.434   19.900      ?      ? 
1 1 1  -18    8    4 o  123.074   8.8615  155.261   21.812      ?      ? 
1 1 1  -18    8    5 o  154.247   7.5182  244.101   23.193      ?      ? 
1 1 1  -18    8    6 o   68.715   9.1856   61.669   14.196 -64.78642 18.37114 
1 1 1  -18    8    7 o   85.948   9.5998   72.290   14.976 58.22663 19.19966 
1 1 1  -18    8    8 o  154.852   7.9674  241.176   24.675      ?      ? 
1 1 1  -18    8    9 f  158.278   5.0510  257.391   15.466 -15.24449 10.10207 
1 1 1  -18    8   10 o   61.183   17.772   41.579   23.030      ?      ? 
1 1 1  -18    8   11 o  248.712   3.8774  621.524   19.189 8.376175 7.754864 
1 1 1  -18    8   12 o  105.883   6.6799  116.913   13.912 -15.69085 13.35987 
1 1 1  -18    8   13 o   92.035   7.8587   91.002   13.837 -26.28438 15.71734 
1 1 1  -18    8   14 o  181.068   4.3374  327.845   15.647 17.54709 8.674837 
1 1 1  -18    8   15 o   34.069   10.422  -3.0181   13.640 -8.097460 20.84439 
1 1 1  -18    8   16 o  143.139   5.1843  207.636   14.790 6.366089 10.36857 
1 1 1  -18    8   17 o   99.628   6.9984  101.102   13.877 11.86079 13.99676 
1 1 1  -18    8   18 o   60.228   11.094   40.291   13.488 3.580132 22.18714 
1 1 1  -18    8   19 o  174.055   4.4660  307.263   15.531 -5.593674 8.932012 
1 1 1  -18    8   20 o   47.434   11.922   22.563   14.241 -0.8741379 23.84451 
1 1 1  -18    8   21 o   55.586   11.926   33.895   14.745 13.35295 23.85249 
1 1 1  -18    8   22 o  132.498   5.8344  178.557   15.459 2.897415 11.66888 
1 1 1  -18    8   23 o  102.153   6.9976  107.999   14.206 -1.708847 13.99515 
1 1 1  -18    9    1 o  137.122   7.3968  191.760   20.285      ?      ? 
1 1 1  -18    9    2 o  143.646   7.3347  211.022   21.072      ?      ? 
1 1 1  -18    9    3 o  114.681   9.1909  136.799   21.080      ?      ? 
1 1 1  -18    9    4 o   79.347   13.224   67.005   20.986      ?      ? 
1 1 1  -18    9    5 o   31.520   14.382 -12.2325   20.304      ?      ? 
1 1 1  -18    9    6 o  166.518   6.6177  278.580   22.039      ?      ? 
1 1 1  -18    9    7 o  158.662   4.8582  246.478   15.181 37.73755 9.716300 
1 1 1  -18    9    8 o  137.626   5.8727  185.339   15.024 71.76444 11.74537 
1 1 1  -18    9    9 o  157.747   7.1451  252.178   22.542      ?      ? 
1 1 1  -18    9   10 o   73.832   9.9438   61.364   13.914 -21.24609 19.88766 
1 1 1  -18    9   11 o  140.424   5.2028  200.664   14.461 -1.859879 10.40554 
1 1 1  -18    9   12 o  122.233   5.8467  155.264   13.958 -14.06647 11.69333 
1 1 1  -18    9   13 o   66.387   10.361   47.162   13.421 15.65128 20.72121 
1 1 1  -18    9   14 o   90.866   7.4858   86.513   13.273 -16.56355 14.97153 
1 1 1  -18    9   15 o   94.952   7.2354   93.630   13.727 -0.1287384 14.47076 
1 1 1  -18    9   16 o  186.924   4.2356  349.955   15.755 14.70712 8.471112 
1 1 1  -18    9   17 o  158.452   4.6806  254.972   14.789 -4.452072 9.361176 
1 1 1  -18    9   18 o  147.452   4.9895  220.406   14.701 5.909424 9.978947 
1 1 1  -18    9   19 o   39.505   10.911   7.7082   13.868 -15.83442 21.82252 
1 1 1  -18    9   20 o   56.520   11.248   34.016   13.993 23.46006 22.49541 
1 1 1  -18    9   21 o   65.208   10.975   47.294   14.174 -10.34483 21.94983 
1 1 1  -18    9   22 o   94.538   7.6366   92.304   14.401 7.653328 15.27325 
1 1 1  -18    9   23 o   46.080   10.796   23.615   13.331 -24.28348 21.59111 
1 1 1  -18   10    1 o  114.737   8.7299  134.136   20.033      ?      ? 
1 1 1  -18   10    2 o  140.920   7.5363  200.749   21.240      ?      ? 
1 1 1  -18   10    3 f  277.691   5.5971  774.469   31.085      ?      ? 
1 1 1  -18   10    4 f  409.861   6.4235  1687.02   52.655      ?      ? 
1 1 1  -18   10    5 o  353.560   5.9543  1254.06   42.104      ?      ? 
1 1 1  -18   10    6 o  268.207   3.9279  701.244   20.754 46.27818 7.855823 
1 1 1  -18   10    7 o  120.337   9.0111  146.947   21.687      ?      ? 
1 1 1  -18   10    9 o   21.650   10.806 -49.5751   19.210      ?      ? 
1 1 1  -18   10   10 o   61.290   15.327   41.688   18.758      ?      ? 
1 1 1  -18   10   11 o   65.715   10.052   49.063   12.924 -19.77844 20.10488 
1 1 1  -18   10   12 o   88.003   8.3822   78.923   13.728 37.69303 16.76448 
1 1 1  -18   10   13 o   83.827   8.1478   71.834   13.489 2.048843 16.29552 
1 1 1  -18   10   14 o   25.401   8.7198 -29.2839   13.367 5.360294 17.43967 
1 1 1  -18   10   15 o   38.836   10.646   7.2075   13.472 -15.61560 21.29244 
1 1 1  -18   10   16 o   48.256   11.655   22.760   13.437 11.39737 23.31065 
1 1 1  -18   10   17 f  144.030   7.7054  211.180   22.196      ?      ? 
1 1 1  -18   10   18 o  118.078   9.1543  143.416   21.618      ?      ? 
1 1 1  -18   10   19 o  103.255   10.306  110.297   21.282      ?      ? 
1 1 1  -18   10   20 o  159.951   6.9827  259.929   22.338      ?      ? 
1 1 1  -18   10   21 o  154.640   7.3222  242.405   22.646      ?      ? 
1 1 1  -18   10   22 o   45.745   11.667   20.361   13.638 -0.1053963 23.33431 
1 1 1  -18   11    1 o  249.547   5.4414  624.415   27.158      ?      ? 
1 1 1  -18   11    2 o  281.764   5.3908  796.016   30.379      ?      ? 
1 1 1  -18   11    3 o  246.651   5.3683  610.091   26.482      ?      ? 
1 1 1  -18   11    4 o  324.268   5.5482  1055.41   35.982      ?      ? 
1 1 1  -18   11    5 o  298.372   5.5865  895.223   33.337      ?      ? 
1 1 1  -18   11    6 o  174.089   4.4813  304.374   15.525 10.40430 8.962515 
1 1 1  -18   11    7 o   25.422   12.314 -30.3752   19.478      ?      ? 
1 1 1  -18   11    8 o   32.851   14.558  -4.4473   19.041      ?      ? 
1 1 1  -18   11    9 o   90.187   7.2184   84.502   12.916 -7.298088 14.43670 
1 1 1  -18   11   10 o  140.177   7.1519  199.410   20.051      ?      ? 
1 1 1  -18   11   11 f  184.268   4.1135  338.785   15.077 17.23482 8.226950 
1 1 1  -18   11   12 o   98.339   6.9807  100.534   13.428 -13.23096 13.96136 
1 1 1  -18   11   13 o  158.083   4.7140  253.107   14.854 3.839508 9.428080 
1 1 1  -18   11   14 o   73.402   9.7189   60.490   13.437 -18.60222 19.43780 
1 1 1  -18   11   15 f   41.476   11.385   12.932   13.347 5.339817 22.77010 
1 1 1  -18   11   16 o   30.705   9.8708 -10.0000   13.087 6.899961 19.74152 
1 1 1  -18   11   17 o   48.247   11.574   24.263   13.218 1.120930 23.14812 
1 1 1  -18   11   18 o  136.903   8.0330  191.649   21.995      ?      ? 
1 1 1  -18   11   19 o  143.643   7.9772  210.467   22.917      ?      ? 
1 1 1  -18   11   20 f  126.791   8.8649  164.285   22.480      ?      ? 
1 1 1  -18   11   21 o  141.066   8.1266  202.559   22.928      ?      ? 
1 1 1  -18   11   22 o   38.478   15.891   14.919   19.835      ?      ? 
1 1 1  -18   12    1 o  138.387   7.5927  193.526   21.015      ?      ? 
1 1 1  -18   12    2 f   71.146   13.778   54.245   18.905      ?      ? 
1 1 1  -18   12    3 o   21.494   10.728 -49.0871   18.930      ?      ? 
1 1 1  -18   12    5 o   19.650   9.9104 -57.3703   18.268      ?      ? 
1 1 1  -18   12    6 o   48.342   10.881   23.453   12.740 -18.90615 21.76260 
1 1 1  -18   12    7 o   38.934   15.487   10.080   18.028      ?      ? 
1 1 1  -18   12    8 o   32.343   14.323  -4.0118   18.388      ?      ? 
1 1 1  -18   12    9 o   59.663   10.809   39.212   12.955 0.8313370 21.61820 
1 1 1  -18   12   10 o  123.104   7.8416  153.502   19.307      ?      ? 
1 1 1  -18   12   11 o  158.149   4.4822  250.589   14.126 17.98695 8.964411 
1 1 1  -18   12   12 o   51.365   10.165   26.926   12.934 -32.82887 20.32938 
1 1 1  -18   12   13 f   41.501   11.132   14.255   12.659 3.506660 22.26501 
1 1 1  -18   12   14 o   56.834   11.089   36.323   13.138 -9.421791 22.17889 
1 1 1  -18   12   15 o   71.010   9.5403   54.881   13.067 -9.151344 19.08063 
1 1 1  -18   12   16 o  132.603   7.8729  179.285   20.879      ?      ? 
1 1 1  -18   12   17 o   82.242   9.1004   77.530   13.568 -31.43356 18.20074 
1 1 1  -18   12   18 o  132.177   5.5270  177.954   14.530 0.4788208E-01 11.05392 
1 1 1  -18   12   19 o   66.852   10.819   49.561   14.124 0.5550766 21.63818 
1 1 1  -18   12   20 o  236.100   5.7201  562.104   27.010      ?      ? 
1 1 1  -18   12   21 o   60.723   17.343   42.602   22.115      ?      ? 
1 1 1  -18   13    1 f   66.554   14.498   48.540   18.762      ?      ? 
1 1 1  -18   13    2 o   62.767   14.523   43.216   17.884      ?      ? 
1 1 1  -18   13    3 o   86.231   10.142   76.502   17.491      ?      ? 
1 1 1  -18   13    4 o   51.691   15.368   29.116   17.040      ?      ? 
1 1 1  -18   13    5 o   82.419   10.594   70.248   17.464      ?      ? 
1 1 1  -18   13    6 o  163.362   4.3151  269.787   14.095 -3.907654 8.630155 
1 1 1  -18   13    7 o  103.180   6.7118  110.546   13.378 -33.48408 13.42352 
1 1 1  -18   13    8 o  110.712   8.7315  124.717   19.334      ?      ? 
1 1 1  -18   13    9 o  148.305   6.8792  221.995   20.404      ?      ? 
1 1 1  -18   13   10 o  109.313   6.3404  121.937   13.847 -4.905174 12.68076 
1 1 1  -18   13   11 o  169.110   4.3387  291.610   14.587 -15.66933 8.677475 
1 1 1  -18   13   12 o  173.201   4.2385  303.612   14.626 -4.357971 8.476920 
1 1 1  -18   13   13 f  135.500   5.0606  184.277   13.541 8.971832 10.12114 
1 1 1  -18   13   14 o   50.717   16.659   27.489   19.525      ?      ? 
1 1 1  -18   13   15 o  123.209   5.5943  154.850   13.694 -0.7212830 11.18867 
1 1 1  -18   13   16 o  118.325   8.7931  143.858   20.809      ?      ? 
1 1 1  -18   13   17 o   68.175   15.740   51.795   21.043      ?      ? 
1 1 1  -18   13   18 o   56.472   11.536   34.755   14.024 15.19519 23.07162 
1 1 1  -18   13   19 o  122.327   5.9014  152.432   14.415 -2.359573 11.80285 
1 1 1  -18   13   20 o   90.535   8.5813   88.383   14.613 -27.39369 17.16258 
1 1 1  -18   14    1 o  138.562   7.1788  195.054   19.894      ?      ? 
1 1 1  -18   14    2 o  166.449   6.1689  280.313   20.536      ?      ? 
1 1 1  -18   14    3 o  113.774   8.0507  131.994   18.319      ?      ? 
1 1 1  -18   14    4 o   78.020   11.347   63.123   17.706      ?      ? 
1 1 1  -18   14    5 o   73.878   12.116   56.649   17.903      ?      ? 
1 1 1  -18   14    6 o   99.859   6.4571  101.539   12.893 -0.9637070 12.91415 
1 1 1  -18   14    7 o  183.546   5.7618  339.103   21.151      ?      ? 
1 1 1  -18   14    8 f  187.715   5.7457  354.919   21.571      ?      ? 
1 1 1  -18   14    9 o   51.001   16.169   28.338   18.474      ?      ? 
1 1 1  -18   14   10 o   54.150   11.169   32.484   12.946 8.555565 22.33759 
1 1 1  -18   14   11 o   33.236   10.188  -0.6957   12.457 1.512978 20.37637 
1 1 1  -18   14   12 o   50.514   16.576   27.248   19.332      ?      ? 
1 1 1  -18   14   13 o   34.660   10.341   2.4831   12.522 -4.521912 20.68155 
1 1 1  -18   14   14 o   94.011   10.283   91.345   19.335      ?      ? 
1 1 1  -18   14   15 o   30.855   14.063  -9.7699   19.302      ?      ? 
1 1 1  -18   14   16 o   91.777   11.122   87.495   20.416      ?      ? 
1 1 1  -18   14   17 o   36.083   15.618   0.4004   20.735      ?      ? 
1 1 1  -18   14   18 o  120.150   6.1626  145.911   14.701 20.42083 12.32511 
1 1 1  -18   14   19 o   81.368   8.9696   70.492   14.170 -8.657600 17.93916 
1 1 1  -18   14   20 o   67.764   8.0315   62.433   14.735 -83.77914 16.06296 
1 1 1  -18   15    1 f  173.064   6.1280  302.139   21.211      ?      ? 
1 1 1  -18   15    2 o  137.623   6.9625  191.447   19.164      ?      ? 
1 1 1  -18   15    3 o  144.794   6.7881  211.670   19.658      ?      ? 
1 1 1  -18   15    4 f  229.230   5.3900  528.488   24.711      ?      ? 
1 1 1  -18   15    5 o  267.135   5.2526  717.576   28.063      ?      ? 
1 1 1  -18   15    6 o  149.782   4.6227  227.326   13.804 -11.69429 9.245424 
1 1 1  -18   15    7 o  179.976   5.8384  327.620   21.016      ?      ? 
1 1 1  -18   15    8 o  120.747   7.7542  148.881   18.726      ?      ? 
1 1 1  -18   15    9 o   95.168   6.8710   92.938   13.065 -5.697311 13.74199 
1 1 1  -18   15   10 o  120.629   7.8662  148.093   18.978      ?      ? 
1 1 1  -18   15   11 o   64.487   14.818   46.008   18.721      ?      ? 
1 1 1  -18   15   12 o   61.799   15.849   42.597   19.682      ?      ? 
1 1 1  -18   15   13 o  102.544   6.2380  108.312   12.702 -4.985229 12.47609 
1 1 1  -18   15   14 o   80.148   11.829   67.437   18.961      ?      ? 
1 1 1  -18   15   15 o   49.944   16.453   26.555   19.047      ?      ? 
1 1 1  -18   15   16 o  103.169   9.5739  109.630   19.755      ?      ? 
1 1 1  -18   15   17 o  105.314   9.6733  113.603   20.375      ?      ? 
1 1 1  -18   15   18 o   92.358   7.7778   89.374   14.155 -12.96593 15.55552 
1 1 1  -18   15   19 o  115.582   6.5043  144.662   14.994 -11.16000 13.00867 
1 1 1  -18   16    1 o   82.321   10.844   69.631   17.854      ?      ? 
1 1 1  -18   16    2 f   62.708   14.413   42.895   17.708      ?      ? 
1 1 1  -18   16    3 o   69.600   13.238   52.362   17.763      ?      ? 
1 1 1  -18   16    4 o  136.930   6.8576  190.559   18.780      ?      ? 
1 1 1  -18   16    5 o  136.302   6.9494  189.062   18.944      ?      ? 
1 1 1  -18   16    6 o  215.576   3.7177  468.813   16.028 1.102448 7.435393 
1 1 1  -18   16    7 o  113.857   8.0110  131.909   18.242      ?      ? 
1 1 1  -18   16    8 o  221.418   5.3124  494.209   23.525      ?      ? 
1 1 1  -18   16    9 o  104.124   6.2211  111.433   12.907 -7.231956 12.44225 
1 1 1  -18   16   10 o  152.769   6.5479  236.438   20.006      ?      ? 
1 1 1  -18   16   11 o  127.596   7.8331  165.912   19.989      ?      ? 
1 1 1  -18   16   12 o   42.089   15.923   15.414   18.380      ?      ? 
1 1 1  -18   16   13 o  112.978   5.7977  131.837   12.968 -12.99857 11.59538 
1 1 1  -18   16   14 f  116.092   8.3077  137.645   19.289      ?      ? 
1 1 1  -18   16   15 o   86.074   10.888   76.913   18.744      ?      ? 
1 1 1  -18   16   16 o   99.468   9.6449  101.300   19.187      ?      ? 
1 1 1  -18   16   17 o  102.367   6.9767  108.881   14.014 -23.07256 13.95332 
1 1 1  -18   16   18 o   45.311   11.591   23.870   13.935 12.84051 23.18217 
1 1 1  -18   17    1 o  143.709   6.7330  209.450   19.352      ?      ? 
1 1 1  -18   17    2 o  197.383   5.4647  393.051   21.573      ?      ? 
1 1 1  -18   17    3 o  161.157   6.1318  262.440   19.764      ?      ? 
1 1 1  -18   17    4 o  226.467   5.1794  516.616   23.459      ?      ? 
1 1 1  -18   17    5 o  104.981   8.3663  112.388   17.566      ?      ? 
1 1 1  -18   17    6 o   97.477   9.0294   97.381   17.603      ?      ? 
1 1 1  -18   17    7 o   50.790   15.688   28.105   17.532      ?      ? 
1 1 1  -18   17    8 o  107.163   5.9947  117.629   12.735 18.06775 11.98947 
1 1 1  -18   17    9 o   68.856   13.273   51.414   17.626      ?      ? 
1 1 1  -18   17   10 o   93.652   9.8492   90.557   18.448      ?      ? 
1 1 1  -18   17   11 o  176.153   5.7820  313.994   20.370      ?      ? 
1 1 1  -18   17   12 o   92.730   6.7487   88.448   12.503 0.7672653 13.49745 
1 1 1  -18   17   13 o   81.604   11.244   69.282   18.352      ?      ? 
1 1 1  -18   17   14 o  126.042   7.6797  161.671   19.359      ?      ? 
1 1 1  -18   17   15 f   94.128   9.9032   90.811   18.644      ?      ? 
1 1 1  -18   17   16 o   71.496   9.7635   54.588   13.555 -29.68042 19.52701 
1 1 1  -18   17   17 o  101.362   7.1438  120.312   13.986 27.50878 14.28762 
1 1 1  -18   18    1 o  143.177   6.8642  207.987   19.656      ?      ? 
1 1 1  -18   18    2 o  107.381   8.7218  118.051   18.731      ?      ? 
1 1 1  -18   18    3 f  108.854   8.6733  121.289   18.882      ?      ? 
1 1 1  -18   18    4 o  137.192   7.0737  191.137   19.409      ?      ? 
1 1 1  -18   18    5 o  126.374   7.5284  162.457   19.028      ?      ? 
1 1 1  -18   18    6 o   95.578   9.6858   93.966   18.515      ?      ? 
1 1 1  -18   18    7 o  114.141   5.7027  132.911   13.015 2.343048 11.40549 
1 1 1  -18   18    8 o  156.548   6.3227  248.417   19.796      ?      ? 
1 1 1  -18   18    9 o   77.424   12.137   63.089   18.794      ?      ? 
1 1 1  -18   18   10 o   44.652   15.998   19.391   18.182      ?      ? 
1 1 1  -18   18   11 o  144.153   4.5333  211.410   13.000 -8.560959 9.066541 
1 1 1  -18   18   12 o   77.137   8.5783   64.383   12.576 -18.82022 17.15651 
1 1 1  -18   18   13 o   78.896   8.1005   64.806   12.693 -8.977608 16.20108 
1 1 1  -18   18   14 o   93.880   10.340   90.594   19.414      ?      ? 
1 1 1  -18   18   15 o   51.589   11.554   28.142   13.708 14.40890 23.10868 
1 1 1  -18   19    1 o  115.245   8.5680  135.826   19.748      ?      ? 
1 1 1  -18   19    2 o   97.536   9.9688   98.087   19.446      ?      ? 
1 1 1  -18   19    3 o  107.472   8.9813  118.478   19.305      ?      ? 
1 1 1  -18   19    4 f  195.937   5.7041  388.047   22.353      ?      ? 
1 1 1  -18   19    5 o  154.544   6.6406  242.479   20.525      ?      ? 
1 1 1  -18   19    6 o  179.206   4.0348  318.427   14.312 26.14259 8.069693 
1 1 1  -18   19    7 o  206.422   5.5611  430.631   22.959      ?      ? 
1 1 1  -18   19    8 o  174.052   6.0690  306.450   21.127      ?      ? 
1 1 1  -18   19    9 o  101.534   9.2356  105.849   18.754      ?      ? 
1 1 1  -18   19   10 o  179.363   4.0814  325.343   14.634 4.957886 8.162806 
1 1 1  -18   19   11 o  141.840   4.7694  203.866   13.518 -3.040375 9.538743 
1 1 1  -18   19   12 o  134.335   7.2711  182.891   19.535      ?      ? 
1 1 1  -18   19   13 o   50.169   16.278   26.790   18.646      ?      ? 
1 1 1  -18   19   14 o   76.152   9.4284   64.589   14.024 -0.7435760 18.85690 
1 1 1  -18   20    1 o  165.104   6.4963  276.652   21.451      ?      ? 
1 1 1  -18   20    2 o  114.992   8.5406  135.582   19.642      ?      ? 
1 1 1  -18   20    3 o  136.208   7.2277  188.788   19.689      ?      ? 
1 1 1  -18   20    4 o  133.600   7.4787  181.698   19.983      ?      ? 
1 1 1  -18   20    5 o  158.684   6.6218  255.221   21.015      ?      ? 
1 1 1  -18   20    6 o  186.925   5.9782  353.318   22.349      ?      ? 
1 1 1  -18   20    7 o  129.741   7.7533  171.634   20.118      ?      ? 
1 1 1  -18   20    8 o  209.344   3.9062  442.394   16.355 0.5536957 7.812455 
1 1 1  -18   20    9 o  107.171   8.4764  117.059   18.168      ?      ? 
1 1 1  -18   20   10 f  155.037   6.4192  242.893   19.904      ?      ? 
1 1 1  -18   20   11 o  136.234   8.0566  188.981   21.952      ?      ? 
1 1 1  -18   20   12 o  144.768   5.5978  220.090   15.742 -19.37321 11.19559 
1 1 1  -18   21    1 o  174.661   6.5554  309.316   22.899      ?      ? 
1 1 1  -18   21    2 o  182.773   6.1730  338.220   22.565      ?      ? 
1 1 1  -18   21    3 o  142.966   7.1110  207.767   20.333      ?      ? 
1 1 1  -18   21    4 o  102.303   9.3594  107.541   19.150      ?      ? 
1 1 1  -18   21    5 o   96.550   9.9710   95.904   19.254      ?      ? 
1 1 1  -18   21    6 o  107.249   6.5286  117.691   13.487 38.61029 13.05712 
1 1 1  -18   21    7 o  216.538   5.4681  472.452   23.681      ?      ? 
1 1 1  -18   21    8 o  147.869   6.2755  220.930   18.559      ?      ? 
1 1 1  -18   21    9 o  115.505   7.4617  135.649   17.237      ?      ? 
1 1 1  -18   21   10 o   82.710   8.0443   72.084   13.152 -17.71067 16.08861 
1 1 1  -18   22    1 f  145.049   6.9545  212.980   20.175      ?      ? 
1 1 1  -18   22    2 o  130.799   7.3168  173.416   19.141      ?      ? 
1 1 1  -18   22    3 o  166.618   5.9286  280.126   19.756      ?      ? 
1 1 1  -18   22    4 o  139.098   6.6524  195.751   18.507      ?      ? 
1 1 1  -18   22    5 o  108.559   8.3172  120.137   18.058      ?      ? 
1 1 1  -18   22    6 o  127.390   7.0311  164.829   17.914      ?      ? 
1 1 1  -18   22    7 o   58.150   13.625   37.890   15.586      ?      ? 
1 1 1  -18   22    8 o   73.245   8.4992   64.985   11.942 -18.36321 16.99831 
1 1 1  -18   23    1 o   98.066   8.9357   99.777   17.526      ?      ? 
1 1 1  -18   23    2 f  117.613   7.3905  142.604   17.384      ?      ? 
1 1 1  -18   23    3 f   92.996   9.0026   92.603   16.744      ?      ? 
1 1 1  -18   23    4 f   95.608   8.8650  125.803   16.951      ?      ? 
1 1 1  -17    0    5 o   83.662   11.913   73.216   19.343 -0.000000 0.000000 
1 1 1  -17    0    6 o   77.663   15.232   67.826   21.102 -0.000000 0.000000 
1 1 1  -17    0    7 o  140.797   7.7687  201.067   21.736 -0.000000 0.000000 
1 1 1  -17    0    8 o  178.926   6.7820  322.138   24.194 -0.000000 0.000000 
1 1 1  -17    0    9 o  308.106   5.5956  951.099   34.455 -0.000000 0.000000 
1 1 1  -17    0   10 o  127.281   8.0987  164.489   20.445 -0.000000 0.000000 
1 1 1  -17    0   11 o   33.349   18.590   16.471   18.183 -0.000000 0.000000 
1 1 1  -17    0   12 o  229.133   5.2753  527.269   24.146 -0.000000 0.000000 
1 1 1  -17    0   13 o  177.168   5.7336  315.955   20.269 -0.000000 0.000000 
1 1 1  -17    0   14 o   95.848   10.243   95.995   19.239 -0.000000 0.000000 
1 1 1  -17    0   15 o   99.509   10.450  104.537   20.389 -0.000000 0.000000 
1 1 1  -17    0   16 o  282.893   5.5898  802.377   31.599 -0.000000 0.000000 
1 1 1  -17    0   17 o   93.770   11.741   93.245   21.456 -0.000000 0.000000 
1 1 1  -17    0   18 o   22.945   15.524  -6.8945   20.215 -0.000000 0.000000 
1 1 1  -17    0   19 o   16.963   12.280 -29.8131   19.508 -0.000000 0.000000 
1 1 1  -17    0   20 o  106.159   9.4539  116.320   19.771 -0.000000 0.000000 
1 1 1  -17    0   21 o  124.907   8.3522  160.069   20.675 -0.000000 0.000000 
1 1 1  -17    0   22 o   28.356   17.721   6.9308   20.032 -0.000000 0.000000 
1 1 1  -17    0   23 o   43.271   20.740   29.200   20.513 -0.000000 0.000000 
1 1 1  -17    0   24 o   28.509   17.816   7.3740   20.247 -0.000000 0.000000 
1 1 1  -17    0   25 o   26.050   16.881   1.8126   20.173 -0.000000 0.000000 
1 1 1  -17    0   26 o   53.536   21.535   41.440   22.349 -0.000000 0.000000 
1 1 1  -17    0   27 o   77.232   17.465   70.508   23.487 -0.000000 0.000000 
1 1 1  -17    1    4 o  211.347   5.7554  449.056   24.328      ?      ? 
1 1 1  -17    1    5 o  183.915   4.2221  340.441   15.530 0.3989716 8.444204 
1 1 1  -17    1    6 o   83.913   9.2697   74.274   14.990 -17.85677 18.53946 
1 1 1  -17    1    7 o  226.830   4.1061  517.583   18.620 -6.678619 8.212250 
1 1 1  -17    1    8 o  165.738   4.9647  275.608   16.447 -7.853027 9.929380 
1 1 1  -17    1    9 o  263.509   3.9809  647.757   20.241 84.21623 7.961725 
1 1 1  -17    1   10 f   66.219   10.521   47.094   13.722 17.13780 21.04224 
1 1 1  -17    1   11 o   27.912   9.1992 -15.7539   12.626 4.586342 18.39833 
1 1 1  -17    1   12 o   34.776   10.326   1.4419   12.412 -7.360531 20.65269 
1 1 1  -17    1   13 o  183.822   3.9756  339.706   14.605 -6.302765 7.951253 
1 1 1  -17    1   14 o  169.517   4.4548  289.882   15.103 -2.180695 8.909536 
1 1 1  -17    1   16 o  274.584   3.9681  749.728   21.674 21.73090 7.936108 
1 1 1  -17    1   17 o  236.411   4.1653  563.365   19.677 -1.121780 8.330564 
1 1 1  -17    1   18 o   54.281   11.529   31.543   14.541 -21.05819 23.05874 
1 1 1  -17    1   19 o   80.951   9.2195   71.219   14.087 -25.82056 18.43894 
1 1 1  -17    1   20 o   96.083   9.0919  106.266   14.425 74.95891 18.18382 
1 1 1  -17    1   21 o   49.588   11.854   25.182   14.424 -13.87086 23.70847 
1 1 1  -17    1   22 o   33.779   10.682  -6.3998   14.752 -2.992947 21.36394 
1 1 1  -17    1   23 o  140.911   5.8099  203.964   16.228 9.173569 11.61985 
1 1 1  -17    1   24 o   81.943   9.9492   73.675   15.662 10.26705 19.89849 
1 1 1  -17    1   25 o   82.589   9.6153   73.506   15.376 6.745163 19.23052 
1 1 1  -17    1   26 o   68.871   11.485   53.658   15.818 19.73060 22.96955 
1 1 1  -17    1   27 o   44.540   11.078   10.008   15.748 29.75772 22.15572 
1 1 1  -17    2    4 o  240.360   5.5125  580.659   26.500      ?      ? 
1 1 1  -17    2    5 o  121.280   5.9024  148.858   14.307 5.154266 11.80475 
1 1 1  -17    2    6 o   77.847   9.6968   64.115   14.688 -11.19684 19.39356 
1 1 1  -17    2    7 o  209.441   4.3096  441.364   18.025 -4.251816 8.619267 
1 1 1  -17    2    8 o  246.049   4.1009  580.429   19.680 73.24678 8.201839 
1 1 1  -17    2    9 o  328.588   4.2021  923.094   25.383 131.7755 8.404243 
1 1 1  -17    2   10 o   72.744   8.0196   58.099   13.849 87.15497 16.03914 
1 1 1  -17    2   11 o   64.590   10.286   45.721   12.988 3.463398 20.57290 
1 1 1  -17    2   12 o   46.219   11.107   21.038   12.266 -1.894077 22.21497 
1 1 1  -17    2   13 o  118.546   5.4987  142.064   12.994 -13.41401 10.99733 
1 1 1  -17    2   14 o  191.977   4.0863  371.498   15.682 -0.2608795 8.172539 
1 1 1  -17    2   15 o   47.371   11.455   21.709   13.946 -16.69667 22.90983 
1 1 1  -17    2   16 o  217.477   4.1924  473.977   18.161 -26.77045 8.384771 
1 1 1  -17    2   18 o   98.821   7.6996  101.021   15.205 -1.990166 15.39915 
1 1 1  -17    2   19 o   68.242   11.027   51.607   14.754 -9.257664 22.05433 
1 1 1  -17    2   20 f   81.395   9.4587   70.167   14.889 10.98816 18.91735 
1 1 1  -17    2   21 o   28.097   9.4442 -28.4432   14.778 -9.891050 18.88836 
1 1 1  -17    2   22 o   70.611   10.900   54.882   15.032 -17.37514 21.79927 
1 1 1  -17    2   23 f   94.633   8.1293   93.369   15.337 3.793610 16.25855 
1 1 1  -17    2   24 o   80.545   10.087   72.895   15.404 26.52836 20.17393 
1 1 1  -17    2   25 o   69.812   11.154   54.605   15.274 12.25464 22.30888 
1 1 1  -17    2   26 o  153.848   5.3783  241.069   16.482 -9.214005 10.75653 
1 1 1  -17    2   27 o  100.567   11.128  106.288   22.382      ?      ? 
1 1 1  -17    3    4 o  225.232   5.5629  510.138   25.059      ?      ? 
1 1 1  -17    3    5 o  217.668   4.1094  477.369   17.854 -17.60870 8.218897 
1 1 1  -17    3    6 o  217.052   4.1884  472.293   18.144 16.67981 8.376879 
1 1 1  -17    3    7 o  220.775   4.6163  451.891   19.061 -112.1934 9.232509 
1 1 1  -17    3    8 o  308.536   4.0309  937.456   24.639 -39.45743 8.061822 
1 1 1  -17    3    9 o  239.373   4.1542  576.932   19.778 12.63318 8.308434 
1 1 1  -17    3   10 o  162.240   4.8806  266.172   15.797 6.158859 9.761146 
1 1 1  -17    3   11 o  353.095   4.1375  1256.84   29.200 -1.442017 8.274977 
1 1 1  -17    3   12 o  127.505   5.3561  163.351   13.615 -12.19569 10.71226 
1 1 1  -17    3   13 o  176.614   4.2580  314.175   15.012 -0.8274078 8.515999 
1 1 1  -17    3   15 o   29.612   9.6657 -14.5965   13.558 3.124205 19.33137 
1 1 1  -17    3   16 o  249.285   3.9702  615.428   19.653 39.75058 7.940323 
1 1 1  -17    3   18 o   43.883   11.525   14.160   14.669 -16.83720 23.04920 
1 1 1  -17    3   19 o  254.650   3.9491  653.744   20.111 -3.950897 7.898212 
1 1 1  -17    3   20 o   29.884   9.8082 -19.8966   14.512 8.129183 19.61646 
1 1 1  -17    3   21 o   49.068   11.745   24.259   14.493 -15.40747 23.49026 
1 1 1  -17    3   22 o  110.221   6.8079  126.012   14.868 -11.48414 13.61574 
1 1 1  -17    3   23 o   84.577   8.9811   76.753   14.642 -10.48046 17.96218 
1 1 1  -17    3   24 o   53.367   11.703   31.316   14.599 -17.42444 23.40596 
1 1 1  -17    3   25 o   77.606   9.9439   64.957   15.036 14.09609 19.88787 
1 1 1  -17    3   26 o  117.527   6.8149  141.993   15.942 -7.759735 13.62988 
1 1 1  -17    3   27 o   45.321   17.343   20.078   22.009      ?      ? 
1 1 1  -17    4    3 o  179.626   6.3688  325.050   22.880      ?      ? 
1 1 1  -17    4    4 o  100.066   10.674  102.478   21.362      ?      ? 
1 1 1  -17    4    5 o  165.376   7.1408  276.356   23.618      ?      ? 
1 1 1  -17    4    6 o  201.847   4.6217  408.784   18.604 21.62814 9.243366 
1 1 1  -17    4    7 o  334.223   4.2650  1120.45   28.498 8.855072 8.529911 
1 1 1  -17    4    8 o  320.633   4.3925  738.589   23.664 -189.8599 8.785014 
1 1 1  -17    4    9 o  166.419   5.1466  280.887   16.788 8.376389 10.29311 
1 1 1  -17    4   10 o  137.633   5.5562  193.664   15.206 12.76056 11.11240 
1 1 1  -17    4   11 o   58.781   11.042   37.094   13.262 -10.34884 22.08338 
1 1 1  -17    4   12 o   61.131   10.772   40.622   13.160 5.927826 21.54475 
1 1 1  -17    4   13 o  184.467   4.1864  342.149   15.425 -5.928040 8.372808 
1 1 1  -17    4   14 o  158.706   4.5751  256.245   14.520 2.988495 9.150240 
1 1 1  -17    4   15 o   58.338   9.4109   34.312   13.815 -49.20652 18.82190 
1 1 1  -17    4   16 f  156.682   5.0371  248.844   15.629 -24.23758 10.07428 
1 1 1  -17    4   17 o  161.779   4.9226  265.390   15.919 0.1318665 9.845271 
1 1 1  -17    4   18 o  115.673   6.1824  137.201   14.265 -4.017441 12.36487 
1 1 1  -17    4   19 o   83.670   8.2735   72.416   13.806 -6.240845 16.54700 
1 1 1  -17    4   20 o   81.990   8.8185   69.816   14.459 1.398415 17.63702 
1 1 1  -17    4   21 o   91.446   8.1748   87.238   14.881 -8.286415 16.34964 
1 1 1  -17    4   22 f   76.341   10.163   63.525   14.924 3.796692 20.32608 
1 1 1  -17    4   23 o   48.909   12.158   24.360   14.821 -3.915627 24.31508 
1 1 1  -17    4   24 o   68.311   11.311   52.498   15.142 -1.513817 22.62146 
1 1 1  -17    4   25 o   92.977   8.1618   90.037   15.137 9.544136 16.32366 
1 1 1  -17    4   26 f  106.026   7.4074  117.321   15.447 -18.15120 14.81489 
1 1 1  -17    4   27 o   41.028   16.739   17.724   21.734      ?      ? 
1 1 1  -17    5    3 o  212.095   6.1977  453.494   26.290      ?      ? 
1 1 1  -17    5    4 o  216.337   6.3093  471.774   27.299      ?      ? 
1 1 1  -17    5    5 o  247.327   6.1797  615.042   30.568      ?      ? 
1 1 1  -17    5    6 o  251.584   4.3290  625.284   21.603 -42.27977 8.657940 
1 1 1  -17    5    7 o  279.961   4.1232  780.010   23.008 -26.87854 8.246410 
1 1 1  -17    5    8 o  154.150   5.5805  226.067   16.519 -61.08857 11.16100 
1 1 1  -17    5    9 o  140.876   5.7614  202.069   16.109 8.446701 11.52283 
1 1 1  -17    5   10 o   55.456   11.703   32.888   13.963 -9.693249 23.40536 
1 1 1  -17    5   11 o  108.219   6.1395  118.759   13.285 3.467865 12.27901 
1 1 1  -17    5   12 o   95.783   6.8208   93.716   13.039 6.294144 13.64159 
1 1 1  -17    5   13 o   92.480   7.0393   87.806   12.950 -4.876411 14.07865 
1 1 1  -17    5   14 o   23.642   8.2512 -38.9580   13.682 4.630728 16.50240 
1 1 1  -17    5   15 o  247.638   4.1196  613.966   20.287 4.528442 8.239288 
1 1 1  -17    5   16 o  158.263   5.2537  247.715   16.364 17.70212 10.50746 
1 1 1  -17    5   17 f   41.115   11.719   8.7284   14.867 9.937946 23.43874 
1 1 1  -17    5   18 o   33.139   10.423  -4.9100   13.861 2.466677 20.84691 
1 1 1  -17    5   19 o  145.949   5.1583  215.320   14.991 18.18044 10.31654 
1 1 1  -17    5   20 o   97.135   7.9824  100.344   14.756 36.67562 15.96475 
1 1 1  -17    5   21 o  131.228   5.7532  175.299   15.099 1.311890 11.50648 
1 1 1  -17    5   22 o   33.866   10.645  -4.9483   14.523 0.8448792 21.28985 
1 1 1  -17    5   23 o   45.188   11.577   15.682   15.152 -20.28964 23.15465 
1 1 1  -17    5   24 o   96.092   8.2426   96.246   15.798 0.5296860 16.48527 
1 1 1  -17    5   25 o   52.566   12.196   29.084   15.220 12.67427 24.39242 
1 1 1  -17    5   26 o  180.904   4.7489  330.793   17.150 3.901031 9.497779 
1 1 1  -17    6    2 o  135.486   8.1231  186.020   22.011      ?      ? 
1 1 1  -17    6    3 o  186.677   6.7098  351.186   25.051      ?      ? 
1 1 1  -17    6    4 o  143.807   8.7595  208.712   25.194      ?      ? 
1 1 1  -17    6    5 o  233.483   6.4603  546.921   30.167      ?      ? 
1 1 1  -17    6    6 o  351.952   4.3833  1241.77   30.848 -4.495331 8.766595 
1 1 1  -17    6    7 o  282.709   4.2673  778.389   23.782 -54.32602 8.534571 
1 1 1  -17    6    8 o  269.014   4.1967  726.692   22.565 -5.242493 8.393312 
1 1 1  -17    6    9 f  175.301   4.9431  310.722   17.282 -5.575256 9.886106 
1 1 1  -17    6   10 o   50.065   11.345   23.580   14.059 -22.16704 22.68932 
1 1 1  -17    6   11 o  137.029   5.0569  189.742   13.858 0.6257629E-01 10.11377 
1 1 1  -17    6   12 o   58.174   10.024   36.300   12.955 -32.38964 20.04880 
1 1 1  -17    6   13 o   40.165   10.494   9.8245   12.995 -19.85024 20.98876 
1 1 1  -17    6   14 o  142.334   5.3046  205.708   14.998 -7.668869 10.60916 
1 1 1  -17    6   15 o  222.573   4.6013  498.616   19.280 -101.3653 9.202554 
1 1 1  -17    6   16 o   66.132   11.781   50.049   15.322 -9.472828 23.56200 
1 1 1  -17    6   17 f  174.648   4.8164  302.047   16.501 19.33408 9.632744 
1 1 1  -17    6   18 o  106.501   6.9216  119.177   14.372 -18.48631 13.84320 
1 1 1  -17    6   19 o  105.492   7.0175  115.809   14.473 -15.60098 14.03504 
1 1 1  -17    6   20 f  109.087   6.8468  120.780   14.765 22.71750 13.69357 
1 1 1  -17    6   21 o   50.009   11.898   25.869   14.375 -9.293373 23.79597 
1 1 1  -17    6   22 o  178.057   4.5406  320.834   16.146 1.619431 9.081159 
1 1 1  -17    6   23 o   42.905   10.956   10.586   14.681 -24.77485 21.91107 
1 1 1  -17    6   24 o   66.471   11.480   49.808   15.090 -4.815361 22.96048 
1 1 1  -17    6   25 o   96.060   8.0772   94.120   15.275 24.00822 16.15438 
1 1 1  -17    6   26 o   42.820   11.520   11.701   15.159 -16.70410 23.03961 
1 1 1  -17    7    2 o  321.528   6.0075  1037.84   38.631      ?      ? 
1 1 1  -17    7    3 o  346.456   6.1921  1204.18   42.906      ?      ? 
1 1 1  -17    7    4 o  498.507   7.4999  2494.27   74.775      ?      ? 
1 1 1  -17    7    5 o  438.503   6.9644  1928.29   61.078      ?      ? 
1 1 1  -17    7    6 o  306.916   4.2719  944.710   26.213 -8.231934 8.543753 
1 1 1  -17    7    7 o  126.474   6.7837  164.392   16.665 36.64665 13.56735 
1 1 1  -17    7    8 o   47.878   12.230   21.757   15.145 -5.761784 24.46081 
1 1 1  -17    7    9 o  119.059   6.0577  143.564   14.402 5.360367 12.11549 
1 1 1  -17    7   10 o  138.156   5.1440  193.059   14.191 -2.947220 10.28796 
1 1 1  -17    7   11 o  117.840   5.5558  139.108   12.989 9.736694 11.11157 
1 1 1  -17    7   12 o   73.970   8.9737   59.300   12.598 -14.82308 17.94744 
1 1 1  -17    7   13 o   23.232   8.0650 -38.2787   13.291 -5.079052 16.12992 
1 1 1  -17    7   14 o  221.139   4.0809  495.974   17.850 -25.60986 8.161742 
1 1 1  -17    7   15 o  185.717   5.6856  364.606   18.165 -125.8115 11.37121 
1 1 1  -17    7   16 o  159.529   5.1003  252.203   16.015 20.26147 10.20060 
1 1 1  -17    7   17 o  212.038   4.0852  446.458   17.112 22.26022 8.170312 
1 1 1  -17    7   18 o   98.026   7.0860   98.990   13.766 -6.883423 14.17209 
1 1 1  -17    7   19 o  147.266   5.1807  219.469   15.206 1.916077 10.36137 
1 1 1  -17    7   20 o  154.350   5.0836  241.490   15.626 2.867630 10.16711 
1 1 1  -17    7   21 o   89.486   8.2675   83.702   14.746 -4.009781 16.53490 
1 1 1  -17    7   22 f   92.551   8.0482   88.611   14.840 5.534363 16.09631 
1 1 1  -17    7   23 o   37.455   11.287   3.3743   14.835 0.1378670 22.57355 
1 1 1  -17    7   24 o   52.824   12.171   29.829   14.841 8.631760 24.34204 
1 1 1  -17    7   25 o   81.529   9.6977   70.577   15.421 -1.978828 19.39549 
1 1 1  -17    7   26 o  121.295   6.5453  153.351   15.740 -9.092522 13.09066 
1 1 1  -17    8    1 o  212.863   6.3076  454.270   26.853      ?      ? 
1 1 1  -17    8    2 o  235.832   6.1816  557.451   29.156      ?      ? 
1 1 1  -17    8    3 o  367.509   6.3242  1353.78   46.484      ?      ? 
1 1 1  -17    8    4 o  528.541   7.8648  2804.70   83.138      ?      ? 
1 1 1  -17    8    5 o  296.933   6.1981  884.757   36.808      ?      ? 
1 1 1  -17    8    6 o  140.434   5.9905  192.388   16.339 47.53928 11.98094 
1 1 1  -17    8    7 o  130.876   5.9930  177.886   15.390 -20.70049 11.98606 
1 1 1  -17    8    8 o  181.726   4.2684  331.289   15.405 6.376785 8.536900 
1 1 1  -17    8    9 o  125.200   5.7068  158.497   14.188 1.450989 11.41366 
1 1 1  -17    8   10 o   50.384   10.240   26.404   12.749 -28.25230 20.48045 
1 1 1  -17    8   11 f   98.224   6.7352   98.104   13.036 1.264938 13.47041 
1 1 1  -17    8   12 o  110.081   6.4989  129.299   13.726 -14.18386 12.99786 
1 1 1  -17    8   13 f  192.095   4.2473  368.625   16.077 6.202881 8.494572 
1 1 1  -17    8   14 f  169.321   4.8325  295.249   15.940 -25.84305 9.664947 
1 1 1  -17    8   15 o   45.825   12.081   17.633   14.601 9.659370 24.16182 
1 1 1  -17    8   16 o   85.818   8.4072   72.910   14.044 18.77690 16.81439 
1 1 1  -17    8   17 o  171.256   4.4786  294.418   15.168 7.945786 8.957234 
1 1 1  -17    8   18 o  133.768   5.3673  181.651   14.224 -4.231049 10.73461 
1 1 1  -17    8   19 o  100.200   7.3154  106.660   14.244 -14.08235 14.63080 
1 1 1  -17    8   20 o  177.306   4.5116  317.739   15.900 0.4643555 9.023180 
1 1 1  -17    8   21 o   46.685   11.703   20.951   14.171 -10.94516 23.40662 
1 1 1  -17    8   22 o   66.871   10.904   50.966   14.309 -12.74753 21.80878 
1 1 1  -17    8   23 o   63.235   11.730   44.796   14.894 1.856907 23.45982 
1 1 1  -17    8   24 o   36.702   11.153   1.5560   14.703 0.3909531 22.30552 
1 1 1  -17    8   25 o  120.987   6.3489  149.644   15.321 -2.006721 12.69778 
1 1 1  -17    8   26 o   51.318   12.170   43.547   14.720 5.247112 24.34032 
1 1 1  -17    9    1 o  230.426   6.0392  532.323   27.832      ?      ? 
1 1 1  -17    9    2 o  329.280   5.9374  1087.31   39.102      ?      ? 
1 1 1  -17    9    3 o  220.813   6.4025  489.678   28.275      ?      ? 
1 1 1  -17    9    4 o   85.585   13.855   75.594   23.715      ?      ? 
1 1 1  -17    9    5 o  170.387   7.1345  294.250   24.312      ?      ? 
1 1 1  -17    9    6 o  108.788   9.7806  121.240   21.280      ?      ? 
1 1 1  -17    9    7 o  142.080   4.9867  204.603   14.041 -4.467682 9.973386 
1 1 1  -17    9    8 o   41.397   16.153   12.046   19.314      ?      ? 
1 1 1  -17    9    9 o   91.728   7.0379   85.751   12.765 0.7526169 14.07587 
1 1 1  -17    9   10 o  113.238   9.1371  130.511   20.693      ?      ? 
1 1 1  -17    9   11 o  137.947   5.1309  195.759   13.613 -4.244064 10.26174 
1 1 1  -17    9   12 o   43.357   11.554   14.848   14.100 -7.860870 23.10855 
1 1 1  -17    9   13 o  191.867   4.5464  376.228   16.998 -18.19534 9.092700 
1 1 1  -17    9   14 f  203.652   4.3253  410.768   17.196 15.79668 8.650560 
1 1 1  -17    9   15 o   71.949   10.158   57.129   13.867 -10.30296 20.31697 
1 1 1  -17    9   16 o  202.718   4.0282  412.497   16.162 8.132675 8.056375 
1 1 1  -17    9   17 o   77.294   8.3362   80.297   13.536 -87.84554 16.67231 
1 1 1  -17    9   18 o  177.050   6.4583  316.714   22.869      ?      ? 
1 1 1  -17    9   19 o  104.123   10.325  111.974   21.502      ?      ? 
1 1 1  -17    9   20 o  141.114   5.2438  201.852   14.732 4.422745 10.48757 
1 1 1  -17    9   21 o   53.833   11.217   31.563   14.100 -23.02434 22.43463 
1 1 1  -17    9   22 o   51.497   11.905   29.168   14.315 -7.510590 23.81001 
1 1 1  -17    9   23 o  117.095   6.3561  139.283   14.800 9.880440 12.71225 
1 1 1  -17    9   24 o   81.030   9.4744   70.257   14.828 -8.041550 18.94874 
1 1 1  -17    9   25 o   42.383   11.771   13.405   14.613 -1.226616 23.54150 
1 1 1  -17   10    1 o  147.444   7.5769  220.262   22.343      ?      ? 
1 1 1  -17   10    2 o  280.729   5.6654  794.749   31.809      ?      ? 
1 1 1  -17   10    3 o  290.297   5.7711  850.596   33.507      ?      ? 
1 1 1  -17   10    4 o  156.935   7.2958  249.540   22.899      ?      ? 
1 1 1  -17   10    5 o  165.997   6.5527  277.949   21.754      ?      ? 
1 1 1  -17   10    6 o  108.497   6.1107  121.824   12.984 -17.74554 12.22146 
1 1 1  -17   10    7 o   67.728   14.010   49.339   18.335      ?      ? 
1 1 1  -17   10    8 o  169.903   4.1416  288.012   14.006 17.60063 8.283165 
1 1 1  -17   10    9 o   70.703   13.518   53.544   18.433      ?      ? 
1 1 1  -17   10   10 o  106.182   6.3523  121.162   12.934 -25.78742 12.70465 
1 1 1  -17   10   11 o   58.200   10.082   38.491   12.762 -28.63294 20.16478 
1 1 1  -17   10   12 o  170.514   4.5908  299.814   15.206 -26.75194 9.181683 
1 1 1  -17   10   13 o  106.470   7.1278  109.781   14.566 42.62215 14.25566 
1 1 1  -17   10   14 o   39.721   11.120   9.1213   13.960 -9.762440 22.24023 
1 1 1  -17   10   15 o   24.839   8.5606 -31.2152   13.411 2.436052 17.12128 
1 1 1  -17   10   16 o   51.619   17.014   28.001   20.366      ?      ? 
1 1 1  -17   10   17 f  140.921   5.1393  201.169   14.350 -2.782684 10.27854 
1 1 1  -17   10   18 f   80.670   8.8575   70.409   13.638 -7.731155 17.71492 
1 1 1  -17   10   19 o  109.821   6.4950  123.104   14.139 1.818420 12.99009 
1 1 1  -17   10   20 o   97.408   10.812   98.288   21.063      ?      ? 
1 1 1  -17   10   21 o   55.329   17.072   34.112   20.767      ?      ? 
1 1 1  -17   10   22 o   71.744   10.364   56.084   14.321 9.522324 20.72714 
1 1 1  -17   10   23 o   95.348   7.7186   93.293   14.578 18.64604 15.43718 
1 1 1  -17   10   24 o  135.717   5.4826  186.601   14.771 2.342392 10.96530 
1 1 1  -17   10   25 o   61.086   10.111   42.553   13.075 31.30755 20.22108 
1 1 1  -17   11    1 o  140.838   7.3646  200.595   20.744      ?      ? 
1 1 1  -17   11    2 o  126.789   7.8533  162.717   19.914      ?      ? 
1 1 1  -17   11    3 o  100.738   9.9177  103.397   19.982      ?      ? 
1 1 1  -17   11    4 o  129.542   7.5354  169.672   19.523      ?      ? 
1 1 1  -17   11    5 o   97.046   9.4377   95.915   18.318      ?      ? 
1 1 1  -17   11    6 o   75.888   8.7260   63.332   12.294 -25.95382 17.45202 
1 1 1  -17   11    7 o  143.252   6.6565  207.087   19.071      ?      ? 
1 1 1  -17   11    8 o  173.421   4.0675  303.161   14.064 1.668747 8.134926 
1 1 1  -17   11    9 o   29.996   13.780 -10.4068   19.008      ?      ? 
1 1 1  -17   11   10 o  109.472   6.2650  122.822   13.450 -8.337479 12.53009 
1 1 1  -17   11   11 o  189.610   4.2833  321.918   15.298 83.66321 8.566683 
1 1 1  -17   11   12 f  184.315   4.3485  341.402   15.941 3.155838 8.697093 
1 1 1  -17   11   13 o  152.439   4.9755  238.331   14.993 -19.62286 9.950912 
1 1 1  -17   11   14 o  211.262   4.0160  451.885   16.900 -8.052597 8.031952 
1 1 1  -17   11   15 f   51.113   11.414   28.192   13.322 -9.081509 22.82819 
1 1 1  -17   11   16 o  154.599   4.8006  240.730   14.817 4.544571 9.601224 
1 1 1  -17   11   17 f  154.839   7.1888  243.857   22.262      ?      ? 
1 1 1  -17   11   18 o   37.005   10.952   3.3534   13.481 8.615952 21.90451 
1 1 1  -17   11   19 o  153.811   4.9478  241.425   14.913 -4.588318 9.895503 
1 1 1  -17   11   20 o  158.371   4.8679  254.917   15.137 -1.809174 9.735884 
1 1 1  -17   11   21 o   32.603   10.432  -8.8143   14.768 -3.028049 20.86486 
1 1 1  -17   11   22 o   75.763   10.229   63.981   14.887 -18.31454 20.45710 
1 1 1  -17   11   23 o   60.883   11.728   40.576   14.623 7.965767 23.45573 
1 1 1  -17   11   24 o   94.328   7.6542   92.248   14.237 -1.416107 15.30839 
1 1 1  -17   12    1 o  196.153   5.7755  387.424   22.657      ?      ? 
1 1 1  -17   12    2 o  153.472   6.6090  237.706   20.286      ?      ? 
1 1 1  -17   12    3 o  142.040   7.0367  203.863   19.990      ?      ? 
1 1 1  -17   12    4 o  148.193   6.6282  221.608   19.645      ?      ? 
1 1 1  -17   12    5 o   77.224   11.465   61.265   17.708      ?      ? 
1 1 1  -17   12    6 o  107.810   5.8243  118.734   12.498 -9.879807 11.64865 
1 1 1  -17   12    7 o  123.145   5.2661  154.071   12.802 -27.70940 10.53213 
1 1 1  -17   12    8 o   23.571   8.1416 -37.8019   12.804 -8.949059 16.28316 
1 1 1  -17   12    9 o  111.748   6.0211  125.594   13.439 -7.610054 12.04216 
1 1 1  -17   12   10 o  239.699   5.4904  576.256   26.321      ?      ? 
1 1 1  -17   12   11 o  131.997   5.4675  174.797   14.267 7.569794 10.93503 
1 1 1  -17   12   12 o   76.986   9.5948   72.357   13.899 -58.18488 19.18958 
1 1 1  -17   12   13 o   69.265   9.6715   52.036   13.053 -8.822693 19.34305 
1 1 1  -17   12   14 o   24.578   8.4427 -29.8855   13.031 2.158604 16.88544 
1 1 1  -17   12   15 f  116.869   6.2419  140.480   13.783 50.08170 12.48381 
1 1 1  -17   12   16 o  127.297   5.4313  165.024   13.751 -2.196289 10.86258 
1 1 1  -17   12   17 o  142.618   7.5740  206.900   21.604      ?      ? 
1 1 1  -17   12   18 o   69.346   15.613   53.428   21.132      ?      ? 
1 1 1  -17   12   19 o  176.120   4.4200  312.254   15.328 4.693756 8.840059 
1 1 1  -17   12   20 o   42.173   11.208   13.939   14.007 -13.62619 22.41505 
1 1 1  -17   12   21 o  103.405   7.2464  109.456   14.920 10.20513 14.49286 
1 1 1  -17   12   22 o  111.110   6.9281  127.129   15.274 -0.6130600 13.85612 
1 1 1  -17   12   23 o  113.791   6.7247  132.399   15.178 0.6916733 13.44936 
1 1 1  -17   12   24 f  111.435   7.0564  134.914   15.241 -34.59513 14.11286 
1 1 1  -17   13    1 f  176.882   5.8390  315.141   20.656      ?      ? 
1 1 1  -17   13    2 f  169.665   6.1937  290.329   21.017      ?      ? 
1 1 1  -17   13    3 o  149.753   6.4681  226.672   19.372      ?      ? 
1 1 1  -17   13    4 o  151.512   6.6520  233.070   20.157      ?      ? 
1 1 1  -17   13    5 o  176.091   6.1697  315.666   21.729      ?      ? 
1 1 1  -17   13    6 o   98.525   9.5906   99.725   18.898      ?      ? 
1 1 1  -17   13    7 o  217.515   3.8589  474.608   16.769 -2.955139 7.717870 
1 1 1  -17   13    8 o  190.746   5.5422  364.853   21.143      ?      ? 
1 1 1  -17   13    9 o  200.214   3.9810  400.458   15.900 -16.62225 7.961973 
1 1 1  -17   13   10 o  108.829   9.0322  121.036   19.659      ?      ? 
1 1 1  -17   13   11 o  113.833   5.9793  135.183   13.269 -24.81048 11.95858 
1 1 1  -17   13   12 o   68.416   9.6312   52.702   12.858 -33.03813 19.26238 
1 1 1  -17   13   13 o   64.190   9.9611   46.451   12.918 -28.15394 19.92220 
1 1 1  -17   13   14 o  159.842   6.2555  257.507   19.998      ?      ? 
1 1 1  -17   13   15 o   91.847   10.091   86.701   18.537      ?      ? 
1 1 1  -17   13   16 o   28.615   9.3324 -13.1785   12.683 -4.028992 18.66478 
1 1 1  -17   13   17 o  230.438   5.6118  535.924   25.864      ?      ? 
1 1 1  -17   13   18 o   37.231   15.916   2.2595   21.052      ?      ? 
1 1 1  -17   13   19 o  112.595   6.4314  132.341   14.099 -9.861176 12.86281 
1 1 1  -17   13   20 o   66.507   10.793   47.683   13.959 15.91808 21.58656 
1 1 1  -17   13   21 o   35.729   10.938  -0.0580   14.499 -2.568901 21.87541 
1 1 1  -17   13   22 f  127.503   5.8901  164.582   14.962 15.80328 11.78013 
1 1 1  -17   13   23 o   34.574   10.665  -3.1051   14.133 8.768112 21.33006 
1 1 1  -17   14    1 o  169.772   6.1682  292.999   20.944      ?      ? 
1 1 1  -17   14    2 o  154.545   6.5400  242.482   20.214      ?      ? 
1 1 1  -17   14    3 o  111.954   8.9420  127.704   20.022      ?      ? 
1 1 1  -17   14    4 f   98.176   10.156   97.839   19.942      ?      ? 
1 1 1  -17   14    5 o  143.450   7.3757  206.910   21.161      ?      ? 
1 1 1  -17   14    6 o  119.927   6.3345  150.161   14.236 51.12732 12.66896 
1 1 1  -17   14    7 o  253.334   3.9301  620.425   19.488 70.33141 7.860241 
1 1 1  -17   14    8 o   66.240   14.156   47.550   18.205      ?      ? 
1 1 1  -17   14    9 o  115.830   5.9247  137.163   13.530 -25.36610 11.84941 
1 1 1  -17   14   10 o  109.544   8.3016  122.355   18.188      ?      ? 
1 1 1  -17   14   11 o  175.856   4.0236  312.701   14.134 -7.946030 8.047103 
1 1 1  -17   14   12 o  234.596   5.4447  554.543   25.546      ?      ? 
1 1 1  -17   14   13 o  104.728   6.2959  110.550   12.946 27.75072 12.59190 
1 1 1  -17   14   14 o   26.154   12.520 -23.5117   18.527      ?      ? 
1 1 1  -17   14   15 o   25.482   12.286 -26.4717   18.664      ?      ? 
1 1 1  -17   14   16 o   37.922   10.783   8.6674   12.511 -1.103382 21.56586 
1 1 1  -17   14   17 o   38.073   15.894   5.5545   20.177      ?      ? 
1 1 1  -17   14   18 f  119.251   9.1530  146.104   21.830      ?      ? 
1 1 1  -17   14   19 o   69.177   10.361   56.019   13.884 -24.37642 20.72167 
1 1 1  -17   14   20 o  158.259   4.8873  253.347   15.317 3.819962 9.774678 
1 1 1  -17   14   21 o  112.678   6.6259  128.798   14.841 17.32862 13.25178 
1 1 1  -17   14   22 o   91.259   7.8560   87.178   14.142 -8.494591 15.71204 
1 1 1  -17   15    1 o  204.058   5.2938  417.457   21.605      ?      ? 
1 1 1  -17   15    2 o  188.179   5.4823  355.092   20.633      ?      ? 
1 1 1  -17   15    3 o  156.210   6.2825  244.975   19.628      ?      ? 
1 1 1  -17   15    4 o  140.538   6.9502  198.693   19.535      ?      ? 
1 1 1  -17   15    5 o  105.653   8.7772  113.209   18.547      ?      ? 
1 1 1  -17   15    6 o   47.519   11.089   21.418   13.146 -18.97898 22.17862 
1 1 1  -17   15    7 o   88.322   10.316   80.395   18.223      ?      ? 
1 1 1  -17   15    8 o  128.365   7.3623  167.294   18.901      ?      ? 
1 1 1  -17   15    9 o  137.199   6.6888  190.821   18.354      ?      ? 
1 1 1  -17   15   10 o  201.134   5.2721  407.798   21.208      ?      ? 
1 1 1  -17   15   11 o  112.153   5.7780  129.310   12.747 -21.96165 11.55598 
1 1 1  -17   15   12 o   83.305   11.071   71.117   18.445      ?      ? 
1 1 1  -17   15   13 o  100.426   6.4048  106.585   12.478 -21.04914 12.80953 
1 1 1  -17   15   14 f  201.908   5.6238  411.462   22.710      ?      ? 
1 1 1  -17   15   15 o   24.803   12.076 -31.9585   19.188      ?      ? 
1 1 1  -17   15   16 o   41.973   11.016   15.585   12.541 -5.647835 22.03253 
1 1 1  -17   15   17 o   35.839   15.423   1.1956   19.997      ?      ? 
1 1 1  -17   15   18 o   28.904   13.648 -21.2339   20.953      ?      ? 
1 1 1  -17   15   19 o  176.160   4.4561  314.445   15.563 -1.345764 8.912227 
1 1 1  -17   15   20 o  161.446   4.8260  264.139   15.442 -0.7727814 9.652075 
1 1 1  -17   15   21 o  100.476   7.6227  108.683   14.602 -27.12042 15.24549 
1 1 1  -17   15   22 o  101.415   9.2967  112.834   18.857      ?      ? 
1 1 1  -17   16    1 o  136.346   6.8379  188.169   18.646      ?      ? 
1 1 1  -17   16    2 o  185.052   5.6927  345.535   21.069      ?      ? 
1 1 1  -17   16    3 o  177.348   5.8441  317.643   20.729      ?      ? 
1 1 1  -17   16    4 o  146.282   6.4470  216.522   18.862      ?      ? 
1 1 1  -17   16    5 f  201.642   5.2523  409.727   21.182      ?      ? 
1 1 1  -17   16    6 o  332.194   3.8840  1113.30   25.802 1.039246 7.768010 
1 1 1  -17   16    7 o  205.017   5.3703  424.068   22.020      ?      ? 
1 1 1  -17   16    8 o  208.166   3.7878  436.911   15.763 -8.206284 7.575633 
1 1 1  -17   16    9 o  131.671   7.2146  175.500   18.999      ?      ? 
1 1 1  -17   16   10 o  104.490   6.1696  110.859   12.886 -1.407242 12.33928 
1 1 1  -17   16   11 o   47.625   16.186   23.001   18.433      ?      ? 
1 1 1  -17   16   12 o   68.390   13.496   51.292   17.803      ?      ? 
1 1 1  -17   16   13 o  114.230   5.4294  131.243   12.333 10.84698 10.85879 
1 1 1  -17   16   14 o  108.226   8.8211  119.946   19.093      ?      ? 
1 1 1  -17   16   15 o   71.769   9.4348   57.236   12.883 -18.62423 18.86954 
1 1 1  -17   16   16 o  113.836   5.8187  132.750   13.021 -1.769089 11.63744 
1 1 1  -17   16   17 o   70.549   14.855   55.266   20.302      ?      ? 
1 1 1  -17   16   18 o   48.411   16.704   24.126   19.660      ?      ? 
1 1 1  -17   16   19 f   61.761   10.629   40.754   13.211 21.65674 21.25770 
1 1 1  -17   16   20 o  105.671   6.7620  114.115   14.222 2.090546 13.52401 
1 1 1  -17   16   21 o  106.306   6.6927  116.740   14.074 20.48549 13.38541 
1 1 1  -17   17    1 o  125.230   7.2190  159.224   18.081      ?      ? 
1 1 1  -17   17    2 o  184.291   5.6793  342.912   20.933      ?      ? 
1 1 1  -17   17    3 o  249.520   5.2446  627.860   26.173      ?      ? 
1 1 1  -17   17    4 o  182.660   5.6816  336.970   20.756      ?      ? 
1 1 1  -17   17    5 f  264.446   5.1352  704.736   27.160      ?      ? 
1 1 1  -17   17    6 o  119.956   7.6174  146.070   18.275      ?      ? 
1 1 1  -17   17    7 o   73.409   11.946   55.570   17.539      ?      ? 
1 1 1  -17   17    8 f  113.772   5.7312  132.101   12.759 29.71976 11.46245 
1 1 1  -17   17    9 o  108.032   8.4719  118.738   18.305      ?      ? 
1 1 1  -17   17   10 f   32.662   9.9913  -0.7021   11.935 6.606272 19.98259 
1 1 1  -17   17   11 o   75.229   7.6670   58.075   11.458 5.088669 15.33405 
1 1 1  -17   17   12 o   95.901   6.1595   93.868   11.682 0.2244720 12.31908 
1 1 1  -17   17   13 o   82.108   7.4882   70.755   12.079 -8.697021 14.97642 
1 1 1  -17   17   14 o   63.718   9.6410   45.284   11.986 -15.16708 19.28208 
1 1 1  -17   17   15 o  101.718   6.1608  104.201   12.333 9.790474 12.32155 
1 1 1  -17   17   16 o   79.092   8.8290   70.593   12.762 -23.70920 17.65808 
1 1 1  -17   17   17 o   41.510   16.191   13.271   19.401      ?      ? 
1 1 1  -17   17   18 o  150.034   4.7203  226.275   14.113 15.31323 9.440579 
1 1 1  -17   17   19 o  145.445   4.9202  214.345   14.244 -0.8563995 9.840364 
1 1 1  -17   17   20 o   42.869   10.860   17.298   13.082 -16.66143 21.72086 
1 1 1  -17   18    1 o  133.258   7.1304  179.835   19.004      ?      ? 
1 1 1  -17   18    2 o  167.139   6.0372  281.780   20.181      ?      ? 
1 1 1  -17   18    3 f   96.371   9.3890   94.685   18.096      ?      ? 
1 1 1  -17   18    4 o  152.759   6.2405  235.210   19.066      ?      ? 
1 1 1  -17   18    5 o  148.552   6.3707  222.438   18.928      ?      ? 
1 1 1  -17   18    6 o   81.063   10.985   67.443   17.809      ?      ? 
1 1 1  -17   18    7 o   27.620   8.9824 -11.5542   11.604 -3.305481 17.96476 
1 1 1  -17   18    8 o   90.597   9.8480   85.004   17.844      ?      ? 
1 1 1  -17   18    9 o   85.317   7.1953   76.634   11.974 -12.48964 14.39060 
1 1 1  -17   18   10 o   85.258   10.124   74.753   17.262      ?      ? 
1 1 1  -17   18   11 o  124.290   7.2540  157.023   18.032      ?      ? 
1 1 1  -17   18   12 o   26.614   8.7113 -13.8680   11.425 -4.596489 17.42250 
1 1 1  -17   18   13 o   69.442   8.7697   51.191   11.756 -0.6035385 17.53939 
1 1 1  -17   18   14 o   41.603   10.798   15.004   11.786 9.915039 21.59632 
1 1 1  -17   18   15 o  119.421   5.3803  144.480   12.739 4.307472 10.76063 
1 1 1  -17   18   16 o   49.286   16.336   25.856   18.777      ?      ? 
1 1 1  -17   18   17 o  109.292   6.1321  121.446   13.370 4.898376 12.26425 
1 1 1  -17   18   18 o   97.375   6.8349   97.122   13.253 0.7005997 13.66977 
1 1 1  -17   18   19 o   63.548   9.9742   46.406   13.166 -34.12970 19.94834 
1 1 1  -17   19    1 o  158.150   6.3715  252.594   20.153      ?      ? 
1 1 1  -17   19    2 o  137.629   6.9512  191.855   19.134      ?      ? 
1 1 1  -17   19    3 o  141.235   6.7040  202.224   18.937      ?      ? 
1 1 1  -17   19    4 o  101.766   8.7812  106.419   17.873      ?      ? 
1 1 1  -17   19    5 o  183.249   5.6293  339.637   20.631      ?      ? 
1 1 1  -17   19    6 o   97.461   6.3306  100.950   11.855 -21.06487 12.66111 
1 1 1  -17   19    7 o   98.864   9.3381  100.062   18.464      ?      ? 
1 1 1  -17   19    8 o  171.044   4.0934  290.295   13.837 18.45135 8.186897 
1 1 1  -17   19    9 o  106.460   8.7129  116.037   18.552      ?      ? 
1 1 1  -17   19   10 f  102.064   9.0412  106.763   18.456      ?      ? 
1 1 1  -17   19   11 f  124.654   4.9453  157.743   12.100 -0.2870636 9.890647 
1 1 1  -17   19   12 o   51.144   16.123   28.711   18.392      ?      ? 
1 1 1  -17   19   13 o   67.690   9.2798   49.352   11.997 4.741608 18.55962 
1 1 1  -17   19   14 o   86.282   7.1878   76.361   12.306 3.762886 14.37563 
1 1 1  -17   19   15 o   60.773   15.540   41.230   18.963      ?      ? 
1 1 1  -17   19   16 o  107.526   6.0329  116.932   12.887 6.144600 12.06577 
1 1 1  -17   19   17 o  105.841   6.6308  116.097   13.650 -6.184174 13.26156 
1 1 1  -17   19   18 o  122.503   9.4178  164.048   23.074      ?      ? 
1 1 1  -17   20    1 o  109.361   8.4377  121.980   18.455      ?      ? 
1 1 1  -17   20    2 o  107.766   8.3552  118.353   18.008      ?      ? 
1 1 1  -17   20    3 o   57.638   15.066   36.552   17.561      ?      ? 
1 1 1  -17   20    4 o   56.283   15.284   34.904   17.646      ?      ? 
1 1 1  -17   20    5 o   66.323   14.035   48.135   18.045      ?      ? 
1 1 1  -17   20    6 o   93.430   9.9494   90.003   18.591      ?      ? 
1 1 1  -17   20    7 o  118.335   5.4216  141.494   12.620 4.476250 10.84314 
1 1 1  -17   20    8 o  111.259   8.5063  126.504   18.928      ?      ? 
1 1 1  -17   20    9 o   56.280   15.677   35.254   18.292      ?      ? 
1 1 1  -17   20   10 o   97.518   6.3351   97.727   12.116 -0.3981857 12.67029 
1 1 1  -17   20   11 o   53.088   16.315   31.276   18.993      ?      ? 
1 1 1  -17   20   12 o  212.265   3.7017  454.999   15.637 -3.259369 7.403333 
1 1 1  -17   20   13 o  109.819   5.8193  122.720   12.730 5.115112 11.63854 
1 1 1  -17   20   14 o   96.885   10.057   96.501   19.488      ?      ? 
1 1 1  -17   20   15 o  112.275   5.7760  127.212   12.742 4.315437 11.55197 
1 1 1  -17   20   16 f   60.727   10.177   42.807   13.009 -27.47947 20.35303 
1 1 1  -17   21    1 o  249.727   5.1750  628.823   25.847      ?      ? 
1 1 1  -17   21    2 f  125.360   7.4541  159.842   18.689      ?      ? 
1 1 1  -17   21    3 o  110.670   8.3072  125.052   18.387      ?      ? 
1 1 1  -17   21    4 o   90.102   10.137   83.713   18.268      ?      ? 
1 1 1  -17   21    5 o  136.831   7.0147  190.065   19.197      ?      ? 
1 1 1  -17   21    6 o   78.502   8.2978   67.888   12.007 -16.73538 16.59562 
1 1 1  -17   21    7 o   50.578   16.024   27.947   18.148      ?      ? 
1 1 1  -17   21    8 o   88.797   10.520   81.959   18.683      ?      ? 
1 1 1  -17   21    9 o  120.288   5.3998  147.408   12.806 0.6919861E-01 10.79952 
1 1 1  -17   21   10 f  270.091   5.4064  736.064   29.204      ?      ? 
1 1 1  -17   21   11 o  110.493   5.7432  125.815   12.469 -6.378754 11.48646 
1 1 1  -17   21   12 o   97.169   9.6491   96.954   18.752      ?      ? 
1 1 1  -17   21   13 o  156.867   6.5924  248.793   20.683      ?      ? 
1 1 1  -17   21   14 o  155.345   4.7620  240.453   14.424 10.63390 9.524057 
1 1 1  -17   21   15 o   69.741   17.705   60.200   24.748      ?      ? 
1 1 1  -17   22    1 o  158.874   6.1970  255.714   19.691      ?      ? 
1 1 1  -17   22    2 o  149.710   6.5033  227.413   19.472      ?      ? 
1 1 1  -17   22    3 o  161.665   6.3068  265.025   20.392      ?      ? 
1 1 1  -17   22    4 o  164.371   6.4590  274.195   21.233      ?      ? 
1 1 1  -17   22    5 o  127.157   8.3659  165.621   21.276      ?      ? 
1 1 1  -17   22    6 o  207.062   5.7086  433.285   23.641      ?      ? 
1 1 1  -17   22    7 o  114.672   5.6831  134.946   12.866 -5.390190 11.36610 
1 1 1  -17   22    8 o   52.344   16.040   30.096   18.376      ?      ? 
1 1 1  -17   22    9 o   77.279   11.968   62.470   18.497      ?      ? 
1 1 1  -17   22   10 o   96.021   6.4186   93.377   12.193 5.796494 12.83710 
1 1 1  -17   22   11 o  183.287   5.8633  338.881   21.493      ?      ? 
1 1 1  -17   22   12 o  169.531   4.1498  291.111   14.003 -6.603928 8.299682 
1 1 1  -17   22   13 o   70.995   9.3248   55.479   12.706 4.294312 18.64959 
1 1 1  -17   23    1 o  198.164   5.5380  396.402   21.949      ?      ? 
1 1 1  -17   23    2 o  207.669   5.4324  435.201   22.563      ?      ? 
1 1 1  -17   23    3 o  306.011   5.4095  945.045   33.107      ?      ? 
1 1 1  -17   23    4 o  306.784   5.5202  950.433   33.870      ?      ? 
1 1 1  -17   23    5 o  278.101   5.2652  780.411   29.285      ?      ? 
1 1 1  -17   23    6 o  132.622   7.2552  178.728   19.244      ?      ? 
1 1 1  -17   23    7 o   98.974   9.3397  100.290   18.488      ?      ? 
1 1 1  -17   23    8 f  131.694   4.8023  174.361   12.607 13.39024 9.604598 
1 1 1  -17   23    9 o  161.625   6.0239  263.725   19.472      ?      ? 
1 1 1  -17   23   10 o   53.972   15.857   32.106   18.234      ?      ? 
1 1 1  -17   23   11 o  109.040   5.8514  123.442   12.758 2.515007 11.70285 
1 1 1  -17   24    1 o  181.528   5.5829  332.250   20.269      ?      ? 
1 1 1  -17   24    2 o  200.616   5.3820  405.499   21.594      ?      ? 
1 1 1  -17   24    3 o  191.685   5.5953  370.368   21.450      ?      ? 
1 1 1  -17   24    4 o  139.507   6.4326  196.672   17.948      ?      ? 
1 1 1  -17   24    5 o  146.822   6.1872  217.718   18.168      ?      ? 
1 1 1  -17   24    6 o  149.017   4.5004  224.235   13.397 -10.29024 9.000867 
1 1 1  -17   24    7 o  135.052   6.8461  185.106   18.492      ?      ? 
1 1 1  -17   24    8 o   55.041   14.729   34.658   16.539      ?      ? 
1 1 1  -17   24    9 o   45.234   10.821  172.723   13.791 -31.87810 21.64143 
1 1 1  -17   25    1 o  129.443   5.9275  169.658   15.346      ?      ? 
1 1 1  -17   25    2 o  108.177   6.9360  119.235   15.006      ?      ? 
1 1 1  -17   25    3 o   78.391   9.1727   63.957   14.381      ?      ? 
1 1 1  -17   25    4 o   80.681   9.3050   69.540   15.015      ?      ? 
1 1 1  -16    0    5 o   87.822   11.103   78.544   19.676 -0.000000 0.000000 
1 1 1  -16    0    6 f  210.839   5.7169  446.352   24.068 -0.000000 0.000000 
1 1 1  -16    0    7 o  300.949   5.5744  908.356   33.527 -0.000000 0.000000 
1 1 1  -16    0    8 o  146.891   7.4012  218.197   21.626 -0.000000 0.000000 
1 1 1  -16    0    9 o   45.765   19.764   30.537   18.488 -0.000000 0.000000 
1 1 1  -16    0   10 o  102.078   9.4352  107.505   18.955 -0.000000 0.000000 
1 1 1  -16    0   11 o  195.533   5.8265  384.332   22.741 -0.000000 0.000000 
1 1 1  -16    0   12 o  291.943   5.3938  855.654   31.469 -0.000000 0.000000 
1 1 1  -16    0   13 f  188.892   6.1159  358.736   23.051 -0.000000 0.000000 
1 1 1  -16    0   14 o  281.838   5.3520  795.853   30.143 -0.000000 0.000000 
1 1 1  -16    0   15 o  183.050   6.1708  337.504   22.535 -0.000000 0.000000 
1 1 1  -16    0   16 o  124.604   7.7907  157.988   19.258 -0.000000 0.000000 
1 1 1  -16    0   17 o  134.859   7.3994  184.541   19.831 -0.000000 0.000000 
1 1 1  -16    0   18 o   70.129   16.847   58.653   20.476 -0.000000 0.000000 
1 1 1  -16    0   19 o  279.708   5.7958  784.928   32.391 -0.000000 0.000000 
1 1 1  -16    0   20 o  243.786   5.8062  597.167   28.274 -0.000000 0.000000 
1 1 1  -16    0   21 o  138.970   7.7266  196.519   21.336 -0.000000 0.000000 
1 1 1  -16    0   22 f   19.481   13.700 -17.1538   19.352 -0.000000 0.000000 
1 1 1  -16    0   23 o   68.852   16.834   56.223   20.061 -0.000000 0.000000 
1 1 1  -16    0   24 o  167.758   7.0889  284.963   23.693 -0.000000 0.000000 
1 1 1  -16    0   25 o   17.994   13.041 -37.4915   22.967 -0.000000 0.000000 
1 1 1  -16    0   26 o  119.637   10.329  148.811   24.362 -0.000000 0.000000 
1 1 1  -16    0   27 o   52.388   22.226   41.071   23.468 -0.000000 0.000000 
1 1 1  -16    0   28 o  113.278   10.992  133.936   24.473 -0.000000 0.000000 
1 1 1  -16    0   29 o  100.615   12.667  108.540   24.833 -0.000000 0.000000 
1 1 1  -16    1    4 o  200.875   5.9472  405.038   23.893      ?      ? 
1 1 1  -16    1    5 o  127.033   5.6840  162.547   14.440 -0.2921219 11.36803 
1 1 1  -16    1    6 o  201.958   4.0747  409.307   16.456 -5.041748 8.149495 
1 1 1  -16    1    7 o  129.766   5.6905  170.089   14.731 9.874855 11.38091 
1 1 1  -16    1    8 o   81.830   9.0156   69.775   14.291 -12.06420 18.03123 
1 1 1  -16    1    9 f  100.566   6.6982  102.587   13.436 -9.076424 13.39633 
1 1 1  -16    1   10 o   92.814   7.0632   87.423   13.104 3.706154 14.12637 
1 1 1  -16    1   11 o  121.463   5.7244  149.057   13.859 13.13560 11.44888 
1 1 1  -16    1   12 o  148.557   4.9035  222.819   14.567 3.196777 9.806980 
1 1 1  -16    1   13 o  114.190   6.3701  131.767   14.415 -20.17744 12.74018 
1 1 1  -16    1   14 o  266.288   3.7888  697.675   19.998 -41.26402 7.577516 
1 1 1  -16    1   15 o   50.485   8.1308   2.3207   13.916 59.59438 16.26154 
1 1 1  -16    1   16 o  116.156   5.7095  136.979   13.199 -13.86971 11.41895 
1 1 1  -16    1   17 f  206.418   3.9250  428.759   16.202 -4.266846 7.850034 
1 1 1  -16    1   18 o  124.411   6.0545  158.735   15.062 3.145569 12.10902 
1 1 1  -16    1   19 o  161.628   5.1700  262.766   16.677 -14.16492 10.34010 
1 1 1  -16    1   20 o   43.400   11.744   10.005   15.489 17.49131 23.48841 
1 1 1  -16    1   21 o  150.262   5.1813  229.227   15.571 -0.7388611 10.36266 
1 1 1  -16    1   22 o  124.099   5.9616  156.819   14.790 -5.325714 11.92311 
1 1 1  -16    1   23 f  124.672   6.1431  158.036   15.277 -0.6023102 12.28616 
1 1 1  -16    1   24 o   37.822   11.340   2.2066   15.025 -7.050556 22.67928 
1 1 1  -16    1   25 o  115.891   6.9578  138.349   16.114 -0.7176208E-01 13.91564 
1 1 1  -16    1   26 o   83.363   10.088   74.497   16.259 -20.80470 20.17629 
1 1 1  -16    1   27 o   84.401   9.7880   77.200   15.903 10.25443 19.57596 
1 1 1  -16    1   28 f  104.464   7.6400  112.652   15.945 4.216660 15.28009 
1 1 1  -16    1   29 o  119.674   9.2835  147.412   22.220      ?      ? 
1 1 1  -16    2    4 o  170.655   6.4385  292.548   21.975      ?      ? 
1 1 1  -16    2    5 o  186.722   4.2618  350.266   15.907 -5.133224 8.523551 
1 1 1  -16    2    6 o  149.311   4.9946  224.146   14.909 2.400925 9.989123 
1 1 1  -16    2    7 f  140.528   5.2950  199.115   14.860 8.163788 10.59002 
1 1 1  -16    2    8 o  263.121   3.8380  694.991   20.194 -5.699097 7.675945 
1 1 1  -16    2    9 o  102.455   6.7109  106.404   13.745 2.951370 13.42188 
1 1 1  -16    2   10 o  126.228   5.3669  160.646   13.546 1.033020 10.73372 
1 1 1  -16    2   11 o  219.510   3.8981  484.277   17.101 10.47008 7.796173 
1 1 1  -16    2   12 o   31.455   10.099 -10.5274   13.920 -2.263674 20.19871 
1 1 1  -16    2   13 o  171.296   4.7183  298.643   15.928 29.19519 9.436581 
1 1 1  -16    2   14 f  184.252   4.4846  327.725   15.971 -67.49245 8.969117 
1 1 1  -16    2   15 o  115.590   6.2885  136.325   14.502 0.6623764 12.57709 
1 1 1  -16    2   16 o   30.224   9.6848 -13.8313   13.108 -10.42691 19.36950 
1 1 1  -16    2   17 o  226.030   3.9107  514.244   17.663 12.15764 7.821396 
1 1 1  -16    2   18 o  102.320   7.7257  111.069   15.218 34.93036 15.45139 
1 1 1  -16    2   19 o  202.247   4.8749  392.492   18.552 -98.05151 9.749751 
1 1 1  -16    2   20 o  135.231   6.1816  186.668   16.424 32.67888 12.36311 
1 1 1  -16    2   21 f   54.470   12.011   32.388   14.604 -6.223797 24.02201 
1 1 1  -16    2   22 o   73.316   10.132   58.326   14.313 4.560638 20.26466 
1 1 1  -16    2   23 o   35.839   10.961  -0.8305   14.556 2.901131 21.92134 
1 1 1  -16    2   24 o   65.365   11.151   47.675   14.757 -21.47503 22.30277 
1 1 1  -16    2   25 o  129.079   6.0729  170.958   15.602 -5.390686 12.14579 
1 1 1  -16    2   26 o  149.699   5.4421  229.095   16.261 -7.552490 10.88428 
1 1 1  -16    2   27 o  206.817   4.4579  432.303   18.424 11.32823 8.915822 
1 1 1  -16    2   28 o   80.952   9.8692   69.840   15.562 11.23638 19.73833 
1 1 1  -16    2   29 o   89.877   8.5841   85.723   15.304 -10.74354 17.16812 
1 1 1  -16    3    4 o  171.497   6.3410  295.435   21.749      ?      ? 
1 1 1  -16    3    5 o  147.317   7.0815  218.283   20.864      ?      ? 
1 1 1  -16    3    6 o   69.334   10.216   51.054   13.698 -1.221451 20.43164 
1 1 1  -16    3    7 o   94.712   7.6930   92.872   14.150 -26.05151 15.38597 
1 1 1  -16    3    8 f  146.096   5.0116  214.928   14.619 -0.4756317 10.02318 
1 1 1  -16    3    9 o  170.411   4.4427  291.282   15.117 -8.013596 8.885394 
1 1 1  -16    3   10 o   58.331   11.013   36.400   13.289 12.73650 22.02685 
1 1 1  -16    3   11 o  134.533   5.3945  183.074   14.447 2.963135 10.78906 
1 1 1  -16    3   13 o  232.400   4.0064  539.625   18.552 -8.430573 8.012723 
1 1 1  -16    3   14 o  195.070   4.2647  381.827   16.616 3.191696 8.529469 
1 1 1  -16    3   15 o  183.768   4.4080  341.505   16.186 1.621063 8.815941 
1 1 1  -16    3   16 o  134.173   5.1912  182.414   13.890 8.773804 10.38248 
1 1 1  -16    3   17 o  118.707   5.8242  142.919   13.822 1.323143 11.64845 
1 1 1  -16    3   18 o   22.876   8.0433 -47.4157   14.246 4.919359 16.08658 
1 1 1  -16    3   19 f  227.204   4.1328  518.272   18.754 -14.14407 8.265657 
1 1 1  -16    3   20 o   29.562   9.8802 -22.1399   15.316 -0.7490444 19.76032 
1 1 1  -16    3   21 o  109.933   6.7281  123.461   14.754 9.062286 13.45612 
1 1 1  -16    3   22 o   93.172   7.9944   90.696   14.625 -18.74770 15.98885 
1 1 1  -16    3   23 o  133.230   5.8080  180.892   15.444 -11.43692 11.61602 
1 1 1  -16    3   24 o   83.052   9.3725   73.347   15.167 -8.717491 18.74498 
1 1 1  -16    3   25 o   88.386   8.7857   81.772   15.510 0.4838333 17.57132 
1 1 1  -16    3   26 f  126.131   6.4473  164.602   16.162 -8.628593 12.89465 
1 1 1  -16    3   27 o  106.542   7.3547  117.340   15.659 0.3298569 14.70936 
1 1 1  -16    3   28 o  168.027   7.2167  286.097   24.252      ?      ? 
1 1 1  -16    3   29 o   39.677   11.673   7.8882   15.415 -4.451939 23.34610 
1 1 1  -16    4    3 o  184.824   6.0372  342.997   22.317      ?      ? 
1 1 1  -16    4    4 o  141.140   7.3712  200.452   20.807      ?      ? 
1 1 1  -16    4    5 o  128.973   7.9418  167.590   20.486      ?      ? 
1 1 1  -16    4    6 f  176.901   4.4386  314.494   15.703 2.150192 8.877155 
1 1 1  -16    4    7 f   62.754   11.029   42.296   13.795 -2.414967 22.05807 
1 1 1  -16    4    8 o   37.948   11.080   5.0808   13.681 0.8686981 22.16027 
1 1 1  -16    4    9 o   58.387   11.041   36.983   13.642 18.20208 22.08229 
1 1 1  -16    4   10 o  101.587   6.6386  104.767   13.433 11.15548 13.27722 
1 1 1  -16    4   11 o  217.950   4.0156  478.378   17.482 11.40700 8.031219 
1 1 1  -16    4   13 o  313.459   3.9668  983.982   24.861 10.54938 7.933658 
1 1 1  -16    4   14 o   51.140   10.802   22.516   14.670 33.24426 21.60470 
1 1 1  -16    4   15 o   37.465   10.488  -0.0459   13.684 -20.60960 20.97578 
1 1 1  -16    4   16 f  177.667   4.1510  318.204   14.725 -12.07959 8.302097 
1 1 1  -16    4   17 o  121.259   5.5781  149.563   13.471 -10.41639 11.15624 
1 1 1  -16    4   18 o  225.650   3.9234  514.961   17.705 3.268280 7.846874 
1 1 1  -16    4   19 o  256.969   3.9761  657.828   20.357 29.68678 7.952131 
1 1 1  -16    4   20 o  169.386   5.0076  290.483   16.939 -12.93744 10.01527 
1 1 1  -16    4   21 o   25.078   8.6770 -37.0017   14.568 0.2012253E-02 17.35391 
1 1 1  -16    4   22 f  110.457   6.7680  124.755   14.901 -8.557289 13.53596 
1 1 1  -16    4   23 o   32.711   10.447  -8.7365   14.638 5.003922 20.89348 
1 1 1  -16    4   24 o   92.895   8.2903   90.233   15.280 -10.14365 16.58059 
1 1 1  -16    4   25 o  147.320   5.6423  220.944   16.612 7.934753 11.28466 
1 1 1  -16    4   26 o  113.465   7.3555  134.218   16.617 -10.11906 14.71090 
1 1 1  -16    4   27 o  108.759   7.3184  122.486   15.875 10.10078 14.63688 
1 1 1  -16    4   28 o  122.380   6.5104  152.988   15.934 1.246307 13.02075 
1 1 1  -16    4   29 o  105.000   7.3646  118.720   15.431 -7.760826 14.72920 
1 1 1  -16    5    3 o  163.490   6.6030  268.647   21.591      ?      ? 
1 1 1  -16    5    4 o  353.663   5.8082  1255.82   41.083      ?      ? 
1 1 1  -16    5    5 o  231.930   5.5485  539.994   25.737      ?      ? 
1 1 1  -16    5    6 o  109.366   6.6200  120.996   14.475 -3.960144 13.24005 
1 1 1  -16    5    7 o   41.614   10.911   10.576   13.295 -17.27409 21.82228 
1 1 1  -16    5    8 o   81.488   8.0694   67.647   13.148 1.556465 16.13872 
1 1 1  -16    5    9 o  148.338   4.8820  221.266   14.473 -7.219849 9.764016 
1 1 1  -16    5   10 o  213.627   3.9092  458.608   16.702 -1.799942 7.818478 
1 1 1  -16    5   11 o   65.515   10.838   46.908   13.982 -7.844292 21.67655 
1 1 1  -16    5   12 o  199.801   4.3303  401.542   17.267 9.533600 8.660634 
1 1 1  -16    5   13 o  278.233   3.9794  752.477   21.809 58.86182 7.958839 
1 1 1  -16    5   14 o  107.157   7.2901  117.663   15.555 11.48357 14.58023 
1 1 1  -16    5   15 o   62.808   10.117   43.213   13.492 -34.73357 20.23305 
1 1 1  -16    5   16 o  111.714   6.0961  127.156   13.576 -6.764557 12.19222 
1 1 1  -16    5   17 o  104.505   6.5451  110.887   13.584 5.978035 13.09018 
1 1 1  -16    5   18 o  113.576   6.6372  133.547   14.766 -20.87606 13.27431 
1 1 1  -16    5   19 o  332.756   4.1425  1112.02   27.567 -4.540527 8.285034 
1 1 1  -16    5   20 o  231.901   4.1544  543.030   19.244 -0.2236481 8.308836 
1 1 1  -16    5   21 o   58.465   11.541   38.489   14.159 -9.206718 23.08133 
1 1 1  -16    5   22 o  221.851   4.0855  494.256   18.087 7.304352 8.170987 
1 1 1  -16    5   23 o   28.240   9.4942 -23.7359   14.588 5.306332 18.98833 
1 1 1  -16    5   24 o  115.802   6.6058  137.428   15.241 1.445175 13.21169 
1 1 1  -16    5   25 o   98.201   8.0293  100.656   15.663 -4.444885 16.05869 
1 1 1  -16    5   26 o   85.552   9.2679   76.788   15.777 8.626701 18.53590 
1 1 1  -16    5   27 f   67.011   11.507   50.832   15.330 -8.783016 23.01348 
1 1 1  -16    5   28 o  110.206   7.1974  125.637   15.660 20.77534 14.39488 
1 1 1  -16    6    3 o  198.925   5.8348  397.365   23.214      ?      ? 
1 1 1  -16    6    4 o  106.852   9.1086  115.388   19.465      ?      ? 
1 1 1  -16    6    5 o  117.008   8.4955  138.255   19.881      ?      ? 
1 1 1  -16    6    6 o  195.546   4.0228  383.617   15.701 4.191925 8.045675 
1 1 1  -16    6    7 f  132.872   5.3307  178.097   14.159 2.221191 10.66139 
1 1 1  -16    6    8 o  220.867   3.8200  489.570   16.868 5.829697 7.640047 
1 1 1  -16    6    9 o  245.089   3.7911  603.347   18.581 -4.682236 7.582232 
1 1 1  -16    6   10 o  256.829   3.9237  662.886   20.145 -9.284897 7.847353 
1 1 1  -16    6   11 o  148.895   5.2104  223.671   15.514 2.921555 10.42078 
1 1 1  -16    6   12 o  386.552   4.3544  1497.18   33.654 6.816803 8.708804 
1 1 1  -16    6   13 o  299.296   4.0801  882.419   24.204 44.51251 8.160127 
1 1 1  -16    6   14 o   29.659   9.7138 -14.0623   13.639 0.4205647 19.42767 
1 1 1  -16    6   15 o   49.394   11.292   25.055   12.969 -8.643398 22.58476 
1 1 1  -16    6   16 o  162.378   4.3627  261.544   14.011 16.50728 8.725327 
1 1 1  -16    6   17 f   52.440   10.595   32.262   13.283 -26.11307 21.18979 
1 1 1  -16    6   18 o  134.577   5.8713  169.940   15.226 46.91862 11.74269 
1 1 1  -16    6   19 o   40.946   11.384  -9.7668   15.484 32.44740 22.76854 
1 1 1  -16    6   20 f   42.269   11.862   12.506   14.827 -0.9782295 23.72380 
1 1 1  -16    6   21 o   58.299   11.500   35.821   14.270 20.42523 22.99958 
1 1 1  -16    6   22 o  191.494   4.5535  372.818   17.298 -22.23517 9.106921 
1 1 1  -16    6   23 o  107.375   7.3144  118.158   15.601 17.66833 14.62888 
1 1 1  -16    6   24 o  114.854   6.8415  135.121   15.672 11.36612 13.68306 
1 1 1  -16    6   25 o   32.546   10.520 -11.5151   15.375 -1.600290 21.04064 
1 1 1  -16    6   26 o   81.966   9.9500   73.783   15.612 -15.04200 19.90008 
1 1 1  -16    6   27 o  119.656   9.0552  146.715   21.670      ?      ? 
1 1 1  -16    6   28 o   67.559   11.315   51.593   15.330 -20.01902 22.63076 
1 1 1  -16    7    2 o  276.269   5.4441  766.186   30.081      ?      ? 
1 1 1  -16    7    3 f  138.245   7.4416  192.544   20.575      ?      ? 
1 1 1  -16    7    4 o   78.838   12.481   63.519   19.679      ?      ? 
1 1 1  -16    7    5 o  161.328   6.7357  261.991   21.733      ?      ? 
1 1 1  -16    7    6 o  127.290   5.5006  162.004   13.939 12.65231 11.00126 
1 1 1  -16    7    7 o   83.481   7.6816   71.196   12.765 -7.636421 15.36315 
1 1 1  -16    7    8 o  121.938   5.5483  150.229   13.498 10.45034 11.09660 
1 1 1  -16    7    9 o  188.686   4.2873  358.480   16.168 1.590729 8.574617 
1 1 1  -16    7   10 o   58.711   11.887   37.420   14.670 0.1169357 23.77314 
1 1 1  -16    7   11 o  237.842   4.0117  567.371   19.052 -1.667953 8.023314 
1 1 1  -16    7   12 o  370.066   4.3051  1372.59   31.842 0.7055054 8.610128 
1 1 1  -16    7   13 o  102.508   7.7056  112.937   14.914 -20.59731 15.41122 
1 1 1  -16    7   14 o   79.662   9.4988   72.574   13.763 -34.09054 18.99768 
1 1 1  -16    7   15 o  181.875   4.1034  333.379   14.758 -1.108765 8.206844 
1 1 1  -16    7   16 o   28.978   9.4712 -13.3264   12.880 0.1586533 18.94238 
1 1 1  -16    7   17 o   39.199   11.225   8.3654   13.430 6.253052 22.44989 
1 1 1  -16    7   18 o  235.681   4.1935  565.958   19.461 -32.99147 8.387086 
1 1 1  -16    7   20 o   51.913   12.049   26.640   14.321 15.22583 24.09811 
1 1 1  -16    7   21 o   88.464   9.2095   90.832   14.264 -38.20070 18.41896 
1 1 1  -16    7   22 o  173.380   4.7838  301.349   16.393 11.68578 9.567557 
1 1 1  -16    7   23 o  251.171   4.0715  635.622   20.366 3.700790 8.142933 
1 1 1  -16    7   24 o  126.177   6.2005  162.361   15.545 3.644318 12.40091 
1 1 1  -16    7   25 o   44.870   12.105   17.274   14.987 5.151371 24.21091 
1 1 1  -16    7   26 o   71.207   10.789   57.250   15.152 -21.56841 21.57852 
1 1 1  -16    7   27 o   92.112   8.4530   87.949   15.547 1.863914 16.90608 
1 1 1  -16    7   28 o   88.898   8.9938   83.527   15.949 -5.216835 17.98762 
1 1 1  -16    8    2 o  169.660   6.3286  289.504   21.474      ?      ? 
1 1 1  -16    8    3 o  309.107   5.5107  959.716   34.068      ?      ? 
1 1 1  -16    8    4 o  256.923   5.5371  663.073   28.452      ?      ? 
1 1 1  -16    8    5 o  150.277   7.4134  227.649   22.281      ?      ? 
1 1 1  -16    8    6 o   95.613   6.9792   91.332   13.240 11.94457 13.95842 
1 1 1  -16    8    7 o   90.037   11.010   82.575   19.825      ?      ? 
1 1 1  -16    8    8 o  153.658   4.8221  238.596   14.753 -3.922043 9.644139 
1 1 1  -16    8    9 o  305.449   4.0170  937.326   24.506 11.25339 8.033968 
1 1 1  -16    8   10 o  173.634   6.8895  302.841   23.925      ?      ? 
1 1 1  -16    8   11 o  249.482   4.0669  618.944   20.093 -49.27756 8.133892 
1 1 1  -16    8   12 o   84.649   8.3124   97.935   15.358 -105.5923 16.62475 
1 1 1  -16    8   13 f   47.972   11.483   22.614   14.360 -17.01424 22.96668 
1 1 1  -16    8   14 o  334.273   3.9706  1115.32   26.345 20.55679 7.941156 
1 1 1  -16    8   15 o  114.805   6.0913  133.966   13.786 -1.101166 12.18254 
1 1 1  -16    8   16 o  295.332   3.8741  861.847   22.428 34.96860 7.748106 
1 1 1  -16    8   17 o  116.545   8.1773  165.264   14.875 -77.00964 16.35458 
1 1 1  -16    8   18 o   74.307   10.726   58.402   14.950 3.719643 21.45194 
1 1 1  -16    8   19 o   25.422   8.8361 -37.2731   14.259 7.025816 17.67225 
1 1 1  -16    8   21 o  280.474   3.9463  792.547   22.104 -9.845215 7.892567 
1 1 1  -16    8   22 o   98.396   7.9432   98.585   15.367 25.06683 15.88644 
1 1 1  -16    8   23 o   57.780   11.789   35.687   14.692 18.09035 23.57752 
1 1 1  -16    8   24 o   40.876   11.668   8.2616   14.932 11.03069 23.33548 
1 1 1  -16    8   25 o   29.642   9.9018 -21.3298   15.201 4.755442 19.80366 
1 1 1  -16    8   26 o  105.126   9.9204  114.061   20.858      ?      ? 
1 1 1  -16    8   27 o   97.294   8.0341   97.709   15.627 3.787582 16.06822 
1 1 1  -16    8   28 o   92.157   8.8892   95.336   15.171 37.22160 17.77845 
1 1 1  -16    9    1 o  151.012   6.7278  229.566   20.320      ?      ? 
1 1 1  -16    9    2 o  123.303   7.9276  153.439   19.550      ?      ? 
1 1 1  -16    9    3 o  154.110   6.7120  239.063   20.688      ?      ? 
1 1 1  -16    9    4 o  114.849   8.9550  133.452   20.569      ?      ? 
1 1 1  -16    9    5 o  220.312   5.7485  487.778   25.329      ?      ? 
1 1 1  -16    9    6 o  157.684   6.9372  250.574   21.878      ?      ? 
1 1 1  -16    9    7 o   31.360   9.8853 -11.5544   13.613 -10.05344 19.77060 
1 1 1  -16    9    8 o   98.214   7.8312  102.015   14.852 -22.61121 15.66232 
1 1 1  -16    9    9 o  354.571   6.0277  1261.40   42.745      ?      ? 
1 1 1  -16    9   10 o  227.805   4.1934  518.685   19.027 -28.95262 8.386838 
1 1 1  -16    9   11 o  201.045   4.3934  406.586   17.559 -3.283356 8.786810 
1 1 1  -16    9   12 o  161.085   4.9532  261.591   15.787 5.458450 9.906455 
1 1 1  -16    9   13 o  209.741   3.9890  435.943   16.476 17.01620 7.977976 
1 1 1  -16    9   14 o   30.243   9.7132 -11.8926   13.291 -5.486864 19.42640 
1 1 1  -16    9   15 o  127.703   5.6214  163.256   13.813 6.954323 11.24284 
1 1 1  -16    9   16 o   25.946   8.8591 -30.1388   13.967 -0.9433708 17.71816 
1 1 1  -16    9   17 o  197.145   4.6588  406.007   17.383 -73.22687 9.317671 
1 1 1  -16    9   18 o   75.564   10.250   61.122   14.658 -0.3664169 20.49962 
1 1 1  -16    9   19 o   91.131   8.0738   84.897   14.416 6.855293 16.14758 
1 1 1  -16    9   20 o  101.619   7.0852  103.191   14.216 15.43115 14.17034 
1 1 1  -16    9   21 o   53.118   10.922   29.897   14.458 -29.53600 21.84481 
1 1 1  -16    9   22 o  134.618   5.7020  183.227   15.112 4.823914 11.40407 
1 1 1  -16    9   23 o   79.617   9.6245   70.276   14.385 -16.30169 19.24909 
1 1 1  -16    9   24 o   83.851   8.8765   73.533   14.736 2.898285 17.75295 
1 1 1  -16    9   25 o   52.355   12.191   29.709   14.837 -3.995583 24.38173 
1 1 1  -16    9   26 o   39.930   11.120   7.1012   14.565 -15.21522 22.23966 
1 1 1  -16    9   27 o  148.917   5.1832  224.307   15.333 3.904480 10.36643 
1 1 1  -16   10    1 o  326.717   5.5977  1072.39   36.577      ?      ? 
1 1 1  -16   10    2 o  272.294   5.3677  744.640   29.232      ?      ? 
1 1 1  -16   10    3 o  163.560   6.4656  269.240   21.150      ?      ? 
1 1 1  -16   10    4 o  198.694   5.9030  397.046   23.458      ?      ? 
1 1 1  -16   10    5 o   70.109   14.585   52.845   19.774      ?      ? 
1 1 1  -16   10    6 o   51.936   17.034   27.995   20.414      ?      ? 
1 1 1  -16   10    7 o  169.174   4.6732  288.601   15.781 -11.07172 9.346375 
1 1 1  -16   10    8 o  227.980   5.7792  521.059   26.351      ?      ? 
1 1 1  -16   10    9 o  201.634   4.3403  407.645   17.492 -7.954239 8.680618 
1 1 1  -16   10   10 o  181.269   4.5861  329.272   16.602 12.43854 9.172192 
1 1 1  -16   10   11 o   54.436   11.140   33.302   13.851 -20.99012 22.27964 
1 1 1  -16   10   12 o  194.644   4.0139  378.416   15.435 8.616791 8.027788 
1 1 1  -16   10   13 o  108.761   6.2164  120.615   13.332 -2.545471 12.43272 
1 1 1  -16   10   14 o   46.480   11.478   17.774   13.114 17.99218 22.95530 
1 1 1  -16   10   15 o   68.772   10.637   53.515   13.956 -9.093727 21.27456 
1 1 1  -16   10   16 o  200.972   4.3422  399.711   16.972 11.27394 8.684411 
1 1 1  -16   10   17 o  167.941   5.0840  280.922   16.629 10.95244 10.16792 
1 1 1  -16   10   18 o  228.395   4.0638  519.848   18.277 15.48021 8.127633 
1 1 1  -16   10   19 f   33.988   10.544  -2.3528   13.710 -1.019897 21.08724 
1 1 1  -16   10   20 o  164.612   4.8797  276.953   15.859 -21.61043 9.759374 
1 1 1  -16   10   21 o   53.298   10.767   30.691   14.635 -33.03491 21.53499 
1 1 1  -16   10   22 o  122.955   6.0830  156.751   14.628 -11.19088 12.16598 
1 1 1  -16   10   23 o   33.017   10.136  -8.6232   14.030 -13.41224 20.27285 
1 1 1  -16   10   24 o  161.225   5.0031  263.562   16.037 5.187027 10.00626 
1 1 1  -16   10   25 o   47.682   11.652   21.834   14.630 -16.86828 23.30486 
1 1 1  -16   10   26 o  171.445   4.6859  295.896   15.998 7.831345 9.371828 
1 1 1  -16   10   27 o   44.408   11.373   17.854   13.443 12.76032 22.74502 
1 1 1  -16   11    1 o  209.461   5.6606  441.299   23.713      ?      ? 
1 1 1  -16   11    2 o  247.099   5.4496  614.086   26.932      ?      ? 
1 1 1  -16   11    3 o  157.441   6.7818  250.254   21.355      ?      ? 
1 1 1  -16   11    4 o  112.224   8.8886  128.009   19.950      ?      ? 
1 1 1  -16   11    5 o  187.257   5.9354  352.573   22.229      ?      ? 
1 1 1  -16   11    6 o  207.031   5.7612  429.884   23.855      ?      ? 
1 1 1  -16   11    7 o  281.574   5.4326  794.254   30.594      ?      ? 
1 1 1  -16   11    8 o  213.934   4.2203  457.921   17.862 42.75261 8.440591 
1 1 1  -16   11    9 o  109.987   6.9699  124.636   14.792 -36.23311 13.93981 
1 1 1  -16   11   10 o   57.462   16.417   36.412   19.812      ?      ? 
1 1 1  -16   11   11 o   88.254   7.1847   78.868   12.508 3.427704 14.36934 
1 1 1  -16   11   12 o  106.839   5.9071  116.115   12.486 -2.117851 11.81414 
1 1 1  -16   11   13 f  104.259   6.2735  110.948   12.951 -2.997971 12.54710 
1 1 1  -16   11   15 o  152.658   4.9771  234.719   15.067 -2.870361 9.954273 
1 1 1  -16   11   16 o  173.325   4.6350  298.708   15.882 13.74721 9.270077 
1 1 1  -16   11   17 o   45.147   11.571   18.405   14.236 -11.91226 23.14173 
1 1 1  -16   11   18 o   23.823   8.2678 -37.0725   13.637 -0.8121262 16.53569 
1 1 1  -16   11   19 f  174.619   4.4975  300.071   15.454 22.88843 8.995065 
1 1 1  -16   11   20 o   48.599   11.709   20.602   14.090 20.91323 23.41712 
1 1 1  -16   11   21 o  116.698   6.4766  138.839   15.026 3.219269 12.95325 
1 1 1  -16   11   22 o   70.338   10.621   54.336   14.327 1.765129 21.24147 
1 1 1  -16   11   23 o   29.516   9.7625 -17.1678   14.221 3.767679 19.52490 
1 1 1  -16   11   24 o  137.608   7.6889  192.947   21.161      ?      ? 
1 1 1  -16   11   25 o   73.987   10.153   58.837   14.704 14.54205 20.30671 
1 1 1  -16   11   26 o   82.626   8.9573   71.195   14.800 0.1355438 17.91451 
1 1 1  -16   12    1 o  198.649   5.8285  396.620   23.156      ?      ? 
1 1 1  -16   12    2 o  154.889   6.9520  241.354   21.536      ?      ? 
1 1 1  -16   12    3 o  146.503   7.4096  215.752   21.711      ?      ? 
1 1 1  -16   12    4 o  179.611   6.0657  323.444   21.789      ?      ? 
1 1 1  -16   12    5 o  231.773   5.3664  538.098   24.876      ?      ? 
1 1 1  -16   12    6 f  213.514   5.5317  456.792   23.622      ?      ? 
1 1 1  -16   12    7 o  170.081   6.3598  290.608   21.634      ?      ? 
1 1 1  -16   12    8 o  180.404   4.3377  327.766   15.606 -19.38310 8.675463 
1 1 1  -16   12    9 o  119.776   5.7703  147.842   13.566 -24.31552 11.54060 
1 1 1  -16   12   10 o  209.505   5.5805  441.581   23.383      ?      ? 
1 1 1  -16   12   11 o   44.171   10.949   18.684   11.952 -2.267818 21.89753 
1 1 1  -16   12   12 o   51.672   10.717   28.571   12.582 -18.71902 21.43305 
1 1 1  -16   12   13 o  224.423   3.9854  515.567   17.727 -25.43350 7.970855 
1 1 1  -16   12   14 o  119.143   6.2348  144.497   14.645 -8.229935 12.46951 
1 1 1  -16   12   15 o  247.641   3.8938  613.640   19.224 10.56880 7.787560 
1 1 1  -16   12   16 o  211.011   4.0989  450.737   17.231 -7.562424 8.197757 
1 1 1  -16   12   17 o   83.394   8.2571   73.175   13.517 -5.882652 16.51417 
1 1 1  -16   12   18 o  186.587   6.4939  351.668   24.233      ?      ? 
1 1 1  -16   12   19 o   52.212   11.321   29.591   13.740 -16.31054 22.64131 
1 1 1  -16   12   20 o   28.462   9.3276 -20.0437   13.732 -8.712296 18.65525 
1 1 1  -16   12   21 o   88.665   8.1297   80.294   14.257 10.90817 16.25938 
1 1 1  -16   12   22 f  115.435   6.8175  140.454   15.121 -13.23138 13.63496 
1 1 1  -16   12   23 o   28.290   9.5533 -25.4490   14.907 5.278183 19.10664 
1 1 1  -16   12   24 o   77.846   10.074   65.535   15.278 -3.261810 20.14749 
1 1 1  -16   12   25 o  136.138   5.8557  188.520   15.906 0.5728302 11.71137 
1 1 1  -16   12   26 o  110.694   7.0278  126.459   15.501 -13.44870 14.05565 
1 1 1  -16   13    1 o  219.645   4.1284  480.520   18.077 23.23584 8.256895 
1 1 1  -16   13    2 o  214.421   5.8365  460.700   25.029      ?      ? 
1 1 1  -16   13    3 o  272.507   5.3902  744.036   29.377      ?      ? 
1 1 1  -16   13    4 o  127.564   7.6268  163.555   19.458      ?      ? 
1 1 1  -16   13    5 o   44.614   16.190   17.474   18.674      ?      ? 
1 1 1  -16   13    6 o   54.514   16.036   32.481   18.637      ?      ? 
1 1 1  -16   13    7 o  240.486   5.2584  582.217   25.291      ?      ? 
1 1 1  -16   13    8 o  121.443   5.3593  149.778   12.957 -10.00290 10.71869 
1 1 1  -16   13    9 o  148.971   4.4717  223.330   13.297 4.267715 8.943430 
1 1 1  -16   13   10 o   33.970   14.552   0.4021   17.660      ?      ? 
1 1 1  -16   13   11 o   48.028   10.284   23.801   11.709 -20.32814 20.56894 
1 1 1  -16   13   13 o  166.991   4.7128  267.594   14.975 73.59642 9.425640 
1 1 1  -16   13   14 o  177.945   5.1442  293.151   16.086 123.1633 10.28838 
1 1 1  -16   13   15 o  103.298   6.8756  112.300   13.834 -18.37140 13.75125 
1 1 1  -16   13   16 o  153.572   4.7400  239.587   14.501 -4.684097 9.479906 
1 1 1  -16   13   17 o  146.789   4.8986  219.637   14.236 -8.680695 9.797236 
1 1 1  -16   13   18 o  142.743   7.5471  206.113   21.546      ?      ? 
1 1 1  -16   13   19 o  135.380   5.3552  190.197   14.168 -13.72076 10.71036 
1 1 1  -16   13   20 o   92.003   7.6144   87.207   13.737 0.7240982 15.22877 
1 1 1  -16   13   21 o  133.926   5.7084  187.166   14.842 -17.14947 11.41672 
1 1 1  -16   13   22 o   27.431   9.2732 -24.2185   14.252 0.9346371 18.54649 
1 1 1  -16   13   23 o   59.493   11.782   39.781   14.535 -2.833313 23.56403 
1 1 1  -16   13   24 o   65.561   11.339   47.617   14.830 12.27621 22.67821 
1 1 1  -16   13   25 o  100.163   7.6003  103.457   15.209 1.193726 15.20069 
1 1 1  -16   14    1 o  316.780   5.7547  1010.52   36.459      ?      ? 
1 1 1  -16   14    2 o  112.226   9.4612  128.759   21.236      ?      ? 
1 1 1  -16   14    3 o   31.866   14.344  -7.3825   19.214      ?      ? 
1 1 1  -16   14    4 o  114.274   8.4159  132.974   19.234      ?      ? 
1 1 1  -16   14    5 f  227.618   5.2568  521.091   23.931      ?      ? 
1 1 1  -16   14    6 o  192.760   5.4725  373.698   21.097      ?      ? 
1 1 1  -16   14    7 o  190.408   5.4285  364.740   20.673      ?      ? 
1 1 1  -16   14    8 f  171.791   4.0393  297.392   13.860 -3.434250 8.078658 
1 1 1  -16   14    9 o  164.644   4.2072  273.540   13.818 -3.826813 8.414406 
1 1 1  -16   14   10 o   84.228   11.049   74.451   18.613      ?      ? 
1 1 1  -16   14   11 o   54.441   7.1505   15.743   13.012 -68.35056 14.30094 
1 1 1  -16   14   12 o  433.649   6.5851  1887.93   57.113      ?      ? 
1 1 1  -16   14   13 o  297.676   3.8579  886.693   22.915 20.29382 7.715775 
1 1 1  -16   14   14 o   75.442   8.3780   66.385   13.788 -85.70538 16.75600 
1 1 1  -16   14   15 o  117.584   5.7084  143.340   13.186 -19.96031 11.41679 
1 1 1  -16   14   16 o   26.180   12.582 -26.2259   19.184      ?      ? 
1 1 1  -16   14   17 o   96.825   6.7950   93.965   13.055 14.23549 13.58996 
1 1 1  -16   14   18 o  170.065   4.3654  295.032   14.706 -8.957306 8.730789 
1 1 1  -16   14   19 o  171.926   4.3774  298.589   14.905 0.1800232 8.754766 
1 1 1  -16   14   20 o  110.670   6.7834  132.955   14.102 -26.54642 13.56683 
1 1 1  -16   14   21 o   50.960   11.006   28.249   13.998 -24.08216 22.01293 
1 1 1  -16   14   22 o  164.679   6.2449  274.658   20.568      ?      ? 
1 1 1  -16   14   23 o  212.121   4.1597  455.056   17.610 -0.4002380 8.319424 
1 1 1  -16   14   24 o  159.392   4.9750  257.473   15.846 -4.395874 9.949907 
1 1 1  -16   14   25 o   50.185   10.662   23.124   14.452 -35.95326 21.32413 
1 1 1  -16   15    1 o  168.300   6.1547  285.317   20.717      ?      ? 
1 1 1  -16   15    2 o  110.492   8.1939  123.657   18.107      ?      ? 
1 1 1  -16   15    3 o  125.021   7.3789  157.964   18.450      ?      ? 
1 1 1  -16   15    4 o  131.077   7.0973  173.581   18.606      ?      ? 
1 1 1  -16   15    5 o  162.388   5.8814  265.630   19.101      ?      ? 
1 1 1  -16   15    6 o  120.429   7.3103  146.630   17.608      ?      ? 
1 1 1  -16   15    7 o  147.836   6.2237  220.411   18.402      ?      ? 
1 1 1  -16   15    8 o   84.369   7.5809   74.339   12.741 -8.413322 15.16175 
1 1 1  -16   15    9 o   48.773   11.589   25.292   13.377 3.520267 23.17739 
1 1 1  -16   15   10 o   47.585   16.778   20.753   19.926      ?      ? 
1 1 1  -16   15   11 o  241.952   3.9070  587.434   18.897 -3.237137 7.814005 
1 1 1  -16   15   12 o  206.225   5.6838  428.601   23.443      ?      ? 
1 1 1  -16   15   13 o  186.085   4.0648  348.483   15.105 -13.36996 8.129591 
1 1 1  -16   15   14 o   29.203   9.1687 -22.3246   12.607 -19.25649 18.33747 
1 1 1  -16   15   15 o  163.298   4.3842  271.698   14.186 -17.38824 8.768340 
1 1 1  -16   15   16 o  184.542   4.1588  342.110   15.283 4.304199 8.317649 
1 1 1  -16   15   17 o   34.138   9.8243  -1.8396   12.707 -17.01821 19.64869 
1 1 1  -16   15   18 o   90.044   11.375   83.934   20.485      ?      ? 
1 1 1  -16   15   19 o   30.462   9.8471 -10.6950   13.071 6.684856 19.69415 
1 1 1  -16   15   20 o   59.951   11.207   40.539   13.448 -4.233196 22.41446 
1 1 1  -16   15   21 o  119.485   6.1531  145.660   14.453 3.163460 12.30625 
1 1 1  -16   15   22 o  133.009   5.6665  180.586   14.846 -0.4507294 11.33303 
1 1 1  -16   15   23 o   96.366   7.6968   96.409   14.695 -7.594093 15.39353 
1 1 1  -16   15   24 o  175.307   4.6044  311.198   16.104 -17.32141 9.208818 
1 1 1  -16   16    1 o  131.101   6.7287  173.484   17.643      ?      ? 
1 1 1  -16   16    2 o  174.512   5.5960  306.506   19.531      ?      ? 
1 1 1  -16   16    3 o  135.354   6.7489  184.942   18.270      ?      ? 
1 1 1  -16   16    4 o  212.217   5.1874  453.112   22.017      ?      ? 
1 1 1  -16   16    5 o  136.143   6.6778  187.885   18.183      ?      ? 
1 1 1  -16   16    6 o  279.409   5.1213  790.279   28.619      ?      ? 
1 1 1  -16   16    7 o  109.209   8.1668  121.451   17.838      ?      ? 
1 1 1  -16   16    8 f  162.406   4.7878  256.247   15.262 -28.83842 9.575521 
1 1 1  -16   16    9 o  225.021   3.9934  505.551   17.901 -10.89760 7.986731 
1 1 1  -16   16   10 o  114.646   8.8655  133.249   20.328      ?      ? 
1 1 1  -16   16   11 o  137.919   5.0019  195.023   13.646 -17.47166 10.00378 
1 1 1  -16   16   12 o   46.724   9.7285   19.513   12.022 -31.67088 19.45708 
1 1 1  -16   16   13 o   36.422   9.7432   4.1938   11.634 -20.15804 19.48633 
1 1 1  -16   16   14 o  131.961   4.7829  174.401   12.558 11.56387 9.565825 
1 1 1  -16   16   15 o   50.396   10.974   25.804   12.066 10.70848 21.94703 
1 1 1  -16   16   16 f  106.298   6.1569  117.995   12.752 -9.656090 12.31373 
1 1 1  -16   16   17 o   47.012   11.143   20.781   12.335 14.45935 22.28509 
1 1 1  -16   16   18 o  140.902   7.6668  202.177   21.605      ?      ? 
1 1 1  -16   16   19 o   68.760   9.9013   52.584   12.901 -10.63723 19.80264 
1 1 1  -16   16   20 o  110.826   6.2558  125.373   13.558 2.906853 12.51153 
1 1 1  -16   16   21 o   88.898   7.9230   81.630   14.010 5.136757 15.84592 
1 1 1  -16   16   22 o  126.302   8.7377  162.781   22.072      ?      ? 
1 1 1  -16   16   23 o   66.610   10.895   49.581   14.259 -9.816273 21.79066 
1 1 1  -16   17    1 o  128.028   6.8706  167.580   17.593      ?      ? 
1 1 1  -16   17    2 o  209.645   5.1170  444.788   21.455      ?      ? 
1 1 1  -16   17    3 o  129.290   6.7956  169.840   17.572      ?      ? 
1 1 1  -16   17    4 o  109.073   7.8475  120.441   17.119      ?      ? 
1 1 1  -16   17    5 o   90.642   9.3409   83.021   16.934      ?      ? 
1 1 1  -16   17    6 o   71.330   12.917   53.204   17.750      ?      ? 
1 1 1  -16   17    7 o   76.411   9.3675   62.112   13.601 14.15432 18.73494 
1 1 1  -16   17    8 o   74.524   11.935   57.056   17.789      ?      ? 
1 1 1  -16   17    9 o   21.518   7.5779 -44.5741   12.872 -1.852432 15.15582 
1 1 1  -16   17   10 o   62.181   9.5684   41.878   12.114 -30.43176 19.13687 
1 1 1  -16   17   11 o   35.903   9.8680   3.3711   11.744 -18.24342 19.73591 
1 1 1  -16   17   12 o  150.937   4.3094  229.358   12.968 6.026169 8.618884 
1 1 1  -16   17   13 o  109.342   5.7849  122.758   12.468 -11.86388 11.56975 
1 1 1  -16   17   14 o  107.652   5.9108  121.390   12.326 -18.70931 11.82157 
1 1 1  -16   17   15 o   58.466   9.1322   41.202   12.056 -42.87852 18.26445 
1 1 1  -16   17   16 o   57.525   10.346   33.793   12.129 24.25114 20.69223 
1 1 1  -16   17   17 o  162.962   4.3189  267.880   13.847 2.210754 8.637796 
1 1 1  -16   17   18 o   75.394   9.1233   62.526   12.754 -11.14828 18.24656 
1 1 1  -16   17   19 o   39.926   11.070   12.175   12.710 -0.1795731 22.13969 
1 1 1  -16   17   20 o   70.524   9.5967   51.935   13.115 31.52234 19.19335 
1 1 1  -16   17   21 o  128.818   8.0263  168.895   20.679      ?      ? 
1 1 1  -16   17   22 o  146.590   5.0845  218.594   14.837 -5.430054 10.16909 
1 1 1  -16   17   23 o  159.141   5.3040  302.465   16.628 -36.65398 10.60797 
1 1 1  -16   18    1 o  192.462   4.3024  358.605   16.215 -33.06638 8.604716 
1 1 1  -16   18    2 o  252.542   3.8721  579.327   18.518 -76.61160 7.744238 
1 1 1  -16   18    3 o  226.687   4.9546  515.184   22.463      ?      ? 
1 1 1  -16   18    4 o  123.210   6.7389  152.720   16.606      ?      ? 
1 1 1  -16   18    5 o   86.152   9.6057   75.579   16.551      ?      ? 
1 1 1  -16   18    6 o  105.721   8.3668  113.935   17.691      ?      ? 
1 1 1  -16   18    7 o   57.986   9.7855   32.979   13.192 -42.21551 19.57092 
1 1 1  -16   18    8 o  181.342   4.1334  331.318   14.970 -13.31688 8.266813 
1 1 1  -16   18    9 o  159.044   6.0372  255.791   19.204      ?      ? 
1 1 1  -16   18   10 o  128.743   4.9023  167.964   12.620 -3.306816 9.804599 
1 1 1  -16   18   11 o  197.215   5.3340  391.361   21.039      ?      ? 
1 1 1  -16   18   12 o  166.510   4.0367  280.008   13.344 -4.970245 8.073362 
1 1 1  -16   18   13 o   20.792   7.2902 -38.0739   11.638 -1.880093 14.58050 
1 1 1  -16   18   14 o   55.334   9.6316   35.242   11.572 -26.59027 19.26315 
1 1 1  -16   18   15 o  162.373   4.1751  264.391   13.361 6.701553 8.350112 
1 1 1  -16   18   16 o   90.817   6.9601   85.803   12.242 -4.885979 13.92023 
1 1 1  -16   18   17 o   36.326   15.437   3.0078   19.594      ?      ? 
1 1 1  -16   18   18 f   37.591   10.769   8.5431   12.350 1.497845 21.53723 
1 1 1  -16   18   19 o  109.701   6.0759  125.542   12.964 -11.78433 12.15182 
1 1 1  -16   18   20 o   98.532   9.9473   99.738   19.603      ?      ? 
1 1 1  -16   18   21 o   74.144   8.9354   58.191   12.847 -2.021156 17.87073 
1 1 1  -16   18   22 o   94.642   7.4118  104.184   13.417 -32.12257 14.82363 
1 1 1  -16   19    1 o   80.511   9.0528   70.235   13.848 13.87050 18.10562 
1 1 1  -16   19    2 o  112.689   8.0633  129.382   18.173      ?      ? 
1 1 1  -16   19    3 o   90.539   9.5573   84.096   17.306      ?      ? 
1 1 1  -16   19    4 o   94.781   9.2349   91.971   17.506      ?      ? 
1 1 1  -16   19    5 o  148.819   6.2843  223.989   18.704      ?      ? 
1 1 1  -16   19    6 o   94.315   6.8720   93.224   12.250 -39.25112 13.74390 
1 1 1  -16   19    7 o   87.306   9.8639   78.476   17.223      ?      ? 
1 1 1  -16   19    8 o  104.583   5.8626  113.548   12.011 -18.31693 11.72516 
1 1 1  -16   19    9 o  111.079   5.3407  123.742   11.788 17.62890 10.68142 
1 1 1  -16   19   10 o  124.715   7.2671  157.204   18.126      ?      ? 
1 1 1  -16   19   11 o   21.297   7.4706 -36.3135   11.265 6.677019 14.94110 
1 1 1  -16   19   12 o   91.457   9.8210   86.296   17.964      ?      ? 
1 1 1  -16   19   13 o  142.382   4.4245  205.457   12.430 -2.678070 8.848970 
1 1 1  -16   19   14 o  104.034   9.1600  111.081   19.059      ?      ? 
1 1 1  -16   19   15 o  141.756   4.5812  201.738   12.679 5.221817 9.162495 
1 1 1  -16   19   16 f   71.172   14.136   55.670   19.407      ?      ? 
1 1 1  -16   19   17 o   50.012   10.879   27.828   12.249 -10.56555 21.75839 
1 1 1  -16   19   18 o  255.582   4.9935  658.491   25.525      ?      ? 
1 1 1  -16   19   19 o  156.929   6.7109  249.228   21.063      ?      ? 
1 1 1  -16   19   20 o  114.163   5.8289  137.036   12.847 -20.37202 11.65786 
1 1 1  -16   19   21 o   64.074   9.8275   53.740   12.230 -9.311001 19.65491 
1 1 1  -16   20    1 o   43.223   15.781   17.381   17.764      ?      ? 
1 1 1  -16   20    2 o  131.932   6.9096  176.606   18.232      ?      ? 
1 1 1  -16   20    3 o  127.039   7.0717  163.783   17.968      ?      ? 
1 1 1  -16   20    4 f   76.688   11.280   60.883   17.300      ?      ? 
1 1 1  -16   20    5 o   58.854   14.798   37.877   17.414      ?      ? 
1 1 1  -16   20    6 o  161.379   6.0938  262.491   19.668      ?      ? 
1 1 1  -16   20    7 f  124.980   4.9805  151.968   12.180 35.24416 9.960983 
1 1 1  -16   20    8 o  129.571   7.0378  169.828   18.238      ?      ? 
1 1 1  -16   20    9 f   75.414   8.8764   69.520   11.959 -52.61818 17.75271 
1 1 1  -16   20   10 o   81.732   8.2786   76.454   12.006 -33.33783 16.55722 
1 1 1  -16   20   11 o  234.611   5.3505  554.722   25.106      ?      ? 
1 1 1  -16   20   12 o  136.637   4.7416  190.504   12.639 -4.569687 9.483112 
1 1 1  -16   20   13 o  110.364   9.1675  124.915   20.235      ?      ? 
1 1 1  -16   20   14 f   49.347   10.734   27.157   11.894 -10.37407 21.46795 
1 1 1  -16   20   15 o  165.455   6.5999  278.004   21.840      ?      ? 
1 1 1  -16   20   16 o  218.516   3.7514  481.232   16.253 1.237167 7.502853 
1 1 1  -16   20   17 o  145.818   6.0103  215.134   17.528      ?      ? 
1 1 1  -16   20   18 f   99.206   9.8955  100.887   19.634      ?      ? 
1 1 1  -16   20   19 o   57.741   11.053   35.116   12.790 12.75000 22.10585 
1 1 1  -16   20   20 o   78.294   7.9110  197.075   14.805 -98.56551 15.82198 
1 1 1  -16   21    1 o  223.044   5.2987  500.240   23.637      ?      ? 
1 1 1  -16   21    2 o  133.823   7.0288  180.826   18.812      ?      ? 
1 1 1  -16   21    3 o  131.176   7.0047  173.780   18.377      ?      ? 
1 1 1  -16   21    4 o  107.513   8.3150  117.397   17.880      ?      ? 
1 1 1  -16   21    5 o   66.453   13.987   48.140   18.004      ?      ? 
1 1 1  -16   21    6 o   55.141   9.5014   35.508   11.663 -30.64917 19.00288 
1 1 1  -16   21    7 o  105.405   8.6411  113.942   18.216      ?      ? 
1 1 1  -16   21    8 o  254.571   3.5423  649.643   17.957 11.64407 7.084613 
1 1 1  -16   21    9 o  122.336   5.2143  153.626   12.549 -9.184479 10.42855 
1 1 1  -16   21   10 o  261.737   5.3094  691.114   27.793      ?      ? 
1 1 1  -16   21   11 o   93.872   6.7380   91.718   12.186 -5.658913 13.47591 
1 1 1  -16   21   12 o   86.385   11.820   77.913   20.422      ?      ? 
1 1 1  -16   21   13 o  176.356   4.1231  310.455   14.127 9.373596 8.246153 
1 1 1  -16   21   14 o  103.616   9.8778  110.815   20.470      ?      ? 
1 1 1  -16   21   15 o   82.163   7.4085   69.056   11.838 3.414307 14.81693 
1 1 1  -16   21   16 o   78.955   12.220   65.073   19.297      ?      ? 
1 1 1  -16   21   17 o  114.096   5.7892  130.889   12.826 4.960068 11.57830 
1 1 1  -16   21   18 o   91.428   7.3799   90.068   12.780 -14.99055 14.75979 
1 1 1  -16   22    1 o  127.378   7.1807  165.139   18.293      ?      ? 
1 1 1  -16   22    2 f  209.617   5.2467  443.356   21.996      ?      ? 
1 1 1  -16   22    3 o  159.232   6.0605  256.354   19.300      ?      ? 
1 1 1  -16   22    4 o  116.739   7.9041  138.643   18.454      ?      ? 
1 1 1  -16   22    5 o   87.592   10.235   78.918   17.929      ?      ? 
1 1 1  -16   22    6 o   99.478   8.8344  101.205   17.577      ?      ? 
1 1 1  -16   22    7 o  121.342   5.0375  149.257   12.134 1.872292 10.07500 
1 1 1  -16   22    8 o  173.503   3.9474  303.518   13.574 1.521500 7.894857 
1 1 1  -16   22    9 o  195.747   5.6764  386.922   22.223      ?      ? 
1 1 1  -16   22   10 o  153.277   4.2793  231.316   12.805 17.95172 8.558537 
1 1 1  -16   22   11 o  100.594   10.214  104.925   20.548      ?      ? 
1 1 1  -16   22   12 o  129.777   5.1666  173.948   12.722 -7.193764 10.33327 
1 1 1  -16   22   13 o  120.752   8.7017  149.244   21.015      ?      ? 
1 1 1  -16   22   14 o  161.648   4.2258  265.562   13.363 -4.362366 8.451693 
1 1 1  -16   22   15 o  113.035   8.5633  130.174   19.359      ?      ? 
1 1 1  -16   22   16 o   89.010   7.2701   81.313   12.691 0.8488388 14.54010 
1 1 1  -16   22   17 o   72.671   10.161   59.550   13.910 0.2841415 20.32243 
1 1 1  -16   23    1 o  117.923   7.6806  141.631   18.114      ?      ? 
1 1 1  -16   23    2 o   92.819   9.4980   88.593   17.632      ?      ? 
1 1 1  -16   23    3 o  155.923   6.2805  246.111   19.586      ?      ? 
1 1 1  -16   23    4 o  225.142   5.2182  511.125   23.497      ?      ? 
1 1 1  -16   23    5 o  102.972   8.5842  108.401   17.679      ?      ? 
1 1 1  -16   23    6 o   98.648   9.0803   99.788   17.915      ?      ? 
1 1 1  -16   23    7 o   51.835   10.407   30.249   11.387 -8.649902 20.81465 
1 1 1  -16   23    8 o  101.004   9.8144  105.438   19.826      ?      ? 
1 1 1  -16   23    9 f  123.003   5.4353  157.483   12.563 -8.473808 10.87066 
1 1 1  -16   23   10 o  148.850   7.5626  225.592   22.514      ?      ? 
1 1 1  -16   23   11 o   38.507   9.9463   9.9477   11.902 -18.15001 19.89257 
1 1 1  -16   23   12 o   60.379   10.389   40.764   12.283 -4.692936 20.77840 
1 1 1  -16   23   13 o  130.543   5.0155  172.208   12.837 1.344925 10.03099 
1 1 1  -16   23   14 o  112.660   5.6713  129.026   12.629 0.8813477E-01 11.34257 
1 1 1  -16   23   15 o  193.476   3.8773  379.959   14.948 -13.76671 7.754667 
1 1 1  -16   24    1 o  145.266   6.3647  213.850   18.491      ?      ? 
1 1 1  -16   24    2 o  221.756   5.2936  496.392   23.478      ?      ? 
1 1 1  -16   24    3 f  247.997   5.1327  620.615   25.458      ?      ? 
1 1 1  -16   24    4 o  113.860   8.0033  132.579   18.225      ?      ? 
1 1 1  -16   24    5 o  171.127   5.9648  296.546   20.415      ?      ? 
1 1 1  -16   24    6 o  111.943   5.5388  130.534   12.011 -11.55508 11.07756 
1 1 1  -16   24    7 o  121.599   7.8329  150.707   19.049      ?      ? 
1 1 1  -16   24    8 o  171.221   6.2381  296.732   21.362      ?      ? 
1 1 1  -16   24    9 o  208.466   3.8012  439.474   15.717 -3.277618 7.602465 
1 1 1  -16   24   10 o  180.375   6.1899  328.973   22.330      ?      ? 
1 1 1  -16   24   11 o  122.717   5.1550  150.178   12.500 12.13423 10.30997 
1 1 1  -16   24   12 o  131.805   7.3034  176.223   19.252      ?      ? 
1 1 1  -16   24   13 o  136.320   4.8924  192.545   13.066 -27.24945 9.784794 
1 1 1  -16   25    1 o  136.793   7.0423  189.986   19.267      ?      ? 
1 1 1  -16   25    2 o  142.586   6.4542  205.923   18.406      ?      ? 
1 1 1  -16   25    3 o  133.806   6.7908  181.622   18.173      ?      ? 
1 1 1  -16   25    4 o  207.263   5.2878  433.437   21.919      ?      ? 
1 1 1  -16   25    5 o  253.067   5.1150  645.916   25.889      ?      ? 
1 1 1  -16   25    6 o  190.010   3.8424  364.727   14.587 -6.869827 7.684843 
1 1 1  -16   25    7 o  179.208   5.8489  324.197   20.963      ?      ? 
1 1 1  -16   25    8 o  122.508   5.2312  151.178   12.760 8.180962 10.46240 
1 1 1  -16   25    9 o  147.789   6.7267  221.000   19.883      ?      ? 
1 1 1  -16   25   10 o   60.263   9.9778   40.970   12.710 -28.97290 19.95562 
1 1 1  -16   26    1 o  153.916   5.5906  238.831   17.210      ?      ? 
1 1 1  -16   26    2 o  148.125   5.8307  221.327   17.273      ?      ? 
1 1 1  -16   26    3 o  222.568   4.9586  498.464   22.073      ?      ? 
1 1 1  -16   26    4 o  263.290   4.9850  697.619   26.250      ?      ? 
1 1 1  -16   26    5 o  220.587   5.0601  489.872   22.324      ?      ? 
1 1 1  -16   26    6 f  134.492   5.0871  181.413   13.374 -39.85934 10.17423 
1 1 1  -16   26    7 o   98.070   9.1634   98.868   17.973      ?      ? 
1 1 1  -16   26    8 o  117.310   5.8171  140.793   13.333 -35.23737 11.63417 
1 1 1  -16   27    1 o  115.270   6.5603  135.473   15.124      ?      ? 
1 1 1  -16   27    2 o   76.075   9.7400   60.834   14.820      ?      ? 
1 1 1  -16   27    3 o   88.280   8.6711   82.606   15.310      ?      ? 
1 1 1  -16   27    4 o  153.825   6.2153  263.536   19.121      ?      ? 
1 1 1  -15    0    5 o  348.497   6.0280  1217.13   41.987 -0.000000 0.000000 
1 1 1  -15    0    6 o  198.151   6.6690  394.655   26.364 -0.000000 0.000000 
1 1 1  -15    0    7 o  370.169   6.1997  1373.78   45.870 -0.000000 0.000000 
1 1 1  -15    0    8 o  297.602   5.8516  888.216   34.799 -0.000000 0.000000 
1 1 1  -15    0    9 f   84.681   13.236   76.087   21.150 -0.000000 0.000000 
1 1 1  -15    0   10 o  175.567   6.2911  310.005   22.028 -0.000000 0.000000 
1 1 1  -15    0   11 o  123.911   8.3434  156.177   20.486 -0.000000 0.000000 
1 1 1  -15    0   12 o  441.784   6.6412  1958.08   58.650 -0.000000 0.000000 
1 1 1  -15    0   13 o  338.218   5.6418  1147.30   38.139 -0.000000 0.000000 
1 1 1  -15    0   14 o  163.614   6.3865  269.716   20.829 -0.000000 0.000000 
1 1 1  -15    0   15 o  309.096   5.4421  958.413   33.619 -0.000000 0.000000 
1 1 1  -15    0   16 o   15.106   11.127 -43.2934   19.616 -0.000000 0.000000 
1 1 1  -15    0   17 o  258.749   5.6401  671.221   29.156 -0.000000 0.000000 
1 1 1  -15    0   18 o   20.547   14.422 -18.9204   21.243 -0.000000 0.000000 
1 1 1  -15    0   19 o  105.071   9.6840  114.212   20.026 -0.000000 0.000000 
1 1 1  -15    0   20 o   34.039   19.102   16.751   19.374 -0.000000 0.000000 
1 1 1  -15    0   21 f  115.316   9.3153  138.171   21.211 -0.000000 0.000000 
1 1 1  -15    0   22 o  148.038   8.1504  221.792   23.978 -0.000000 0.000000 
1 1 1  -15    0   23 o  107.833   11.283  122.127   23.858 -0.000000 0.000000 
1 1 1  -15    0   24 o  164.813   7.1538  275.283   23.485 -0.000000 0.000000 
1 1 1  -15    0   25 f   75.203   17.219   65.933   22.524 -0.000000 0.000000 
1 1 1  -15    0   26 f   64.966   20.568   55.382   23.431 -0.000000 0.000000 
1 1 1  -15    0   27 o   86.453   15.519   83.368   24.406 -0.000000 0.000000 
1 1 1  -15    0   28 f   70.804   19.815   63.029   24.256 -0.000000 0.000000 
1 1 1  -15    0   29 o   34.736   20.417   16.509   23.552 -0.000000 0.000000 
1 1 1  -15    0   30 o   56.352   13.393   42.611   16.061 -0.000000 0.000000 
1 1 1  -15    1    5 o  232.851   4.2519  541.523   19.753 22.47186 8.503871 
1 1 1  -15    1    6 f  343.320   4.2298  1181.84   29.041 -4.700806 8.459636 
1 1 1  -15    1    7 o  161.958   5.3002  264.070   17.131 -11.91896 10.60030 
1 1 1  -15    1    8 f  194.051   4.6252  378.009   17.946 4.556458 9.250341 
1 1 1  -15    1    9 o  196.644   4.3008  387.672   16.903 -9.969101 8.601515 
1 1 1  -15    1   10 o  247.779   3.8609  615.741   19.130 -5.331055 7.721830 
1 1 1  -15    1   11 o  193.587   4.1669  376.143   16.132 -2.406998 8.333710 
1 1 1  -15    1   12 o  280.228   3.8121  787.966   21.364 -2.459503 7.624156 
1 1 1  -15    1   13 o  155.145   4.6378  242.168   14.384 -1.784088 9.275607 
1 1 1  -15    1   14 o   73.567   9.1941   57.368   12.997 -17.58202 18.38815 
1 1 1  -15    1   15 o   85.728   7.6956   74.818   13.190 2.744446 15.39129 
1 1 1  -15    1   17 o  232.747   4.1483  537.237   19.204 -31.07997 8.296659 
1 1 1  -15    1   18 o  109.757   7.6212  126.779   16.047 31.14478 15.24246 
1 1 1  -15    1   19 o   99.570   7.2911  100.231   14.410 -17.13549 14.58217 
1 1 1  -15    1   20 o   93.971   7.6950   91.239   14.304 14.95032 15.39007 
1 1 1  -15    1   21 o   55.219   12.270   35.362   15.149 5.173172 24.53906 
1 1 1  -15    1   22 o  249.184   5.1182  476.060   21.267 200.2404 10.23642 
1 1 1  -15    1   23 o  119.806   6.9250  148.111   16.522 8.679756 13.85001 
1 1 1  -15    1   24 o  152.418   5.3122  235.710   16.168 -6.818527 10.62435 
1 1 1  -15    1   25 o  177.280   4.8252  316.588   17.056 -3.864227 9.650454 
1 1 1  -15    1   26 o  137.532   5.9721  193.007   16.405 -9.457977 11.94416 
1 1 1  -15    1   27 o  107.470   7.4771  119.549   16.071 0.1912918 14.95418 
1 1 1  -15    1   28 o   37.378   16.127   1.3380   21.977      ?      ? 
1 1 1  -15    1   29 o   36.603   11.216  -3.1145   15.560 10.57418 22.43192 
1 1 1  -15    1   30 o   95.373   7.3812   90.162   13.039 8.086090 14.76231 
1 1 1  -15    2    4 o  152.244   7.6276  232.688   23.225      ?      ? 
1 1 1  -15    2    5 o  172.355   7.1270  298.168   24.568      ?      ? 
1 1 1  -15    2    6 o  146.149   5.6739  214.822   16.574 -2.106644 11.34787 
1 1 1  -15    2    7 o  341.333   4.2167  1168.64   28.777 3.831787 8.433443 
1 1 1  -15    2    8 o  139.597   5.7743  196.507   16.095 -6.263199 11.54867 
1 1 1  -15    2    9 o  227.802   4.0440  520.179   18.415 -5.267014 8.087966 
1 1 1  -15    2   10 o   62.604   10.886   41.841   13.716 -14.90540 21.77241 
1 1 1  -15    2   11 o   66.554   10.573   47.065   13.793 -12.65511 21.14654 
1 1 1  -15    2   12 o   66.379   10.572   47.085   13.704 4.433311 21.14397 
1 1 1  -15    2   13 o  106.634   6.4787  115.207   13.748 -13.44519 12.95742 
1 1 1  -15    2   14 o   54.777   10.953   31.349   13.196 19.73093 21.90594 
1 1 1  -15    2   15 o   32.514   9.9777 -10.6941   13.283 -15.43799 19.95530 
1 1 1  -15    2   16 o   30.413   9.8690 -19.7145   14.579 10.83212 19.73809 
1 1 1  -15    2   17 o  184.497   4.7879  336.375   17.489 -36.51750 9.575713 
1 1 1  -15    2   18 o  198.089   4.8553  392.181   18.532 73.09676 9.710596 
1 1 1  -15    2   19 f   76.516   9.5675   60.858   14.239 -14.22160 19.13500 
1 1 1  -15    2   20 o   92.386   7.7278   87.972   14.163 12.87473 15.45564 
1 1 1  -15    2   21 o  140.525   5.6257  202.265   15.760 15.48154 11.25132 
1 1 1  -15    2   22 o  126.695   7.5138  176.055   16.637 -75.27876 15.02759 
1 1 1  -15    2   23 o   26.619   9.1477 -35.3152   15.462 -0.8494320 18.29533 
1 1 1  -15    2   24 o  135.787   5.8057  189.007   15.644 -19.61269 11.61134 
1 1 1  -15    2   25 o  133.772   5.8970  181.607   15.762 5.678040 11.79408 
1 1 1  -15    2   26 o   26.902   9.1770 -32.9849   15.118 -4.993975 18.35391 
1 1 1  -15    2   27 o  172.415   5.0001  301.904   17.242 1.100967 10.00026 
1 1 1  -15    2   28 o   32.422   10.516 -12.4930   15.585 0.1958771 21.03103 
1 1 1  -15    2   29 o   44.827   12.084   16.874   15.143 5.371590 24.16785 
1 1 1  -15    2   30 o  138.400   5.0395  189.417   13.426 11.31958 10.07894 
1 1 1  -15    3    4 o  243.991   5.8992  596.782   28.787      ?      ? 
1 1 1  -15    3    5 o  262.394   5.7794  690.297   30.330      ?      ? 
1 1 1  -15    3    6 o  167.249   5.1057  281.042   17.072 -5.982422 10.21146 
1 1 1  -15    3    7 o  128.108   6.3800  165.207   16.332 -7.473106 12.76005 
1 1 1  -15    3    8 o  135.766   5.8375  187.184   15.701 11.75002 11.67509 
1 1 1  -15    3    9 o  306.535   3.9981  942.568   24.497 0.6502686 7.996227 
1 1 1  -15    3   10 o  249.701   3.9029  625.518   19.487 3.090302 7.805791 
1 1 1  -15    3   11 o  146.573   5.0661  215.864   14.844 -5.410980 10.13212 
1 1 1  -15    3   12 o   69.747   10.065   50.675   13.855 -30.87363 20.13008 
1 1 1  -15    3   13 o   96.374   7.0848   94.105   13.649 -3.540977 14.16960 
1 1 1  -15    3   14 o   27.306   9.0836 -21.3209   13.004 -6.152090 18.16721 
1 1 1  -15    3   15 o   72.886   9.5750   56.274   13.429 -1.081909 19.15007 
1 1 1  -15    3   16 o   31.992   10.282 -11.8473   14.511 4.627172 20.56466 
1 1 1  -15    3   17 o  214.125   4.3900  451.259   18.608 -40.98457 8.779904 
1 1 1  -15    3   18 o   84.179   10.035   82.129   15.646 65.47334 20.07042 
1 1 1  -15    3   19 o   70.851   10.005   52.612   13.883 -22.24908 20.00908 
1 1 1  -15    3   20 o   28.209   9.3729 -18.9307   13.464 2.666037 18.74575 
1 1 1  -15    3   21 o   77.419   9.9201   64.138   14.978 10.46434 19.84027 
1 1 1  -15    3   22 o  184.554   5.1231  348.322   18.365 -52.69977 10.24624 
1 1 1  -15    3   23 o   30.895   10.191 -18.7723   15.579 3.535357 20.38120 
1 1 1  -15    3   24 o  101.275   7.6050  105.828   15.344 12.24715 15.21000 
1 1 1  -15    3   25 o  146.686   5.5213  218.498   16.150 -12.20108 11.04260 
1 1 1  -15    3   26 o   35.266   10.809  -6.5292   15.090 -13.38845 21.61752 
1 1 1  -15    3   27 o   41.426   11.524   6.4866   15.596 -18.37166 23.04805 
1 1 1  -15    3   28 f  132.493   5.3855  181.251   13.029 -5.139557 10.77108 
1 1 1  -15    3   29 o   36.848   10.795   6.3272   12.692 0.2798500 21.59053 
1 1 1  -15    3   30 o   75.464   9.3419   61.467   13.000 -6.878906 18.68373 
1 1 1  -15    4    4 o  159.450   7.3344  255.294   23.390      ?      ? 
1 1 1  -15    4    5 o  183.022   6.7149  336.253   24.579      ?      ? 
1 1 1  -15    4    6 o  214.615   4.3658  462.087   18.731 9.304901 8.731669 
1 1 1  -15    4    7 o  113.451   6.9623  130.359   15.693 -16.02058 13.92460 
1 1 1  -15    4    8 o  117.341   6.4250  139.224   15.012 4.613518 12.84992 
1 1 1  -15    4    9 o   94.132   7.7414   88.356   14.405 -20.22564 15.48274 
1 1 1  -15    4   10 o  252.787   3.8051  641.021   19.234 1.870819 7.610109 
1 1 1  -15    4   11 o   86.040   7.9910   75.420   13.663 11.24976 15.98200 
1 1 1  -15    4   12 o  206.131   3.9869  426.675   16.431 -6.300339 7.973703 
1 1 1  -15    4   13 o  186.645   4.1001  350.036   15.304 2.178848 8.200126 
1 1 1  -15    4   14 o   30.085   9.3516 -16.9167   12.698 -16.59646 18.70326 
1 1 1  -15    4   15 o  203.241   3.9643  415.528   16.106 -3.161682 7.928617 
1 1 1  -15    4   17 o  169.233   5.1022  288.948   17.122 25.54863 10.20448 
1 1 1  -15    4   18 o   25.574   8.8336 -44.4703   14.931 -10.52831 17.66711 
1 1 1  -15    4   19 o  161.988   4.6288  263.680   14.968 -12.83528 9.257665 
1 1 1  -15    4   20 o   40.518   11.281   10.859   13.429 3.698330 22.56119 
1 1 1  -15    4   21 o  155.124   5.1460  243.526   15.880 -2.847992 10.29199 
1 1 1  -15    4   22 o  184.458   5.2295  349.729   18.125 -81.54356 10.45905 
1 1 1  -15    4   23 o   40.186   11.029  -3.1956   15.352 27.61251 22.05887 
1 1 1  -15    4   24 o   55.445   12.202   32.880   15.001 8.576317 24.40439 
1 1 1  -15    4   25 o   66.342   11.585   48.450   15.395 13.25872 23.16983 
1 1 1  -15    4   26 f  154.294   5.2848  241.615   16.304 1.810425 10.56965 
1 1 1  -15    4   27 o   31.295   14.520 -15.8669   21.766      ?      ? 
1 1 1  -15    4   28 o  103.573   7.2526  122.985   12.716 -25.94295 14.50511 
1 1 1  -15    4   29 o  117.133   5.9186  139.602   13.059 0.9529877 11.83724 
1 1 1  -15    4   30 o  147.923   4.8491  213.626   13.637 15.84480 9.698217 
1 1 1  -15    5    3 o  247.488   5.7409  614.103   28.416      ?      ? 
1 1 1  -15    5    4 o  396.861   6.2949  1580.35   49.964      ?      ? 
1 1 1  -15    5    5 o  165.002   7.0701  273.537   23.332      ?      ? 
1 1 1  -15    5    6 o  107.018   7.0607  116.019   15.066 -7.550903 14.12140 
1 1 1  -15    5    7 o  129.317   5.7478  168.400   14.859 2.799141 11.49569 
1 1 1  -15    5    8 o  214.542   4.0030  461.640   17.166 -0.6220398 8.006043 
1 1 1  -15    5    9 o  124.788   5.8391  157.254   14.524 6.337662 11.67826 
1 1 1  -15    5   10 o  354.378   4.0961  1260.49   29.030 -0.5690613 8.192131 
1 1 1  -15    5   11 o  254.856   3.8123  651.786   19.430 -0.3215485 7.624601 
1 1 1  -15    5   12 o  252.271   3.7414  638.810   18.876 1.507813 7.482855 
1 1 1  -15    5   13 o  200.345   3.9711  403.162   15.910 3.077316 7.942160 
1 1 1  -15    5   14 o  102.489   6.5627  106.876   13.389 -8.552483 13.12548 
1 1 1  -15    5   16 o  220.235   4.5718  456.289   18.836 -111.9594 9.143601 
1 1 1  -15    5   17 o  148.588   9.1294  230.926   17.001 185.9534 18.25881 
1 1 1  -15    5   18 o   25.994   8.8190 -35.0411   13.915 -10.56894 17.63800 
1 1 1  -15    5   19 o   84.484   7.8120   73.229   13.159 -0.4264679 15.62394 
1 1 1  -15    5   20 o  114.253   6.0352  134.339   13.661 -8.099854 12.07046 
1 1 1  -15    5   21 o   71.820   10.271   57.070   14.445 -34.75697 20.54285 
1 1 1  -15    5   22 o  214.163   4.2764  462.666   18.305 -3.483749 8.552768 
1 1 1  -15    5   23 o  171.701   4.8090  297.489   16.470 10.43367 9.618057 
1 1 1  -15    5   24 f  123.390   6.2456  155.255   15.309 -2.451599 12.49122 
1 1 1  -15    5   25 o   28.351   9.5362 -25.8157   15.143 -4.009039 19.07235 
1 1 1  -15    5   26 o   27.682   9.4212 -29.6306   15.308 0.8221283 18.84232 
1 1 1  -15    5   27 o  112.632   6.2137  132.904   12.461 -7.354118 12.42742 
1 1 1  -15    5   28 o   40.930   11.237   13.554   12.418 2.052975 22.47495 
1 1 1  -15    5   29 o  119.988   5.8162  149.286   13.105 -6.368774 11.63249 
1 1 1  -15    5   30 o  121.095   5.7158  146.483   13.211 6.736557 11.43165 
1 1 1  -15    6    3 o   75.092   15.814   59.763   23.005      ?      ? 
1 1 1  -15    6    4 o   92.732   12.317   87.253   22.844      ?      ? 
1 1 1  -15    6    5 o  150.128   7.6107  226.704   22.852      ?      ? 
1 1 1  -15    6    6 o  221.730   4.0593  491.714   17.962 10.03545 8.118682 
1 1 1  -15    6    7 o  213.924   4.0046  459.020   17.132 -3.904556 8.009139 
1 1 1  -15    6    8 o  245.185   3.8204  602.325   18.725 -9.871033 7.640879 
1 1 1  -15    6    9 o  234.788   3.8708  552.255   18.163 -11.19191 7.741684 
1 1 1  -15    6   10 f   80.434   8.9346   66.958   13.883 -16.58842 17.86925 
1 1 1  -15    6   11 o   31.824   10.003  -8.6124   13.193 -7.655098 20.00570 
1 1 1  -15    6   12 o   71.881   9.3636   54.494   13.050 -13.11271 18.72719 
1 1 1  -15    6   13 o  162.803   4.3787  267.726   14.193 -12.02364 8.757433 
1 1 1  -15    6   14 o   99.260   6.6297   99.741   13.143 3.825233 13.25943 
1 1 1  -15    6   15 o  165.452   4.9633  281.827   16.082 -30.51744 9.926699 
1 1 1  -15    6   16 o  321.199   4.0763  998.738   25.585 49.46954 8.152658 
1 1 1  -15    6   17 o   96.982   7.7961   96.857   15.007 -9.032356 15.59226 
1 1 1  -15    6   18 o   62.674   10.630   42.359   13.091 2.161953 21.25923 
1 1 1  -15    6   19 o   90.805   7.5545   84.816   13.509 -3.151062 15.10907 
1 1 1  -15    6   20 o  271.228   3.9484  743.555   21.294 9.160553 7.896858 
1 1 1  -15    6   21 o  131.732   6.0087  166.265   15.417 39.32524 12.01740 
1 1 1  -15    6   22 o   83.507   9.1436   72.675   15.071 2.462120 18.28718 
1 1 1  -15    6   23 o   64.075   11.076   43.912   14.369 25.28171 22.15128 
1 1 1  -15    6   24 f   81.311   9.4896   68.053   14.644 31.55959 18.97926 
1 1 1  -15    6   25 o   30.813   10.120 -14.9240   14.925 1.104870 20.24006 
1 1 1  -15    6   26 o   55.270   17.005   33.752   20.626      ?      ? 
1 1 1  -15    6   27 f  177.719   4.2332  317.925   13.558 1.076050 8.466428 
1 1 1  -15    6   28 o   58.425   11.064   38.291   12.441 -3.492989 22.12755 
1 1 1  -15    6   29 o   48.776   11.117   25.954   12.775 -11.63236 22.23438 
1 1 1  -15    6   30 o   54.991   10.887   35.292   13.045 -18.20993 21.77364 
1 1 1  -15    7    2 o  151.606   7.5255  231.121   22.818      ?      ? 
1 1 1  -15    7    3 o  180.417   6.8000  327.016   24.537      ?      ? 
1 1 1  -15    7    4 o  179.945   6.7971  325.314   24.462      ?      ? 
1 1 1  -15    7    5 o  137.990   8.2722  191.696   22.830      ?      ? 
1 1 1  -15    7    6 o  255.717   5.6736  655.916   29.017      ?      ? 
1 1 1  -15    7    7 o  230.493   3.9387  532.857   18.152 0.3704681 7.877408 
1 1 1  -15    7    8 o  111.890   6.3000  126.485   14.054 -10.46938 12.60009 
1 1 1  -15    7    9 o  100.040   6.8012  101.255   13.583 -6.951553 13.60234 
1 1 1  -15    7   10 o  204.301   3.9177  418.945   16.007 1.767212 7.835474 
1 1 1  -15    7   11 o  132.071   5.0221  174.989   13.238 8.187508 10.04413 
1 1 1  -15    7   12 o   27.407   9.1145 -18.6441   12.723 3.204866 18.22903 
1 1 1  -15    7   13 o   69.569   9.6855   51.287   12.997 7.589966 19.37101 
1 1 1  -15    7   15 o  204.558   4.4658  426.402   17.740 -59.76251 8.931699 
1 1 1  -15    7   16 o  248.018   4.0581  595.844   19.719 41.03699 8.116102 
1 1 1  -15    7   17 o  147.891   5.1295  224.731   14.940 -14.57150 10.25908 
1 1 1  -15    7   18 o   82.423   8.0883   69.001   13.238 6.799446 16.17665 
1 1 1  -15    7   19 o  157.278   4.6797  245.640   14.526 15.07103 9.359493 
1 1 1  -15    7   20 o   29.831   9.9005 -18.6593   14.561 3.290306 19.80095 
1 1 1  -15    7   21 o  111.156   7.7022  130.568   15.953 -15.02347 15.40449 
1 1 1  -15    7   22 o   34.840   11.018 -10.7499   15.238 14.40869 22.03544 
1 1 1  -15    7   23 o  114.463   6.8010  135.697   15.140 -5.554062 13.60206 
1 1 1  -15    7   24 o  205.517   4.5406  434.939   18.224 -45.42216 9.081256 
1 1 1  -15    7   25 o   57.818   11.822   35.019   14.938 21.85957 23.64443 
1 1 1  -15    7   26 o   51.275   11.365   21.100   15.167 33.84867 22.73087 
1 1 1  -15    7   27 o   45.986   11.078   22.570   12.147 -7.219421 22.15657 
1 1 1  -15    7   28 o   40.085   10.967   12.799   12.313 -2.435589 21.93340 
1 1 1  -15    7   29 o   76.932   9.2411   61.547   12.945 1.753448 18.48216 
1 1 1  -15    7   30 o   44.846   12.418   16.685   16.159 -3.607719 24.83513 
1 1 1  -15    8    2 o  140.711   7.8992  199.232   22.230      ?      ? 
1 1 1  -15    8    3 o  160.153   7.0805  257.753   22.679      ?      ? 
1 1 1  -15    8    4 o   94.078   11.368   89.603   21.390      ?      ? 
1 1 1  -15    8    5 o  159.372   7.1020  255.215   22.637      ?      ? 
1 1 1  -15    8    6 o  147.296   7.2355  218.090   21.315      ?      ? 
1 1 1  -15    8    7 o  177.925   4.2831  318.320   15.207 -4.905991 8.566220 
1 1 1  -15    8    8 o  104.586   6.5741  109.957   13.718 9.162209 13.14826 
1 1 1  -15    8    9 o   85.016   8.0191   74.059   13.501 -11.79550 16.03812 
1 1 1  -15    8   10 o  115.769   5.9969  135.819   13.812 13.74779 11.99383 
1 1 1  -15    8   11 o  136.430   4.9635  186.979   13.525 7.693283 9.927046 
1 1 1  -15    8   12 o  151.170   4.5622  230.364   13.762 -5.489014 9.124392 
1 1 1  -15    8   13 o   51.854   11.415   28.159   13.274 -7.727562 22.83006 
1 1 1  -15    8   14 o   67.930   10.842   51.761   14.773 -24.72421 21.68417 
1 1 1  -15    8   15 o  268.736   4.0963  701.520   21.434 34.18904 8.192638 
1 1 1  -15    8   16 o   34.611   10.079 -12.9116   14.823 -21.37433 20.15783 
1 1 1  -15    8   17 o   35.204   10.727  -0.9402   13.522 6.614656 21.45349 
1 1 1  -15    8   18 o  147.607   4.8758  216.925   14.170 11.17049 9.751517 
1 1 1  -15    8   19 f   53.422   11.589   32.457   13.489 -4.466473 23.17812 
1 1 1  -15    8   20 o  120.514   7.0489  156.786   15.807 -32.65108 14.09773 
1 1 1  -15    8   21 o   41.031   11.667  -2.6748   15.522 26.10118 23.33380 
1 1 1  -15    8   22 o  163.915   5.0932  273.263   16.123 -1.714050 10.18639 
1 1 1  -15    8   23 o  162.408   5.0209  265.607   16.078 4.080582 10.04182 
1 1 1  -15    8   24 o  119.472   6.7279  147.835   15.734 -5.684792 13.45577 
1 1 1  -15    8   25 o   60.518   16.028   40.603   19.711      ?      ? 
1 1 1  -15    8   26 o  235.848   3.6324  550.113   15.558 9.779297 7.264871 
1 1 1  -15    8   27 f   27.904   9.2767 -13.8247   12.093 4.890705 18.55340 
1 1 1  -15    8   28 o   68.963   9.8843   52.693   12.336 -7.589836 19.76851 
1 1 1  -15    8   29 f  127.863   5.4669  157.471   12.986 16.66972 10.93375 
1 1 1  -15    8   30 o   72.538   11.027   72.327   16.030 -30.11251 22.05313 
1 1 1  -15    9    1 o  305.754   5.6298  937.677   34.427      ?      ? 
1 1 1  -15    9    2 o  257.939   5.6150  667.319   28.966      ?      ? 
1 1 1  -15    9    3 o  244.630   5.6697  600.288   27.740      ?      ? 
1 1 1  -15    9    4 o  268.708   5.5927  724.279   30.056      ?      ? 
1 1 1  -15    9    5 o  155.381   7.1135  242.708   22.106      ?      ? 
1 1 1  -15    9    6 o  206.238   5.7358  426.894   23.659      ?      ? 
1 1 1  -15    9    7 o  143.527   5.0622  207.391   14.518 -6.404953 10.12431 
1 1 1  -15    9    8 o   39.409   11.108   8.1918   13.366 -5.185936 22.21700 
1 1 1  -15    9    9 f  181.004   4.1823  329.441   15.127 -3.552658 8.364643 
1 1 1  -15    9   10 o  147.685   4.7747  220.247   14.056 -11.52234 9.549365 
1 1 1  -15    9   11 o  122.190   5.5097  149.650   13.410 8.640114 11.01946 
1 1 1  -15    9   12 o  151.801   4.8546  232.967   14.691 -9.911377 9.709136 
1 1 1  -15    9   13 o  182.300   4.6367  335.279   16.890 -0.7030792 9.273332 
1 1 1  -15    9   14 o  352.836   4.3077  1187.26   29.641 -85.88254 8.615373 
1 1 1  -15    9   15 o  244.952   4.2295  595.634   20.343 12.99677 8.458956 
1 1 1  -15    9   16 o  117.248   6.5261  142.403   14.641 -6.852821 13.05227 
1 1 1  -15    9   17 o   55.113   11.359   31.841   12.982 6.710934 22.71724 
1 1 1  -15    9   18 o   31.343   10.056  -8.9434   13.285 3.884573 20.11118 
1 1 1  -15    9   19 o   42.125   11.314   12.582   14.299 -12.80634 22.62810 
1 1 1  -15    9   20 o  210.882   4.4757  452.095   18.628 -21.48737 8.951323 
1 1 1  -15    9   21 f  114.710   7.5669  144.498   16.156 -30.07581 15.13386 
1 1 1  -15    9   22 o  117.424   6.5895  141.159   15.073 0.6084747 13.17905 
1 1 1  -15    9   23 o   97.794   7.7204   94.959   14.868 21.47831 15.44088 
1 1 1  -15    9   24 o   73.155   10.719   59.766   14.921 -3.231674 21.43746 
1 1 1  -15    9   25 o  100.616   7.4978  104.545   14.849 0.5982742 14.99569 
1 1 1  -15    9   26 o   45.503   10.011   23.509   11.559 -20.50278 20.02165 
1 1 1  -15    9   27 o   56.813   11.054   31.548   12.042 18.51407 22.10756 
1 1 1  -15    9   28 o   65.016   10.398   44.013   12.332 8.556133 20.79696 
1 1 1  -15    9   29 o  112.803   5.9950  127.464   12.610 4.877922 11.99004 
1 1 1  -15   10    1 o  406.459   6.3259  1658.85   51.424      ?      ? 
1 1 1  -15   10    2 o  281.835   5.5571  796.872   31.324      ?      ? 
1 1 1  -15   10    3 o  160.763   6.8690  259.762   22.086      ?      ? 
1 1 1  -15   10    4 o  172.964   6.5594  300.602   22.691      ?      ? 
1 1 1  -15   10    5 o   75.191   13.525   59.411   19.599      ?      ? 
1 1 1  -15   10    6 o   93.802   10.333   89.119   19.384      ?      ? 
1 1 1  -15   10    7 f  130.203   5.2314  171.009   13.576 -2.875961 10.46284 
1 1 1  -15   10    8 o   43.831   11.215   16.767   12.782 -4.868431 22.43030 
1 1 1  -15   10    9 o  115.795   5.7925  134.794   13.383 10.13100 11.58501 
1 1 1  -15   10   10 o  125.981   5.4470  159.878   13.708 3.233749 10.89401 
1 1 1  -15   10   11 o  246.965   3.8213  612.260   18.840 3.597748 7.642572 
1 1 1  -15   10   12 o   69.045   10.988   52.834   14.848 -14.02855 21.97632 
1 1 1  -15   10   13 o  193.005   4.5393  367.781   17.336 20.39090 9.078597 
1 1 1  -15   10   14 o  286.219   4.2099  817.821   23.890 -52.55182 8.419840 
1 1 1  -15   10   15 o   28.461   9.2005 -27.4206   14.066 -14.85295 18.40098 
1 1 1  -15   10   16 o  133.476   5.1878  178.946   13.428 2.853333 10.37563 
1 1 1  -15   10   17 o  132.951   5.4940  178.576   14.076 0.6231689 10.98800 
1 1 1  -15   10   19 o  109.408   7.4246  119.421   15.883 6.057076 14.84912 
1 1 1  -15   10   20 o   37.171   11.478  -1.4572   15.903 1.944740 22.95666 
1 1 1  -15   10   21 o   77.150   10.283   66.916   14.806 -15.32082 20.56526 
1 1 1  -15   10   22 o  192.800   4.4614  371.332   16.918 10.40567 8.922896 
1 1 1  -15   10   23 o   27.828   9.4114 -25.5624   14.654 1.038750 18.82284 
1 1 1  -15   10   24 o  137.896   7.4124  192.996   20.443      ?      ? 
1 1 1  -15   10   25 o   35.243   10.881  -1.3966   14.502 -0.9300499 21.76277 
1 1 1  -15   10   26 o  101.788   6.8074  113.555   11.819 -14.84201 13.61477 
1 1 1  -15   10   27 o  114.704   5.9907  129.121   12.695 10.96463 11.98142 
1 1 1  -15   10   28 o  110.639   6.1421  122.567   12.655 4.633469 12.28412 
1 1 1  -15   10   29 o  168.594   4.4234  294.743   14.168 -12.82593 8.846901 
1 1 1  -15   11    1 o  293.703   5.4993  865.613   32.303      ?      ? 
1 1 1  -15   11    2 o  199.985   5.8888  401.552   23.553      ?      ? 
1 1 1  -15   11    3 o  295.504   5.4894  876.349   32.443      ?      ? 
1 1 1  -15   11    4 o  192.036   5.8822  370.341   22.592      ?      ? 
1 1 1  -15   11    5 o  123.603   7.9784  154.038   19.723      ?      ? 
1 1 1  -15   11    6 o  237.608   5.3692  566.846   25.515      ?      ? 
1 1 1  -15   11    7 o  143.834   4.7694  209.720   13.622 -13.86517 9.538704 
1 1 1  -15   11    8 o   99.835   6.6021  102.035   13.031 -14.07855 13.20420 
1 1 1  -15   11    9 o  161.258   4.4375  261.497   14.308 1.625641 8.874909 
1 1 1  -15   11   10 o  130.669   5.5176  172.199   14.377 -14.02468 11.03518 
1 1 1  -15   11   12 o  218.331   4.2520  478.220   18.366 -42.66612 8.504024 
1 1 1  -15   11   13 o  297.326   4.3864  752.236   23.985 -150.1698 8.772791 
1 1 1  -15   11   14 o  113.107   6.7595  131.778   15.100 -5.860481 13.51902 
1 1 1  -15   11   15 o  135.882   5.0738  186.665   13.528 -0.9899902 10.14761 
1 1 1  -15   11   16 o  102.964   6.4699  108.626   12.959 -3.683029 12.93982 
1 1 1  -15   11   17 o   24.353   8.4640 -35.3696   13.424 5.559546 16.92800 
1 1 1  -15   11   18 o   86.146   10.451   96.845   15.577 -58.43064 20.90221 
1 1 1  -15   11   19 o   84.119   9.9961   74.413   15.797 -4.212227 19.99222 
1 1 1  -15   11   20 o   23.153   8.1804 -55.2607   15.338 2.267622 16.36072 
1 1 1  -15   11   21 o  186.516   4.5318  350.434   16.582 4.040512 9.063652 
1 1 1  -15   11   22 o  129.128   6.0446  174.024   15.043 -17.85348 12.08921 
1 1 1  -15   11   23 o  179.467   4.6178  327.039   16.416 -1.061050 9.235692 
1 1 1  -15   11   24 o   39.316   11.496   7.0500   14.530 4.305031 22.99154 
1 1 1  -15   11   25 o   79.651   9.1603   66.470   14.507 2.883850 18.32052 
1 1 1  -15   11   26 o  163.224   4.3744  272.472   12.708 -4.508392 8.748758 
1 1 1  -15   11   27 o   71.304   9.4929   55.016   12.321 -4.180138 18.98571 
1 1 1  -15   11   28 o   92.787   7.2654   90.620   12.505 -7.419518 14.53079 
1 1 1  -15   12    1 o  121.219   8.1197  148.204   19.685      ?      ? 
1 1 1  -15   12    2 o  181.901   6.0178  332.479   21.893      ?      ? 
1 1 1  -15   12    3 o  168.333   6.4029  284.966   21.556      ?      ? 
1 1 1  -15   12    4 o  203.807   5.5828  417.233   22.756      ?      ? 
1 1 1  -15   12    5 f  285.208   5.3385  816.844   30.452      ?      ? 
1 1 1  -15   12    6 o  193.623   5.7428  376.714   22.239      ?      ? 
1 1 1  -15   12    7 o  142.123   4.7853  203.773   13.573 -6.862869 9.570681 
1 1 1  -15   12    8 o   54.570   10.089   30.443   12.696 -33.05532 20.17755 
1 1 1  -15   12   10 o   37.876   10.977  -3.1158   14.955 -19.17336 21.95451 
1 1 1  -15   12   11 o  231.005   4.0135  533.024   18.494 -23.64998 8.027081 
1 1 1  -15   12   12 o  203.044   4.2946  403.310   17.223 39.80864 8.589195 
1 1 1  -15   12   13 o   74.005   10.270   59.132   14.611 3.817482 20.53941 
1 1 1  -15   12   14 o  167.698   4.3503  280.568   14.505 14.69861 8.700618 
1 1 1  -15   12   15 o   26.644   8.7944 -18.3853   12.143 -5.983770 17.58880 
1 1 1  -15   12   16 o   39.035   10.690   9.6015   12.707 -10.81512 21.37915 
1 1 1  -15   12   18 o  289.639   4.0771  829.480   23.413 -51.71964 8.154269 
1 1 1  -15   12   19 o  113.004   6.6075  131.499   14.753 -3.925507 13.21507 
1 1 1  -15   12   20 o   24.944   8.5638 -35.9397   14.042 -6.044830 17.12760 
1 1 1  -15   12   21 o  194.888   4.3487  386.358   16.732 -13.34291 8.697344 
1 1 1  -15   12   22 o  214.471   4.1863  461.056   17.661 9.802292 8.372696 
1 1 1  -15   12   23 o  108.608   7.0078  119.988   14.858 4.034698 14.01566 
1 1 1  -15   12   24 o  183.259   4.5878  337.542   16.631 8.818176 9.175546 
1 1 1  -15   12   25 o   66.162   11.302   49.034   14.706 3.632591 22.60434 
1 1 1  -15   12   26 o   84.671   7.8178   74.843   11.912 -2.587700 15.63564 
1 1 1  -15   12   27 o  127.910   5.4613  166.259   12.974 -0.9652786 10.92267 
1 1 1  -15   12   28 o   72.813   8.8179   56.503   12.025 -1.075920 17.63574 
1 1 1  -15   13    1 o  197.878   4.2069  395.077   16.575 10.14812 8.413719 
1 1 1  -15   13    2 o  248.732   5.3109  621.243   26.420      ?      ? 
1 1 1  -15   13    3 o  165.677   6.0678  275.972   20.106      ?      ? 
1 1 1  -15   13    4 o  144.108   6.7254  209.045   19.384      ?      ? 
1 1 1  -15   13    5 o  135.422   7.1017  184.760   19.234      ?      ? 
1 1 1  -15   13    6 o   73.536   12.174   55.324   17.905      ?      ? 
1 1 1  -15   13    7 o   98.012   6.7889   98.249   13.052 -24.31861 13.57788 
1 1 1  -15   13    8 o  118.296   8.0088  141.832   18.948      ?      ? 
1 1 1  -15   13    9 o  187.537   5.9958  353.134   22.489      ?      ? 
1 1 1  -15   13   10 f  194.172   4.3919  374.039   16.968 -21.63632 8.783766 
1 1 1  -15   13   11 o  111.286   7.0451  127.670   15.119 35.06384 14.09013 
1 1 1  -15   13   12 o  217.028   4.0810  476.053   17.663 -4.678726 8.162073 
1 1 1  -15   13   13 f  128.792   5.3457  167.679   13.760 0.4547882 10.69137 
1 1 1  -15   13   14 o   94.881   6.7892   93.395   12.646 -14.74982 13.57836 
1 1 1  -15   13   15 o  156.445   4.4688  248.630   13.830 -7.612030 8.937675 
1 1 1  -15   13   16 o  129.574   5.9742  177.408   14.906 -26.20645 11.94842 
1 1 1  -15   13   17 o  321.670   4.0861  1034.52   26.165 10.43799 8.172134 
1 1 1  -15   13   18 o   55.049   9.5277   26.101   15.166 -50.28924 19.05532 
1 1 1  -15   13   19 o  263.636   3.8353  702.220   20.184 -8.677887 7.670548 
1 1 1  -15   13   20 o  156.251   4.9916  247.907   15.363 -3.146347 9.983212 
1 1 1  -15   13   21 o  186.952   4.4611  354.034   16.477 -4.892349 8.922124 
1 1 1  -15   13   22 o   42.148   15.692   15.684   17.687      ?      ? 
1 1 1  -15   13   23 o   64.661   11.149   48.719   14.350 -16.16376 22.29771 
1 1 1  -15   13   24 o  124.057   6.1223  155.068   15.007 12.23851 12.24451 
1 1 1  -15   13   25 o   63.821   11.535   47.248   14.838 -12.93594 23.07031 
1 1 1  -15   13   26 o   65.019   10.167   51.699   12.155 -22.53015 20.33466 
1 1 1  -15   13   27 o  151.393   4.8400  232.605   13.497 -1.642807 9.679928 
1 1 1  -15   14    1 o  274.369   3.8825  756.482   21.286 2.642029 7.764997 
1 1 1  -15   14    2 o  252.664   5.3411  641.188   26.990      ?      ? 
1 1 1  -15   14    3 o  164.650   6.2694  272.803   20.645      ?      ? 
1 1 1  -15   14    4 o  190.114   5.7592  363.525   21.898      ?      ? 
1 1 1  -15   14    5 o  157.752   6.4349  250.946   20.303      ?      ? 
1 1 1  -15   14    6 o  130.291   7.3645  171.628   19.191      ?      ? 
1 1 1  -15   14    7 o  107.124   6.6874  113.379   14.085 -27.71902 13.37482 
1 1 1  -15   14    8 o  282.784   5.3436  801.159   30.222      ?      ? 
1 1 1  -15   14    9 o  228.355   5.5882  522.508   25.522      ?      ? 
1 1 1  -15   14   10 o  282.105   3.9947  800.533   22.517 6.614288 7.989453 
1 1 1  -15   14   11 o  199.796   4.1659  403.442   16.593 -19.24809 8.331871 
1 1 1  -15   14   12 f   86.141   7.5139   76.246   12.866 -8.358879 15.02783 
1 1 1  -15   14   13 o   58.599   9.8362   35.892   12.883 -36.73761 19.67249 
1 1 1  -15   14   14 f  247.361   3.7088  608.169   18.225 -30.13484 7.417650 
1 1 1  -15   14   16 o  236.142   4.0768  555.943   19.172 30.37910 8.153700 
1 1 1  -15   14   17 o  120.423   6.8044  156.277   15.444 -40.70146 13.60879 
1 1 1  -15   14   18 f   48.425   10.086   20.385   13.503 -34.80121 20.17197 
1 1 1  -15   14   19 o   87.401   7.8280   81.139   13.231 -13.96110 15.65608 
1 1 1  -15   14   20 o  102.515   7.2051  104.975   13.660 54.57047 14.41021 
1 1 1  -15   14   21 o   88.227   7.9534   81.915   13.837 -5.875702 15.90673 
1 1 1  -15   14   22 o  104.694   6.9112  112.226   14.191 1.966095 13.82230 
1 1 1  -15   14   23 o   75.263   10.065   64.417   14.187 -20.09592 20.13008 
1 1 1  -15   14   24 o   50.639   11.915   27.875   14.254 -6.213863 23.83060 
1 1 1  -15   14   25 o   60.035   11.074   41.755   14.106 -21.63975 22.14808 
1 1 1  -15   14   26 o   98.761   6.5567   97.621   12.078 4.875427 13.11345 
1 1 1  -15   14   27 o   87.966   7.8193   83.186   12.660 -7.056114 15.63857 
1 1 1  -15   15    1 o   71.881   10.309   58.184   14.504 33.85686 20.61879 
1 1 1  -15   15    2 o  170.560   6.2073  293.176   21.174      ?      ? 
1 1 1  -15   15    3 o   26.129   12.565 -27.3671   19.209      ?      ? 
1 1 1  -15   15    4 o  107.927   9.1947  117.672   19.847      ?      ? 
1 1 1  -15   15    5 o  215.692   5.5058  466.341   23.751      ?      ? 
1 1 1  -15   15    6 o  217.079   5.4723  472.075   23.759      ?      ? 
1 1 1  -15   15    7 f  236.973   3.9815  561.322   18.826 -8.289902 7.962903 
1 1 1  -15   15    8 o   69.513   9.7663   52.980   14.573 57.11145 19.53251 
1 1 1  -15   15    9 o  161.230   6.7524  263.281   21.774      ?      ? 
1 1 1  -15   15   10 o   68.024   9.4274   53.246   12.901 -47.98999 18.85475 
1 1 1  -15   15   11 o  144.298   4.4036  209.285   12.603 2.915878 8.807106 
1 1 1  -15   15   12 o   39.251   10.707   11.329   11.883 -0.9125214 21.41480 
1 1 1  -15   15   13 o  122.665   5.6942  156.128   13.610 -32.60275 11.38841 
1 1 1  -15   15   14 o   31.752   9.7387 -23.5431   14.011 -22.06988 19.47742 
1 1 1  -15   15   15 o  375.757   4.2664  1411.87   31.993 19.57620 8.532801 
1 1 1  -15   15   16 o  121.455   6.2194  151.269   14.868 -27.45234 12.43878 
1 1 1  -15   15   17 o   85.115   7.8233   76.938   12.939 -17.71523 15.64657 
1 1 1  -15   15   18 o  108.273   6.2406  122.070   13.209 -13.49203 12.48111 
1 1 1  -15   15   19 o   84.380   7.7581   71.757   12.879 6.717072 15.51621 
1 1 1  -15   15   20 o  110.201   6.2224  125.897   13.500 -6.296577 12.44475 
1 1 1  -15   15   21 o   50.252   11.832   26.454   13.819 1.043015 23.66353 
1 1 1  -15   15   22 o   66.662   10.864   49.317   13.953 -1.714241 21.72753 
1 1 1  -15   15   23 o   71.748   10.299   56.025   14.097 6.880997 20.59755 
1 1 1  -15   15   24 o   38.004   11.207   5.3243   14.304 -3.875294 22.41331 
1 1 1  -15   15   25 o  101.990   7.1986  107.656   14.568 -7.022881 14.39728 
1 1 1  -15   15   26 o  114.212   5.7969  133.970   12.484 -3.281586 11.59383 
1 1 1  -15   16    1 o  279.585   3.9756  706.696   21.053 -90.21021 7.951269 
1 1 1  -15   16    2 o  238.228   5.3192  568.464   25.344      ?      ? 
1 1 1  -15   16    3 o  292.738   5.3656  858.435   31.414      ?      ? 
1 1 1  -15   16    4 o  237.438   5.2609  564.875   24.983      ?      ? 
1 1 1  -15   16    5 o  117.984   8.0778  140.181   19.061      ?      ? 
1 1 1  -15   16    6 o  205.570   5.5519  425.416   22.826      ?      ? 
1 1 1  -15   16    7 o  222.213   3.7388  494.948   16.523 10.23935 7.477621 
1 1 1  -15   16    8 o  120.307   5.3617  148.887   12.621 -12.51698 10.72332 
1 1 1  -15   16    9 o   53.363   10.036   31.817   11.661 -21.82315 20.07242 
1 1 1  -15   16   10 o   99.844   9.0204  101.387   18.013      ?      ? 
1 1 1  -15   16   11 o  161.333   4.0709  263.135   13.084 -8.202042 8.141712 
1 1 1  -15   16   12 o  211.576   3.8760  454.550   16.377 -12.71513 7.751995 
1 1 1  -15   16   13 o   85.626   9.6912   85.873   14.672 -60.96525 19.38232 
1 1 1  -15   16   14 o  238.184   4.0263  567.360   19.145 17.24113 8.052533 
1 1 1  -15   16   15 o  142.223   5.3133  207.676   14.774 -36.85873 10.62667 
1 1 1  -15   16   16 o  140.468   5.0335  200.408   13.917 -32.99183 10.06697 
1 1 1  -15   16   17 o  101.821   6.4857  107.337   13.014 -9.553490 12.97138 
1 1 1  -15   16   18 o  118.301   5.7521  138.663   13.439 16.46848 11.50425 
1 1 1  -15   16   19 f   26.991   9.0368 -18.1938   12.690 2.702103 18.07357 
1 1 1  -15   16   20 o   96.439   7.2045   96.903   13.509 -6.704147 14.40906 
1 1 1  -15   16   21 o   93.134   7.6452   90.855   13.888 -6.190048 15.29034 
1 1 1  -15   16   22 o   64.922   10.787   48.320   13.670 -11.17795 21.57386 
1 1 1  -15   16   23 o  102.016   7.1472  107.190   14.417 1.015831 14.29440 
1 1 1  -15   16   24 o  132.296   5.7557  178.394   15.099 0.8159943 11.51139 
1 1 1  -15   16   25 o  100.465   7.2743  103.414   14.579 4.630676 14.54869 
1 1 1  -15   16   26 o   91.592   7.3903  110.277   13.238 -10.15491 14.78050 
1 1 1  -15   17    1 o  138.422   5.3159  193.974   14.629 -0.7042847 10.63172 
1 1 1  -15   17    2 o  149.045   4.9641  225.959   14.706 6.793488 9.928242 
1 1 1  -15   17    3 o  153.440   4.7440  237.059   14.477 -7.685379 9.488029 
1 1 1  -15   17    4 o  174.717   5.6682  307.697   19.806      ?      ? 
1 1 1  -15   17    5 o  145.727   6.3213  214.091   18.424      ?      ? 
1 1 1  -15   17    6 o  136.960   6.7038  189.202   18.363      ?      ? 
1 1 1  -15   17    7 o   82.484   7.2336   72.530   11.395 -21.34825 14.46719 
1 1 1  -15   17    8 o   49.450   10.378   26.287   11.166 -8.203514 20.75543 
1 1 1  -15   17    9 o  103.300   5.7813  108.084   11.832 1.142021 11.56264 
1 1 1  -15   17   10 o  185.930   3.7732  350.221   14.017 -8.299866 7.546311 
1 1 1  -15   17   11 o  109.304   8.2676  121.113   18.074      ?      ? 
1 1 1  -15   17   12 o  173.087   4.5143  295.381   15.215 55.84959 9.028574 
1 1 1  -15   17   13 o  116.079   6.3519  136.906   14.553 24.59686 12.70374 
1 1 1  -15   17   14 o  213.246   4.1088  454.387   17.357 -41.53625 8.217509 
1 1 1  -15   17   15 o   63.119   10.337   43.954   12.777 -0.3996964 20.67417 
1 1 1  -15   17   16 o  240.427   3.6846  582.844   17.691 -13.88742 7.369174 
1 1 1  -15   17   17 o  122.200   5.4456  152.852   13.058 -8.790703 10.89127 
1 1 1  -15   17   18 o   22.802   7.9718 -37.1732   12.355 7.508526 15.94368 
1 1 1  -15   17   19 o  164.023   4.3948  269.296   14.136 7.435028 8.789649 
1 1 1  -15   17   20 o  113.602   6.2636  135.498   13.720 -13.86093 12.52729 
1 1 1  -15   17   21 f  171.697   4.4541  297.696   15.107 3.227615 8.908257 
1 1 1  -15   17   22 o   35.419   10.474   1.2089   13.422 -10.37663 20.94835 
1 1 1  -15   17   23 o  188.469   4.2363  358.763   15.894 2.895920 8.472525 
1 1 1  -15   17   24 o  108.847   6.5801  119.315   14.181 10.89402 13.16018 
1 1 1  -15   17   25 o   94.531   7.6268   95.395   14.396 -4.433464 15.25356 
1 1 1  -15   18    1 o  124.075   5.4826  155.585   13.522 -1.025528 10.96528 
1 1 1  -15   18    2 o   77.251   9.0412   65.554   13.014 26.99646 18.08236 
1 1 1  -15   18    3 o  150.074   4.7128  228.493   14.044 8.261169 9.425552 
1 1 1  -15   18    4 o  290.549   5.1662  848.958   30.021      ?      ? 
1 1 1  -15   18    5 o  163.756   5.9001  270.097   19.323      ?      ? 
1 1 1  -15   18    6 o  113.161   7.7301  129.651   17.495      ?      ? 
1 1 1  -15   18    7 o  265.454   5.0375  709.555   26.744      ?      ? 
1 1 1  -15   18    8 o  178.841   3.8950  324.391   13.912 0.3420868 7.790001 
1 1 1  -15   18    9 o   32.386   9.8874  -1.4302   11.835 -4.003967 19.77472 
1 1 1  -15   18   10 o  158.493   4.4407  244.763   13.613 57.48399 8.881467 
1 1 1  -15   18   11 o  132.899   5.8983  171.860   13.231 101.6915 11.79670 
1 1 1  -15   18   12 o  172.172   4.3064  298.789   14.646 -36.81802 8.612757 
1 1 1  -15   18   13 o  159.390   4.2296  258.781   13.354 -22.23090 8.459208 
1 1 1  -15   18   14 f   33.652   9.6024  -0.5235   11.867 -16.15600 19.20471 
1 1 1  -15   18   15 f  314.788   3.8160  996.866   23.958 2.399078 7.631957 
1 1 1  -15   18   16 o  133.290   4.9772  179.827   13.012 -1.182617 9.954402 
1 1 1  -15   18   17 o   30.953   9.7229  -5.0571   12.359 -4.205149 19.44581 
1 1 1  -15   18   18 o  141.832   4.8179  203.407   13.366 0.9133453 9.635866 
1 1 1  -15   18   19 o  126.164   5.3648  160.624   13.283 4.973022 10.72966 
1 1 1  -15   18   20 o   32.590   9.9495  -3.0658   12.738 -8.706766 19.89898 
1 1 1  -15   18   21 o  132.103   5.3761  179.025   13.998 -6.276199 10.75218 
1 1 1  -15   18   22 o   62.676   10.664   42.877   13.237 14.42920 21.32831 
1 1 1  -15   18   23 o  111.511   6.1893  128.227   13.594 -9.654190 12.37851 
1 1 1  -15   18   24 o  140.938   5.1604  205.538   14.322 -14.48795 10.32081 
1 1 1  -15   19    1 o  142.424   4.8236  203.663   13.639 -6.942078 9.647106 
1 1 1  -15   19    2 o  171.409   4.1813  296.916   14.213 3.079025 8.362531 
1 1 1  -15   19    3 o   88.120   7.3901   81.359   12.713 8.249893 14.78015 
1 1 1  -15   19    4 o   86.269   8.2199   82.535   13.112 22.41537 16.43982 
1 1 1  -15   19    5 o  227.536   5.2234  524.274   23.770      ?      ? 
1 1 1  -15   19    6 o  161.671   6.1092  263.645   19.753      ?      ? 
1 1 1  -15   19    7 o   66.173   9.1276   49.152   12.389 -50.35189 18.25514 
1 1 1  -15   19    8 o  213.796   3.6512  448.008   15.436 -35.11356 7.302465 
1 1 1  -15   19    9 o  205.477   3.6974  422.818   15.174 -10.73984 7.394812 
1 1 1  -15   19   10 o   83.369   7.4064   72.644   12.157 -10.37326 14.81280 
1 1 1  -15   19   11 o  104.881   5.9805  115.665   12.035 -14.83648 11.96100 
1 1 1  -15   19   12 o  119.858   5.1485  146.783   12.171 -4.554131 10.29707 
1 1 1  -15   19   13 o  120.684   5.2442  148.383   12.509 -3.649933 10.48833 
1 1 1  -15   19   14 f  130.488   4.8156  169.387   12.369 9.852806 9.631178 
1 1 1  -15   19   15 o   36.436   10.373   4.4109   11.714 14.28284 20.74522 
1 1 1  -15   19   16 o  100.138   6.4750  106.405   12.463 -18.19758 12.95005 
1 1 1  -15   19   17 o   52.949   14.339   30.772   15.557      ?      ? 
1 1 1  -15   19   18 o   34.325   10.057   1.0817   12.424 -11.19796 20.11467 
1 1 1  -15   19   19 o   83.723   7.5435   71.410   12.417 8.022209 15.08704 
1 1 1  -15   19   20 o  122.157   5.5586  153.132   13.365 -5.001839 11.11713 
1 1 1  -15   19   21 o  109.217   6.1664  123.108   13.299 -6.077789 12.33288 
1 1 1  -15   19   22 o  122.082   5.5087  149.255   13.355 15.07827 11.01731 
1 1 1  -15   19   23 o   45.715   10.507   20.721   12.372 -20.72271 21.01475 
1 1 1  -15   20    1 o  165.262   6.2108  274.581   20.528      ?      ? 
1 1 1  -15   20    2 o  218.884   3.8807  475.052   16.840 -19.00694 7.761343 
1 1 1  -15   20    3 o  199.390   4.0522  385.135   15.879 -42.57520 8.104466 
1 1 1  -15   20    4 f  182.325   5.7289  333.412   20.890      ?      ? 
1 1 1  -15   20    5 o  225.014   3.9167  507.921   17.539 29.72141 7.833344 
1 1 1  -15   20    6 f  118.692   5.7199  143.778   13.427 -15.02435 11.43979 
1 1 1  -15   20    7 o   67.306   13.962   49.069   18.164      ?      ? 
1 1 1  -15   20    8 o  233.317   3.6320  548.511   16.948 -2.628342 7.264081 
1 1 1  -15   20    9 o  182.910   3.7977  337.263   13.842 0.1904297E-01 7.595478 
1 1 1  -15   20   10 o   75.730   8.6385   68.899   11.489 -45.18103 17.27703 
1 1 1  -15   20   11 o  111.581   5.5013  130.128   11.893 -17.55032 11.00261 
1 1 1  -15   20   12 o  202.734   3.6489  408.904   14.604 12.62244 7.297832 
1 1 1  -15   20   13 o  104.524   5.8511  108.988   11.978 8.505791 11.70211 
1 1 1  -15   20   14 o   91.705   6.6709   87.255   11.867 -2.650215 13.34176 
1 1 1  -15   20   15 o   41.448   10.746   15.543   11.657 -3.024250 21.49109 
1 1 1  -15   20   16 f   69.362   9.1844   52.013   12.092 -5.489563 18.36872 
1 1 1  -15   20   17 o   76.283   8.9005   66.200   12.339 -23.67248 17.80103 
1 1 1  -15   20   18 o   92.260   6.7794   86.772   12.232 4.851166 13.55890 
1 1 1  -15   20   19 o   86.223   7.2024   75.975   12.157 3.737648 14.40483 
1 1 1  -15   20   20 o   46.171   10.463   21.774   12.333 -20.25986 20.92593 
1 1 1  -15   20   21 o  147.702   4.6409  220.063   13.515 1.669556 9.281781 
1 1 1  -15   20   22 o   38.459   10.495   9.8649   12.438 -12.15373 20.99061 
1 1 1  -15   21    1 o  231.195   5.3910  538.069   24.927      ?      ? 
1 1 1  -15   21    2 o  126.244   5.7723  162.178   14.541 1.324242 11.54455 
1 1 1  -15   21    3 o  160.612   6.4884  261.024   20.842      ?      ? 
1 1 1  -15   21    4 o  124.521   7.7840  157.780   19.385      ?      ? 
1 1 1  -15   21    5 o  103.729   9.1958  110.145   19.077      ?      ? 
1 1 1  -15   21    6 o  107.175   5.5670  115.740   11.867 14.91929 11.13397 
1 1 1  -15   21    7 o  205.062   3.5503  423.465   14.528 1.840561 7.100540 
1 1 1  -15   21    8 f   52.978   7.8540   29.922   11.254 -52.28431 15.70797 
1 1 1  -15   21    9 o  131.563   4.8679  181.251   12.358 -28.30919 9.735729 
1 1 1  -15   21   10 o  133.469   4.6668  176.454   12.288 13.97841 9.333552 
1 1 1  -15   21   11 o  168.033   3.9779  280.350   13.056 10.40340 7.955717 
1 1 1  -15   21   12 o   50.151   8.6838   28.554   11.450 -38.96878 17.36759 
1 1 1  -15   21   13 o  205.847   3.6975  423.983   14.984 7.724731 7.394992 
1 1 1  -15   21   14 o   37.463   10.070   9.9008   11.420 -11.59288 20.14030 
1 1 1  -15   21   15 o   67.954   9.2977   49.798   11.599 -4.014893 18.59542 
1 1 1  -15   21   16 o   99.696   6.2969   96.858   12.116 18.15958 12.59390 
1 1 1  -15   21   17 o   77.071   8.3333   63.654   11.889 -4.809883 16.66656 
1 1 1  -15   21   18 o   82.758   7.4593   68.079   12.102 18.48670 14.91854 
1 1 1  -15   21   19 o  160.842   4.3767  264.309   13.793 -9.318893 8.753347 
1 1 1  -15   21   20 o  153.207   4.5046  236.039   13.608 4.074585 9.009146 
1 1 1  -15   21   21 o   54.573   11.468   33.044   13.004 6.332630 22.93690 
1 1 1  -15   22    1 o  203.714   5.3016  418.549   21.600      ?      ? 
1 1 1  -15   22    2 o  139.197   6.6762  196.420   18.586      ?      ? 
1 1 1  -15   22    3 o  133.508   6.9631  180.915   18.593      ?      ? 
1 1 1  -15   22    4 o  174.729   5.9372  308.525   20.748      ?      ? 
1 1 1  -15   22    5 o  100.593   8.7432  103.318   17.590      ?      ? 
1 1 1  -15   22    6 f  235.230   3.4664  550.709   16.153 16.77031 6.932756 
1 1 1  -15   22    7 o  121.539   4.8993  146.462   11.750 12.87376 9.798646 
1 1 1  -15   22    8 o  105.705   8.6137  113.416   18.210      ?      ? 
1 1 1  -15   22    9 o   37.597   9.9897   9.6028   11.357 -13.66357 19.97950 
1 1 1  -15   22   10 o   37.943   9.8982   11.193   11.187 -14.18831 19.79643 
1 1 1  -15   22   11 o   63.649   9.3281   42.421   10.991 5.955070 18.65626 
1 1 1  -15   22   12 o   68.564   9.0993   52.147   11.398 -10.93884 18.19861 
1 1 1  -15   22   13 o   33.165   9.9806   2.4405   11.194 1.351135 19.96127 
1 1 1  -15   22   14 o   74.646   9.2912   73.046   11.593 -40.91985 18.58239 
1 1 1  -15   22   15 f   28.779   9.3529  -8.8777   11.634 3.651007 18.70573 
1 1 1  -15   22   16 o   89.616   7.1227   83.925   12.086 -4.489937 14.24537 
1 1 1  -15   22   17 o  120.483   5.3924  148.119   12.765 -1.409424 10.78481 
1 1 1  -15   22   18 o   78.235   8.0084   61.675   12.326 10.89648 16.01670 
1 1 1  -15   22   19 o   92.608   7.4312   85.202   13.096 9.760216 14.86240 
1 1 1  -15   22   20 o  116.091   6.0174  137.337   13.331 12.25464 12.03471 
1 1 1  -15   23    1 o  251.269   5.0234  634.564   25.245      ?      ? 
1 1 1  -15   23    2 o  162.446   5.8789  265.691   19.100      ?      ? 
1 1 1  -15   23    3 o  200.908   5.3669  405.934   21.565      ?      ? 
1 1 1  -15   23    4 o  228.082   5.0414  522.998   22.997      ?      ? 
1 1 1  -15   23    5 o   70.067   12.806   52.551   17.278      ?      ? 
1 1 1  -15   23    6 o   40.005   9.8612   14.508   10.891 -15.69931 19.72233 
1 1 1  -15   23    7 o   60.924   14.813   41.507   17.900      ?      ? 
1 1 1  -15   23    8 o   69.956   8.4173   51.349   11.134 0.9802246E-01 16.83453 
1 1 1  -15   23    9 o  109.465   5.5738  124.167   11.687 -8.427773 11.14760 
1 1 1  -15   23   10 f  136.846   4.6047  189.519   12.120 0.7414246E-01 9.209417 
1 1 1  -15   23   11 o  106.818   5.8946  118.737   11.914 -7.515770 11.78919 
1 1 1  -15   23   12 o   61.071   10.016   39.118   11.453 8.602055 20.03246 
1 1 1  -15   23   13 o   73.832   8.8900   61.639   11.546 -14.20648 17.77994 
1 1 1  -15   23   14 o   72.261   9.1939   60.134   11.791 -17.56900 18.38778 
1 1 1  -15   23   15 o   60.412   9.9313   42.918   11.999 -21.98065 19.86265 
1 1 1  -15   23   16 o   91.901   7.0224   89.272   12.430 -11.77001 14.04473 
1 1 1  -15   23   17 o  101.182   6.1634  101.381   12.293 20.11014 12.32671 
1 1 1  -15   23   18 o   56.254   10.877   35.809   12.681 -9.334332 21.75425 
1 1 1  -15   24    1 o  196.161   5.3452  388.555   20.971      ?      ? 
1 1 1  -15   24    2 o  174.091   5.7073  306.284   19.872      ?      ? 
1 1 1  -15   24    3 o  111.769   8.0134  127.325   17.913      ?      ? 
1 1 1  -15   24    4 o  141.144   6.7170  201.704   18.961      ?      ? 
1 1 1  -15   24    5 o  203.072   5.4259  415.703   22.037      ?      ? 
1 1 1  -15   24    6 o   51.362   15.895   28.613   17.985      ?      ? 
1 1 1  -15   24    7 o  104.018   5.8106  112.898   11.567 -9.478180 11.62117 
1 1 1  -15   24    8 o  117.763   5.2279  139.341   11.992 5.630859 10.45579 
1 1 1  -15   24    9 f   39.859   10.636   13.502   11.548 -2.645252 21.27215 
1 1 1  -15   24   10 o   30.118   13.910 -13.3364   19.684      ?      ? 
1 1 1  -15   24   11 f   68.107   10.465   48.183   14.255      ?      ? 
1 1 1  -15   24   12 o   89.944   7.2845   82.640   12.166 2.145622 14.56908 
1 1 1  -15   24   13 o  177.131   4.1483  312.097   14.244 10.62943 8.296580 
1 1 1  -15   24   14 o  155.656   4.3646  246.435   13.227 -3.935410 8.729244 
1 1 1  -15   24   15 o  232.913   3.6858  546.311   17.021 -0.3622284 7.371590 
1 1 1  -15   24   16 o  179.713   4.0996  326.750   14.631 -4.024139 8.199272 
1 1 1  -15   24   17 o   90.091   7.0480   87.345   12.495 -14.04927 14.09606 
1 1 1  -15   25    1 o  164.863   5.6778  274.543   18.721      ?      ? 
1 1 1  -15   25    2 o  122.001   7.1315  151.204   17.401      ?      ? 
1 1 1  -15   25    3 o  132.971   6.8340  179.358   18.175      ?      ? 
1 1 1  -15   25    4 f  155.456   6.2244  244.511   19.352      ?      ? 
1 1 1  -15   25    5 o  153.602   6.3704  238.848   19.570      ?      ? 
1 1 1  -15   25    6 o   88.481   10.724   81.110   18.977      ?      ? 
1 1 1  -15   25    7 o  109.464   5.8110  125.166   12.226 -10.55313 11.62199 
1 1 1  -15   25    8 o  105.739   6.0069  113.928   12.242 1.848251 12.01371 
1 1 1  -15   25    9 o  237.404   5.5770  569.666   26.480      ?      ? 
1 1 1  -15   25   10 o  151.474   4.4107  230.219   12.943 4.760040 8.821424 
1 1 1  -15   25   11 o  156.673   4.3200  250.006   13.164 -4.994232 8.640059 
1 1 1  -15   25   12 o   75.243   8.6201   62.292   11.959 -13.43605 17.24027 
1 1 1  -15   25   13 o   95.807   6.3661   92.119   11.925 7.043839 12.73216 
1 1 1  -15   25   14 o  119.337   5.1090  146.000   11.952 -7.709496 10.21793 
1 1 1  -15   25   15 o   81.890   10.799   70.522   17.686      ?      ? 
1 1 1  -15   26    1 o  100.494   8.3890  103.452   16.861      ?      ? 
1 1 1  -15   26    2 o   38.713   15.171   11.224   17.073      ?      ? 
1 1 1  -15   26    3 o   83.295   10.576   72.139   17.618      ?      ? 
1 1 1  -15   26    4 o  152.917   6.4857  237.330   19.836      ?      ? 
1 1 1  -15   26    5 o   55.641   16.016   34.638   18.788      ?      ? 
1 1 1  -15   26    6 o   55.201   16.067   33.844   18.804      ?      ? 
1 1 1  -15   26    7 o  119.521   5.2700  144.712   12.364 2.134468 10.54009 
1 1 1  -15   26    8 o  119.326   6.6363  144.415   15.838      ?      ? 
1 1 1  -15   26    9 o   95.791   9.8802   94.585   18.929      ?      ? 
1 1 1  -15   26   10 o  129.803   4.7811  169.626   12.188 3.392349 9.562105 
1 1 1  -15   26   11 o   94.287   6.3282   88.671   11.797 15.87031 12.65646 
1 1 1  -15   26   12 o   61.171   10.019   40.433   12.045 13.29946 20.03705 
1 1 1  -15   26   13 o   56.180   10.423   36.076   11.887 8.098213 20.84599 
1 1 1  -15   27    1 o  189.548   5.1569  362.331   19.549      ?      ? 
1 1 1  -15   27    2 o  155.595   5.8129  244.739   18.089      ?      ? 
1 1 1  -15   27    3 o  189.184   5.4099  361.331   20.469      ?      ? 
1 1 1  -15   27    4 o  155.724   6.1922  245.512   19.285      ?      ? 
1 1 1  -15   27    5 o  199.634   5.3929  402.059   21.532      ?      ? 
1 1 1  -15   27    6 o  147.325   6.4330  219.512   18.955      ?      ? 
1 1 1  -15   27    7 o  180.630   3.9140  329.525   14.109 -9.834427 7.827948 
1 1 1  -15   27    8 o  151.297   4.3421  231.732   13.098 -12.69012 8.684140 
1 1 1  -15   27    9 f  175.571   5.5203  310.920   19.384      ?      ? 
1 1 1  -15   27   10 o   41.900   10.281   14.653   11.755 -19.90012 20.56223 
1 1 1  -15   27   11 o  111.896   5.4913  147.954   12.159 -18.87885 10.98253 
1 1 1  -15   28    1 f  217.140   4.8360  474.337   21.002      ?      ? 
1 1 1  -15   28    2 o  158.107   5.5206  251.962   17.457      ?      ? 
1 1 1  -15   28    3 o  105.439   7.7239  112.944   16.288      ?      ? 
1 1 1  -15   28    4 o   93.085   8.9916   88.604   16.740      ?      ? 
1 1 1  -15   28    5 o  109.317   5.7629  121.006   12.532 -15.83643 11.52579 
1 1 1  -15   28    6 o   96.327   8.5065   95.335   16.388      ?      ? 
1 1 1  -15   28    7 o  206.920   5.0547  436.061   20.919      ?      ? 
1 1 1  -14    0    5 o  214.208   6.3454  460.552   27.132 -0.000000 0.000000 
1 1 1  -14    0    6 o  152.429   8.1503  234.760   24.697 -0.000000 0.000000 
1 1 1  -14    0    7 o  319.821   5.8997  1024.94   37.708 -0.000000 0.000000 
1 1 1  -14    0    8 f  301.484   5.8410  910.889   35.190 -0.000000 0.000000 
1 1 1  -14    0    9 o  344.997   5.9226  1192.56   40.839 -0.000000 0.000000 
1 1 1  -14    0   10 o  173.882   6.9598  304.247   24.119 -0.000000 0.000000 
1 1 1  -14    0   11 o  101.028   11.261  106.250   22.264 -0.000000 0.000000 
1 1 1  -14    0   12 o  234.926   5.8472  553.739   27.436 -0.000000 0.000000 
1 1 1  -14    0   13 o  285.918   5.5851  819.715   31.910 -0.000000 0.000000 
1 1 1  -14    0   14 o  181.841   6.2387  332.437   22.631 -0.000000 0.000000 
1 1 1  -14    0   15 o  206.172   5.7469  426.819   23.656 -0.000000 0.000000 
1 1 1  -14    0   16 o  292.721   5.3844  859.245   31.498 -0.000000 0.000000 
1 1 1  -14    0   17 o   12.194   9.1239 -65.7842   18.572 -0.000000 0.000000 
1 1 1  -14    0   18 f   23.717   15.814  -3.9593   19.526 -0.000000 0.000000 
1 1 1  -14    0   19 o   18.019   13.008 -30.4729   21.119 -0.000000 0.000000 
1 1 1  -14    0   20 o  290.527   5.8612  845.941   34.026 -0.000000 0.000000 
1 1 1  -14    0   21 o   18.891   13.633 -32.4774   23.082 -0.000000 0.000000 
1 1 1  -14    0   22 o  200.976   6.3445  406.757   25.446 -0.000000 0.000000 
1 1 1  -14    0   23 o   19.888   14.131 -23.1007   21.953 -0.000000 0.000000 
1 1 1  -14    0   24 f  218.426   6.5566  479.418   28.586 -0.000000 0.000000 
1 1 1  -14    0   25 o   18.223   13.195 -36.9208   23.159 -0.000000 0.000000 
1 1 1  -14    0   26 o  112.691   6.7081  133.589   14.170 -0.000000 0.000000 
1 1 1  -14    0   27 o   92.576   8.3459   85.699   14.522 -0.000000 0.000000 
1 1 1  -14    0   28 o   22.884   10.837  -9.2704   14.409 -0.000000 0.000000 
1 1 1  -14    0   29 o   38.926   14.518   21.133   14.995 -0.000000 0.000000 
1 1 1  -14    0   30 o  104.077   7.8758  117.176   15.545 -0.000000 0.000000 
1 1 1  -14    0   31 f   92.700   9.0722   92.610   15.901 -0.000000 0.000000 
1 1 1  -14    0   32 o   58.931   14.440   47.694   15.660 -0.000000 0.000000 
1 1 1  -14    1    5 f  364.770   4.3358  1333.27   31.632 -0.3525085 8.671696 
1 1 1  -14    1    6 o  195.620   4.6978  383.503   18.374 -2.253479 9.395606 
1 1 1  -14    1    7 o  306.763   4.1171  942.882   25.255 -0.3937683 8.234219 
1 1 1  -14    1    8 o  307.617   4.1536  948.259   25.554 -0.6008301 8.307161 
1 1 1  -14    1    9 o  116.355   7.1023  136.545   16.385 -19.51973 14.20460 
1 1 1  -14    1   10 o  421.840   4.6372  1783.12   39.103 7.535767 9.274486 
1 1 1  -14    1   11 o  164.934   5.0929  272.932   16.794 1.553970 10.18576 
1 1 1  -14    1   12 f  174.666   4.8516  306.724   16.926 -7.823685 9.703276 
1 1 1  -14    1   13 o  132.992   5.8354  177.994   15.515 2.346527 11.67077 
1 1 1  -14    1   14 o   44.636   11.665   14.784   14.261 -11.63436 23.33032 
1 1 1  -14    1   15 o  172.346   4.5245  298.349   15.591 -0.2512665 9.048949 
1 1 1  -14    1   16 o   34.926   10.677  -1.5944   13.671 -1.337616 21.35438 
1 1 1  -14    1   17 o   59.965   11.081   38.357   13.599 -12.98937 22.16289 
1 1 1  -14    1   18 o   54.615   11.596   31.064   13.919 -11.55977 23.19288 
1 1 1  -14    1   19 o   40.887   11.592   7.0539   15.362 11.81857 23.18375 
1 1 1  -14    1   20 o  276.425   4.1422  766.251   22.865 18.73978 8.284495 
1 1 1  -14    1   22 o  153.148   5.2211  236.792   15.974 -4.633636 10.44212 
1 1 1  -14    1   23 o   32.626   10.391 -15.3569   15.274 -12.63014 20.78117 
1 1 1  -14    1   24 o  180.603   5.1648  320.494   18.124 -60.80588 10.32953 
1 1 1  -14    1   25 o  150.579   4.7595  232.137   13.346 -5.297714 9.518970 
1 1 1  -14    1   26 o   56.149   10.456   37.556   11.883 -15.94139 20.91235 
1 1 1  -14    1   27 f  108.716   6.9510  119.327   15.114      ?      ? 
1 1 1  -14    1   28 o   69.772   8.8247   51.194   11.894 -2.245262 17.64932 
1 1 1  -14    1   29 o   41.261   10.272   15.998   10.596 7.575954 20.54347 
1 1 1  -14    1   30 o  101.257   5.4641  106.525   10.863 -16.36413 10.92813 
1 1 1  -14    1   31 o   47.910   10.507   24.278   11.130 8.396591 21.01343 
1 1 1  -14    1   32 o  105.340   5.4265  112.334   11.414 5.745720 10.85307 
1 1 1  -14    2    5 o  171.168   7.0139  293.774   24.011      ?      ? 
1 1 1  -14    2    6 o  151.982   5.5386  231.798   16.800 -13.04990 11.07712 
1 1 1  -14    2    7 o  129.642   6.4317  168.870   16.670 4.902328 12.86341 
1 1 1  -14    2    8 o  399.780   4.4990  1602.00   35.970 4.588135 8.997932 
1 1 1  -14    2    9 o  248.133   4.2417  615.701   21.007 -8.051285 8.483407 
1 1 1  -14    2   10 o  380.149   4.3970  1448.54   33.430 3.317108 8.794098 
1 1 1  -14    2   11 f  208.471   4.4725  435.400   18.567 26.42400 8.944947 
1 1 1  -14    2   12 o  211.701   4.3861  449.084   18.556 -10.95454 8.772155 
1 1 1  -14    2   13 o  241.811   4.0790  586.733   19.725 3.475769 8.157979 
1 1 1  -14    2   14 o  118.899   6.4542  143.895   15.133 22.56098 12.90831 
1 1 1  -14    2   15 o   29.536   9.7187 -18.2094   14.118 1.528498 19.43744 
1 1 1  -14    2   16 o  177.074   4.4099  315.145   15.613 4.836700 8.819881 
1 1 1  -14    2   17 o  119.887   5.9740  145.288   14.319 -2.285477 11.94805 
1 1 1  -14    2   18 o   34.148   10.473  -5.0532   13.811 -9.575945 20.94565 
1 1 1  -14    2   20 o  228.485   4.4665  520.138   20.004 62.71596 8.933052 
1 1 1  -14    2   21 o  184.196   4.7377  341.691   17.395 -11.80806 9.475492 
1 1 1  -14    2   22 o  180.384   4.5660  328.146   16.471 -2.497742 9.131937 
1 1 1  -14    2   23 o   83.294   9.0331   72.721   15.003 7.710869 18.06614 
1 1 1  -14    2   24 o  324.971   5.9259  379.443   22.673 -389.0845 11.85178 
1 1 1  -14    2   25 o   62.420   10.363   44.588   12.256 -12.92249 20.72647 
1 1 1  -14    2   26 o   69.211   9.7110   55.887   11.890 -17.37222 19.42197 
1 1 1  -14    2   27 o   36.667   10.382   6.9601   11.974 -6.264130 20.76498 
1 1 1  -14    2   28 o   35.278   10.271   5.0032   11.940 4.354088 20.54111 
1 1 1  -14    2   29 o   33.120   9.7196   3.9757   10.636 -2.254293 19.43912 
1 1 1  -14    2   30 o   41.861   10.017   16.660   10.627 -14.89224 20.03349 
1 1 1  -14    2   31 o   30.134   9.4289  -3.5080   11.244 -1.180622 18.85773 
1 1 1  -14    2   32 o   70.130   8.4329   52.294   11.421 -11.38196 16.86586 
1 1 1  -14    3    4 o  260.457   5.7962  679.611   30.193      ?      ? 
1 1 1  -14    3    5 o  494.658   7.3325  2454.23   72.542      ?      ? 
1 1 1  -14    3    6 o  309.408   4.1767  959.209   25.835 -0.7315979 8.353322 
1 1 1  -14    3    7 o  230.846   4.3189  533.121   19.909 -7.068710 8.637851 
1 1 1  -14    3    8 o  215.530   4.4124  464.825   18.972 -5.031174 8.824720 
1 1 1  -14    3    9 o  208.010   4.5140  432.076   18.738 -12.17148 9.028036 
1 1 1  -14    3   10 o  155.728   5.4593  244.192   16.710 37.60324 10.91867 
1 1 1  -14    3   11 o  215.403   4.3496  465.305   18.738 1.227798 8.699271 
1 1 1  -14    3   12 o  170.421   4.9037  291.737   16.709 -5.657440 9.807309 
1 1 1  -14    3   13 o  168.040   4.7740  283.516   16.040 -5.036758 9.547920 
1 1 1  -14    3   14 o  245.296   3.8903  603.309   19.082 -3.934814 7.780575 
1 1 1  -14    3   15 o   35.431   10.787  -1.0252   13.850 -0.1821175 21.57366 
1 1 1  -14    3   16 o   37.312   10.870   3.9863   13.350 -6.743996 21.73927 
1 1 1  -14    3   17 o  132.320   5.3948  177.097   14.196 -4.168915 10.78969 
1 1 1  -14    3   18 o  160.955   4.6832  260.993   15.067 -3.367569 9.366407 
1 1 1  -14    3   20 o  299.490   4.5698  707.853   24.254 177.1395 9.139670 
1 1 1  -14    3   21 o  108.935   7.1044  121.342   15.447 -5.642548 14.20887 
1 1 1  -14    3   22 o  131.073   5.8353  174.289   15.296 1.219147 11.67051 
1 1 1  -14    3   23 o   54.502   11.969   31.258   15.281 23.46072 23.93769 
1 1 1  -14    3   24 o  141.190   8.5554  200.680   24.159      ?      ? 
1 1 1  -14    3   25 o   90.347   7.5204   83.888   12.304 -0.2366638 15.04084 
1 1 1  -14    3   26 o  104.186   6.3186  110.140   11.959 1.124634 12.63712 
1 1 1  -14    3   27 o   97.204   6.7343   92.902   12.247 9.160004 13.46851 
1 1 1  -14    3   28 o  227.822   2.9772  521.329   13.558 2.620499 5.954490 
1 1 1  -14    3   29 o   49.708   10.025   26.416   10.796 15.06724 20.05010 
1 1 1  -14    3   30 o  115.701   4.8202  135.923   11.147 3.585197 9.640338 
1 1 1  -14    3   31 o   54.476   10.088   32.638   11.338 14.42805 20.17682 
1 1 1  -14    3   32 o   74.341   7.6095   57.064   11.304 2.759735 15.21906 
1 1 1  -14    4    4 o  222.240   6.2268  494.973   27.677      ?      ? 
1 1 1  -14    4    5 o  165.753   7.2889  275.582   24.163      ?      ? 
1 1 1  -14    4    6 o  414.933   4.6172  1725.41   38.309 8.418701 9.234459 
1 1 1  -14    4    7 o  241.839   4.2567  586.121   20.588 1.411575 8.513494 
1 1 1  -14    4    8 f  192.986   4.6774  373.404   18.021 -0.2587738 9.354764 
1 1 1  -14    4    9 f  329.490   4.1337  1087.45   27.230 -4.722565 8.267471 
1 1 1  -14    4   10 o  134.892   5.9726  183.701   15.828 32.48554 11.94524 
1 1 1  -14    4   11 o  313.200   4.0409  982.190   25.294 -13.23962 8.081745 
1 1 1  -14    4   12 o   93.871   7.8783   89.622   14.718 -6.273048 15.75666 
1 1 1  -14    4   13 o  161.063   4.7745  260.503   15.356 0.4935608 9.548956 
1 1 1  -14    4   14 o  162.530   4.6925  265.278   15.251 3.601181 9.384949 
1 1 1  -14    4   15 o   33.937   10.491  -3.7312   13.566 2.580303 20.98246 
1 1 1  -14    4   16 o  153.290   4.7953  236.083   14.683 4.743881 9.590644 
1 1 1  -14    4   17 o   60.095   10.821   38.184   13.298 18.11893 21.64190 
1 1 1  -14    4   18 o  222.480   3.9407  497.663   17.533 -2.492096 7.881444 
1 1 1  -14    4   20 o  127.020   9.5342  196.972   16.941 148.7937 19.06844 
1 1 1  -14    4   21 o   28.573   9.3582 -25.8377   13.844 -13.56864 18.71631 
1 1 1  -14    4   22 o  113.964   6.3395  131.612   14.409 4.726410 12.67902 
1 1 1  -14    4   23 f   40.381   11.361   5.1430   14.759 20.49657 22.72186 
1 1 1  -14    4   24 o  134.395   9.1718  182.205   24.653      ?      ? 
1 1 1  -14    4   25 o   52.060   11.319   27.624   11.893 7.407970 22.63756 
1 1 1  -14    4   26 o   23.624   11.111 -14.1033   13.630      ?      ? 
1 1 1  -14    4   27 o  101.560   6.5153  100.664   12.204 11.03101 13.03067 
1 1 1  -14    4   28 o  130.651   5.4524  177.963   12.762 -8.911430 10.90473 
1 1 1  -14    4   29 o   35.858   9.8419   7.1887   10.623 12.20665 19.68384 
1 1 1  -14    4   30 o   65.130   8.7532   45.924   10.974 -1.077927 17.50644 
1 1 1  -14    4   31 o  104.731   5.5102  112.359   11.472 -11.04765 11.02043 
1 1 1  -14    4   32 f  116.826   4.9888  138.603   11.644 -4.819603 9.977671 
1 1 1  -14    5    3 f  491.248   7.2837  2420.47   71.562      ?      ? 
1 1 1  -14    5    4 o  264.576   5.8976  701.408   31.207      ?      ? 
1 1 1  -14    5    5 o  363.400   6.0951  1323.51   44.299      ?      ? 
1 1 1  -14    5    6 o  168.957   4.9558  286.608   16.725 -4.184586 9.911604 
1 1 1  -14    5    7 o   74.304   10.678   57.886   15.559 -20.65519 21.35523 
1 1 1  -14    5    8 o  112.992   6.9322  128.790   15.620 -7.773705 13.86447 
1 1 1  -14    5    9 o  281.680   4.0377  794.966   22.745 2.877289 8.075377 
1 1 1  -14    5   10 o  432.862   4.6938  1879.77   40.635 -0.8879089 9.387628 
1 1 1  -14    5   11 o  335.086   4.1386  1125.66   27.725 7.206635 8.277267 
1 1 1  -14    5   12 o  334.314   4.0866  1121.29   27.321 2.573975 8.173235 
1 1 1  -14    5   13 o  352.370   4.1071  1243.95   28.921 11.57632 8.214180 
1 1 1  -14    5   14 o  231.535   3.8722  537.879   17.928 -4.201736 7.744315 
1 1 1  -14    5   15 o  176.086   4.3484  311.486   15.300 -0.1371765E-01 8.696860 
1 1 1  -14    5   16 o   53.856   11.260   29.418   13.221 15.50556 22.51969 
1 1 1  -14    5   17 o   89.357   7.4668   81.021   13.295 1.555862 14.93354 
1 1 1  -14    5   18 o   23.279   8.1394 -44.5157   13.911 4.224253 16.27887 
1 1 1  -14    5   19 o  306.496   4.0794  936.234   24.933 -24.53082 8.158710 
1 1 1  -14    5   21 o  124.713   5.6396  157.369   14.044 0.7900162 11.27912 
1 1 1  -14    5   22 o  219.155   4.0038  481.704   17.477 8.324066 8.007685 
1 1 1  -14    5   23 o   21.646   7.5532 -32.1762   11.347 0.5110970 15.10645 
1 1 1  -14    5   24 o  208.472   3.7665  434.223   14.412 2.338043 7.532978 
1 1 1  -14    5   25 o  149.751   4.6845  227.034   12.630 -0.7622986 9.368944 
1 1 1  -14    5   26 o   49.289   11.197   25.803   11.921 -3.406052 22.39308 
1 1 1  -14    5   27 o  180.722   4.2496  330.498   13.804 -0.7830963 8.499181 
1 1 1  -14    5   28 o   42.812   11.120   17.022   12.064 -1.496605 22.23993 
1 1 1  -14    5   29 o   37.366   10.920   2.3372   12.247 17.52631 21.84026 
1 1 1  -14    5   30 o   91.127   6.0364   85.011   10.980 -0.6403351 12.07273 
1 1 1  -14    5   31 o  100.554   5.7168  102.952   11.495 0.9341049 11.43356 
1 1 1  -14    5   32 o   43.371   10.602   19.002   11.203 0.3000336 21.20396 
1 1 1  -14    6    3 o  341.241   5.9609  1166.88   40.682      ?      ? 
1 1 1  -14    6    4 o  509.542   7.5118  2605.10   76.552      ?      ? 
1 1 1  -14    6    5 o  276.251   5.9179  764.777   32.697      ?      ? 
1 1 1  -14    6    6 o  149.614   5.5945  224.954   16.706 -11.59686 11.18903 
1 1 1  -14    6    7 o  200.884   4.3795  404.445   17.581 -11.02237 8.758909 
1 1 1  -14    6    8 f  103.086   7.5081  107.387   15.399 12.07315 15.01620 
1 1 1  -14    6    9 o  225.234   4.1236  508.484   18.574 -3.575577 8.247243 
1 1 1  -14    6   10 o  234.134   4.0768  549.385   19.057 -19.07489 8.153598 
1 1 1  -14    6   11 o  340.467   4.0894  1163.06   27.842 0.8349609E-01 8.178830 
1 1 1  -14    6   12 o  261.366   3.8766  685.299   20.258 -6.748566 7.753191 
1 1 1  -14    6   13 o  328.258   3.9564  1080.86   25.972 1.030243 7.912721 
1 1 1  -14    6   14 o   61.437   10.335   40.203   13.595 -30.40557 20.67000 
1 1 1  -14    6   15 o  312.184   3.8503  978.290   24.028 0.8872681 7.700509 
1 1 1  -14    6   16 o  118.863   5.7621  141.282   13.622 10.87128 11.52422 
1 1 1  -14    6   17 o   55.028   11.261   32.087   13.038 1.987801 22.52186 
1 1 1  -14    6   19 f  217.823   4.3022  472.812   18.611 -36.33580 8.604454 
1 1 1  -14    6   20 f  165.364   4.8255  278.022   15.895 -13.75137 9.650970 
1 1 1  -14    6   21 o  138.412   5.3255  194.975   14.605 -7.725601 10.65103 
1 1 1  -14    6   22 o  216.163   4.0613  468.308   17.455 11.39038 8.122524 
1 1 1  -14    6   23 o   40.576   10.908   11.739   11.383 7.745773 21.81602 
1 1 1  -14    6   24 o   51.897   10.925   24.163   11.805 23.69193 21.85000 
1 1 1  -14    6   25 o  190.116   4.1774  363.372   15.884      ?      ? 
1 1 1  -14    6   26 o  215.027   3.7430  460.417   14.600 4.504761 7.485988 
1 1 1  -14    6   27 o   71.230   9.8777   54.621   12.180 -2.062469 19.75533 
1 1 1  -14    6   28 o   41.619   11.168   14.832   12.039 1.896633 22.33543 
1 1 1  -14    6   29 o   44.074   12.084   13.849   15.267 12.07909 24.16715 
1 1 1  -14    6   30 o  168.561   4.5194  285.214   14.023 2.929337 9.038879 
1 1 1  -14    6   31 o  107.634   5.4100  117.640   11.623 8.873848 10.82009 
1 1 1  -14    6   32 o   96.500   5.7919   96.238   11.172 -4.202995 11.58376 
1 1 1  -14    7    3 o  277.589   5.8486  772.161   32.470      ?      ? 
1 1 1  -14    7    4 o  376.415   6.2406  1420.27   46.981      ?      ? 
1 1 1  -14    7    5 o  361.396   6.1423  1309.10   44.396      ?      ? 
1 1 1  -14    7    6 o  240.825   6.0553  581.268   29.165      ?      ? 
1 1 1  -14    7    7 o  130.974   6.0297  173.310   15.693 -8.909531 12.05949 
1 1 1  -14    7    8 o  144.727   5.5232  211.373   15.901 -9.392212 11.04645 
1 1 1  -14    7    9 o  186.296   4.5179  348.254   16.828 -5.998489 9.035793 
1 1 1  -14    7   10 o  311.933   4.0080  975.329   24.994 -8.606720 8.015938 
1 1 1  -14    7   11 f  241.378   3.9201  584.544   18.914 -1.816940 7.840105 
1 1 1  -14    7   12 o  159.889   4.7263  256.638   15.103 1.657227 9.452653 
1 1 1  -14    7   13 o  185.552   4.2349  344.179   15.680 16.22165 8.469872 
1 1 1  -14    7   14 f   51.994   11.521   27.812   13.325 -2.221664 23.04119 
1 1 1  -14    7   15 o  163.771   4.4734  269.181   14.554 2.820663 8.946763 
1 1 1  -14    7   16 o   62.756   10.563   43.062   13.183 -14.07426 21.12681 
1 1 1  -14    7   17 o  260.459   3.8639  681.623   20.099 3.087555 7.727822 
1 1 1  -14    7   18 o  121.387   6.7387  154.322   15.641 -37.92194 13.47738 
1 1 1  -14    7   19 o  126.297   6.6802  160.895   16.080 51.51392 13.36048 
1 1 1  -14    7   20 o  189.911   4.3580  364.714   16.506 -10.56575 8.715961 
1 1 1  -14    7   21 o   84.835   8.4388   73.420   14.110 4.274979 16.87766 
1 1 1  -14    7   22 o   26.044   8.8760 -30.0190   14.319 -4.459513 17.75191 
1 1 1  -14    7   23 o  145.162   5.1552  212.529   13.413 -1.534317 10.31037 
1 1 1  -14    7   24 o  188.717   4.2010  361.973   14.418 -3.629913 8.402071 
1 1 1  -14    7   25 o  141.344   4.9888  203.314   12.457 -1.828583 9.977665 
1 1 1  -14    7   26 o   62.155   10.276   31.789   12.071 40.36793 20.55278 
1 1 1  -14    7   27 o   67.173   10.003   42.685   11.977 23.00772 20.00538 
1 1 1  -14    7   28 o   88.270   7.7291   78.465   12.289 4.567986 15.45827 
1 1 1  -14    7   29 o   95.950   8.2548   98.475   15.409 -12.63181 16.50967 
1 1 1  -14    7   30 f   50.588   10.861   29.759   12.554 -15.91786 21.72272 
1 1 1  -14    7   31 o  115.364   6.0509  130.288   13.221 13.05720 12.10189 
1 1 1  -14    7   32 o   56.846   10.600   80.319   12.715 -20.22591 21.20029 
1 1 1  -14    8    2 o  262.536   5.8671  690.709   30.807      ?      ? 
1 1 1  -14    8    3 o  326.747   5.9171  1069.93   38.668      ?      ? 
1 1 1  -14    8    4 o  335.888   6.0389  1130.73   40.568      ?      ? 
1 1 1  -14    8    5 o  282.944   5.9873  802.332   33.882      ?      ? 
1 1 1  -14    8    6 o  358.410   6.0678  1287.57   43.495      ?      ? 
1 1 1  -14    8    7 o  202.108   4.4290  411.012   17.813 -23.06898 8.858097 
1 1 1  -14    8    8 o   99.600   7.7845  101.458   15.303 -13.91524 15.56897 
1 1 1  -14    8    9 o  136.209   5.7291  188.078   15.480 -17.34088 11.45814 
1 1 1  -14    8   10 o   89.700   8.1362   82.358   14.442 -11.36403 16.27230 
1 1 1  -14    8   11 o   49.481   11.647   23.924   13.642 -6.029663 23.29492 
1 1 1  -14    8   12 o  323.208   3.9178  1046.69   25.296 7.831818 7.835539 
1 1 1  -14    8   13 o  128.345   5.4207  165.994   13.894 -2.315598 10.84138 
1 1 1  -14    8   14 o  136.193   5.1070  187.403   13.844 -5.544540 10.21393 
1 1 1  -14    8   15 o   88.619   7.5117   80.030   13.211 -2.052284 15.02332 
1 1 1  -14    8   16 o   98.803   6.9141   97.664   13.451 24.59919 13.82813 
1 1 1  -14    8   18 o  229.012   4.2148  525.651   19.264 -0.5788269 8.429550 
1 1 1  -14    8   19 o  186.877   4.6526  354.147   17.306 -10.60513 9.305271 
1 1 1  -14    8   20 o   28.314   9.4521 -20.6781   13.741 4.454714 18.90412 
1 1 1  -14    8   21 o  160.820   4.8538  262.870   15.328 -6.150497 9.707544 
1 1 1  -14    8   22 o  133.853   6.0861  183.533   15.958 -5.941360 12.17228 
1 1 1  -14    8   23 o   63.628   10.580   51.359   13.595 -33.02983 21.16027 
1 1 1  -14    8   24 o  189.780   4.4296  362.161   16.813      ?      ? 
1 1 1  -14    8   25 o   45.583   11.281   20.425   11.797 -0.2117920E-01 22.56104 
1 1 1  -14    8   26 o  131.019   5.7516  183.997   12.672 -14.51239 11.50330 
1 1 1  -14    8   27 o   65.963   10.161   51.431   11.842 -17.04759 20.32145 
1 1 1  -14    8   28 o   69.912   9.8129   51.802   12.163 -0.4073944 19.62581 
1 1 1  -14    8   29 o   98.845   7.1671  100.625   12.712 -0.2853928 14.33422 
1 1 1  -14    8   30 f   26.547   8.9587 -19.6117   12.574 2.070559 17.91747 
1 1 1  -14    8   31 f   78.978   9.3447   72.332   12.490 -19.61674 18.68948 
1 1 1  -14    9    2 o  162.066   7.4651  263.551   24.197      ?      ? 
1 1 1  -14    9    3 o  349.516   6.0060  1224.32   41.983      ?      ? 
1 1 1  -14    9    4 o  256.987   5.9357  661.889   30.508      ?      ? 
1 1 1  -14    9    5 o  302.373   5.8226  916.364   35.212      ?      ? 
1 1 1  -14    9    6 o  218.651   6.0955  479.398   26.656      ?      ? 
1 1 1  -14    9    7 o  177.206   4.7003  316.405   16.593 -11.34747 9.400608 
1 1 1  -14    9    8 o  166.706   4.7461  278.855   15.809 3.602310 9.492175 
1 1 1  -14    9    9 o   98.574   7.4724   98.854   14.637 -10.16148 14.94486 
1 1 1  -14    9   10 o  236.308   3.9251  560.065   18.550 -1.262146 7.850259 
1 1 1  -14    9   11 o  304.902   3.8583  931.366   23.504 7.851746 7.716514 
1 1 1  -14    9   12 o  190.700   4.1266  364.984   15.725 1.205231 8.253231 
1 1 1  -14    9   13 o  177.827   4.2441  318.358   15.059 -7.638733 8.488182 
1 1 1  -14    9   14 o  186.785   4.0893  349.200   15.211 7.598114 8.178526 
1 1 1  -14    9   15 o   70.989   9.4521   53.019   12.888 4.431931 18.90428 
1 1 1  -14    9   16 o  138.289   5.4475  194.073   15.017 -9.753128 10.89502 
1 1 1  -14    9   17 o  132.047   6.5503  184.394   16.444 -37.18423 13.10064 
1 1 1  -14    9   18 o  139.120   6.0481  187.508   16.452 40.05296 12.09628 
1 1 1  -14    9   19 o   34.232   10.521  -4.9621   14.357 -8.476311 21.04249 
1 1 1  -14    9   20 o   92.432   7.9266   88.718   14.096 -4.923302 15.85328 
1 1 1  -14    9   21 o   30.508   10.000 -13.2905   14.249 2.107111 20.00027 
1 1 1  -14    9   22 o  230.137   6.4233  531.687   29.565      ?      ? 
1 1 1  -14    9   23 o  140.743   5.4873  201.852   13.974 -1.713165 10.97469 
1 1 1  -14    9   24 o   25.376   8.6583 -21.9604   12.101 3.174166 17.31654 
1 1 1  -14    9   25 o  127.770   9.5513  166.227   24.407      ?      ? 
1 1 1  -14    9   26 o  159.947   4.7325  264.274   13.193 -6.896759 9.465091 
1 1 1  -14    9   27 o   32.574   10.204  -2.9335   11.648 10.19580 20.40746 
1 1 1  -14    9   28 o   39.692   11.146   10.429   12.011 8.715172 22.29202 
1 1 1  -14    9   29 o   99.180   7.3092  105.112   12.786 -9.330505 14.61848 
1 1 1  -14    9   30 o   97.330   6.9149   91.416   12.612 15.45995 13.82971 
1 1 1  -14    9   31 o   66.244   10.065   50.194   12.489 -12.77109 20.12926 
1 1 1  -14   10    1 o  228.145   5.9266  521.694   27.042      ?      ? 
1 1 1  -14   10    2 o  293.231   5.7131  861.717   33.505      ?      ? 
1 1 1  -14   10    3 o  334.435   5.8716  1121.16   39.273      ?      ? 
1 1 1  -14   10    4 o  263.871   5.8089  698.049   30.656      ?      ? 
1 1 1  -14   10    5 o  525.568   7.6607  2775.69   80.524      ?      ? 
1 1 1  -14   10    6 o  310.179   5.7567  965.079   35.712      ?      ? 
1 1 1  -14   10    7 o  138.285   5.5872  192.743   15.427 -5.838455 11.17434 
1 1 1  -14   10    8 o  150.468   5.0526  228.110   15.165 -10.42203 10.10519 
1 1 1  -14   10    9 o  265.335   3.8341  705.910   20.343 1.694763 7.668115 
1 1 1  -14   10   10 o  291.179   3.8490  849.951   22.404 5.307495 7.697976 
1 1 1  -14   10   11 o  157.978   4.5794  251.341   14.426 -5.764923 9.158795 
1 1 1  -14   10   12 o  104.003   6.4171  109.377   13.300 -1.112480 12.83427 
1 1 1  -14   10   13 o   31.459   9.9700  -7.9680   13.093 -2.493870 19.94010 
1 1 1  -14   10   14 o   95.775   6.9460   93.617   13.207 -6.976158 13.89194 
1 1 1  -14   10   15 o  101.652   6.7933  104.990   13.778 -0.5024872 13.58663 
1 1 1  -14   10   17 o  259.309   4.1512  666.471   21.365 21.88603 8.302476 
1 1 1  -14   10   18 o  121.550   6.8332  156.992   15.966 -24.66806 13.66638 
1 1 1  -14   10   19 o   80.061   9.6116   70.998   13.978 -16.36719 19.22313 
1 1 1  -14   10   20 o   94.673   7.8024   90.622   14.404 5.534668 15.60487 
1 1 1  -14   10   21 o   29.172   9.7864 -29.9690   15.129 12.41248 19.57279 
1 1 1  -14   10   22 o  283.355   6.0682  806.747   34.389      ?      ? 
1 1 1  -14   10   23 o   93.612   8.0944   89.235   15.155      ?      ? 
1 1 1  -14   10   24 o   31.701   9.6063  -2.9994   12.057 -8.609499 19.21269 
1 1 1  -14   10   25 o   45.733   10.512   4.5906   11.991 41.09328 21.02454 
1 1 1  -14   10   26 o   49.268   10.142   28.931   11.915 -22.89680 20.28374 
1 1 1  -14   10   27 o   45.098   11.287   17.557   11.572 13.07470 22.57389 
1 1 1  -14   10   28 o   44.098   11.373   18.522   12.091 2.497986 22.74631 
1 1 1  -14   10   29 o   67.370   10.193   45.358   12.515 17.99709 20.38501 
1 1 1  -14   10   30 o   83.433   7.9267   66.111   12.547 20.70291 15.85333 
1 1 1  -14   10   31 o   41.592   10.854   27.387   12.450 -9.495392 21.70820 
1 1 1  -14   11    1 o  212.361   6.0205  452.312   25.570      ?      ? 
1 1 1  -14   11    2 o  349.861   5.8966  1227.65   41.260      ?      ? 
1 1 1  -14   11    3 o  262.073   5.6756  688.817   29.749      ?      ? 
1 1 1  -14   11    4 o  155.973   7.1942  244.486   22.442      ?      ? 
1 1 1  -14   11    5 o  306.741   5.6010  943.876   34.361      ?      ? 
1 1 1  -14   11    6 o  221.493   5.7078  492.191   25.285      ?      ? 
1 1 1  -14   11    7 o  212.944   4.0284  454.839   17.155 3.039795 8.056729 
1 1 1  -14   11    8 o  202.497   4.0693  411.197   16.474 2.913193 8.138618 
1 1 1  -14   11    9 o  325.012   3.9472  1059.47   25.652 5.023865 7.894401 
1 1 1  -14   11   10 o  206.530   4.0215  428.047   16.608 2.199615 8.043094 
1 1 1  -14   11   11 o  278.501   3.7500  778.506   20.885 -5.335785 7.500082 
1 1 1  -14   11   12 o   73.873   9.2319   57.392   13.205 -10.13843 18.46377 
1 1 1  -14   11   13 f  135.822   5.1758  185.915   14.016 -0.2453613E-01 10.35156 
1 1 1  -14   11   14 o  145.238   4.9445  213.699   14.269 -8.198517 9.888976 
1 1 1  -14   11   15 o  168.707   4.8539  290.492   16.184 -23.13486 9.707825 
1 1 1  -14   11   16 o  225.035   4.1824  489.884   18.470 41.66408 8.364829 
1 1 1  -14   11   17 o   25.452   8.8774 -48.8684   15.791 7.123882 17.75488 
1 1 1  -14   11   18 o  196.927   4.2392  390.289   16.532 0.6606445 8.478354 
1 1 1  -14   11   19 o  148.111   5.0882  215.420   14.699 18.01843 10.17637 
1 1 1  -14   11   20 f   23.333   8.1990 -49.7116   15.120 -2.679316 16.39790 
1 1 1  -14   11   21 o  340.059   4.3384  1137.25   29.200 -62.27936 8.676830 
1 1 1  -14   11   22 o  113.537   6.6882  141.793   13.120 -19.57224 13.37638 
1 1 1  -14   11   23 o   64.312   10.388   40.091   11.801 17.55386 20.77680 
1 1 1  -14   11   24 o   99.764   6.5598   85.087   11.740 36.67236 13.11954 
1 1 1  -14   11   25 o   64.805   8.3995   68.428   11.491 -62.73089 16.79905 
1 1 1  -14   11   26 o   91.638   7.3445   88.844   11.435 -6.059319 14.68904 
1 1 1  -14   11   27 o   38.364   10.627   11.224   11.401 -1.671947 21.25362 
1 1 1  -14   11   28 o   56.846   10.796   36.933   11.812 -7.003563 21.59247 
1 1 1  -14   11   29 o   45.216   11.271   20.461   12.288 -2.450832 22.54134 
1 1 1  -14   11   30 o   88.355   7.0657   78.083   12.144 9.905296 14.13146 
1 1 1  -14   12    1 o  283.077   5.5360  803.808   31.342      ?      ? 
1 1 1  -14   12    2 o  209.038   5.8591  438.486   24.496      ?      ? 
1 1 1  -14   12    3 o  354.296   5.8738  1259.60   41.621      ?      ? 
1 1 1  -14   12    4 o  270.513   5.4059  733.865   29.247      ?      ? 
1 1 1  -14   12    5 o  220.473   5.5841  487.532   24.623      ?      ? 
1 1 1  -14   12    6 o  249.055   5.4122  622.041   26.959      ?      ? 
1 1 1  -14   12    7 o  115.419   6.0277  134.251   13.900 -0.7293320 12.05549 
1 1 1  -14   12    8 o  251.867   3.7837  634.018   19.023 16.18071 7.567496 
1 1 1  -14   12    9 o  314.613   3.8662  992.812   24.316 5.057007 7.732467 
1 1 1  -14   12   10 f  202.145   3.9479  410.131   15.954 2.889175 7.895728 
1 1 1  -14   12   11 o   58.114   10.754   36.441   12.713 -7.790428 21.50748 
1 1 1  -14   12   12 o  114.105   6.0862  136.465   13.369 -27.67669 12.17243 
1 1 1  -14   12   13 o  120.918   5.5740  147.689   13.472 -0.1547165 11.14796 
1 1 1  -14   12   14 o  155.803   4.9565  244.653   15.404 15.93652 9.913008 
1 1 1  -14   12   15 o  158.260   5.0674  254.562   15.817 -25.65895 10.13480 
1 1 1  -14   12   16 o   28.980   9.7283 -25.9720   15.241 2.086576 19.45664 
1 1 1  -14   12   17 o   76.742   10.010   66.634   14.448 -31.57111 20.02040 
1 1 1  -14   12   18 o  170.317   4.4158  290.311   14.862 7.648056 8.831675 
1 1 1  -14   12   19 o   49.610   11.676   26.147   13.841 -8.372749 23.35203 
1 1 1  -14   12   20 o  136.727   6.2097  192.947   16.549 -18.05515 12.41941 
1 1 1  -14   12   21 o  108.289   7.8734  125.073   16.291 -23.95762 15.74678 
1 1 1  -14   12   22 f  180.671   7.0866  331.099   25.607      ?      ? 
1 1 1  -14   12   23 o  142.934   5.2884  224.380   12.604 -24.08226 10.57682 
1 1 1  -14   12   24 o   93.219   7.1999   87.480   11.523 2.305161 14.39989 
1 1 1  -14   12   25 f  100.680   6.4943   97.964   11.395 10.28127 12.98850 
1 1 1  -14   12   26 o  201.893   6.4568  412.800   26.072      ?      ? 
1 1 1  -14   12   27 o   82.200   8.6023   75.742   11.555 -12.39070 17.20460 
1 1 1  -14   12   28 o   33.444   10.262   0.7251   11.762 4.882627 20.52468 
1 1 1  -14   12   29 o  106.146   6.3378  118.775   12.332 -10.41254 12.67557 
1 1 1  -14   12   30 f   78.389   7.7964   69.407   11.314 -21.82133 15.59288 
1 1 1  -14   13    1 o  267.459   5.4766  717.383   29.296      ?      ? 
1 1 1  -14   13    2 o  272.844   5.4642  746.558   29.817      ?      ? 
1 1 1  -14   13    3 o  249.207   5.3492  622.765   26.661      ?      ? 
1 1 1  -14   13    4 o  133.851   7.4205  180.151   19.865      ?      ? 
1 1 1  -14   13    5 o  168.412   6.1654  284.772   20.766      ?      ? 
1 1 1  -14   13    6 o  115.911   8.2788  135.386   19.192      ?      ? 
1 1 1  -14   13    7 o  256.019   3.6854  656.997   18.860 6.203445 7.370772 
1 1 1  -14   13    8 o   66.909   9.6848   49.436   12.869 -35.56325 19.36955 
1 1 1  -14   13    9 o  100.816   6.4641  103.430   12.956 -9.283951 12.92816 
1 1 1  -14   13   10 o  133.371   5.0306  179.240   13.409 -0.8132477 10.06125 
1 1 1  -14   13   11 o  158.056   4.4143  249.208   13.887 12.84145 8.828537 
1 1 1  -14   13   12 o  111.232   6.1293  126.390   13.431 -22.79854 12.25854 
1 1 1  -14   13   13 o  240.848   3.9002  582.987   18.774 12.89220 7.800381 
1 1 1  -14   13   14 o  142.800   5.7580  207.787   15.278 -69.93935 11.51604 
1 1 1  -14   13   15 o  104.742   7.0038  110.424   14.553 18.52293 14.00756 
1 1 1  -14   13   16 o   43.334   11.469   13.769   13.792 13.65831 22.93821 
1 1 1  -14   13   17 o   55.032   11.379   31.797   13.320 11.03661 22.75752 
1 1 1  -14   13   18 o  101.897   7.0585  108.821   14.009 -20.65446 14.11696 
1 1 1  -14   13   20 f  195.824   4.7949  385.738   18.137 68.20436 9.589870 
1 1 1  -14   13   21 o  100.453   10.002  103.749   20.094      ?      ? 
1 1 1  -14   13   22 o   33.294   15.137 -10.3389   22.054      ?      ? 
1 1 1  -14   13   23 o  182.411   3.9892  308.025   12.959 30.97360 7.978440 
1 1 1  -14   13   24 o  116.763   5.9689  148.107   11.770 -15.68899 11.93785 
1 1 1  -14   13   25 o  209.206   3.8044  420.830   13.932 19.28963 7.608772 
1 1 1  -14   13   26 o   26.767   9.0397 -16.4737   11.635 6.469275 18.07941 
1 1 1  -14   13   27 o  129.998   5.3259  162.005   12.358 15.73296 10.65179 
1 1 1  -14   13   28 f   90.495   7.7218   88.410   12.344 -10.49193 15.44354 
1 1 1  -14   13   29 o  100.364   7.0233  114.756   12.463 -32.43639 14.04654 
1 1 1  -14   14    1 o  408.184   4.4890  1670.86   36.590 -10.86523 8.977954 
1 1 1  -14   14    2 f  278.492   5.3653  778.065   29.884      ?      ? 
1 1 1  -14   14    3 f  353.886   5.7566  1257.07   40.744      ?      ? 
1 1 1  -14   14    4 o  247.034   5.3241  612.272   26.305      ?      ? 
1 1 1  -14   14    5 o  194.093   5.6083  378.150   21.770      ?      ? 
1 1 1  -14   14    6 o  249.917   5.2187  626.773   26.085      ?      ? 
1 1 1  -14   14    7 o  118.048   5.5406  142.668   12.849 -23.33533 11.08118 
1 1 1  -14   14    8 f  160.863   4.2398  259.840   13.629 4.301163 8.479589 
1 1 1  -14   14    9 o  156.536   4.3414  246.787   13.569 -8.044022 8.682840 
1 1 1  -14   14   10 o  129.079   5.1557  167.946   13.309 1.538330 10.31133 
1 1 1  -14   14   11 o  183.821   3.9819  338.657   14.606 10.40160 7.963825 
1 1 1  -14   14   12 f  170.108   4.6237  290.390   15.071 -66.20702 9.247429 
1 1 1  -14   14   13 o  196.175   4.0776  386.958   15.909 -24.24094 8.155162 
1 1 1  -14   14   14 o  137.158   5.0714  186.064   13.792 20.24699 10.14279 
1 1 1  -14   14   15 o  303.617   3.7838  924.175   22.832 10.67426 7.567695 
1 1 1  -14   14   16 o  187.749   4.1440  357.975   15.354 -11.45262 8.287913 
1 1 1  -14   14   17 o  367.317   4.1664  1359.02   30.602 -9.255615 8.332733 
1 1 1  -14   14   18 o   69.601   7.9162   53.144   15.382 -86.58109 15.83239 
1 1 1  -14   14   19 o  228.821   4.4959  485.987   19.448 105.9990 8.991706 
1 1 1  -14   14   20 o  128.467   6.1793  168.840   15.349 -43.83086 12.35857 
1 1 1  -14   14   21 o   22.048   7.7882 -49.6544   13.466 6.392906 15.57642 
1 1 1  -14   14   22 o   62.031   17.174   42.156   22.017      ?      ? 
1 1 1  -14   14   23 o   55.018   9.9680   37.675   11.449 -23.44022 19.93607 
1 1 1  -14   14   24 o  172.486   4.1404  299.134   12.681 0.8084259 8.280775 
1 1 1  -14   14   25 o  129.085   5.4598  178.142   12.060 -14.43575 10.91969 
1 1 1  -14   14   26 o   27.532   9.0834 -11.7916   11.635 1.204885 18.16679 
1 1 1  -14   14   27 o   78.848   9.2877   69.858   12.325 -12.07499 18.57549 
1 1 1  -14   14   28 o  113.106   5.9413  126.402   12.660 9.097565 11.88264 
1 1 1  -14   14   29 o   62.589   9.4838   48.640   11.596 -24.58190 18.96752 
1 1 1  -14   15    1 o  133.532   5.5693  179.948   14.772 1.748611 11.13858 
1 1 1  -14   15    2 o  210.769   5.4164  445.916   22.832      ?      ? 
1 1 1  -14   15    3 o  214.008   5.4236  459.796   23.214      ?      ? 
1 1 1  -14   15    4 o   88.011   10.522   78.659   18.522      ?      ? 
1 1 1  -14   15    5 o   71.395   13.276   53.847   18.248      ?      ? 
1 1 1  -14   15    6 o  167.747   6.0266  282.896   20.219      ?      ? 
1 1 1  -14   15    7 o  319.762   3.7695  1019.91   23.981 19.68912 7.538942 
1 1 1  -14   15    8 o  101.277   6.1876  105.602   12.284 -12.48104 12.37511 
1 1 1  -14   15    9 o  201.470   3.7852  407.372   15.208 3.463333 7.570482 
1 1 1  -14   15   10 o  183.747   4.1103  336.071   15.017 21.91301 8.220606 
1 1 1  -14   15   11 o  141.165   8.3628  222.131   15.163 -202.5229 16.72554 
1 1 1  -14   15   12 o  178.393   4.2723  321.993   14.938 -43.78070 8.544629 
1 1 1  -14   15   13 o  166.922   4.2804  280.153   14.218 2.339432 8.560787 
1 1 1  -14   15   14 o  135.038   4.8869  186.906   12.842 -9.955734 9.773843 
1 1 1  -14   15   15 o  214.293   3.6975  459.544   15.579 5.465759 7.395083 
1 1 1  -14   15   16 o  121.632   5.4789  149.510   13.191 1.981079 10.95773 
1 1 1  -14   15   18 o  184.549   5.9769  314.760   17.311 167.8767 11.95384 
1 1 1  -14   15   20 o   54.606   11.200   32.479   13.655 -19.29926 22.39993 
1 1 1  -14   15   21 o   50.892   11.673   26.919   13.486 3.531456 23.34637 
1 1 1  -14   15   22 o   49.504   9.8832   29.029   10.662 -17.61382 19.76635 
1 1 1  -14   15   23 o  120.202   5.2943  149.146   11.290 -5.347443 10.58866 
1 1 1  -14   15   24 o   68.417   9.2493   43.724   11.086 22.47784 18.49852 
1 1 1  -14   15   25 o   45.701   11.104   21.103   11.301 2.225372 22.20759 
1 1 1  -14   15   26 o   52.034   11.235   27.983   11.898 7.424232 22.47035 
1 1 1  -14   15   27 o   81.009   7.7418   62.726   12.016 21.44002 15.48364 
1 1 1  -14   15   28 o  127.213   5.2546  173.694   12.589 -29.54121 10.50915 
1 1 1  -14   16    1 o  246.978   3.7497  612.665   18.515 7.750717 7.499472 
1 1 1  -14   16    2 o  227.145   3.7626  517.842   17.083 10.96237 7.525129 
1 1 1  -14   16    3 o  172.530   5.8739  299.172   20.268      ?      ? 
1 1 1  -14   16    4 o  128.516   7.0889  166.377   18.221      ?      ? 
1 1 1  -14   16    5 o   58.139   14.739   36.219   17.170      ?      ? 
1 1 1  -14   16    6 o  187.480   5.5502  353.195   20.811      ?      ? 
1 1 1  -14   16    7 o  210.588   3.6726  446.184   15.414 -2.995972 7.345253 
1 1 1  -14   16    8 o   28.732   9.2079 -16.6304   12.706 -11.13736 18.41580 
1 1 1  -14   16    9 o  218.815   4.0197  483.934   17.388 -38.93723 8.039488 
1 1 1  -14   16   10 o  220.010   3.9571  484.980   17.232 -42.17317 7.914172 
1 1 1  -14   16   11 o  255.827   3.7397  635.286   18.765 41.15392 7.479395 
1 1 1  -14   16   12 o   47.924   10.890   24.535   12.156 -9.644032 21.77993 
1 1 1  -14   16   13 o   37.872   10.101   9.2211   11.492 -12.93992 20.20279 
1 1 1  -14   16   14 o   57.901   10.221   35.970   11.583 2.008965 20.44278 
1 1 1  -14   16   15 o  143.088   4.7387  210.486   12.999 -9.523270 9.477401 
1 1 1  -14   16   16 o  203.674   4.0932  423.192   16.450 -35.42061 8.186480 
1 1 1  -14   16   17 f  178.273   5.9876  292.664   16.476 166.9262 11.97530 
1 1 1  -14   16   19 o  143.460   4.9545  209.365   14.136 -18.55342 9.908953 
1 1 1  -14   16   20 o   38.006   11.001   6.9848   13.251 -0.4618149 22.00130 
1 1 1  -14   16   21 o  139.831   5.2879  204.330   14.312 -26.97757 10.57582 
1 1 1  -14   16   22 o   81.408   7.8318   72.320   10.487 -9.479813 15.66367 
1 1 1  -14   16   23 o  136.986   4.7842  192.699   11.371 -4.472534 9.568334 
1 1 1  -14   16   24 o  127.145   5.3798  169.368   11.711 -8.513992 10.75961 
1 1 1  -14   16   25 o   52.140   10.330   33.054   11.424 -17.74588 20.65904 
1 1 1  -14   16   26 o   93.998   6.9763   90.444   11.969 0.3950806 13.95265 
1 1 1  -14   16   27 o  170.344   3.9970  297.301   12.981 -9.932388 7.993978 
1 1 1  -14   17    1 o  117.735   5.5508  139.760   13.044 -10.45378 11.10155 
1 1 1  -14   17    2 o  112.913   5.7664  128.868   13.019 3.689987 11.53285 
1 1 1  -14   17    3 o  173.725   4.1410  303.456   14.352 16.76068 8.281953 
1 1 1  -14   17    4 f  213.775   5.2320  459.500   22.369      ?      ? 
1 1 1  -14   17    5 f  229.290   5.2537  528.798   24.092      ?      ? 
1 1 1  -14   17    6 o  158.253   6.4781  252.043   20.504      ?      ? 
1 1 1  -14   17    7 o  207.673   3.8546  433.816   15.941 -9.676086 7.709207 
1 1 1  -14   17    8 o  184.917   4.1532  342.785   15.227 -0.6892242 8.306494 
1 1 1  -14   17    9 o  210.841   3.8817  447.603   16.267 -26.72955 7.763437 
1 1 1  -14   17   10 o   39.225   10.386   9.7843   12.384 -15.82726 20.77255 
1 1 1  -14   17   11 o   54.094   10.053   33.422   11.485 -18.67208 20.10548 
1 1 1  -14   17   12 o   54.086   10.353   32.233   11.483 -8.340855 20.70506 
1 1 1  -14   17   13 o  171.846   3.9572  297.122   13.463 0.2231140 7.914427 
1 1 1  -14   17   14 o  125.138   5.4598  170.233   12.741 -32.64082 10.91970 
1 1 1  -14   17   15 o  174.811   4.4792  318.845   15.085 -36.78871 8.958426 
1 1 1  -14   17   16 o  138.785   5.9411  182.019   14.102 103.7446 11.88213 
1 1 1  -14   17   17 o   50.136   7.6354   9.9994   12.863 -58.56642 15.27071 
1 1 1  -14   17   18 o   70.208   8.9904   53.791   12.075 -14.31714 17.98081 
1 1 1  -14   17   19 o  175.370   4.1400  310.244   14.333 -0.5960388 8.280020 
1 1 1  -14   17   20 o  138.243   5.1276  191.462   13.969 7.527191 10.25513 
1 1 1  -14   17   21 o  120.803   5.8667  149.283   14.024 -1.812828 11.73333 
1 1 1  -14   17   22 o   95.079   6.7824  100.479   10.686 -16.39440 13.56472 
1 1 1  -14   17   23 o  104.601   6.2988  118.206   11.005 -12.37302 12.59758 
1 1 1  -14   17   24 o  123.137   5.4735  160.406   11.679 -10.75627 10.94695 
1 1 1  -14   17   25 o  182.546   3.9915  337.360   13.222 -1.659378 7.982902 
1 1 1  -14   17   26 o  122.862   5.2431  151.452   11.986 2.925018 10.48617 
1 1 1  -14   17   27 o   94.203   6.1445   93.540   11.391 -3.793182 12.28900 
1 1 1  -14   18    1 o  204.944   3.8819  423.588   15.823 22.74646 7.763874 
1 1 1  -14   18    2 o  277.483   3.7056  768.029   20.470 -14.74225 7.411245 
1 1 1  -14   18    3 o  370.530   4.1383  1340.25   30.083 -48.63406 8.276654 
1 1 1  -14   18    4 o  254.693   5.1910  649.828   26.442      ?      ? 
1 1 1  -14   18    5 o  258.000   5.4003  666.775   27.865      ?      ? 
1 1 1  -14   18    6 o  225.602   5.5483  510.077   25.034      ?      ? 
1 1 1  -14   18    7 o   82.354   7.9220   67.534   12.883 10.68342 15.84394 
1 1 1  -14   18    8 o  174.825   4.0120  305.141   13.933 15.31105 8.024017 
1 1 1  -14   18    9 o  182.251   3.7968  332.504   13.756 7.795990 7.593569 
1 1 1  -14   18   10 o  218.269   3.5300  477.517   15.328 5.179901 7.059940 
1 1 1  -14   18   11 o  204.851   3.5744  422.017   14.519 -0.6460571 7.148880 
1 1 1  -14   18   12 o  103.369   5.8656  109.228   11.950 -4.117569 11.73115 
1 1 1  -14   18   13 o   56.056   8.4624   35.391   12.486 -53.06504 16.92479 
1 1 1  -14   18   14 o  328.648   3.8938  1060.77   25.250 40.67749 7.787641 
1 1 1  -14   18   15 o  168.909   4.4621  268.770   14.346 73.69754 8.924189 
1 1 1  -14   18   16 o  203.095   3.8867  417.905   15.646 -32.83279 7.773300 
1 1 1  -14   18   17 o  115.734   5.6026  139.085   12.637 -12.32565 11.20516 
1 1 1  -14   18   18 o   62.002   10.174   41.312   12.159 2.914082 20.34869 
1 1 1  -14   18   19 o  209.930   3.8243  443.521   15.894 0.6152802 7.648623 
1 1 1  -14   18   20 o   44.330   11.344   18.721   13.025 -3.935169 22.68772 
1 1 1  -14   18   21 o   40.576   11.249   11.682   13.271 5.828289 22.49892 
1 1 1  -14   18   22 o   69.303   10.076   53.586   13.463 -14.00569 20.15156 
1 1 1  -14   18   23 o  110.917   5.7119  125.627   11.090 -0.7947235 11.42382 
1 1 1  -14   18   24 o   94.435   6.4416   89.634   11.126 3.967422 12.88314 
1 1 1  -14   18   25 o   91.877   6.4823   80.501   11.221 17.28482 12.96465 
1 1 1  -14   18   26 o   43.846   9.9336   20.293   11.089 -18.37542 19.86712 
1 1 1  -14   19    1 o  227.092   3.7924  519.027   17.098 33.35077 7.584836 
1 1 1  -14   19    2 o  181.340   4.0992  335.341   14.628 27.71030 8.198475 
1 1 1  -14   19    3 o  220.876   3.7448  488.954   16.426 -3.620773 7.489595 
1 1 1  -14   19    4 o  135.978   5.0875  185.506   13.715 -25.38250 10.17501 
1 1 1  -14   19    5 o  258.715   5.1731  674.336   26.767      ?      ? 
1 1 1  -14   19    6 o  228.202   5.3571  524.086   24.450      ?      ? 
1 1 1  -14   19    7 o  221.875   3.5319  490.727   15.541 12.73317 7.063879 
1 1 1  -14   19    8 o  123.201   4.8091  151.711   11.746 8.706703 9.618099 
1 1 1  -14   19    9 o  101.822   5.8037  105.384   11.658 -1.830009 11.60740 
1 1 1  -14   19   10 o   90.776   6.7000   86.517   11.803 -18.03841 13.39995 
1 1 1  -14   19   11 o  206.317   3.6445  431.444   15.002 -3.257889 7.288938 
1 1 1  -14   19   12 o  177.548   4.1205  317.539   14.591 -10.37770 8.241073 
1 1 1  -14   19   13 f  249.193   3.7179  619.084   18.475 20.33493 7.435887 
1 1 1  -14   19   14 o   70.032   9.2069   60.702   12.761 -55.26912 18.41378 
1 1 1  -14   19   15 o  134.790   4.6685  186.587   12.396 -17.74680 9.337077 
1 1 1  -14   19   16 f   96.007   6.8150  101.419   12.136 -29.61292 13.63010 
1 1 1  -14   19   17 o  124.990   5.1676  151.812   12.592 21.31216 10.33524 
1 1 1  -14   19   18 o  106.355   6.0177  115.093   12.488 0.7678452 12.03534 
1 1 1  -14   19   19 o   67.685   9.6240   50.689   12.418 -12.05290 19.24809 
1 1 1  -14   19   20 o   44.940   11.281   19.528   13.108 -9.107666 22.56189 
1 1 1  -14   19   21 o  135.930   5.2490  191.735   13.914 -16.45927 10.49809 
1 1 1  -14   19   22 o  125.892   5.6028  161.588   13.861 1.299431 11.20563 
1 1 1  -14   19   23 o   93.696   6.3017   87.543   10.688 5.095703 12.60347 
1 1 1  -14   19   24 o  101.042   5.7193  101.157   10.657 6.033524 11.43864 
1 1 1  -14   19   25 o   86.380   7.5002   89.060   10.753 -37.77126 15.00048 
1 1 1  -14   20    1 o  121.747   5.2230  145.357   12.527 -24.88082 10.44609 
1 1 1  -14   20    2 o   96.605   6.4515   92.879   12.337 -16.51917 12.90305 
1 1 1  -14   20    3 f  149.025   4.5536  222.914   13.449 -4.388199 9.107291 
1 1 1  -14   20    4 o  305.425   3.7636  933.587   22.865 -13.37750 7.527220 
1 1 1  -14   20    5 o  147.917   6.1227  220.525   18.113      ?      ? 
1 1 1  -14   20    6 o  177.658   5.3462  317.496   18.996      ?      ? 
1 1 1  -14   20    7 o  161.375   3.8736  261.149   12.452 5.960266 7.747133 
1 1 1  -14   20    8 o  129.055   4.8853  171.674   12.399 -15.73472 9.770692 
1 1 1  -14   20    9 o  252.453   3.6543  639.942   18.348 16.26791 7.308539 
1 1 1  -14   20   10 o  150.252   4.6280  229.971   13.702 -26.24719 9.255904 
1 1 1  -14   20   11 o  225.964   3.6364  508.815   16.376 -25.61938 7.272820 
1 1 1  -14   20   12 o  122.402   5.2701  151.744   12.862 -12.10792 10.54012 
1 1 1  -14   20   13 o  157.233   4.3479  253.009   13.484 -25.69244 8.695720 
1 1 1  -14   20   14 o   63.040   9.5286   46.814   11.616 -24.92515 19.05717 
1 1 1  -14   20   15 o  172.650   4.0263  302.415   13.573 -5.245941 8.052688 
1 1 1  -14   20   16 o  132.285   4.8823  171.423   12.604 16.91518 9.764611 
1 1 1  -14   20   17 o   63.449   9.5240   49.459   11.947 -33.45445 19.04803 
1 1 1  -14   20   18 o  175.230   4.0036  312.327   13.729 -7.977020 8.007154 
1 1 1  -14   20   19 o   89.556   7.3488   87.436   12.334 -20.23281 14.69756 
1 1 1  -14   20   20 o  228.825   3.7269  527.947   16.924 0.5938873 7.453814 
1 1 1  -14   20   21 o   88.417   7.5953   83.228   12.996 -11.33547 15.19058 
1 1 1  -14   20   22 o  114.280   5.7963  133.142   13.092 1.095901 11.59267 
1 1 1  -14   20   23 o   84.844   6.5244   68.992   10.344 13.97575 13.04874 
1 1 1  -14   20   24 o   34.740   9.7966   7.4655   10.323 -3.171638 19.59326 
1 1 1  -14   21    1 o   80.330   8.2509   71.858   11.979 26.16337 16.50179 
1 1 1  -14   21    2 o  196.177   3.8021  386.081   14.827 -4.997299 7.604104 
1 1 1  -14   21    3 o  113.686   5.7803  132.065   13.033 6.693817 11.56064 
1 1 1  -14   21    4 o  125.357   5.5001  160.641   13.731 10.63837 11.00010 
1 1 1  -14   21    5 o  179.595   4.2108  328.432   15.079 7.965912 8.421672 
1 1 1  -14   21    6 f  172.179   4.0684  297.947   13.953 14.31271 8.136835 
1 1 1  -14   21    7 f  235.173   3.7513  552.792   17.592 -24.80894 7.502525 
1 1 1  -14   21    8 o  445.395   4.7056  1982.10   41.774 -25.27216 9.411205 
1 1 1  -14   21    9 o  221.227   3.8495  489.968   16.916 -35.61154 7.699079 
1 1 1  -14   21   10 o  156.585   4.4415  247.555   13.825 -0.1990662 8.882992 
1 1 1  -14   21   11 o  142.823   4.4968  205.675   12.729 3.035110 8.993505 
1 1 1  -14   21   12 o   71.125   8.9975   59.111   11.681 -29.69571 17.99507 
1 1 1  -14   21   13 o   46.898   9.5446   23.486   11.487 -28.04959 19.08922 
1 1 1  -14   21   14 o  286.249   3.6169  816.455   20.465 15.89139 7.233871 
1 1 1  -14   21   15 f   87.694   6.9984   76.881   11.792 6.787842 13.99682 
1 1 1  -14   21   16 o  124.584   5.2329  162.885   12.272 -13.27566 10.46575 
1 1 1  -14   21   17 o   83.614   7.2670   71.108   11.709 3.265320 14.53391 
1 1 1  -14   21   18 o   53.561   10.512   28.220   11.748 23.12075 21.02335 
1 1 1  -14   21   19 o   46.737   10.868   23.494   11.883 -7.067440 21.73529 
1 1 1  -14   21   20 o  134.281   5.1719  186.423   13.596 -12.95776 10.34377 
1 1 1  -14   21   21 o   77.014   8.2957   61.464   12.642 3.768326 16.59143 
1 1 1  -14   21   22 o  117.949   5.6127  142.813   13.090 -11.39928 11.22536 
1 1 1  -14   21   23 f   42.621   10.956   16.282   12.578 -10.34390 21.91205 
1 1 1  -14   22    1 o  171.610   4.3855  301.818   14.749 22.35938 8.771092 
1 1 1  -14   22    2 o  161.367   5.9875  261.593   19.324      ?      ? 
1 1 1  -14   22    3 o  193.141   4.2478  372.801   16.358 -10.30008 8.495559 
1 1 1  -14   22    4 o  161.918   4.7414  262.424   15.307 -6.117859 9.482770 
1 1 1  -14   22    5 o  264.521   3.9617  660.994   20.330 -69.43190 7.923467 
1 1 1  -14   22    6 o  228.399   3.4785  523.445   14.881 -0.3616638 6.956937 
1 1 1  -14   22    7 o  115.981   6.1284  138.143   14.067 -10.57735 12.25679 
1 1 1  -14   22    8 o   90.275   7.5627   87.930   13.009 -23.41224 15.12547 
1 1 1  -14   22    9 o   38.872   10.213   10.971   11.727 -13.99738 20.42522 
1 1 1  -14   22   10 o  141.134   4.4299  202.550   12.197 -3.577911 8.859788 
1 1 1  -14   22   12 o  144.600   4.4846  212.676   12.459 -4.959717 8.969243 
1 1 1  -14   22   13 o   48.235   10.537   19.311   11.225 25.41307 21.07393 
1 1 1  -14   22   14 o   39.862   10.437   14.596   11.165 -5.721531 20.87376 
1 1 1  -14   22   15 o  133.494   4.7380  177.146   12.120 7.758224 9.475969 
1 1 1  -14   22   16 o   31.855   9.7369  -0.7826   11.584 -3.539730 19.47371 
1 1 1  -14   22   17 o   40.254   10.522   6.3823   11.933 24.94384 21.04496 
1 1 1  -14   22   18 o   68.117   9.6355   55.626   11.973 -23.73915 19.27110 
1 1 1  -14   22   19 o  160.398   4.3704  258.120   13.757 6.702957 8.740896 
1 1 1  -14   22   20 o   65.112   9.8314   47.088   12.271 -5.904392 19.66273 
1 1 1  -14   22   21 o   79.057   8.0124   63.797   12.591 11.38380 16.02471 
1 1 1  -14   22   22 o   71.188   8.9882   54.622   12.441 -9.447578 17.97645 
1 1 1  -14   23    1 o  129.227   5.7110  175.338   14.184 20.57278 11.42195 
1 1 1  -14   23    2 o  165.742   6.1710  277.539   20.456      ?      ? 
1 1 1  -14   23    3 o  120.617   5.7994  149.085   13.825 4.982521 11.59877 
1 1 1  -14   23    4 o  208.386   5.4047  437.898   22.525      ?      ? 
1 1 1  -14   23    5 o  172.121   6.1174  299.348   21.059      ?      ? 
1 1 1  -14   23    6 o  246.720   3.5508  607.429   17.342 15.10674 7.101697 
1 1 1  -14   23    7 o  252.847   3.5639  646.909   17.948 -17.32745 7.127844 
1 1 1  -14   23    8 o  274.066   3.5892  752.274   19.483 11.17706 7.178421 
1 1 1  -14   23    9 o   88.602   7.6521   89.058   11.789 -26.54717 15.30411 
1 1 1  -14   23   10 o   94.189   6.2991   82.327   11.342 32.27495 12.59821 
1 1 1  -14   23   11 o   48.718   13.549   25.535   13.674      ?      ? 
1 1 1  -14   23   12 o  134.129   4.8524  185.734   12.266 -7.063538 9.704901 
1 1 1  -14   23   13 o  187.609   3.8567  353.191   13.961 2.960175 7.713466 
1 1 1  -14   23   14 o  166.667   4.0754  275.965   13.066 9.348770 8.150832 
1 1 1  -14   23   15 o   31.257   9.7490  -2.7896   11.734 0.1299706 19.49809 
1 1 1  -14   23   16 o   36.005   10.506   0.7723   12.133 17.35084 21.01283 
1 1 1  -14   23   17 o   44.504   11.261   18.518   12.110 7.728172 22.52162 
1 1 1  -14   23   18 o   53.865   10.937   29.985   12.091 13.77549 21.87432 
1 1 1  -14   23   19 o  118.421   5.4192  143.667   12.567 -4.823364 10.83849 
1 1 1  -14   23   20 o   85.393   7.6754   77.893   12.505 -14.22797 15.35086 
1 1 1  -14   23   21 o  268.456   3.8195  725.707   20.265 11.51135 7.638960 
1 1 1  -14   24    1 o  148.379   4.5262  219.893   13.297 -13.73024 9.052461 
1 1 1  -14   24    2 o  120.080   5.4505  152.746   12.518 23.74422 10.90091 
1 1 1  -14   24    3 o   84.397   9.6394   73.211   16.271      ?      ? 
1 1 1  -14   24    4 f   33.193   14.182   1.1493   16.699      ?      ? 
1 1 1  -14   24    5 o   88.395   9.8810   80.057   17.469      ?      ? 
1 1 1  -14   24    6 o  141.684   4.3413  198.580   12.039 12.17328 8.682678 
1 1 1  -14   24    7 o  205.709   3.6002  415.779   14.503 21.49428 7.200407 
1 1 1  -14   24    8 o   49.866   8.5606   26.728   11.580 -40.83614 17.12114 
1 1 1  -14   24    9 o  123.789   5.3462  164.276   12.416 -24.30116 10.69232 
1 1 1  -14   24   10 o   61.770   9.7516   43.104   11.437 -11.34722 19.50320 
1 1 1  -14   24   11 o  174.715   4.0446  307.311   13.731 1.216187 8.089188 
1 1 1  -14   24   12 o  188.456   3.8591  355.981   14.215 5.585205 7.718290 
1 1 1  -14   24   13 o   36.177   10.199   7.5648   11.580 -6.790455 20.39727 
1 1 1  -14   24   14 o   54.471   9.9935   35.094   11.753 -22.08628 19.98710 
1 1 1  -14   24   15 o  103.968   6.2352  107.287   12.353 10.70985 12.47047 
1 1 1  -14   24   16 o   63.049   10.136   41.056   12.026 14.08369 20.27229 
1 1 1  -14   24   17 o  122.183   5.3914  155.238   12.503 -9.398895 10.78276 
1 1 1  -14   24   18 o   99.348   6.2016   98.486   12.141 12.04353 12.40328 
1 1 1  -14   24   19 o   70.138   8.1686   51.181   11.168 9.803566 16.33711 
1 1 1  -14   24   20 o   70.217   8.3490   54.683   12.177 76.79046 16.69795 
1 1 1  -14   25    1 o  130.829   4.8327  173.989   12.250 4.209305 9.665478 
1 1 1  -14   25    2 o  144.082   4.5419  208.842   12.821 -1.582794 9.083864 
1 1 1  -14   25    3 o   74.309   10.711   56.661   15.919      ?      ? 
1 1 1  -14   25    4 o   85.133   9.9528   74.415   16.946      ?      ? 
1 1 1  -14   25    5 o  150.246   6.4323  228.902   19.328      ?      ? 
1 1 1  -14   25    6 o  121.403   5.2107  155.103   12.110 -17.14893 10.42131 
1 1 1  -14   25    7 o  329.249   3.8584  1085.82   25.206 18.13132 7.716794 
1 1 1  -14   25    8 o  331.665   3.9174  1103.68   25.822 13.80139 7.834743 
1 1 1  -14   25    9 o  425.807   4.5578  1826.46   38.632 20.29922 9.115666 
1 1 1  -14   25   10 o  115.678   5.7288  140.403   12.582 -12.55383 11.45752 
1 1 1  -14   25   11 o  246.429   3.6173  609.699   17.622 5.927017 7.234534 
1 1 1  -14   25   12 o   91.111   7.0627   89.560   11.914 -13.85217 14.12545 
1 1 1  -14   25   13 o  170.473   4.1240  288.752   13.454 9.942963 8.247989 
1 1 1  -14   25   14 o  157.855   4.6207  262.164   13.604 -19.42067 9.241442 
1 1 1  -14   25   15 o   95.418   6.9624   95.403   12.432 -5.704216 13.92477 
1 1 1  -14   25   16 o   78.853   7.8552   64.388   11.963 -1.157928 15.71041 
1 1 1  -14   25   17 o   75.401   8.0680   58.443   12.041 2.761505 16.13602 
1 1 1  -14   25   18 o   65.588   8.9594   47.208   11.414 32.84404 17.91886 
1 1 1  -14   26    1 o  159.239   5.5226  255.704   17.588      ?      ? 
1 1 1  -14   26    2 o   69.476   11.430   49.986   15.883      ?      ? 
1 1 1  -14   26    3 o  145.396   6.1661  213.596   17.930      ?      ? 
1 1 1  -14   26    4 o  206.273   5.2249  428.780   21.555      ?      ? 
1 1 1  -14   26    5 o   97.406   6.1208   97.645   11.673 -3.725815 12.24152 
1 1 1  -14   26    6 o   86.898   6.9381   77.543   11.751 0.6999817 13.87629 
1 1 1  -14   26    7 o  152.888   4.3884  234.329   13.085 5.870956 8.776730 
1 1 1  -14   26    8 o  199.432   3.7848  394.386   14.768 15.32828 7.569670 
1 1 1  -14   26    9 o  259.775   3.6004  678.773   18.534 4.303009 7.200720 
1 1 1  -14   26   10 o  203.920   3.7389  421.223   14.947 -3.781967 7.477780 
1 1 1  -14   26   11 f   91.223   7.2610   91.998   12.049 -19.45851 14.52197 
1 1 1  -14   26   12 f   65.435   9.6345   49.382   11.768 -17.35989 19.26897 
1 1 1  -14   26   13 o   95.388   6.5229   92.849   11.948 1.762070 13.04573 
1 1 1  -14   26   14 o  119.815   5.3334  142.681   12.454 10.68520 10.66687 
1 1 1  -14   26   15 o  114.615   5.4144  131.602   12.274 9.529755 10.82888 
1 1 1  -14   26   16 o   39.737   10.237   14.041   10.831 -8.203506 20.47323 
1 1 1  -14   27    1 o  148.610   6.1560  223.386   18.297      ?      ? 
1 1 1  -14   27    2 o  161.190   6.1124  262.770   19.705      ?      ? 
1 1 1  -14   27    3 o  264.681   5.2109  706.396   27.584      ?      ? 
1 1 1  -14   27    4 o  205.083   5.5122  424.602   22.609      ?      ? 
1 1 1  -14   27    5 o  217.277   4.7651  475.596   20.707      ?      ? 
1 1 1  -14   27    6 o  175.247   3.9890  312.027   13.739 -5.342026 7.977994 
1 1 1  -14   27    7 o  142.732   4.6278  210.220   12.769 -10.72260 9.255697 
1 1 1  -14   27    8 o  220.578   3.6380  491.086   15.843 -0.8475647 7.275992 
1 1 1  -14   27    9 o  184.460   3.8530  344.216   13.900 -2.558029 7.705974 
1 1 1  -14   27   10 o   71.652   9.1219   59.054   11.883 -21.05074 18.24384 
1 1 1  -14   27   11 o  129.249   4.8907  167.594   12.400 7.039848 9.781328 
1 1 1  -14   27   12 o   84.378   7.0639   71.987   11.653 5.212685 14.12788 
1 1 1  -14   27   13 o  131.508   4.6493  173.042   12.114 9.741234 9.298503 
1 1 1  -14   27   14 o   26.580   8.7808 -13.5409   11.477 -0.9014015 17.56167 
1 1 1  -14   28    1 o  113.719   8.1457  132.243   18.526      ?      ? 
1 1 1  -14   28    2 f  152.278   6.4199  235.072   19.552      ?      ? 
1 1 1  -14   28    4 o  153.203   6.4517  237.755   19.768      ?      ? 
1 1 1  -14   28    5 o   73.751   12.044   56.831   17.766      ?      ? 
1 1 1  -14   28    6 o  122.472   7.3855  152.616   18.090      ?      ? 
1 1 1  -14   28    7 o  104.180   8.7888  111.269   18.312      ?      ? 
1 1 1  -14   28    8 o  224.355   3.5862  506.799   16.046 1.892654 7.172430 
1 1 1  -14   28    9 o  184.455   3.7939  343.905   13.925 -7.201202 7.587886 
1 1 1  -14   28   10 o  157.716   4.2512  251.510   13.377 -12.43864 8.502496 
1 1 1  -14   28   11 o  103.152   5.9411  105.075   11.967 -31.42081 11.88213 
1 1 1  -14   28   12 o   72.308   8.1462   56.894   10.927 3.715370 16.29240 
1 1 1  -14   29    2 o  116.273   7.1458  137.137   16.617      ?      ? 
1 1 1  -14   29    3 o  134.087   6.3178  181.726   16.943      ?      ? 
1 1 1  -14   29    4 o  119.995   7.0186  145.820   16.844      ?      ? 
1 1 1  -14   29    5 o  127.293   6.7611  163.918   17.213      ?      ? 
1 1 1  -14   29    6 o  172.681   5.3624  300.421   18.520      ?      ? 
1 1 1  -14   29    7 o  129.300   6.6507  169.255   17.199      ?      ? 
1 1 1  -14   29    8 o  100.256   8.2397  102.814   16.521      ?      ? 
1 1 1  -14   29    9 o  111.546   5.6495  131.835   12.231 10.51037 11.29896 
1 1 1  -14   30    1 o  153.993   4.9971  239.286   15.391      ?      ? 
1 1 1  -14   30    2 o  140.513   5.4715  199.798   15.376      ?      ? 
1 1 1  -14   30    3 o  132.484   5.6711  178.309   15.027      ?      ? 
1 1 1  -14   30    4 o  231.873   4.7785  547.593   22.160      ?      ? 
1 1 1  -14   30    5 o  125.505   8.6868  314.085   21.805      ?      ? 
1 1 1  -13    0    5 o  252.820   5.9743  640.664   30.171 -0.000000 0.000000 
1 1 1  -13    0    6 o  331.223   6.0470  1098.96   40.028 -0.000000 0.000000 
1 1 1  -13    0    7 o  491.333   7.3044  2418.33   71.742 -0.000000 0.000000 
1 1 1  -13    0    8 o  247.157   6.2328  612.545   30.766 -0.000000 0.000000 
1 1 1  -13    0    9 o  126.545   9.4140  163.101   23.563 -0.000000 0.000000 
1 1 1  -13    0   10 o   53.810   21.446   40.387   22.227 -0.000000 0.000000 
1 1 1  -13    0   11 o  117.783   9.8099  141.952   22.799 -0.000000 0.000000 
1 1 1  -13    0   12 o   50.770   21.557   36.948   22.072 -0.000000 0.000000 
1 1 1  -13    0   13 o   98.287   11.632  100.993   22.327 -0.000000 0.000000 
1 1 1  -13    0   14 o  442.878   6.7653  1965.55   59.893 -0.000000 0.000000 
1 1 1  -13    0   15 o   49.723   21.741   35.941   22.337 -0.000000 0.000000 
1 1 1  -13    0   16 o  264.256   5.6869  700.408   30.025 -0.000000 0.000000 
1 1 1  -13    0   17 o  175.233   6.7041  309.064   23.421 -0.000000 0.000000 
1 1 1  -13    0   18 o  279.394   5.6490  782.949   31.537 -0.000000 0.000000 
1 1 1  -13    0   19 o  102.193   10.489  108.426   21.032 -0.000000 0.000000 
1 1 1  -13    0   20 o   16.011   11.762 -44.1838   21.137 -0.000000 0.000000 
1 1 1  -13    0   21 o  175.665   7.1655  311.550   25.084 -0.000000 0.000000 
1 1 1  -13    0   22 o  260.213   4.1845  668.866   21.436 -0.000000 0.000000 
1 1 1  -13    0   24 o   19.008   9.3794 -16.6526   12.849 -0.000000 0.000000 
1 1 1  -13    0   25 f  122.110   6.0654  153.524   14.093 -0.000000 0.000000 
1 1 1  -13    0   27 o   37.619   12.305   13.059   14.599 -0.000000 0.000000 
1 1 1  -13    0   28 o   23.424   11.023  -8.3703   14.586 -0.000000 0.000000 
1 1 1  -13    0   29 o   79.877   10.604   69.323   15.053 -0.000000 0.000000 
1 1 1  -13    0   30 o  115.143   6.8364  136.979   15.482 -0.000000 0.000000 
1 1 1  -13    0   31 o   21.574   10.547 -13.7772   14.876 -0.000000 0.000000 
1 1 1  -13    0   32 o   89.590   9.0450   87.097   15.150 -0.000000 0.000000 
1 1 1  -13    0   33 o   53.460   12.905   39.345   15.860 -0.000000 0.000000 
1 1 1  -13    0   34 o   27.880   12.577   1.9159   14.951 -0.000000 0.000000 
1 1 1  -13    1    5 o  527.700   7.7161  2790.74   81.436      ?      ? 
1 1 1  -13    1    6 o  364.854   4.3853  1333.18   32.000 -1.523743 8.770556 
1 1 1  -13    1    7 f  400.688   4.5634  1608.26   36.570 -1.878326 9.126849 
1 1 1  -13    1    8 o  384.826   4.4591  1482.16   34.299 9.545471 8.918183 
1 1 1  -13    1    9 o  275.308   4.1033  759.093   22.593 -2.244110 8.206633 
1 1 1  -13    1   10 o  308.219   4.0643  951.667   25.051 -3.867249 8.128525 
1 1 1  -13    1   11 o  375.386   4.3194  1411.99   32.427 0.8394165 8.638780 
1 1 1  -13    1   12 o  102.407   7.7490  105.743   15.851 4.880569 15.49810 
1 1 1  -13    1   13 o  242.881   4.1402  590.751   20.097 12.96567 8.280459 
1 1 1  -13    1   14 o  154.880   5.4940  241.622   16.954 13.14665 10.98800 
1 1 1  -13    1   15 o  184.516   4.7620  341.624   17.563 -0.2232666 9.523956 
1 1 1  -13    1   16 o  100.605   7.8437  102.573   15.747 -8.189606 15.68731 
1 1 1  -13    1   17 o  269.472   4.0390  728.167   21.755 12.74442 8.077938 
1 1 1  -13    1   18 o  222.648   4.1739  497.166   18.567 -4.511871 8.347814 
1 1 1  -13    1   19 o  236.236   4.0030  560.738   18.901 4.742599 8.005998 
1 1 1  -13    1   20 o  231.929   4.0547  540.614   18.804 4.644180 8.109443 
1 1 1  -13    1   21 o  126.023   6.3989  161.899   16.053 7.760605 12.79778 
1 1 1  -13    1   22 f  297.277   3.6315  903.084   20.419 -19.47382 7.262928 
1 1 1  -13    1   23 o   78.500   9.9171   62.951   15.570      ?      ? 
1 1 1  -13    1   24 o   42.235   9.7443   17.944   9.4921 -4.050289 19.48864 
1 1 1  -13    1   25 f  113.883   4.4778  131.029   10.175 2.727234 8.955551 
1 1 1  -13    1   26 o  162.169   5.1661  263.630   16.756      ?      ? 
1 1 1  -13    1   27 o   38.080   10.430   3.7328   12.025 -21.38982 20.85968 
1 1 1  -13    1   28 o   46.719   9.9688   23.436   10.513 -12.86044 19.93766 
1 1 1  -13    1   29 o   22.308   7.6493 -23.9765   10.519 2.670160 15.29856 
1 1 1  -13    1   30 o   44.674   10.069   20.786   10.583 -11.87977 20.13897 
1 1 1  -13    1   31 o  132.464   4.1941  176.880   11.089 5.632599 8.388184 
1 1 1  -13    1   32 o   86.445   6.3611   77.037   10.940 -6.766373 12.72215 
1 1 1  -13    1   33 o   93.382   6.1822   88.864   11.435 17.51372 12.36434 
1 1 1  -13    1   34 o  108.255   7.3811  120.876   15.850 10.99342 14.76219 
1 1 1  -13    2    5 o  297.318   5.9755  885.157   35.532      ?      ? 
1 1 1  -13    2    6 o  437.769   4.7685  1917.89   41.719 11.07739 9.537056 
1 1 1  -13    2    7 o  210.217   4.6554  442.724   19.565 0.1583557 9.310781 
1 1 1  -13    2    8 o  202.256   4.6877  409.694   18.952 -2.386078 9.375489 
1 1 1  -13    2    9 o  629.225   6.3224  3972.78   79.539 -7.676025 12.64474 
1 1 1  -13    2   10 o  327.902   4.1564  1077.10   27.253 7.851624 8.312806 
1 1 1  -13    2   11 o   44.692   12.119   11.715   15.709 -12.07818 24.23888 
1 1 1  -13    2   12 o  295.162   4.0536  872.961   23.924 0.8017883 8.107171 
1 1 1  -13    2   13 o  135.413   6.1740  184.344   16.678 -12.46736 12.34808 
1 1 1  -13    2   14 o  319.874   4.1362  1025.41   26.460 2.735199 8.272365 
1 1 1  -13    2   15 o  210.049   4.4004  441.950   18.471 -11.69608 8.800831 
1 1 1  -13    2   16 o  172.280   4.8963  298.424   16.859 -3.781647 9.792693 
1 1 1  -13    2   17 o  341.362   4.1455  1168.28   28.290 8.295410 8.290921 
1 1 1  -13    2   18 o   75.404   10.281   60.102   14.924 1.662483 20.56180 
1 1 1  -13    2   19 o  271.120   3.8964  737.625   21.119 5.435577 7.792759 
1 1 1  -13    2   20 o   80.963   9.2010   68.157   14.273 22.40678 18.40206 
1 1 1  -13    2   21 f  189.194   3.8709  362.487   13.524 -3.815781 7.741792 
1 1 1  -13    2   22 o  424.117   6.5951  1803.79   55.942      ?      ? 
1 1 1  -13    2   23 o   24.910   8.3881 -26.2033   12.470 -6.152065 16.77611 
1 1 1  -13    2   24 o   88.271   5.6331   78.913   9.9437 -1.426041 11.26623 
1 1 1  -13    2   25 o  242.898   2.8339  592.591   13.753 6.136078 5.667834 
1 1 1  -13    2   26 o  161.309   4.4564  254.639   13.399 10.63919 8.912841 
1 1 1  -13    2   27 o  120.878   4.4404  147.589   10.726 3.005646 8.880876 
1 1 1  -13    2   28 o   23.422   7.8956 -18.5064   10.356 -1.208462 15.79117 
1 1 1  -13    2   29 o   67.155   8.3759   48.578   10.776 -18.29968 16.75182 
1 1 1  -13    2   30 o  108.077   5.1151  117.826   11.022 10.15603 10.23014 
1 1 1  -13    2   31 f   48.123   10.191   25.267   10.748 -8.251446 20.38164 
1 1 1  -13    2   32 o   55.504   10.001   33.722   11.116 5.018745 20.00220 
1 1 1  -13    2   33 o   81.678   6.9922   68.535   11.376 -1.531036 13.98444 
1 1 1  -13    2   34 o   85.747   9.2496   79.291   15.742 1.620491 18.49923 
1 1 1  -13    3    4 o  371.257   6.1651  1380.23   45.776      ?      ? 
1 1 1  -13    3    5 o  347.889   6.1087  1212.01   42.503      ?      ? 
1 1 1  -13    3    6 o  250.395   4.3074  627.672   21.566 -4.288818 8.614878 
1 1 1  -13    3    7 o  227.425   4.4705  517.608   20.321 -5.846390 8.940919 
1 1 1  -13    3    8 o  262.567   4.1488  690.733   21.770 2.692688 8.297620 
1 1 1  -13    3    9 o  482.505   5.0938  2332.81   49.127 -6.311829 10.18754 
1 1 1  -13    3   10 o  226.467   4.3063  513.259   19.486 -5.785141 8.612512 
1 1 1  -13    3   11 o  416.523   4.5875  1739.09   38.215 1.332275 9.174935 
1 1 1  -13    3   12 o   58.086   12.270   34.791   15.372 4.031235 24.53941 
1 1 1  -13    3   13 o  289.486   4.0399  839.636   23.389 -3.799133 8.079829 
1 1 1  -13    3   14 o  205.822   4.5017  416.179   18.194 55.50235 9.003488 
1 1 1  -13    3   15 o  316.593   4.0797  1003.68   25.810 -17.89667 8.159458 
1 1 1  -13    3   16 o  195.191   4.3920  381.371   17.083 6.217972 8.783910 
1 1 1  -13    3   17 o   66.814   10.980   47.232   14.446 12.13441 21.95919 
1 1 1  -13    3   18 o   36.025   10.954  -1.8929   14.458 5.909634 21.90881 
1 1 1  -13    3   19 o  145.586   5.2084  214.761   15.078 -13.35233 10.41681 
1 1 1  -13    3   20 o   71.953   10.114   54.851   14.238 -12.99240 20.22874 
1 1 1  -13    3   21 o   66.500   9.5607   59.705   11.806 -41.55414 19.12142 
1 1 1  -13    3   22 o  248.395   5.8928  618.262   29.275      ?      ? 
1 1 1  -13    3   23 o  231.255   3.5703  542.990   15.635 -6.533585 7.140514 
1 1 1  -13    3   24 o   97.797   5.1065   96.660   9.9837 4.001579 10.21291 
1 1 1  -13    3   25 o  204.814   2.9547  421.574   12.076 7.841797 5.909344 
1 1 1  -13    3   27 o   32.575   9.0740  -0.4464   10.052 18.97378 18.14809 
1 1 1  -13    3   28 f   34.043   9.3300   2.1880   10.275 18.45771 18.66005 
1 1 1  -13    3   29 o   93.178   5.7784   88.655   10.762 2.237015 11.55678 
1 1 1  -13    3   30 o   38.005   10.051   10.591   10.784 11.91830 20.10185 
1 1 1  -13    3   31 o  104.387   5.3076  111.655   11.005 -10.52789 10.61511 
1 1 1  -13    3   32 o   92.277   6.0171   87.252   11.069 -3.351784 12.03410 
1 1 1  -13    3   33 o   95.647   5.9047   93.585   11.236 8.393661 11.80933 
1 1 1  -13    3   34 o   63.313   11.420   46.133   15.294 32.15202 22.84074 
1 1 1  -13    4    4 o  378.535   6.2505  1435.04   47.321      ?      ? 
1 1 1  -13    4    5 o  375.602   6.2149  1412.96   46.686      ?      ? 
1 1 1  -13    4    6 o  382.292   4.4716  1463.85   34.188 4.804779 8.943249 
1 1 1  -13    4    7 o  231.031   4.4891  535.357   20.716 8.076065 8.978189 
1 1 1  -13    4    8 o  658.686   6.5778  4352.73   86.608 14.61255 13.15565 
1 1 1  -13    4    9 o  225.507   4.3144  509.023   19.433 -3.736237 8.628805 
1 1 1  -13    4   10 o  195.255   4.4450  381.861   17.345 -10.74556 8.889989 
1 1 1  -13    4   11 o  146.115   5.3853  214.268   15.732 -4.673538 10.77067 
1 1 1  -13    4   12 o  124.862   6.1978  156.386   15.357 21.23933 12.39566 
1 1 1  -13    4   13 o  190.591   4.5522  364.772   17.308 -15.65544 9.104352 
1 1 1  -13    4   14 o  260.905   4.0376  680.120   21.034 14.87677 8.075170 
1 1 1  -13    4   15 f  161.082   5.0988  261.263   16.391 -8.659164 10.19760 
1 1 1  -13    4   16 f   30.006   9.8820 -19.1826   14.517 3.869246 19.76409 
1 1 1  -13    4   17 o  228.790   3.9681  524.880   18.143 2.607040 7.936174 
1 1 1  -13    4   18 o  257.679   3.9159  666.114   20.176 6.368851 7.831786 
1 1 1  -13    4   19 o  145.439   5.1423  213.364   14.898 -1.817245 10.28462 
1 1 1  -13    4   20 o  103.176   6.9697  107.612   14.353 5.749054 13.93944 
1 1 1  -13    4   21 o   65.598   10.095   51.557   12.136 -22.56142 20.18954 
1 1 1  -13    4   22 o  180.792   6.8534  327.797   24.781      ?      ? 
1 1 1  -13    4   23 o   99.779   6.5992  105.370   11.994 -10.34479 13.19843 
1 1 1  -13    4   24 o  157.219   4.4158  248.617   12.380 0.2376709 8.831521 
1 1 1  -13    4   25 o  163.219   4.4479  268.746   14.520      ?      ? 
1 1 1  -13    4   26 o  126.734   6.1588  161.352   15.611      ?      ? 
1 1 1  -13    4   27 o   41.004   10.028   16.500   10.057 -3.170444 20.05642 
1 1 1  -13    4   28 f   91.485   5.7546   85.395   10.471 -6.927406 11.50921 
1 1 1  -13    4   29 o   28.338   8.8679  -6.2305   10.461 -8.667545 17.73574 
1 1 1  -13    4   30 o   81.336   6.5942   68.383   10.652 -7.633606 13.18847 
1 1 1  -13    4   31 o  122.097   4.5406  151.096   11.068 0.2818680 9.081211 
1 1 1  -13    4   32 o   67.483   8.4053   48.315   11.070 -4.087814 16.81054 
1 1 1  -13    4   33 o  113.711   4.9947  130.859   11.344 -8.243698 9.989433 
1 1 1  -13    4   34 o   34.630   10.961   11.571   15.541 9.009424 21.92145 
1 1 1  -13    5    4 f  273.045   5.9001  746.586   32.220      ?      ? 
1 1 1  -13    5    5 o  232.612   6.1151  541.931   28.449      ?      ? 
1 1 1  -13    5    6 o  399.342   4.5097  1597.57   36.018 1.561768 9.019423 
1 1 1  -13    5    7 f  346.414   4.2417  1199.65   29.344 -11.73633 8.483407 
1 1 1  -13    5    8 o  314.231   4.1136  989.088   25.847 1.044281 8.227166 
1 1 1  -13    5    9 o  152.597   5.4685  233.261   16.675 -4.836853 10.93709 
1 1 1  -13    5   10 o  296.546   3.9905  880.905   23.667 -2.835297 7.981039 
1 1 1  -13    5   11 o  163.401   4.9545  268.016   16.177 -5.958405 9.909023 
1 1 1  -13    5   12 f  478.070   5.0150  2292.36   47.948 -4.600708 10.02994 
1 1 1  -13    5   13 o   89.209   8.8432   81.219   15.597 -12.75763 17.68648 
1 1 1  -13    5   14 o  239.644   4.0717  574.777   19.494 8.236191 8.143383 
1 1 1  -13    5   15 o  115.955   6.7078  137.199   15.361 -18.21539 13.41559 
1 1 1  -13    5   16 o  151.562   5.0642  230.298   15.315 4.855057 10.12850 
1 1 1  -13    5   17 o  308.747   3.9067  955.964   24.104 3.278625 7.813446 
1 1 1  -13    5   18 o   90.875   7.8395   84.444   14.127 -6.645348 15.67895 
1 1 1  -13    5   19 o  142.517   5.1673  203.289   14.668 10.73094 10.33460 
1 1 1  -13    5   20 o   50.793   10.441   28.517   11.004 -8.967491 20.88265 
1 1 1  -13    5   21 o  129.553   9.3099  169.783   24.123      ?      ? 
1 1 1  -13    5   22 f  166.657   4.3665  256.989   13.646 36.13565 8.733033 
1 1 1  -13    5   23 o   77.697   8.1904   62.590   11.266 -1.233109 16.38087 
1 1 1  -13    5   24 o  101.989   6.4085  108.440   11.275 -6.144577 12.81703 
1 1 1  -13    5   25 o   55.569   9.5821   39.576   11.362 -30.76908 19.16428 
1 1 1  -13    5   26 o   28.491   8.3984 -11.3948   10.211 -18.56461 16.79683 
1 1 1  -13    5   27 o   39.607   9.2367   13.696   9.9557 -20.46845 18.47335 
1 1 1  -13    5   28 o  131.177   4.9554  178.110   12.485 13.75699 9.910764 
1 1 1  -13    5   29 o  106.205   5.0527  114.959   10.711 -4.357811 10.10541 
1 1 1  -13    5   30 o  109.605   4.9911  121.841   10.921 9.306267 9.982242 
1 1 1  -13    5   31 o   47.292   9.8232   24.233   10.742 -19.21576 19.64642 
1 1 1  -13    5   32 o  155.110   3.8636  242.487   11.972 5.187836 7.727297 
1 1 1  -13    5   33 o   73.430   7.5055   55.622   10.991 3.208359 15.01096 
1 1 1  -13    6    3 o  308.832   5.9357  955.162   36.663      ?      ? 
1 1 1  -13    6    4 o  521.335   7.6329  2724.62   79.586      ?      ? 
1 1 1  -13    6    5 o  403.040   6.4066  1627.33   51.642      ?      ? 
1 1 1  -13    6    6 o  322.534   5.9356  1041.95   38.288      ?      ? 
1 1 1  -13    6    7 f  209.893   4.3870  440.155   18.389 -10.66521 8.774007 
1 1 1  -13    6    8 o  165.976   5.1017  276.446   16.908 2.719406 10.20347 
1 1 1  -13    6    9 o  452.508   4.8251  2052.69   43.664 -2.991058 9.650136 
1 1 1  -13    6   10 o  204.638   4.3435  419.466   17.767 -9.897781 8.687069 
1 1 1  -13    6   11 o  193.575   4.4273  375.695   17.136 -2.371048 8.854594 
1 1 1  -13    6   12 o  178.583   4.7275  320.917   16.820 -15.56032 9.454975 
1 1 1  -13    6   13 o  226.319   4.1376  508.918   18.647 24.63049 8.275203 
1 1 1  -13    6   14 o  439.369   4.7155  1936.69   41.415 7.984314 9.431066 
1 1 1  -13    6   15 o  194.846   4.3469  381.086   16.908 0.3779602E-01 8.693791 
1 1 1  -13    6   16 o  249.301   3.8495  623.000   19.183 3.229523 7.699081 
1 1 1  -13    6   17 o   30.172   9.8255 -14.2660   13.709 -1.077517 19.65104 
1 1 1  -13    6   18 o   25.389   8.6863 -30.8715   13.557 -2.276209 17.37261 
1 1 1  -13    6   19 o  205.766   4.1063  424.435   16.851 6.369476 8.212654 
1 1 1  -13    6   20 f   95.656   6.7880   94.993   11.469 -5.152939 13.57596 
1 1 1  -13    6   21 o  259.389   5.9111  674.579   30.665      ?      ? 
1 1 1  -13    6   22 o   31.490   9.4363  -5.8764   12.168 -12.54930 18.87255 
1 1 1  -13    6   23 o  155.620   4.3237  246.827   12.001 -4.675446 8.647386 
1 1 1  -13    6   24 o   60.692   11.022   38.974   12.886      ?      ? 
1 1 1  -13    6   25 o   95.742   6.3300   88.746   11.457 11.22701 12.66000 
1 1 1  -13    6   26 o  133.263   4.9811  183.899   12.132 -8.133591 9.962111 
1 1 1  -13    6   27 f  131.188   4.1066  173.656   10.742 2.112701 8.213163 
1 1 1  -13    6   28 o  160.400   4.2735  256.743   13.250 -5.433105 8.547049 
1 1 1  -13    6   29 o   77.116   6.9673   62.006   10.576 -11.76134 13.93462 
1 1 1  -13    6   30 f   99.168   5.4488  100.154   10.761 -0.4883499 10.89768 
1 1 1  -13    6   31 o  149.315   3.9176  225.206   11.646 1.081223 7.835113 
1 1 1  -13    6   32 o   93.657   6.1431   91.324   11.277 -19.60901 12.28615 
1 1 1  -13    6   33 o   50.231   10.223   27.400   10.811 0.8890610 20.44549 
1 1 1  -13    7    3 o  380.249   6.1511  1448.28   46.779      ?      ? 
1 1 1  -13    7    4 o  226.851   5.9788  515.435   27.126      ?      ? 
1 1 1  -13    7    5 o  250.457   5.8132  628.261   29.119      ?      ? 
1 1 1  -13    7    6 o  192.629   6.4863  371.811   24.989      ?      ? 
1 1 1  -13    7    7 o  376.335   4.3475  1417.95   32.710 11.53638 8.694906 
1 1 1  -13    7    8 o  313.383   4.1179  983.912   25.809 1.006866 8.235740 
1 1 1  -13    7    9 o  269.572   4.0378  727.934   21.766 -7.270355 8.075670 
1 1 1  -13    7   10 o   50.858   12.265   24.194   15.022 -4.646496 24.52940 
1 1 1  -13    7   11 o   32.523   10.103 -20.9940   14.861 -18.30462 20.20555 
1 1 1  -13    7   12 o  156.786   5.1004  245.675   15.934 19.18723 10.20079 
1 1 1  -13    7   13 o  379.130   4.3026  1440.67   32.608 6.173859 8.605189 
1 1 1  -13    7   14 o  320.966   4.0205  1033.41   25.791 0.5566711 8.040915 
1 1 1  -13    7   15 o   34.660   10.685  -3.4003   13.871 3.610435 21.36918 
1 1 1  -13    7   16 o   45.257   11.331   15.977   13.423 16.31732 22.66291 
1 1 1  -13    7   17 o   99.665   6.9781  101.232   13.775 -6.662651 13.95623 
1 1 1  -13    7   18 o  177.064   4.3882  315.671   15.478 -2.734299 8.776489 
1 1 1  -13    7   19 o   54.688   11.746   31.136   13.948 6.219521 23.49205 
1 1 1  -13    7   21 o  258.611   3.5721  596.169   16.352 59.79364 7.144108 
1 1 1  -13    7   22 o   48.286   11.176   23.471   11.596 5.411446 22.35207 
1 1 1  -13    7   23 o  157.329   4.3696  248.799   12.159 0.3879700 8.739165 
1 1 1  -13    7   24 o   54.954   17.615   34.386   21.882      ?      ? 
1 1 1  -13    7   25 o  167.752   6.6310  282.551   22.247      ?      ? 
1 1 1  -13    7   26 o  121.816   5.3610  153.560   11.882 -6.423576 10.72208 
1 1 1  -13    7   27 o  104.091   7.2828  129.176   12.266 -34.84521 14.56558 
1 1 1  -13    7   28 o  223.456   2.9510  501.263   13.169 2.476517 5.902073 
1 1 1  -13    7   29 o   52.946   9.5247   29.715   10.574 22.46971 19.04938 
1 1 1  -13    7   30 o  118.939   4.7063  143.168   11.153 1.880714 9.412526 
1 1 1  -13    7   31 o   44.884   10.035   20.820   10.914 -17.01283 20.06980 
1 1 1  -13    7   32 o   48.077   10.421   24.800   10.973 3.438248 20.84204 
1 1 1  -13    7   33 o   31.528   9.5327   0.6248   10.763 -3.749495 19.06545 
1 1 1  -13    8    2 o  463.029   6.9076  2148.58   63.968      ?      ? 
1 1 1  -13    8    3 f  320.569   5.7681  1029.22   36.981      ?      ? 
1 1 1  -13    8    4 o  181.449   6.6570  329.933   24.158      ?      ? 
1 1 1  -13    8    5 o  337.478   5.8479  1140.84   39.471      ?      ? 
1 1 1  -13    8    6 o  350.814   5.8690  1232.92   41.179      ?      ? 
1 1 1  -13    8    7 o  166.542   5.0860  278.219   16.933 1.442917 10.17204 
1 1 1  -13    8    8 o  333.489   4.1231  1114.28   27.499 1.829590 8.246191 
1 1 1  -13    8    9 o   80.739   10.252   70.648   15.599 -38.52987 20.50443 
1 1 1  -13    8   10 o  170.985   4.9956  293.412   17.074 -4.298798 9.991278 
1 1 1  -13    8   11 o  386.563   4.3808  1490.95   33.754 20.53101 8.761683 
1 1 1  -13    8   12 o  454.466   4.8359  2063.63   43.826 23.62704 9.671776 
1 1 1  -13    8   13 o   53.277   12.246   28.145   14.997 5.892067 24.49219 
1 1 1  -13    8   14 o  297.254   3.9325  885.443   23.349 5.489624 7.864949 
1 1 1  -13    8   15 o  237.232   3.8713  563.840   18.348 5.071182 7.742679 
1 1 1  -13    8   16 o   32.204   10.151  -8.2851   13.550 -5.163568 20.30122 
1 1 1  -13    8   17 o  258.491   6.4751  308.304   19.362 -333.1965 12.95024 
1 1 1  -13    8   18 o   84.516   8.1951   73.043   13.666 -1.831841 16.39025 
1 1 1  -13    8   19 o   33.882   10.060   3.1661   11.172 -0.7674942 20.12024 
1 1 1  -13    8   20 o  112.451   6.7839  145.554   12.538 -31.72479 13.56772 
1 1 1  -13    8   21 o  201.996   6.6780  409.783   26.979      ?      ? 
1 1 1  -13    8   22 o  151.299   4.5217  229.423   12.127 1.348633 9.043317 
1 1 1  -13    8   23 o   32.809   13.087   6.1410   12.906      ?      ? 
1 1 1  -13    8   24 o  265.729   3.6545  701.524   17.711 8.100830 7.308972 
1 1 1  -13    8   25 f  116.352   10.770  137.747   25.062      ?      ? 
1 1 1  -13    8   26 o   72.594   10.066   62.311   12.345 -18.27879 20.13204 
1 1 1  -13    8   27 o  126.660   5.5415  157.625   12.620 8.093903 11.08291 
1 1 1  -13    8   28 f   57.850   9.6140   45.231   12.362 -38.13307 19.22797 
1 1 1  -13    8   29 o  193.534   3.1898  376.260   12.315 4.348831 6.379544 
1 1 1  -13    8   30 o   62.220   8.9775   41.608   10.761 7.740440 17.95501 
1 1 1  -13    8   31 o   52.557   10.078   30.077   10.924 8.865475 20.15513 
1 1 1  -13    8   32 o  141.298   4.1134  201.246   11.620 3.991089 8.226842 
1 1 1  -13    8   33 o   82.642   6.6254   72.625   10.800 -13.73173 13.25071 
1 1 1  -13    9    2 o  489.232   7.2094  2399.58   70.541      ?      ? 
1 1 1  -13    9    3 o  356.293   5.9406  1271.70   42.332      ?      ? 
1 1 1  -13    9    4 o  330.583   5.8031  1094.77   38.368      ?      ? 
1 1 1  -13    9    5 o  154.320   7.4202  238.856   22.902      ?      ? 
1 1 1  -13    9    6 o  269.974   5.6208  730.157   30.349      ?      ? 
1 1 1  -13    9    7 o  338.071   4.1336  1144.90   27.945 -5.330994 8.267247 
1 1 1  -13    9    8 o  108.614   7.2377  118.775   15.711 -4.777718 14.47536 
1 1 1  -13    9    9 o  384.344   4.3648  1480.52   33.546 1.901367 8.729533 
1 1 1  -13    9   10 o  390.084   4.4296  1525.35   34.554 -0.3438110 8.859183 
1 1 1  -13    9   11 o  261.076   4.0116  671.907   20.759 32.64522 8.023263 
1 1 1  -13    9   12 o  175.926   4.6777  311.395   16.420 -8.932114 9.355348 
1 1 1  -13    9   13 o  207.660   4.1842  432.080   17.353 5.687469 8.368425 
1 1 1  -13    9   14 o   48.142   11.502   21.218   13.810 -14.21051 23.00352 
1 1 1  -13    9   15 o  168.113   4.4843  284.532   15.037 -7.284866 8.968652 
1 1 1  -13    9   16 f   37.902   10.790   4.6800   13.354 -10.83759 21.58008 
1 1 1  -13    9   17 o  118.366   5.9287  142.029   13.921 -3.607018 11.85744 
1 1 1  -13    9   18 o  267.535   3.8464  717.986   20.531 4.679504 7.692802 
1 1 1  -13    9   19 o   81.702   9.6960   96.569   12.106 -55.23714 19.39198 
1 1 1  -13    9   20 o  283.190   6.0934  803.713   34.512      ?      ? 
1 1 1  -13    9   21 o   62.417   9.4929   24.891   12.185 59.71131 18.98572 
1 1 1  -13    9   22 o   95.282   7.2568   99.468   11.483 -14.42930 14.51363 
1 1 1  -13    9   23 o  254.196   3.5522  647.651   16.294 2.059067 7.104412 
1 1 1  -13    9   24 o  454.571   7.0033  2076.40   63.670      ?      ? 
1 1 1  -13    9   25 o  178.703   4.5393  323.575   14.579 -1.544754 9.078513 
1 1 1  -13    9   26 f   41.962   11.377   14.356   12.186 4.952129 22.75476 
1 1 1  -13    9   27 o  142.955   5.1409  203.066   12.890 4.247391 10.28180 
1 1 1  -13    9   28 o   46.052   11.512   18.026   11.999 14.53529 23.02445 
1 1 1  -13    9   29 o   29.672   9.7374 -13.5182   11.987 13.09812 19.47478 
1 1 1  -13    9   30 o   65.605   10.278   42.686   12.276 19.49842 20.55668 
1 1 1  -13    9   31 o   31.066   9.2926  -2.6265   10.829 12.34453 18.58512 
1 1 1  -13    9   32 o   92.749   6.0019   87.745   11.081 -11.44498 12.00383 
1 1 1  -13   10    1 o  393.685   6.1731  1553.03   48.605      ?      ? 
1 1 1  -13   10    2 o  211.945   5.9680  450.073   25.298      ?      ? 
1 1 1  -13   10    3 o  123.587   8.8395  153.397   21.849      ?      ? 
1 1 1  -13   10    4 o  227.678   5.8181  519.369   26.493      ?      ? 
1 1 1  -13   10    5 o  157.364   7.1275  248.369   22.432      ?      ? 
1 1 1  -13   10    6 f  360.126   5.9256  1299.65   42.679      ?      ? 
1 1 1  -13   10    7 o  327.185   4.0494  1072.60   26.497 -4.059021 8.098716 
1 1 1  -13   10    8 o  293.853   4.0089  864.430   23.546 -14.53134 8.017760 
1 1 1  -13   10    9 o  127.071   6.2677  163.835   15.769 -12.82680 12.53535 
1 1 1  -13   10   10 o  178.934   4.7165  315.445   16.660 40.31343 9.433007 
1 1 1  -13   10   11 o  262.840   3.8972  692.007   20.452 4.086548 7.794384 
1 1 1  -13   10   12 o   77.509   9.7466   64.947   14.286 -26.38132 19.49326 
1 1 1  -13   10   13 o  206.120   4.0423  426.253   16.656 -1.257614 8.084552 
1 1 1  -13   10   14 f  229.046   3.8471  525.755   17.614 7.167938 7.694168 
1 1 1  -13   10   15 o  139.170   5.1187  195.462   14.204 -8.759384 10.23739 
1 1 1  -13   10   16 o  110.602   6.2480  124.019   13.763 -4.045700 12.49607 
1 1 1  -13   10   17 o  160.005   4.5492  255.713   14.494 12.06749 9.098393 
1 1 1  -13   10   18 o  100.965   7.4361  107.601   14.468 -19.86191 14.87221 
1 1 1  -13   10   19 o  139.528   5.5426  208.439   13.146 -18.43675 11.08529 
1 1 1  -13   10   20 o  121.738   6.2374  113.468   13.206 77.97745 12.47471 
1 1 1  -13   10   21 f   63.918   10.259   48.810   11.561 -18.45524 20.51761 
1 1 1  -13   10   22 o  227.425   3.7592  518.726   17.099      ?      ? 
1 1 1  -13   10   23 o  129.909   9.4442  174.498   24.538      ?      ? 
1 1 1  -13   10   24 o  230.958   6.2846  535.899   29.030      ?      ? 
1 1 1  -13   10   25 o  166.482   4.6160  286.536   13.732 -9.208420 9.231978 
1 1 1  -13   10   26 o  233.711   3.7267  553.190   15.795 -3.886841 7.453497 
1 1 1  -13   10   27 o   25.454   8.6055 -20.5922   12.055 -0.1376438 17.21100 
1 1 1  -13   10   28 o   84.562   7.9428   71.335   11.900 5.424507 15.88562 
1 1 1  -13   10   29 f   83.470   7.9482   71.088   11.822 1.914558 15.89646 
1 1 1  -13   10   30 o   46.805   11.265   22.906   12.135 -1.758095 22.53045 
1 1 1  -13   10   31 o   40.730   10.732   7.5125   12.263 23.22029 21.46492 
1 1 1  -13   10   32 o   42.259   9.6187   14.767   10.588 -24.32263 19.23749 
1 1 1  -13   11    1 o  182.952   6.3725  335.506   23.317      ?      ? 
1 1 1  -13   11    2 o  170.906   6.6441  292.848   22.710      ?      ? 
1 1 1  -13   11    3 o  132.567   8.0957  176.427   21.465      ?      ? 
1 1 1  -13   11    4 o  149.606   7.2258  224.529   21.620      ?      ? 
1 1 1  -13   11    5 o  163.586   6.7656  268.357   22.135      ?      ? 
1 1 1  -13   11    6 o  385.429   6.1223  1488.97   47.194      ?      ? 
1 1 1  -13   11    7 o  229.915   4.0298  529.859   18.513 -12.39738 8.059557 
1 1 1  -13   11    8 o  174.095   4.6056  304.131   16.015 -2.667267 9.211298 
1 1 1  -13   11    9 o  233.510   4.0213  541.138   18.686 25.92587 8.042555 
1 1 1  -13   11   10 o  139.011   5.5919  194.465   15.525 -2.173401 11.18383 
1 1 1  -13   11   11 o  286.182   3.8615  821.583   22.089 -12.50232 7.723056 
1 1 1  -13   11   12 o  316.885   3.9404  1005.17   24.925 9.406372 7.880854 
1 1 1  -13   11   13 o  427.995   4.5648  1839.70   39.073 0.1645203 9.129614 
1 1 1  -13   11   14 o   36.239   10.794   2.1076   13.334 1.417820 21.58766 
1 1 1  -13   11   15 f  255.555   3.7417  655.836   19.096 -2.043976 7.483349 
1 1 1  -13   11   16 o   42.069   11.114   13.514   13.117 -9.240604 22.22755 
1 1 1  -13   11   17 o   66.218   10.426   48.288   13.655 -18.30594 20.85162 
1 1 1  -13   11   18 o   69.766   10.349   55.355   15.572 -51.63943 20.69755 
1 1 1  -13   11   19 o  191.953   4.0957  346.400   14.278 27.39696 8.191414 
1 1 1  -13   11   20 o   80.063   9.8849   92.234   12.269 -51.25177 19.76975 
1 1 1  -13   11   21 o  153.711   4.5696  220.149   12.037 21.86958 9.139234 
1 1 1  -13   11   22 o   26.404   13.005 -48.4343   24.424      ?      ? 
1 1 1  -13   11   23 o  326.795   3.6379  1078.93   22.459 -8.043793 7.275700 
1 1 1  -13   11   24 o   36.568   9.9689   2.5631   13.131 -19.23703 19.93773 
1 1 1  -13   11   25 o  257.918   3.6588  662.568   16.999 6.305847 7.317666 
1 1 1  -13   11   26 o  103.937   6.7810  112.130   12.251 -5.176933 13.56196 
1 1 1  -13   11   27 o   65.154   10.283   47.310   11.801 -6.917946 20.56542 
1 1 1  -13   11   28 o   40.218   10.539   14.591   11.509 -7.770374 21.07885 
1 1 1  -13   11   29 o   37.522   10.607   9.6141   11.687 -1.744286 21.21480 
1 1 1  -13   11   30 o   78.566   8.0701   59.108   12.065 20.21301 16.14022 
1 1 1  -13   11   31 o   80.138   8.0535   66.062   12.259 0.2976608 16.10698 
1 1 1  -13   11   32 o  117.143   5.5284  148.284   12.414 -23.43153 11.05683 
1 1 1  -13   12    1 o  187.371   6.2192  351.915   23.306      ?      ? 
1 1 1  -13   12    2 f  229.463   5.6304  527.559   25.839      ?      ? 
1 1 1  -13   12    3 o  185.249   6.2907  344.004   23.307      ?      ? 
1 1 1  -13   12    4 o  260.847   5.5272  681.684   28.835      ?      ? 
1 1 1  -13   12    5 o  451.840   6.7638  2047.32   61.123      ?      ? 
1 1 1  -13   12    6 o  259.565   5.5646  675.060   28.887      ?      ? 
1 1 1  -13   12    7 o  231.373   4.0480  519.482   18.412 55.63049 8.096044 
1 1 1  -13   12    8 o  117.667   6.3150  139.029   14.808 13.94935 12.62999 
1 1 1  -13   12    9 o  145.039   5.2306  212.521   15.074 -18.28043 10.46121 
1 1 1  -13   12   10 o  391.711   4.3236  1539.69   33.863 4.778778 8.647162 
1 1 1  -13   12   11 o  198.491   4.0884  395.211   16.184 0.1448059 8.176824 
1 1 1  -13   12   12 o  269.402   3.7356  728.094   20.121 -7.835114 7.471271 
1 1 1  -13   12   13 o  250.854   3.7209  631.154   18.650 1.340912 7.441843 
1 1 1  -13   12   14 o  102.382   6.4415  105.886   13.098 0.7307968 12.88309 
1 1 1  -13   12   15 o   85.347   7.8038   75.949   12.948 -12.16502 15.60753 
1 1 1  -13   12   16 o   94.234   7.1111   88.667   13.253 10.23435 14.22215 
1 1 1  -13   12   17 f   92.538   9.1226   89.544   14.884 59.62307 18.24518 
1 1 1  -13   12   18 o  224.942   4.3961  507.573   19.757 -5.144516 8.792171 
1 1 1  -13   12   19 f  105.952   6.9762  124.502   12.507 -19.88264 13.95245 
1 1 1  -13   12   20 o  146.135   4.6873  217.071   11.912 -2.995880 9.374516 
1 1 1  -13   12   21 o   27.455   8.8520 -10.7829   11.209 -4.203920 17.70406 
1 1 1  -13   12   22 o   83.236   9.8869  106.718   13.396 -69.36672 19.77371 
1 1 1  -13   12   23 o  145.750   8.7942  214.750   25.635      ?      ? 
1 1 1  -13   12   24 o  293.375   3.5635  860.378   19.248 4.799530 7.126944 
1 1 1  -13   12   25 o   47.509   10.691   25.220   11.912 -14.02859 21.38280 
1 1 1  -13   12   26 o   38.334   10.911   6.5219   11.403 15.09826 21.82225 
1 1 1  -13   12   27 o   65.262   9.9201   54.119   11.355 -26.35524 19.84028 
1 1 1  -13   12   28 o   75.497   8.5206   56.529   11.270 8.611687 17.04122 
1 1 1  -13   12   29 o   34.430   10.330   0.5866   11.321 14.12169 20.66016 
1 1 1  -13   12   30 o   36.852   10.576   5.0756   11.717 13.56387 21.15215 
1 1 1  -13   12   31 o   93.443   6.7253   93.066   11.890 -14.90720 13.45069 
1 1 1  -13   13    1 o  231.933   5.6115  538.972   26.030      ?      ? 
1 1 1  -13   13    2 o  231.074   5.6582  535.018   26.149      ?      ? 
1 1 1  -13   13    3 o  399.749   6.2009  1601.91   49.576      ?      ? 
1 1 1  -13   13    4 o  216.550   5.7555  469.977   24.927      ?      ? 
1 1 1  -13   13    5 o   99.836   10.390  100.454   20.746      ?      ? 
1 1 1  -13   13    6 o  149.079   7.2457  223.202   21.604      ?      ? 
1 1 1  -13   13    7 o  259.728   3.8347  676.368   19.917 1.721344 7.669347 
1 1 1  -13   13    8 o  229.252   3.8832  527.183   17.802 -4.616867 7.766374 
1 1 1  -13   13    9 f   96.793   7.1569   96.423   13.570 -19.06245 14.31376 
1 1 1  -13   13   10 o  173.483   4.3145  302.349   14.948 -3.859009 8.629020 
1 1 1  -13   13   11 o  169.166   4.1635  284.655   13.949 10.32657 8.326934 
1 1 1  -13   13   12 o  135.387   4.8651  184.472   13.063 -0.9591217 9.730174 
1 1 1  -13   13   13 o  190.613   3.8890  364.143   14.726 2.953842 7.777943 
1 1 1  -13   13   14 o  147.047   4.5735  215.949   13.288 6.600174 9.147070 
1 1 1  -13   13   15 o  105.858   6.1998  113.219   12.931 0.6143265 12.39951 
1 1 1  -13   13   16 o  126.137   5.8068  157.190   14.342 36.41769 11.61370 
1 1 1  -13   13   17 o  178.658   4.8954  323.109   16.660 -71.67058 9.790887 
1 1 1  -13   13   18 o   54.681   12.217   30.137   15.007 10.52859 24.43457 
1 1 1  -13   13   19 o  193.394   3.7519  382.129   12.750 -7.141113 7.503835 
1 1 1  -13   13   20 o  118.098   5.4009  143.043   11.062 -3.951889 10.80188 
1 1 1  -13   13   22 o  228.749   3.6656  479.316   15.589 52.07686 7.331277 
1 1 1  -13   13   23 o   98.862   8.1902  123.710   12.484 -51.33524 16.38050 
1 1 1  -13   13   24 o  152.860   4.5691  236.491   12.423 -0.6927490 9.138216 
1 1 1  -13   13   25 o  120.697   5.7318  139.008   12.280 14.34231 11.46368 
1 1 1  -13   13   26 o   45.220   10.447   22.545   11.627 -14.56780 20.89400 
1 1 1  -13   13   27 o  114.905   5.8368  131.317   11.960 5.608154 11.67356 
1 1 1  -13   13   28 f   77.211   8.7093   65.745   11.507 -9.333496 17.41868 
1 1 1  -13   13   29 o   54.795   10.643   30.331   11.563 16.00291 21.28633 
1 1 1  -13   13   30 o   89.025   7.1479   79.637   12.178 5.703842 14.29574 
1 1 1  -13   13   31 f   87.469   7.2525   87.340   11.218 -35.58149 14.50497 
1 1 1  -13   14    1 o  201.038   4.3406  407.687   17.351 17.99069 8.681154 
1 1 1  -13   14    2 o  238.473   5.4155  570.033   25.829      ?      ? 
1 1 1  -13   14    3 o  167.604   6.4927  281.917   21.764      ?      ? 
1 1 1  -13   14    4 o  292.934   5.4587  860.445   31.981      ?      ? 
1 1 1  -13   14    5 o  145.951   7.1499  214.089   20.871      ?      ? 
1 1 1  -13   14    6 o  159.554   6.5222  255.672   20.813      ?      ? 
1 1 1  -13   14    7 o  148.294   4.5950  219.160   13.553 10.10368 9.189949 
1 1 1  -13   14    8 o  167.324   4.2136  279.920   14.039 6.025726 8.427266 
1 1 1  -13   14    9 o   76.591   8.1719   59.390   12.443 0.8268585 16.34378 
1 1 1  -13   14   10 o   95.248   6.7629   93.597   12.567 -12.06822 13.52570 
1 1 1  -13   14   11 o   31.780   9.7549  -2.3989   11.625 -2.896408 19.50986 
1 1 1  -13   14   12 o  240.938   3.5823  581.687   17.196 4.188965 7.164699 
1 1 1  -13   14   13 o   78.980   7.9035   64.012   12.230 -3.622856 15.80704 
1 1 1  -13   14   14 o  109.398   5.8816  123.862   12.458 -12.96250 11.76316 
1 1 1  -13   14   15 o   27.401   9.1369 -19.9365   12.780 6.657526 18.27383 
1 1 1  -13   14   16 o  247.947   4.0739  569.290   19.241 -104.9082 8.147767 
1 1 1  -13   14   17 o  407.140   4.4976  1665.24   36.614 1.629089 8.995110 
1 1 1  -13   14   18 o  326.272   4.0055  1071.91   26.080 -0.7236938 8.010905 
1 1 1  -13   14   19 o  100.358   5.9016  101.458   11.845      ?      ? 
1 1 1  -13   14   20 o   32.996   8.5600  -1.2246   10.971 -23.35662 17.11994 
1 1 1  -13   14   21 o  205.514   5.9836  423.839   24.594      ?      ? 
1 1 1  -13   14   22 o   54.665   9.8074   34.508   12.085 -28.37666 19.61488 
1 1 1  -13   14   23 o   68.048   9.4760   58.012   11.348 -29.34696 18.95206 
1 1 1  -13   14   24 o  154.599   4.5756  243.417   12.539 -3.832458 9.151197 
1 1 1  -13   14   25 o  152.608   4.9146  257.253   12.887 -29.72691 9.829226 
1 1 1  -13   14   26 o  181.202   6.8949  332.885   24.987      ?      ? 
1 1 1  -13   14   27 o   60.959   10.499   41.583   11.772 -7.728497 20.99761 
1 1 1  -13   14   28 f   90.929   7.0720   80.631   11.860 12.19284 14.14396 
1 1 1  -13   14   29 o   39.668   10.649   12.836   12.067 -7.714672 21.29839 
1 1 1  -13   14   30 f  115.642   5.6915  133.518   12.735 8.059563 11.38310 
1 1 1  -13   15    1 o  203.875   4.1220  413.034   16.716 -19.00252 8.243934 
1 1 1  -13   15    2 o  295.933   5.3155  878.268   31.460      ?      ? 
1 1 1  -13   15    3 o  325.323   5.4831  1061.53   35.675      ?      ? 
1 1 1  -13   15    4 o  180.613   5.8711  327.307   21.208      ?      ? 
1 1 1  -13   15    5 f  322.233   5.4625  1041.29   35.204      ?      ? 
1 1 1  -13   15    6 o  197.635   5.6516  391.807   22.339      ?      ? 
1 1 1  -13   15    7 o  180.831   3.9666  324.718   14.221 13.25887 7.933136 
1 1 1  -13   15    8 o  316.636   3.7773  1003.92   23.859 7.769958 7.554552 
1 1 1  -13   15    9 o   70.643   9.3062   57.760   12.251 -36.03674 18.61243 
1 1 1  -13   15   10 f  115.467   5.3733  136.182   12.235 -14.44759 10.74655 
1 1 1  -13   15   11 o  209.023   3.5863  436.980   14.909 6.716553 7.172676 
1 1 1  -13   15   12 o   63.620   9.7408   43.288   11.916 -2.570126 19.48154 
1 1 1  -13   15   13 o  135.571   4.7341  184.249   12.728 4.751572 9.468193 
1 1 1  -13   15   14 o  156.371   4.4119  246.667   13.610 -1.247604 8.823803 
1 1 1  -13   15   15 o  317.640   3.8825  996.985   24.494 -44.35153 7.765027 
1 1 1  -13   15   16 f  288.696   3.7995  830.114   21.806 18.81317 7.598985 
1 1 1  -13   15   17 o  279.895   3.7910  788.568   21.154 -1.446136 7.581940 
1 1 1  -13   15   18 o  260.844   3.7219  682.380   19.265 5.764862 7.443826 
1 1 1  -13   15   19 o   39.777   7.5660   14.254   9.7991 -34.83578 15.13199 
1 1 1  -13   15   20 o  323.877   3.4767  1047.38   21.089 3.734863 6.953491 
1 1 1  -13   15   21 o   90.059   7.7338   92.751   11.987 -30.76636 15.46756 
1 1 1  -13   15   22 o  111.998   5.6698  135.373   11.557 -19.46056 11.33969 
1 1 1  -13   15   23 o   24.641   8.3611 -18.8340   10.950 3.599941 16.72212 
1 1 1  -13   15   24 f  202.451   3.6831  406.325   13.464 6.687225 7.366138 
1 1 1  -13   15   25 o   68.009   9.7342   57.197   11.388 -24.83272 19.46845 
1 1 1  -13   15   26 o  146.619   4.6738  216.272   12.252 1.505646 9.347672 
1 1 1  -13   15   27 o   24.652   8.4891 -24.3372   11.347 9.260061 16.97826 
1 1 1  -13   15   28 o  114.345   5.6344  132.727   11.919 0.6350784 11.26882 
1 1 1  -13   15   29 o  130.572   5.0694  170.343   12.318 4.275269 10.13885 
1 1 1  -13   15   30 o  118.483   5.4622  148.983   12.525 -13.76259 10.92442 
1 1 1  -13   16    1 o  342.341   4.0097  1175.10   27.427 -3.297943 8.019300 
1 1 1  -13   16    2 o  210.353   3.9553  444.527   16.603 5.741089 7.910671 
1 1 1  -13   16    3 o  219.905   5.2699  484.938   23.178      ?      ? 
1 1 1  -13   16    4 o  237.867   5.1788  567.411   24.637      ?      ? 
1 1 1  -13   16    5 o  230.884   5.2029  534.674   24.026      ?      ? 
1 1 1  -13   16    6 f  327.186   5.4733  1074.21   35.816      ?      ? 
1 1 1  -13   16    7 o  353.323   3.9689  1249.84   27.974 12.30518 7.937727 
1 1 1  -13   16    8 o  237.728   3.6144  568.618   17.121 -8.712769 7.228875 
1 1 1  -13   16    9 o  164.050   4.0927  271.661   13.350 -8.558411 8.185318 
1 1 1  -13   16   10 f  114.786   5.3881  133.477   12.256 -4.363098 10.77616 
1 1 1  -13   16   11 o  164.934   4.1679  279.168   13.451 -23.88512 8.335780 
1 1 1  -13   16   12 o  133.093   4.9006  179.201   12.838 -2.045807 9.801265 
1 1 1  -13   16   13 o  155.934   4.5516  250.188   13.851 -23.18773 9.103134 
1 1 1  -13   16   14 o  357.984   4.0668  1155.45   27.091 96.70895 8.133683 
1 1 1  -13   16   15 o   37.562   10.765   7.1655   12.337 1.752926 21.52933 
1 1 1  -13   16   16 o  130.460   5.1452  174.272   13.002 -7.769333 10.29042 
1 1 1  -13   16   17 o  262.675   3.7086  688.247   19.256 13.43800 7.417198 
1 1 1  -13   16   18 o   60.970   9.1196   45.513   12.793 -49.92934 18.23914 
1 1 1  -13   16   19 o   30.167   9.4401  -7.4312   10.524 13.98296 18.88020 
1 1 1  -13   16   20 f  167.165   3.8389  283.217   12.301 -5.524200 7.677849 
1 1 1  -13   16   21 o  132.187   4.6943  189.566   11.187 -26.03053 9.388552 
1 1 1  -13   16   22 o   24.559   8.1908 -14.8434   10.350 -1.061398 16.38153 
1 1 1  -13   16   23 o  101.301   5.9995  100.737   10.889 6.829918 11.99901 
1 1 1  -13   16   24 o   63.323   9.5926   48.063   10.867 -19.32168 19.18522 
1 1 1  -13   16   25 o   40.394   10.669   14.594   11.029 -0.7792435 21.33731 
1 1 1  -13   16   26 o  106.105   6.1497  118.297   11.523 -7.239937 12.29937 
1 1 1  -13   16   27 o   98.933   6.4680  101.827   11.551 -4.482674 12.93593 
1 1 1  -13   16   28 o   40.214   10.391   5.6338   11.321 26.90161 20.78203 
1 1 1  -13   16   29 o  118.089   5.2262  144.752   11.748 -9.361519 10.45241 
1 1 1  -13   17    1 o  215.082   3.8701  463.922   16.612 -1.965485 7.740142 
1 1 1  -13   17    2 o  250.388   3.7558  629.416   18.792 4.509415 7.511654 
1 1 1  -13   17    3 o  184.557   5.6531  341.918   20.866      ?      ? 
1 1 1  -13   17    4 o  188.449   5.5589  356.496   20.951      ?      ? 
1 1 1  -13   17    5 o  196.123   5.4618  386.157   21.424      ?      ? 
1 1 1  -13   17    6 o  183.366   5.6539  337.752   20.735      ?      ? 
1 1 1  -13   17    7 o   40.780   10.137   13.010   11.596 -17.12220 20.27319 
1 1 1  -13   17    8 o   67.054   8.9517   49.141   11.397 -19.69608 17.90344 
1 1 1  -13   17    9 o  208.718   3.5635  437.967   14.841 -5.673965 7.127040 
1 1 1  -13   17   10 o  148.156   4.4294  220.879   12.999 0.5516510 8.858819 
1 1 1  -13   17   11 o  352.474   3.9959  1237.09   27.911 25.97980 7.991787 
1 1 1  -13   17   12 o  268.705   3.8489  685.996   20.069 -87.72182 7.697714 
1 1 1  -13   17   13 o  302.762   3.8889  745.773   20.819 127.2313 7.777762 
1 1 1  -13   17   14 o  195.921   3.9605  385.123   15.130 4.108246 7.921048 
1 1 1  -13   17   15 o   31.327   9.1436  -7.3672   11.717 -17.21779 18.28720 
1 1 1  -13   17   16 f  297.914   3.7155  889.010   22.008 10.55234 7.431063 
1 1 1  -13   17   17 f   32.454   9.1565 -14.9901   12.840 -25.04058 18.31302 
1 1 1  -13   17   18 o  147.221   4.9261  218.185   14.454 -1.190964 9.852129 
1 1 1  -13   17   19 o  216.033   3.3561  470.146   13.887 -3.102661 6.712214 
1 1 1  -13   17   20 o   67.550   8.7074   57.843   10.185 -34.79850 17.41481 
1 1 1  -13   17   21 o   20.497   7.2373 -31.0647   10.111 5.348949 14.47453 
1 1 1  -13   17   22 f  162.859   4.0491  261.623   11.559 6.235855 8.098111 
1 1 1  -13   17   23 o   58.092   9.5132   43.178   10.497 -25.63572 19.02631 
1 1 1  -13   17   24 o   56.950   9.8000   39.027   10.678 -18.10249 19.60002 
1 1 1  -13   17   25 o  104.486   6.0789  111.236   11.205 -0.1856537 12.15781 
1 1 1  -13   17   26 f  156.880   4.3049  247.616   12.204 1.472610 8.609812 
1 1 1  -13   17   27 o  160.047   4.2517  256.636   12.426 3.014313 8.503363 
1 1 1  -13   17   28 o   85.048   7.2006   75.967   11.377 -6.345291 14.40125 
1 1 1  -13   18    1 o  131.211   5.0307  173.419   13.174 0.5509949E-01 10.06149 
1 1 1  -13   18    2 o  179.525   4.0267  322.297   14.410 -9.844208 8.053476 
1 1 1  -13   18    3 o  240.276   3.6329  580.424   17.425 7.164917 7.265790 
1 1 1  -13   18    4 o  302.287   5.1783  917.378   31.306      ?      ? 
1 1 1  -13   18    5 o  109.872   8.0518  121.864   17.693      ?      ? 
1 1 1  -13   18    6 o  197.395   5.4513  391.357   21.521      ?      ? 
1 1 1  -13   18    7 o   67.253   8.7837   47.450   11.344 -4.094742 17.56733 
1 1 1  -13   18    8 o  112.996   5.2824  127.988   11.856 7.370064 10.56473 
1 1 1  -13   18    9 o  101.573   6.2335  101.945   12.307 34.07301 12.46701 
1 1 1  -13   18   10 o   87.151   8.2468   84.689   12.705 -36.99364 16.49358 
1 1 1  -13   18   11 o  196.098   3.8401  378.870   14.872 19.51669 7.680282 
1 1 1  -13   18   12 o   29.973   9.3581 -10.3805   12.330 -10.11585 18.71629 
1 1 1  -13   18   13 o  249.133   3.6321  626.379   17.965 -6.712967 7.264141 
1 1 1  -13   18   14 o   90.917   6.8025   85.068   11.735 -3.694168 13.60498 
1 1 1  -13   18   15 o  151.110   4.4289  232.516   13.092 -8.313217 8.857830 
1 1 1  -13   18   16 o   46.787   9.0965   17.744   12.723 -40.87218 18.19308 
1 1 1  -13   18   17 o  208.401   3.9927  432.006   16.567 25.23808 7.985380 
1 1 1  -13   18   18 o  146.898   5.0507  216.658   14.321 52.67695 10.10143 
1 1 1  -13   18   19 o  137.689   4.8587  192.941   13.222 -26.34025 9.717422 
1 1 1  -13   18   20 o   78.070   8.0131   73.502   9.8229 -25.66785 16.02617 
1 1 1  -13   18   21 o  141.390   4.3488  195.698   10.797 7.823914 8.697507 
1 1 1  -13   18   22 o  111.920   5.5297  130.678   10.623 -6.003914 11.05948 
1 1 1  -13   18   23 o   63.985   9.3810   43.294   10.544 -0.9006462 18.76191 
1 1 1  -13   18   24 o  168.782   3.9463  286.676   11.922 0.5026550 7.892637 
1 1 1  -13   18   25 o   34.099   9.7063   5.7916   10.827 -7.893730 19.41261 
1 1 1  -13   18   26 o   28.444   8.8815  -6.7391   10.903 -7.449404 17.76290 
1 1 1  -13   18   27 o  147.108   4.4511  218.842   12.028 -1.016922 8.902277 
1 1 1  -13   18   28 o   84.720   7.4248   83.275   11.167 -25.85905 14.84960 
1 1 1  -13   19    1 o   80.056   7.8208   66.220   12.330 10.83769 15.64157 
1 1 1  -13   19    2 o  166.867   4.1285  281.627   13.690 13.39235 8.256936 
1 1 1  -13   19    3 o  190.338   3.8386  364.642   14.575 5.707138 7.677196 
1 1 1  -13   19    4 o  182.514   5.4041  334.796   19.726      ?      ? 
1 1 1  -13   19    5 o  262.392   5.0863  692.070   26.692      ?      ? 
1 1 1  -13   19    6 f  188.269   5.5151  356.668   20.767      ?      ? 
1 1 1  -13   19    7 o  100.146   6.8483  109.441   12.359 -49.93988 13.69661 
1 1 1  -13   19    8 o  213.561   4.0038  428.004   16.157 -100.2190 8.007536 
1 1 1  -13   19    9 o  141.451   4.9289  205.339   13.620 -27.21936 9.857864 
1 1 1  -13   19   10 o  320.291   3.8389  1030.32   24.583 -11.61557 7.677880 
1 1 1  -13   19   11 o   97.481   6.3049   98.602   11.853 -7.244377 12.60975 
1 1 1  -13   19   12 o   74.536   7.8458   56.451   11.296 1.685066 15.69159 
1 1 1  -13   19   13 f   30.314   9.5280  -4.3507   11.195 3.622910 19.05592 
1 1 1  -13   19   14 o   45.756   9.8721   22.085   11.455 -22.44695 19.74423 
1 1 1  -13   19   15 o  141.439   5.0286  212.422   13.417 -51.91237 10.05724 
1 1 1  -13   19   16 o  129.967   8.1732  188.982   13.722 149.2892 16.34635 
1 1 1  -13   19   17 o  128.928   5.1805  166.328   13.054 -38.47723 10.36098 
1 1 1  -13   19   18 o   42.890   10.937   17.306   12.025 -2.014545 21.87448 
1 1 1  -13   19   19 f   45.412   11.024   20.915   12.104 -4.115273 22.04894 
1 1 1  -13   19   20 o  211.334   3.3657  444.681   12.644 3.628967 6.731303 
1 1 1  -13   19   21 o   99.439   6.0639  105.538   10.111 -9.143669 12.12777 
1 1 1  -13   19   22 f  109.346   5.5931  128.032   10.359 -12.21912 11.18622 
1 1 1  -13   19   23 o  103.246   6.0185  116.120   10.477 -14.77908 12.03694 
1 1 1  -13   19   24 o  178.048   3.7782  319.290   12.070 0.4010468 7.556415 
1 1 1  -13   19   25 o  150.888   4.1861  232.198   11.592 -4.018677 8.372204 
1 1 1  -13   19   26 o   73.879   7.6743   51.707   10.695 17.30701 15.34869 
1 1 1  -13   19   27 o   48.355   10.117   26.816   11.149 -16.20039 20.23418 
1 1 1  -13   20    1 o  154.949   4.5990  243.758   14.111 12.57449 9.197968 
1 1 1  -13   20    2 o  170.180   4.4345  292.264   14.810 42.63202 8.869086 
1 1 1  -13   20    3 o  191.037   4.0813  364.066   15.540 -21.56322 8.162610 
1 1 1  -13   20    4 o  271.805   3.8604  702.703   20.444 72.95461 7.720863 
1 1 1  -13   20    5 o  382.959   5.9531  1469.68   45.596      ?      ? 
1 1 1  -13   20    6 o  351.634   5.6146  1238.92   39.486      ?      ? 
1 1 1  -13   20    7 f  203.006   3.6792  413.168   14.936 3.841629 7.358465 
1 1 1  -13   20    8 o  115.598   5.4215  137.475   12.332 -21.25481 10.84296 
1 1 1  -13   20    9 o   50.189   10.169   27.805   11.402 -17.41876 20.33705 
1 1 1  -13   20   10 o  138.221   4.5292  191.051   12.081 3.798889 9.058378 
1 1 1  -13   20   11 o   93.260   6.4233   88.063   11.384 0.9591522 12.84651 
1 1 1  -13   20   12 o  145.888   4.4362  213.896   12.606 1.983459 8.872405 
1 1 1  -13   20   13 o   96.842   6.9057  104.751   12.316 -38.18385 13.81145 
1 1 1  -13   20   14 o  164.802   4.1271  270.856   13.505 27.89810 8.254107 
1 1 1  -13   20   15 o  175.929   4.3146  300.077   14.353 81.56279 8.629277 
1 1 1  -13   20   16 o   91.608   7.8734   94.154   12.306 -55.36140 15.74681 
1 1 1  -13   20   17 o  117.312   5.2307  142.715   11.989 -15.19596 10.46147 
1 1 1  -13   20   18 o   45.821   10.033   22.077   11.569 -20.78603 20.06644 
1 1 1  -13   20   19 o  138.750   4.7940  189.198   13.032 17.69109 9.588004 
1 1 1  -13   20   20 o   37.041   8.9771   13.034   9.4652 -16.39377 17.95419 
1 1 1  -13   20   21 o  103.369   5.5763  106.979   10.000 2.678658 11.15256 
1 1 1  -13   20   22 o   51.982   9.0490   34.244   9.8182 -25.89822 18.09801 
1 1 1  -13   20   23 f   80.168   6.9851   61.356   10.193 13.91576 13.97013 
1 1 1  -13   20   24 o   36.871   10.276   9.1911   10.331 6.768112 20.55173 
1 1 1  -13   20   25 o   67.381   8.4985   42.438   10.685 30.93680 16.99708 
1 1 1  -13   20   26 o   80.052   6.9077   68.466   10.485 -11.57526 13.81544 
1 1 1  -13   21    1 o  227.309   3.7758  518.833   17.086 3.775620 7.551594 
1 1 1  -13   21    2 o  127.445   5.6375  169.946   13.684 42.90239 11.27491 
1 1 1  -13   21    3 o  227.740   3.8467  521.395   17.489 2.703613 7.693436 
1 1 1  -13   21    4 o  243.882   3.7381  593.430   18.143 -22.04843 7.476197 
1 1 1  -13   21    5 o  199.290   3.8477  400.372   15.323 -0.7583618 7.695312 
1 1 1  -13   21    6 o   79.322   10.642   64.498   16.883      ?      ? 
1 1 1  -13   21    7 o   30.382   9.3632  -1.8495   10.579 1.072847 18.72635 
1 1 1  -13   21    8 o   54.266   9.9004   32.257   10.767 -6.169331 19.80081 
1 1 1  -13   21    9 o  150.102   4.1153  224.681   12.118 7.064255 8.230605 
1 1 1  -13   21   10 o   43.201   9.7327   17.836   11.284 -22.28741 19.46545 
1 1 1  -13   21   11 o   37.544   10.601   8.8492   11.853 9.749260 21.20150 
1 1 1  -13   21   12 o  222.370   3.7284  496.979   16.557 -6.724716 7.456779 
1 1 1  -13   21   13 o  155.508   4.2324  241.818   13.121 -17.60103 8.464849 
1 1 1  -13   21   14 o  132.145   4.6318  176.924   12.170 -17.99105 9.263675 
1 1 1  -13   21   15 o  101.262   5.8436  108.402   11.378 -24.43478 11.68724 
1 1 1  -13   21   16 o   30.707   9.6207  -4.2181   11.284 7.623327 19.24144 
1 1 1  -13   21   17 o   88.599   7.7330   89.432   11.889 -30.39877 15.46599 
1 1 1  -13   21   18 o   61.430   9.9929   39.854   11.709 8.458370 19.98588 
1 1 1  -13   21   19 o  113.017   5.7005  134.529   12.367 -18.15391 11.40095 
1 1 1  -13   21   20 o  148.669   4.0551  226.801   10.531 -5.649521 8.110167 
1 1 1  -13   21   21 o   80.921   7.0079   69.392   9.8758 -6.195007 14.01587 
1 1 1  -13   21   22 f  227.122   3.2537  515.222   13.467 4.079742 6.507442 
1 1 1  -13   21   23 o   33.573   9.5830   6.3627   9.9475 -3.689848 19.16603 
1 1 1  -13   21   24 o  101.144   5.6343  102.700   10.550 2.710640 11.26868 
1 1 1  -13   21   25 o  141.432   4.3287  211.190   11.673 -27.86718 8.657482 
1 1 1  -13   22    1 o  128.085   4.8627  169.553   12.152 23.46340 9.725464 
1 1 1  -13   22    2 o  250.934   3.5261  633.436   17.674 12.63690 7.052188 
1 1 1  -13   22    3 o  229.512   3.4635  528.832   15.852 -2.290039 6.927011 
1 1 1  -13   22    4 f  196.597   3.5774  388.372   14.021 -1.068756 7.154810 
1 1 1  -13   22    5 o   92.885   6.3116   87.388   11.682 -11.31245 12.62318 
1 1 1  -13   22    6 o   67.382   8.5796   51.423   10.644 -23.63961 17.15930 
1 1 1  -13   22    7 o  136.481   4.5040  183.136   12.034 16.32225 9.007922 
1 1 1  -13   22    8 o  107.842   5.8040  117.570   12.165 6.126671 11.60809 
1 1 1  -13   22    9 o   93.978   6.9889   91.560   12.864 -3.383430 13.97779 
1 1 1  -13   22   10 o  153.032   4.4857  236.142   13.609 -5.219589 8.971351 
1 1 1  -13   22   11 o  136.223   6.7891  186.469   18.497      ?      ? 
1 1 1  -13   22   12 o   50.235   10.578   26.153   12.576 -22.63642 21.15672 
1 1 1  -13   22   13 o  193.863   3.7197  380.480   14.353 -14.33507 7.439306 
1 1 1  -13   22   14 o   58.460   9.5560   40.314   11.321 -24.21473 19.11203 
1 1 1  -13   22   15 o   86.928   7.8499   86.470   11.844 -29.49476 15.69987 
1 1 1  -13   22   16 o  143.547   4.5224  201.538   12.692 19.45299 9.044881 
1 1 1  -13   22   17 o   41.313   10.415   16.047   11.744 -12.65676 20.83031 
1 1 1  -13   22   18 o   47.019   10.926   23.324   11.867 -5.081573 21.85179 
1 1 1  -13   22   19 f   60.530   10.600   40.536   12.588 -0.2882652 21.20067 
1 1 1  -13   22   20 o   72.658   8.9205   56.203   12.538 -1.377274 17.84090 
1 1 1  -13   22   21 o  120.138   4.8224  143.105   10.094 5.010864 9.644875 
1 1 1  -13   22   22 o  155.503   3.9062  243.519   10.968 0.3604431 7.812479 
1 1 1  -13   22   23 o  131.472   4.5089  178.734   10.668 -7.920021 9.017734 
1 1 1  -13   22   24 o   93.247   6.4394   87.040   11.456 7.208595 12.87882 
1 1 1  -13   23    1 f  200.786   3.6649  405.879   14.708 8.430328 7.329810 
1 1 1  -13   23    2 o  134.114   4.5967  183.592   12.205 12.60540 9.193462 
1 1 1  -13   23    3 o  136.395   4.5860  189.832   12.406 8.746201 9.171919 
1 1 1  -13   23    4 f  164.108   4.1292  273.705   13.514 2.916214 8.258454 
1 1 1  -13   23    5 o   65.153   9.0914   49.868   12.371 50.82317 18.18279 
1 1 1  -13   23    6 o  102.972   5.4796  106.071   10.461 2.586609 10.95923 
1 1 1  -13   23    7 o  110.322   8.0144  141.428   13.831 -82.95145 16.02871 
1 1 1  -13   23    8 o  271.834   3.9591  670.718   20.456 -106.9334 7.918195 
1 1 1  -13   23    9 o  134.729   5.3381  191.975   13.700 -33.46686 10.67628 
1 1 1  -13   23   10 o   24.808   8.2544 -25.1667   11.830 -9.641184 16.50885 
1 1 1  -13   23   11 o   31.176   9.0893  -8.1979   11.661 -18.46121 18.17852 
1 1 1  -13   23   12 o   66.365   9.2853   51.689   11.447 -23.87728 18.57052 
1 1 1  -13   23   13 o  151.820   4.3871  239.834   12.754 -19.12323 8.774229 
1 1 1  -13   23   14 o  224.016   3.6084  487.827   15.699 29.33159 7.216801 
1 1 1  -13   23   15 o   56.678   10.594   36.225   12.019 -6.475132 21.18762 
1 1 1  -13   23   16 o   88.025   7.3905   83.684   12.236 -16.18137 14.78100 
1 1 1  -13   23   17 o  123.362   5.2821  150.881   12.721 13.29786 10.56416 
1 1 1  -13   23   18 f   60.662   10.155   42.405   12.461 -19.94076 20.31016 
1 1 1  -13   23   19 f  181.669   4.0926  332.730   14.658 3.139404 8.185150 
1 1 1  -13   23   20 o   73.254   9.1317   59.766   12.440 -15.08199 18.26337 
1 1 1  -13   23   21 o   88.976   6.2767   82.350   9.9204 -3.921394 12.55345 
1 1 1  -13   23   22 o  106.758   5.3697  107.020   10.429 18.22759 10.73950 
1 1 1  -13   23   23 f  101.497   5.6183  105.053   10.540 0.2102814 11.23659 
1 1 1  -13   24    1 o  282.287   3.7493  746.440   20.370 -69.43146 7.498534 
1 1 1  -13   24    2 o  272.846   3.7474  691.656   19.653 -77.23053 7.494796 
1 1 1  -13   24    3 o  316.448   5.3677  1004.09   33.972      ?      ? 
1 1 1  -13   24    4 o  244.285   3.6876  595.302   17.968 -20.52493 7.375112 
1 1 1  -13   24    5 o  167.443   4.3219  279.995   14.204 -44.71118 8.643899 
1 1 1  -13   24    6 f  199.788   5.4725  402.031   21.867      ?      ? 
1 1 1  -13   24    7 o  219.527   3.2706  488.237   13.186 -4.397919 6.541186 
1 1 1  -13   24    8 o  193.417   3.7297  374.487   14.222 7.196121 7.459448 
1 1 1  -13   24    9 o   29.029   8.8841  -6.9626   10.998 -11.14880 17.76813 
1 1 1  -13   24   11 o   93.387   6.3132   82.976   11.219 19.41994 12.62636 
1 1 1  -13   24   12 f  161.871   4.1206  250.162   12.760 27.40826 8.241220 
1 1 1  -13   24   13 o   49.635   8.8794   28.089   11.460 -35.92481 17.75872 
1 1 1  -13   24   14 o   76.896   8.9825   73.159   11.781 -37.47431 17.96502 
1 1 1  -13   24   15 o   50.204   10.949   25.556   11.754 11.56435 21.89845 
1 1 1  -13   24   16 f  126.979   5.1495  166.764   12.561 -9.428116 10.29906 
1 1 1  -13   24   17 o   45.545   10.576   16.151   11.783 25.85999 21.15210 
1 1 1  -13   24   18 o   35.084   10.514   2.4245   12.310 8.596230 21.02771 
1 1 1  -13   24   19 o  179.744   4.0940  327.462   14.410 -3.286270 8.187912 
1 1 1  -13   24   20 f   59.400   10.289   38.328   12.038 6.311306 20.57850 
1 1 1  -13   24   21 o  101.399   6.2134  105.498   12.503 -6.094498 12.42682 
1 1 1  -13   24   22 o  113.148   5.4782  129.759   11.201 4.032761 10.95642 
1 1 1  -13   25    1 o  217.726   3.6896  477.594   16.027 20.64679 7.379147 
1 1 1  -13   25    2 o  243.502   3.6257  597.361   17.653 6.466217 7.251373 
1 1 1  -13   25    3 o  317.682   3.7991  1016.70   24.130 7.850494 7.598192 
1 1 1  -13   25    4 o  238.415   5.0908  572.631   24.274      ?      ? 
1 1 1  -13   25    5 o   91.837   6.8102   86.607   12.498 -5.309456 13.62047 
1 1 1  -13   25    6 o  108.560   5.4476  125.990   11.119 -20.72447 10.89528 
1 1 1  -13   25    7 o  143.667   4.3196  206.723   11.985 4.555527 8.639203 
1 1 1  -13   25    8 o  213.913   3.5992  459.446   15.120 2.144394 7.198431 
1 1 1  -13   25    9 o  161.051   4.1856  270.241   12.926 -24.84447 8.371139 
1 1 1  -13   25   10 o   85.164   7.2899   77.545   11.299 -10.92583 14.57974 
1 1 1  -13   25   11 o   36.574   9.6346   8.8957   11.101 -15.66610 19.26926 
1 1 1  -13   25   12 o  153.981   4.2336  236.329   12.449 6.539734 8.467107 
1 1 1  -13   25   13 o   48.710   10.762   24.340   11.037 6.379673 21.52316 
1 1 1  -13   25   14 o  121.377   5.2043  150.205   11.936 -1.684586 10.40851 
1 1 1  -13   25   15 o  101.862   6.2547  106.410   12.027 -1.238258 12.50933 
1 1 1  -13   25   16 o   66.074   9.8765   49.702   12.049 -11.98463 19.75303 
1 1 1  -13   25   17 o   64.156   10.188   43.162   12.222 10.23295 20.37499 
1 1 1  -13   25   18 f  124.672   5.2634  160.176   12.793 -8.123520 10.52674 
1 1 1  -13   25   19 o  120.802   5.2792  147.653   12.526 1.317383 10.55834 
1 1 1  -13   25   20 o   50.782   10.566   28.186   11.451 -3.163834 21.13225 
1 1 1  -13   26    1 o  218.062   3.5706  478.075   15.472 -2.094162 7.141182 
1 1 1  -13   26    2 o  325.046   3.8082  1064.14   24.739 0.2910461 7.616354 
1 1 1  -13   26    3 o  235.344   3.5979  555.047   16.872 -9.723495 7.195711 
1 1 1  -13   26    4 o  215.242   3.8041  457.310   16.019 63.49040 7.608130 
1 1 1  -13   26    5 o  172.424   4.8052  298.654   16.571      ?      ? 
1 1 1  -13   26    6 o  127.652   4.6043  161.367   11.566 12.39387 9.208562 
1 1 1  -13   26    7 o  160.672   4.0546  262.955   12.768 -8.808212 8.109224 
1 1 1  -13   26    8 o  132.129   4.7527  178.751   12.158 -4.563721 9.505324 
1 1 1  -13   26    9 o   95.698   6.4276   96.536   11.408 -8.673569 12.85516 
1 1 1  -13   26   10 o  317.537   3.7665  1018.28   23.817 -8.364105 7.533012 
1 1 1  -13   26   11 o  112.675   5.8446  138.798   11.716 -20.96137 11.68915 
1 1 1  -13   26   12 o  194.029   3.7303  374.269   13.881 9.108673 7.460604 
1 1 1  -13   26   13 o  102.414   5.9684  107.748   11.286 -2.221275 11.93680 
1 1 1  -13   26   14 o   71.324   8.7269   55.209   11.273 -5.762283 17.45386 
1 1 1  -13   26   15 o   77.317   8.4950   65.261   11.697 -9.027428 16.98999 
1 1 1  -13   26   16 o  158.459   4.3593  254.731   13.306 -1.871567 8.718566 
1 1 1  -13   26   17 f   89.006   6.9690   79.547   12.168 9.552513 13.93798 
1 1 1  -13   26   18 o  149.254   4.3969  225.230   13.083 -1.880081 8.793789 
1 1 1  -13   26   19 o   61.656   9.4216   41.903   11.574 -18.75795 18.84313 
1 1 1  -13   27    1 o  169.422   5.4630  290.079   18.511      ?      ? 
1 1 1  -13   27    2 o  198.074   3.9020  398.429   15.374 10.61200 7.804037 
1 1 1  -13   27    4 o  110.957   6.0668  125.356   13.411 -13.41569 12.13357 
1 1 1  -13   27    5 o  115.259   5.0430  136.771   11.214 -7.394279 10.08598 
1 1 1  -13   27    6 o   55.856   9.4890   35.311   10.733 -16.90550 18.97793 
1 1 1  -13   27    7 o   76.096   7.3150   57.508   10.867 12.39845 14.62996 
1 1 1  -13   27    8 o   40.842   10.451   15.743   10.747 -1.276409 20.90238 
1 1 1  -13   27    9 o   28.380   9.1414  -7.3381   10.397 8.013565 18.28276 
1 1 1  -13   27   10 o   61.449   9.5295   35.395   10.808 27.36974 19.05896 
1 1 1  -13   27   11 o  151.259   4.2970  232.937   12.325 -3.412140 8.594064 
1 1 1  -13   27   12 o  153.936   4.1990  241.387   12.361 -3.851837 8.398061 
1 1 1  -13   27   13 o   64.265   9.4080   43.999   11.245 -0.7471962 18.81600 
1 1 1  -13   27   14 o  205.522   3.6838  427.127   14.851 -2.945450 7.367675 
1 1 1  -13   27   15 o  106.465   5.8853  117.721   12.065 -8.801544 11.77066 
1 1 1  -13   27   16 o  101.647   6.2250  105.436   12.570 -0.7036438 12.45009 
1 1 1  -13   27   17 o  115.555   5.4754  135.044   12.478 -27.01609 10.95070 
1 1 1  -13   28    2 f  213.516   5.1935  459.753   22.178      ?      ? 
1 1 1  -13   28    3 o  248.898   5.1061  624.558   25.418      ?      ? 
1 1 1  -13   28    4 o  135.033   6.9281  185.040   18.711      ?      ? 
1 1 1  -13   28    5 o  140.386   4.2671  195.002   11.572 10.83685 8.534246 
1 1 1  -13   28    6 o  100.769   5.7619  102.126   11.024 3.947609 11.52380 
1 1 1  -13   28    7 f  102.398   5.8888  110.417   11.118 -9.564629 11.77757 
1 1 1  -13   28    8 o   61.649   9.3303   47.223   10.892 -27.75139 18.66068 
1 1 1  -13   28    9 o  146.400   4.2915  213.970   11.899 5.991730 8.582901 
1 1 1  -13   28   10 o   67.060   8.9613   46.643   11.157 9.326180 17.92252 
1 1 1  -13   28   11 o   91.989   6.3826   83.101   11.413 16.00300 12.76521 
1 1 1  -13   28   12 o  107.951   5.4971  115.117   11.488 12.48562 10.99413 
1 1 1  -13   28   13 o  113.503   5.2582  131.102   11.559 -1.790504 10.51641 
1 1 1  -13   28   14 o  144.651   4.2446  208.676   12.152 11.35829 8.489113 
1 1 1  -13   28   15 o   96.089   6.0875   95.729   11.457 -23.28026 12.17492 
1 1 1  -13   29    1 o   70.030   13.541   53.601   18.289      ?      ? 
1 1 1  -13   29    2 f  116.697   8.2980  139.467   19.367      ?      ? 
1 1 1  -13   29    3 o  206.106   5.4035  429.204   22.274      ?      ? 
1 1 1  -13   29    4 o   94.444   10.061   92.406   19.004      ?      ? 
1 1 1  -13   29    5 o  100.374   5.8366  100.524   11.228 7.996574 11.67320 
1 1 1  -13   29    6 o  148.464   4.2364  222.976   12.226 -0.4891510 8.472767 
1 1 1  -13   29    7 o  158.577   6.1500  254.400   19.505      ?      ? 
1 1 1  -13   29    8 o  139.015   4.3350  197.036   11.818 -5.986008 8.669989 
1 1 1  -13   29    9 o  120.167   4.8900  148.373   11.425 -7.281769 9.779964 
1 1 1  -13   29   10 o  211.831   3.4948  452.287   14.698 -2.602463 6.989627 
1 1 1  -13   29   11 o  127.713   4.4666  164.081   11.306 3.686996 8.933192 
1 1 1  -13   29   12 o  161.269   3.7589  263.301   12.064 -16.52791 7.517748 
1 1 1  -13   29   13 o   99.867   5.2598  104.265   10.210 9.776878 10.51957 
1 1 1  -13   30    1 o  112.482   8.1638  129.269   18.365      ?      ? 
1 1 1  -13   30    2 o  179.257   5.7713  324.835   20.691      ?      ? 
1 1 1  -13   30    3 o  152.008   6.2343  233.984   18.953      ?      ? 
1 1 1  -13   30    4 o  207.302   5.0562  433.162   20.963      ?      ? 
1 1 1  -13   30    5 o  120.841   6.8389  147.984   16.528      ?      ? 
1 1 1  -13   30    6 f  205.358   4.9749  424.460   20.433      ?      ? 
1 1 1  -13   30    7 o  167.112   3.7285  281.736   12.428 -4.835190 7.456962 
1 1 1  -13   30    8 o  129.713   4.3024  170.635   11.112 -10.12549 8.604742 
1 1 1  -13   30    9 o   76.263   6.6625   59.562   10.146 -5.853958 13.32500 
1 1 1  -13   30   10 o  193.544   3.3711  371.483   12.924 -30.10556 6.742178 
1 1 1  -13   31    1 o  231.603   4.5297  539.412   20.982      ?      ? 
1 1 1  -13   31    2 o  226.966   4.6251  518.227   20.995      ?      ? 
1 1 1  -13   31    3 o  128.810   6.0579  167.712   15.606      ?      ? 
1 1 1  -13   31    4 o   79.517   8.4361   64.688   13.416      ?      ? 
1 1 1  -13   31    5 o   32.884   12.819   7.9615   12.157      ?      ? 
1 1 1  -13   31    6 o  153.946   4.6773  240.733   14.401      ?      ? 
1 1 1  -12    0    5 o  287.020   5.7411  825.131   32.927 -0.000000 0.000000 
1 1 1  -12    0    6 f  428.299   6.6318  1836.87   56.777 -0.000000 0.000000 
1 1 1  -12    0    7 o  174.452   7.3130  306.210   25.418 -0.000000 0.000000 
1 1 1  -12    0    8 o   35.018   20.005   16.266   21.702 -0.000000 0.000000 
1 1 1  -12    0    9 o  270.263   5.5894  731.716   30.183 -0.000000 0.000000 
1 1 1  -12    0   10 o  131.957   8.6210  176.562   22.553 -0.000000 0.000000 
1 1 1  -12    0   11 o   79.218   15.793   69.839   22.244 -0.000000 0.000000 
1 1 1  -12    0   12 o  353.259   5.9947  1249.95   42.326 -0.000000 0.000000 
1 1 1  -12    0   13 o  314.487   5.7669  990.779   36.245 -0.000000 0.000000 
1 1 1  -12    0   14 o  105.613   10.674  115.244   22.130 -0.000000 0.000000 
1 1 1  -12    0   15 o  120.426   9.3521  147.993   22.257 -0.000000 0.000000 
1 1 1  -12    0   16 f  108.289   10.831  121.158   23.030 -0.000000 0.000000 
1 1 1  -12    0   17 o  130.976   9.4339  174.673   24.455 -0.000000 0.000000 
1 1 1  -12    0   18 o  165.087   7.6911  274.991   25.276 -0.000000 0.000000 
1 1 1  -12    0   19 o  134.788   5.8761  185.958   15.462 -0.000000 0.000000 
1 1 1  -12    0   20 o   37.020   14.171   20.080   14.361 -0.000000 0.000000 
1 1 1  -12    0   21 f  104.020   7.1610  111.757   14.319 -0.000000 0.000000 
1 1 1  -12    0   22 o  209.299   4.1081  443.260   16.824 -0.000000 0.000000 
1 1 1  -12    0   23 o  209.025   4.2992  441.050   17.531 -0.000000 0.000000 
1 1 1  -12    0   25 o  131.473   6.2222  181.188   15.550 -0.000000 0.000000 
1 1 1  -12    0   26 o   23.780   11.228  -4.2222   13.272 -0.000000 0.000000 
1 1 1  -12    0   27 o   20.929   10.229 -13.0001   14.113 -0.000000 0.000000 
1 1 1  -12    0   28 o   76.342   10.514   64.894   14.333 -0.000000 0.000000 
1 1 1  -12    0   29 o   40.492   14.435   25.307   14.536 -0.000000 0.000000 
1 1 1  -12    0   30 o   58.104   14.612   45.885   15.468 -0.000000 0.000000 
1 1 1  -12    0   31 o  136.050   6.1500  189.833   16.559 -0.000000 0.000000 
1 1 1  -12    0   32 o   99.882   7.9562  105.406   15.525 -0.000000 0.000000 
1 1 1  -12    0   33 o   98.651   8.0917  103.290   15.519 -0.000000 0.000000 
1 1 1  -12    0   34 o  143.695   5.6177  208.375   15.958 -0.000000 0.000000 
1 1 1  -12    0   35 o   34.052   13.674   16.182   14.903 -0.000000 0.000000 
1 1 1  -12    1    5 o  403.357   6.3658  1628.63   51.354      ?      ? 
1 1 1  -12    1    6 o  223.047   4.3818  497.608   19.533 -11.91649 8.763503 
1 1 1  -12    1    7 o  291.264   4.1103  849.156   23.941 -4.112335 8.220560 
1 1 1  -12    1    8 o  230.210   4.2304  530.559   19.476 -4.641739 8.460782 
1 1 1  -12    1    9 o  332.335   4.1109  1104.12   27.300 -10.64908 8.221748 
1 1 1  -12    1   10 o  427.050   4.6475  1826.08   39.687 -3.714783 9.294977 
1 1 1  -12    1   11 f  229.617   4.2776  528.067   19.639 6.382538 8.555173 
1 1 1  -12    1   12 o  258.044   4.1466  666.712   21.398 3.482147 8.293147 
1 1 1  -12    1   13 o  561.084   5.7164  3157.65   64.147 -1.774841 11.43288 
1 1 1  -12    1   14 o  168.946   5.1394  285.926   17.357 -6.251877 10.27883 
1 1 1  -12    1   15 o   49.668   12.285   20.654   15.827 15.06557 24.56924 
1 1 1  -12    1   16 o  170.261   5.2011  291.313   17.636 19.63795 10.40226 
1 1 1  -12    1   17 o   86.371   10.160   77.315   16.651 -31.63831 20.31975 
1 1 1  -12    1   18 o  398.024   4.5147  1589.78   35.938 3.272095 9.029342 
1 1 1  -12    1   19 o   84.823   8.6577   82.558   12.299 -24.69061 17.31541 
1 1 1  -12    1   20 o   89.702   5.7399   81.436   10.244 7.379303 11.47984 
1 1 1  -12    1   21 o  287.035   2.7475  825.328   15.771 -3.098175 5.495090 
1 1 1  -12    1   22 o  196.683   2.9566  387.788   11.629 1.613586 5.913216 
1 1 1  -12    1   23 o  102.764   5.0707  106.555   10.417 1.800285 10.14131 
1 1 1  -12    1   24 o  213.064   3.1042  454.594   13.221 -1.154633 6.208435 
1 1 1  -12    1   25 o  140.669   3.9780  199.624   11.187 0.5805969E-01 7.956070 
1 1 1  -12    1   26 o   37.439   10.226   10.178   10.819 -0.4347992 20.45299 
1 1 1  -12    1   27 o  101.059   6.7652  104.313   13.674      ?      ? 
1 1 1  -12    1   28 o  168.514   4.9164  284.863   16.570      ?      ? 
1 1 1  -12    1   29 o   59.074   8.7374   37.047   10.203 17.31242 17.47481 
1 1 1  -12    1   30 o   56.496   9.6643   34.128   10.877 12.17694 19.32862 
1 1 1  -12    1   32 o   37.488   10.240   10.754   10.897 -0.2002335 20.48050 
1 1 1  -12    1   33 o   30.291   9.3644  -1.6226   10.790 -1.191935 18.72886 
1 1 1  -12    1   34 o   73.503   7.4400   56.152   10.854 -10.98251 14.88005 
1 1 1  -12    1   35 o  113.742   4.7911  131.046   10.895 -4.515411 9.582223 
1 1 1  -12    2    5 o  386.759   6.2835  1497.37   48.604      ?      ? 
1 1 1  -12    2    6 o  296.405   4.2161  879.417   24.989 7.601501 8.432121 
1 1 1  -12    2    7 o  336.499   4.2682  1133.85   28.718 1.501617 8.536349 
1 1 1  -12    2    8 o  279.207   4.1774  779.466   23.247 -4.140259 8.354852 
1 1 1  -12    2    9 o  267.384   4.1385  716.066   22.102 2.714294 8.277050 
1 1 1  -12    2   10 o  320.178   4.1527  1025.86   26.582 -5.441162 8.305363 
1 1 1  -12    2   11 o  193.880   4.6888  376.277   18.174 -7.267227 9.377625 
1 1 1  -12    2   12 o   55.430   12.537   29.955   16.001 -10.93147 25.07452 
1 1 1  -12    2   13 o  241.908   4.2057  586.202   20.347 2.376862 8.411410 
1 1 1  -12    2   14 f  214.564   4.4056  461.131   18.897 -2.919373 8.811127 
1 1 1  -12    2   15 o  384.748   4.4119  1482.83   33.939 9.771759 8.823728 
1 1 1  -12    2   16 o   83.103   10.063   80.143   16.363 -75.23771 20.12630 
1 1 1  -12    2   17 o  195.385   4.6842  382.276   18.282 -13.71263 9.368464 
1 1 1  -12    2   18 o  146.622   4.9408  221.534   13.373 -10.63853 9.881635 
1 1 1  -12    2   19 o  213.164   3.6977  444.609   14.479 12.55070 7.395493 
1 1 1  -12    2   20 o  187.611   3.8918  350.352   13.545 3.696350 7.783621 
1 1 1  -12    2   21 o  172.380   3.2424  298.062   11.171 -1.950241 6.484870 
1 1 1  -12    2   22 o  187.521   3.0643  352.315   11.485 4.184875 6.128623 
1 1 1  -12    2   23 f  106.577   6.9463  114.666   14.806      ?      ? 
1 1 1  -12    2   24 o  277.371   4.0531  770.103   22.484      ?      ? 
1 1 1  -12    2   25 o   25.538   8.4191 -13.3668   10.647 1.880995 16.83816 
1 1 1  -12    2   26 f   48.944   10.613   24.699   11.184 -6.223156 21.22607 
1 1 1  -12    2   27 o   85.776   6.0585   75.845   10.344 -0.6987457 12.11694 
1 1 1  -12    2   28 o   69.448   10.603   49.045   14.727      ?      ? 
1 1 1  -12    2   29 o  107.718   4.8626  118.025   10.440 -5.541374 9.725233 
1 1 1  -12    2   30 o  120.427   6.7604  146.347   16.283      ?      ? 
1 1 1  -12    2   31 o   25.312   8.3995 -14.3573   10.748 1.506342 16.79901 
1 1 1  -12    2   32 o   36.767   10.174   8.7517   10.938 7.931980 20.34720 
1 1 1  -12    2   33 o   40.739   10.338   15.896   10.833 -4.364887 20.67601 
1 1 1  -12    2   34 o   57.189   9.5963   35.341   11.018 19.63315 19.19254 
1 1 1  -12    2   35 o   49.106   10.132   26.269   10.564 -2.130249 20.26353 
1 1 1  -12    3    4 o  548.144   7.9239  3009.38   86.869      ?      ? 
1 1 1  -12    3    5 o  578.529   8.3170  3353.50   96.232      ?      ? 
1 1 1  -12    3    6 o  553.585   5.6965  3070.61   63.065 7.628418 11.39300 
1 1 1  -12    3    7 o  486.864   5.1777  2374.13   50.399 -4.558411 10.35532 
1 1 1  -12    3    8 o  723.006   7.1787  5244.23  103.801 6.661194 14.35746 
1 1 1  -12    3    9 o  225.879   4.4557  509.123   20.036 -7.590210 8.911411 
1 1 1  -12    3   10 o  268.103   4.1079  719.731   22.025 2.421265 8.215835 
1 1 1  -12    3   11 o  369.378   4.3235  1366.51   31.940 2.479462 8.647030 
1 1 1  -12    3   12 o  156.400   5.3751  245.210   16.783 -12.56805 10.75010 
1 1 1  -12    3   13 o  169.323   4.9880  287.101   16.834 19.18405 9.975998 
1 1 1  -12    3   14 o  234.377   4.1112  550.289   19.270 1.752792 8.222341 
1 1 1  -12    3   15 o  250.359   4.0582  627.519   20.302 4.595123 8.116315 
1 1 1  -12    3   16 f   40.197   11.783   4.0665   15.643 -3.995258 23.56543 
1 1 1  -12    3   17 o  357.670   4.2710  1282.35   30.550 1.370819 8.541928 
1 1 1  -12    3   18 o   64.865   17.583   44.757   23.381      ?      ? 
1 1 1  -12    3   19 o  373.578   3.7602  1372.13   25.777 17.63419 7.520383 
1 1 1  -12    3   20 o  352.898   3.6438  1235.17   23.845 9.970703 7.287667 
1 1 1  -12    3   21 o  257.021   2.7559  660.261   14.141 10.53416 5.511714 
1 1 1  -12    3   22 o   56.490   8.6892   33.995   9.7574 -15.92160 17.37847 
1 1 1  -12    3   23 o   34.260   13.914   5.6049   14.947      ?      ? 
1 1 1  -12    3   25 o  291.024   2.8119  850.269   16.366 -2.284698 5.623735 
1 1 1  -12    3   26 o  204.713   2.9238  420.364   11.958 1.998108 5.847570 
1 1 1  -12    3   27 o  105.723   4.8359  113.300   10.203 -1.137405 9.671760 
1 1 1  -12    3   28 o   81.867   6.1386   67.903   10.018 9.211578 12.27722 
1 1 1  -12    3   29 o   49.461   9.7461   26.562   10.082 8.146965 19.49217 
1 1 1  -12    3   30 o  155.303   5.2548  242.501   16.322      ?      ? 
1 1 1  -12    3   31 o  120.388   4.6357  147.410   11.101 -12.58894 9.271356 
1 1 1  -12    3   32 o  122.029   4.6158  151.744   11.188 -14.29803 9.231573 
1 1 1  -12    3   33 f   47.223   9.8011   23.760   10.719 -20.13792 19.60229 
1 1 1  -12    3   34 o   36.455   10.161   8.8933   10.934 3.360718 20.32124 
1 1 1  -12    3   35 o   40.573   9.6882   14.505   10.537 -18.77589 19.37642 
1 1 1  -12    4    4 o  359.655   6.1017  1294.85   43.890      ?      ? 
1 1 1  -12    4    5 o  200.853   6.7650  404.005   27.175      ?      ? 
1 1 1  -12    4    6 o  486.199   5.1480  2367.81   50.046 -3.696686 10.29592 
1 1 1  -12    4    7 o  292.460   4.2396  854.135   24.724 -9.235077 8.479117 
1 1 1  -12    4    8 o  418.771   4.6433  1754.95   38.859 -6.296265 9.286648 
1 1 1  -12    4    9 o  427.333   4.6809  1828.89   40.004 1.859253 9.361731 
1 1 1  -12    4   10 o  225.709   4.3317  510.015   19.550 -6.722214 8.663465 
1 1 1  -12    4   11 o  484.804   5.0767  2355.40   49.224 1.443604 10.15343 
1 1 1  -12    4   12 o  436.049   4.7234  1904.96   41.187 -3.737244 9.446727 
1 1 1  -12    4   13 o  215.870   4.2843  466.773   18.495 -4.189758 8.568506 
1 1 1  -12    4   14 o  320.786   4.0487  1030.83   25.974 2.528809 8.097474 
1 1 1  -12    4   15 o  162.717   5.0831  265.970   16.511 -4.474182 10.16611 
1 1 1  -12    4   16 o   27.816   9.4733 -33.2740   15.550 2.173725 18.94650 
1 1 1  -12    4   17 o  387.869   4.4146  1508.60   34.240 0.8007813 8.829205 
1 1 1  -12    4   18 o  361.327   3.7223  1305.22   24.999 2.585968 7.444503 
1 1 1  -12    4   19 o  150.426   4.6002  226.907   12.574 0.2000427 9.200363 
1 1 1  -12    4   20 o  104.307   6.5038  118.354   11.763 -18.17637 13.00760 
1 1 1  -12    4   21 o  150.501   4.5304  227.289   12.131 0.3631744 9.060721 
1 1 1  -12    4   22 o   58.137   8.4580   35.847   9.5008 -5.769211 16.91595 
1 1 1  -12    4   23 o  129.786   4.2035  169.541   10.905 1.914352 8.406985 
1 1 1  -12    4   25 o  102.387   4.9907  106.020   10.208 -5.114090 9.981406 
1 1 1  -12    4   26 o   67.882   7.1557   47.250   9.6680 -4.212036 14.31136 
1 1 1  -12    4   27 o   19.187   6.7431 -34.0449   9.8863 2.729189 13.48612 
1 1 1  -12    4   28 o   89.200   5.6982   81.107   10.116 -2.860672 11.39639 
1 1 1  -12    4   29 o  186.180   3.1691  349.183   11.780 -4.433975 6.338241 
1 1 1  -12    4   30 o   99.034   7.4881   99.223   14.832      ?      ? 
1 1 1  -12    4   31 o   84.514   6.3410   72.937   10.714 3.062279 12.68205 
1 1 1  -12    4   32 o   94.545   5.6844   91.319   10.727 -4.984489 11.36878 
1 1 1  -12    4   33 o   88.343   6.1226   80.005   10.812 -3.617432 12.24520 
1 1 1  -12    4   34 o  117.161   4.8185  139.148   11.281 2.384514 9.636937 
1 1 1  -12    4   35 o  115.274   6.2990  136.563   12.886 -0.8080368 12.59809 
1 1 1  -12    5    4 o  297.069   5.8623  883.474   34.830      ?      ? 
1 1 1  -12    5    5 o  461.270   6.9628  2131.27   64.235      ?      ? 
1 1 1  -12    5    6 o  393.346   4.5160  1548.51   35.508 -6.132751 9.032032 
1 1 1  -12    5    7 o  439.249   4.7762  1930.91   41.929 -7.193024 9.552406 
1 1 1  -12    5    8 o  230.894   4.4268  512.009   20.020 -56.12492 8.853668 
1 1 1  -12    5    9 o  202.938   4.6344  411.090   18.747 -7.863983 9.268718 
1 1 1  -12    5   10 o   85.200   10.064   76.681   16.183 29.18835 20.12844 
1 1 1  -12    5   11 o  466.026   4.9286  2176.24   45.936 3.514740 9.857284 
1 1 1  -12    5   12 o  236.206   4.1458  558.125   19.573 -10.41751 8.291693 
1 1 1  -12    5   13 o  287.668   3.9796  828.869   22.896 -2.652557 7.959288 
1 1 1  -12    5   14 o  368.935   4.2596  1363.80   31.428 -4.832489 8.519197 
1 1 1  -12    5   15 o   86.320   9.3317   77.088   15.566 -12.02528 18.66331 
1 1 1  -12    5   16 o  226.785   4.1666  515.341   18.877 0.7139130 8.333189 
1 1 1  -12    5   17 o  269.394   3.5143  722.094   17.496 4.693573 7.028523 
1 1 1  -12    5   18 o   75.852   9.3552   63.441   12.093 -12.77138 18.71031 
1 1 1  -12    5   19 f  243.455   3.4653  596.882   15.543 -3.166595 6.930615 
1 1 1  -12    5   20 o   82.083   7.6518   65.291   11.434 8.192596 15.30353 
1 1 1  -12    5   21 o   85.588   7.6278   75.654   11.387 -3.514435 15.25558 
1 1 1  -12    5   22 o  147.226   4.6230  216.814   12.172 1.633682 9.245915 
1 1 1  -12    5   23 o   74.757   9.9234   56.616   14.837      ?      ? 
1 1 1  -12    5   24 o   22.625   7.7457 -24.9620   10.734 -2.724520 15.49149 
1 1 1  -12    5   25 o   57.420   8.7729   35.215   9.7949 -6.003468 17.54582 
1 1 1  -12    5   26 o  120.686   4.1900  146.083   10.074 6.512085 8.380079 
1 1 1  -12    5   27 o  140.191   4.5220  199.392   12.450 8.669220 9.044053 
1 1 1  -12    5   28 o   48.388   9.5052   25.952   10.048 -16.47654 19.01043 
1 1 1  -12    5   29 o   39.563   9.8037   12.260   10.371 17.59354 19.60744 
1 1 1  -12    5   30 o   89.043   6.0577   81.463   10.690 -9.489822 12.11539 
1 1 1  -12    5   31 o   57.946   9.2351   36.232   10.463 9.453522 18.47018 
1 1 1  -12    5   32 o   38.361   10.145   12.351   10.620 -5.222919 20.28902 
1 1 1  -12    5   33 o  171.726   3.4983  296.939   12.007 3.375946 6.996624 
1 1 1  -12    5   34 o   62.921   8.9580   42.615   10.887 4.368374 17.91606 
1 1 1  -12    5   35 o  126.220   6.1173  164.583   15.156 8.093880 12.23456 
1 1 1  -12    6    3 o  347.767   6.0097  1210.91   41.799      ?      ? 
1 1 1  -12    6    4 o  344.142   6.0557  1185.84   41.681      ?      ? 
1 1 1  -12    6    5 o  619.382   8.8139  3846.33  109.183      ?      ? 
1 1 1  -12    6    6 o  479.862   7.1943  2306.46   69.046      ?      ? 
1 1 1  -12    6    7 o  403.673   4.5723  1631.13   36.895 -4.179382 9.144630 
1 1 1  -12    6    8 o  721.890   7.1646  5229.60  103.430 -4.127441 14.32913 
1 1 1  -12    6    9 o  399.331   4.5480  1596.27   36.276 -4.464783 9.096065 
1 1 1  -12    6   10 o  293.444   4.0631  862.445   23.841 3.865540 8.126188 
1 1 1  -12    6   11 o  136.849   5.9554  187.918   16.286 0.7312622 11.91074 
1 1 1  -12    6   12 o   55.620   12.111   30.882   15.309 14.53652 24.22122 
1 1 1  -12    6   13 o   83.437   9.4842   72.549   15.117 -20.31267 18.96836 
1 1 1  -12    6   14 o  116.145   6.7189  135.725   15.588 -1.950378 13.43785 
1 1 1  -12    6   15 o   60.235   11.376   38.063   15.304 -28.95162 22.75250 
1 1 1  -12    6   16 o  181.656   4.6400  330.044   16.832 8.679092 9.280035 
1 1 1  -12    6   17 o  161.764   4.4285  271.404   12.831 -12.90971 8.857086 
1 1 1  -12    6   18 o  112.780   5.9877  135.202   11.866 -14.35000 11.97548 
1 1 1  -12    6   19 f  108.625   5.8021  114.173   11.486 9.856804 11.60420 
1 1 1  -12    6   20 o   49.395   11.089   23.084   11.203 9.024891 22.17748 
1 1 1  -12    6   21 o  162.612   4.2495  259.764   12.361 7.847717 8.498981 
1 1 1  -12    6   22 o   30.894   9.2870  -5.1607   11.696 -11.25823 18.57407 
1 1 1  -12    6   24 o   36.236   9.7875   8.7077   10.329 -9.562489 19.57490 
1 1 1  -12    6   25 o   75.286   6.4040   57.935   9.5872 -7.333000 12.80809 
1 1 1  -12    6   26 o  197.950   2.9685  394.694   11.725 -3.019867 5.936915 
1 1 1  -12    6   28 o   51.034   14.246   28.375   15.089      ?      ? 
1 1 1  -12    6   29 o   45.504   10.159   21.736   10.414 -4.825039 20.31794 
1 1 1  -12    6   30 f   41.609   10.019   16.900   10.489 -12.18861 20.03887 
1 1 1  -12    6   31 o   73.618   7.2262   55.759   10.623 5.258003 14.45235 
1 1 1  -12    6   32 o   49.338   10.079   26.775   10.595 -7.009880 20.15761 
1 1 1  -12    6   33 o   77.596   7.1716   63.137   10.928 -13.76849 14.34312 
1 1 1  -12    6   34 o  102.535   5.3534  106.647   10.945 10.62668 10.70679 
1 1 1  -12    7    3 o  587.214   8.3946  3456.40   98.589      ?      ? 
1 1 1  -12    7    4 o  250.375   5.9748  627.601   29.919      ?      ? 
1 1 1  -12    7    5 f  213.062   6.2638  454.516   26.691      ?      ? 
1 1 1  -12    7    6 f  270.220   5.7545  730.972   31.100      ?      ? 
1 1 1  -12    7    7 o  243.872   4.3108  595.731   20.979 1.378937 8.621666 
1 1 1  -12    7    8 o  125.924   6.8753  158.322   17.199 -20.60916 13.75055 
1 1 1  -12    7    9 o  434.869   4.7166  1894.54   41.022 3.762054 9.433293 
1 1 1  -12    7   10 o  214.832   4.3194  462.273   18.554 -0.3868561 8.638788 
1 1 1  -12    7   11 o  334.805   4.1006  1122.75   27.456 -0.1857300 8.201221 
1 1 1  -12    7   12 o  144.496   5.5250  209.436   15.965 -2.632538 11.05003 
1 1 1  -12    7   13 o  176.548   4.7355  312.562   16.718 -2.859985 9.470946 
1 1 1  -12    7   14 o  171.576   4.8490  295.173   16.624 0.7934113 9.698079 
1 1 1  -12    7   15 o  142.805   5.6148  205.318   15.989 -8.533997 11.22955 
1 1 1  -12    7   16 f  311.234   4.0236  971.149   25.038 -1.153168 8.047270 
1 1 1  -12    7   17 o  108.767   6.0178  118.416   11.796 1.242058 12.03567 
1 1 1  -12    7   18 o  148.574   4.5537  225.777   12.149 -6.738785 9.107438 
1 1 1  -12    7   19 o  256.387   3.4188  658.546   16.017 0.2501526 6.837621 
1 1 1  -12    7   20 o   41.301   10.825   14.405   11.172 0.5032272 21.65008 
1 1 1  -12    7   21 o  244.892   3.4868  595.888   15.438 5.288437 6.973696 
1 1 1  -12    7   22 o   31.145   14.591 -20.6964   22.802      ?      ? 
1 1 1  -12    7   23 o  297.769   3.5931  775.044   18.618 75.69434 7.186242 
1 1 1  -12    7   24 o   48.628   9.3652   24.506   9.9690 21.78632 18.73034 
1 1 1  -12    7   25 o   28.649   8.8444  -2.0050   9.5416 0.6794052 17.68872 
1 1 1  -12    7   26 o  157.194   5.0084  249.637   15.746      ?      ? 
1 1 1  -12    7   27 o   81.290   8.5813   66.760   13.952      ?      ? 
1 1 1  -12    7   28 o  154.917   3.5621  241.353   11.023 5.255157 7.124115 
1 1 1  -12    7   29 o  114.276   4.7757  132.062   10.894 -6.666298 9.551330 
1 1 1  -12    7   30 o  125.823   4.3864  160.939   11.001 -8.682724 8.772835 
1 1 1  -12    7   31 o   89.610   5.9433   82.016   10.613 0.5711899 11.88670 
1 1 1  -12    7   32 f   39.146   10.190   13.534   10.777 -7.117798 20.38025 
1 1 1  -12    7   33 o   83.174   6.7191   71.177   11.174 1.795212 13.43826 
1 1 1  -12    7   34 o  111.746   4.9086  126.337   10.947 1.726387 9.817129 
1 1 1  -12    8    2 o  355.841   5.9519  1267.65   42.359      ?      ? 
1 1 1  -12    8    3 o  246.369   5.8434  607.631   28.793      ?      ? 
1 1 1  -12    8    4 o  238.445   5.8147  569.172   27.730      ?      ? 
1 1 1  -12    8    5 o  344.416   5.8961  1187.61   40.614      ?      ? 
1 1 1  -12    8    6 o  239.423   5.6839  573.904   27.217      ?      ? 
1 1 1  -12    8    7 o  148.907   5.6354  222.561   16.702 2.008224 11.27078 
1 1 1  -12    8    8 o  271.051   4.0719  735.828   22.047 0.9863281 8.143869 
1 1 1  -12    8    9 o  240.999   4.1010  581.936   19.757 7.484085 8.202044 
1 1 1  -12    8   10 o  327.819   4.0892  1076.27   26.808 5.510834 8.178304 
1 1 1  -12    8   11 f  456.229   4.8424  2085.49   44.169 8.179138 9.684746 
1 1 1  -12    8   12 o  395.875   4.4399  1570.13   35.144 5.981201 8.879825 
1 1 1  -12    8   13 o  192.684   4.4682  372.398   17.206 -3.574265 8.936500 
1 1 1  -12    8   14 o  167.501   4.8884  280.573   16.352 11.25912 9.776840 
1 1 1  -12    8   15 o  133.304   5.9927  181.468   15.585 -34.22263 11.98542 
1 1 1  -12    8   16 o   52.592   12.240   27.075   14.905 5.902687 24.48001 
1 1 1  -12    8   17 o  156.627   4.3572  245.577   12.386 0.7490997 8.714316 
1 1 1  -12    8   18 o  327.651   3.5093  1050.31   20.963 18.61002 7.018581 
1 1 1  -12    8   19 o   67.648   9.7194   57.259   11.309 -28.43639 19.43881 
1 1 1  -12    8   20 o  248.940   3.4687  605.002   15.509 14.79807 6.937402 
1 1 1  -12    8   21 o  244.540   3.4956  589.820   15.465 9.527634 6.991158 
1 1 1  -12    8   22 o  164.661   4.8960  271.951   16.124      ?      ? 
1 1 1  -12    8   23 o  178.274   4.2296  320.081   13.957 -1.959518 8.459121 
1 1 1  -12    8   24 o  124.095   5.3721  155.025   11.866 0.5771408 10.74411 
1 1 1  -12    8   25 o   85.935   5.9681   75.052   10.198 -1.105034 11.93628 
1 1 1  -12    8   26 o  162.246   3.5896  264.499   11.631 -6.392166 7.179178 
1 1 1  -12    8   27 o   82.059   6.5675   69.035   10.753 -3.935036 13.13494 
1 1 1  -12    8   28 o  134.269   4.0498  181.599   10.859 9.651123 8.099686 
1 1 1  -12    8   29 o  127.775   5.9972  164.456   15.326      ?      ? 
1 1 1  -12    8   30 o   40.727   10.169   15.664   10.469 -5.698395 20.33821 
1 1 1  -12    8   31 o   89.928   5.9332   82.599   10.632 -0.1984482 11.86633 
1 1 1  -12    8   32 o   95.971   5.7782   94.215   11.060 0.2147598 11.55638 
1 1 1  -12    8   33 o   65.346   8.8391   46.020   11.130 2.008156 17.67815 
1 1 1  -12    8   34 o   38.955   9.8410   11.046   10.728 -18.00444 19.68201 
1 1 1  -12    9    2 o  651.344   9.1992  4254.38  119.837      ?      ? 
1 1 1  -12    9    3 o  346.111   5.9455  1199.38   41.156      ?      ? 
1 1 1  -12    9    4 o  287.497   5.7037  827.517   32.796      ?      ? 
1 1 1  -12    9    5 o  114.936   9.4792  132.556   21.790      ?      ? 
1 1 1  -12    9    6 o  216.590   5.8771  469.768   25.458      ?      ? 
1 1 1  -12    9    7 o  573.445   5.8053  3297.68   66.579 4.394775 11.61060 
1 1 1  -12    9    8 o  517.889   5.3282  2688.50   55.184 6.632568 10.65632 
1 1 1  -12    9    9 o  257.255   4.0596  660.682   20.836 -11.42494 8.119231 
1 1 1  -12    9   10 f  349.159   4.1526  1221.28   28.997 4.978668 8.305247 
1 1 1  -12    9   11 o  115.758   6.6282  134.556   15.316 9.834732 13.25634 
1 1 1  -12    9   12 o  192.156   4.4999  370.810   17.262 -8.767441 8.999848 
1 1 1  -12    9   13 o  401.520   4.4447  1615.65   35.682 4.211395 8.889383 
1 1 1  -12    9   14 o  210.909   4.2698  447.138   17.951 -18.08221 8.539683 
1 1 1  -12    9   15 o  215.690   4.1393  465.844   17.818 4.587357 8.278540 
1 1 1  -12    9   16 o  217.280   4.1144  473.448   17.811 1.359741 8.228790 
1 1 1  -12    9   17 o  114.575   5.9934  145.105   11.684 -23.78322 11.98675 
1 1 1  -12    9   18 o  221.598   3.5585  490.122   14.301 2.242538 7.117081 
1 1 1  -12    9   19 o  136.346   5.0572  193.600   11.982 -10.18877 10.11441 
1 1 1  -12    9   20 o  296.942   3.4699  870.756   18.637 10.55511 6.939890 
1 1 1  -12    9   21 o   69.968   9.6815   69.179   11.977 -46.37140 19.36307 
1 1 1  -12    9   22 o  235.881   6.0857  557.655   28.710      ?      ? 
1 1 1  -12    9   23 o   81.168   9.2021   79.923   12.106 -27.91666 18.40423 
1 1 1  -12    9   24 f  234.176   3.5813  539.049   14.970 10.90512 7.162697 
1 1 1  -12    9   25 o   79.234   9.2011   70.752   12.118 -11.23411 18.40223 
1 1 1  -12    9   26 o  133.644   5.5784  186.007   13.422 -11.75388 11.15679 
1 1 1  -12    9   27 o   29.160   12.884  -3.3984   14.762      ?      ? 
1 1 1  -12    9   28 o   50.663   9.8807   28.045   10.445 -8.074810 19.76137 
1 1 1  -12    9   29 o   29.261   8.6889  -8.4189   10.459 -17.04394 17.37781 
1 1 1  -12    9   30 o   47.075   9.6005   23.645   10.298 -19.27603 19.20096 
1 1 1  -12    9   31 o   35.450   9.8485   6.6284   10.579 11.47685 19.69699 
1 1 1  -12    9   32 o   44.905   10.153   20.704   10.823 -13.92181 20.30543 
1 1 1  -12    9   33 o   55.835   9.7793   33.965   10.877 1.754272 19.55852 
1 1 1  -12    9   34 o   64.168   8.4089   45.196   10.341 -3.156876 16.81780 
1 1 1  -12   10    1 o  334.912   5.8428  1123.10   39.136      ?      ? 
1 1 1  -12   10    2 o  288.791   5.7944  835.073   33.467      ?      ? 
1 1 1  -12   10    3 o  240.894   5.8335  581.074   28.105      ?      ? 
1 1 1  -12   10    4 o  293.898   5.6063  864.864   32.953      ?      ? 
1 1 1  -12   10    5 o  289.246   5.5094  837.701   31.872      ?      ? 
1 1 1  -12   10    6 o  181.529   6.3529  330.110   23.065      ?      ? 
1 1 1  -12   10    7 o  378.921   4.2890  1438.27   32.503 3.021759 8.577982 
1 1 1  -12   10    8 o  280.520   3.9774  788.488   22.304 9.008118 7.954846 
1 1 1  -12   10    9 o  360.680   4.2006  1303.31   30.301 2.688202 8.401264 
1 1 1  -12   10   10 f  393.924   4.3921  1555.03   34.601 -2.267975 8.784182 
1 1 1  -12   10   11 o  211.527   4.1641  448.638   17.596 -2.900497 8.328239 
1 1 1  -12   10   12 o  151.208   5.3654  230.284   16.128 -5.770050 10.73090 
1 1 1  -12   10   13 f  414.584   4.5244  1723.22   37.512 -1.027039 9.048745 
1 1 1  -12   10   14 o  114.521   8.0991  147.479   15.456 -70.58002 16.19825 
1 1 1  -12   10   15 o   42.880   10.897   8.0193   14.470 -25.06617 21.79397 
1 1 1  -12   10   16 o  346.249   3.5406  1197.91   22.840 2.734863 7.081151 
1 1 1  -12   10   17 o  104.813   6.0374  111.697   11.264 -2.428192 12.07484 
1 1 1  -12   10   18 o  244.527   3.4297  602.491   15.221 -3.038956 6.859361 
1 1 1  -12   10   19 o  100.241   6.6440  108.479   11.195 -13.56159 13.28806 
1 1 1  -12   10   20 o   46.160   10.714   22.225   11.114 -6.760338 21.42732 
1 1 1  -12   10   21 o   23.177   11.689 -80.2321   25.298      ?      ? 
1 1 1  -12   10   22 o  109.197   6.7032  110.890   13.286 19.29045 13.40647 
1 1 1  -12   10   23 o   68.802   9.9846   57.320   11.741 -22.37991 19.96927 
1 1 1  -12   10   24 o  128.228   5.4082  161.254   12.062 7.286919 10.81632 
1 1 1  -12   10   25 o   36.643   10.002   6.0980   12.177 -14.80098 20.00346 
1 1 1  -12   10   26 o   70.574   10.141   54.761   12.833 -9.461052 20.28124 
1 1 1  -12   10   27 o   37.081   10.870   6.7812   12.400 1.440975 21.73936 
1 1 1  -12   10   28 o  107.985   7.2856  117.859   15.735      ?      ? 
1 1 1  -12   10   29 o   40.886   10.008   16.109   10.397 -10.64781 20.01615 
1 1 1  -12   10   30 o   32.768   9.4971   3.3120   10.414 -8.386988 18.99419 
1 1 1  -12   10   31 o   30.227   9.3296  -1.2677   10.596 0.6886311 18.65912 
1 1 1  -12   10   32 o   35.625   9.8099   6.8193   10.635 12.49373 19.61987 
1 1 1  -12   10   33 o  114.200   4.9034  132.229   11.111 18.56590 9.806716 
1 1 1  -12   11    1 o  131.828   8.2632  174.284   21.787      ?      ? 
1 1 1  -12   11    2 o  213.894   5.8768  458.179   25.140      ?      ? 
1 1 1  -12   11    3 o  301.780   5.6296  911.961   33.978      ?      ? 
1 1 1  -12   11    4 o  249.402   5.4811  622.839   27.340      ?      ? 
1 1 1  -12   11    5 o  292.465   5.4477  856.519   31.865      ?      ? 
1 1 1  -12   11    6 o  274.694   5.4351  755.631   29.860      ?      ? 
1 1 1  -12   11    7 o  316.901   3.9795  1005.16   25.212 12.52802 7.959046 
1 1 1  -12   11    8 o  174.031   4.5711  303.636   15.903 1.924011 9.142126 
1 1 1  -12   11    9 o  155.745   4.9367  243.133   15.373 5.371994 9.873496 
1 1 1  -12   11   10 o  204.811   4.2248  420.270   17.303 -2.998337 8.449600 
1 1 1  -12   11   11 o  154.399   5.1258  240.833   15.717 -14.86871 10.25167 
1 1 1  -12   11   12 o  109.730   7.0811  123.457   15.135 -28.28622 14.16210 
1 1 1  -12   11   13 o  210.881   4.2097  446.572   17.695 -21.28229 8.419366 
1 1 1  -12   11   14 o  324.120   4.0012  1053.95   25.930 -2.005341 8.002321 
1 1 1  -12   11   15 f  261.439   3.8267  685.411   19.986 0.2077026 7.653447 
1 1 1  -12   11   16 o  232.622   3.3825  543.770   14.409 -1.678864 6.765079 
1 1 1  -12   11   17 o  101.027   6.8227  119.566   11.045 -30.65961 13.64544 
1 1 1  -12   11   18 o  352.368   3.5736  1231.62   23.028 9.604187 7.147160 
1 1 1  -12   11   19 o   36.146   10.098   8.2913   10.581 -3.182648 20.19675 
1 1 1  -12   11   20 o  124.746   5.6398  156.667   14.071      ?      ? 
1 1 1  -12   11   21 o  540.164   7.9706  2928.61   86.109      ?      ? 
1 1 1  -12   11   22 f   43.595   10.870   18.869   12.345 -11.13352 21.74019 
1 1 1  -12   11   23 o   38.141   10.515   10.397   11.530 -5.339165 21.02997 
1 1 1  -12   11   24 o  177.425   4.3762  326.455   13.716 -10.07074 8.752471 
1 1 1  -12   11   25 o  286.901   5.8116  825.641   33.347      ?      ? 
1 1 1  -12   11   26 o   23.329   8.1071 -34.3160   12.824 0.7016964 16.21423 
1 1 1  -12   11   27 o   47.572   11.481   23.143   12.413 -0.2286377 22.96169 
1 1 1  -12   11   28 o   77.591   8.4604   56.190   12.304 21.52931 16.92070 
1 1 1  -12   11   29 o   47.778   9.9065   24.609   10.344 -10.91728 19.81301 
1 1 1  -12   11   30 o  151.452   3.7441  232.276   11.272 -6.724274 7.488113 
1 1 1  -12   11   31 o   98.733   5.4934   99.871   10.757 -3.679283 10.98684 
1 1 1  -12   11   32 o   90.780   5.9707   83.857   10.813 4.711670 11.94138 
1 1 1  -12   11   33 o   70.859   7.5700   52.083   10.702 -5.322342 15.13997 
1 1 1  -12   12    1 o  406.305   6.2416  1653.79   50.720      ?      ? 
1 1 1  -12   12    2 o  317.936   5.5358  1012.27   35.201      ?      ? 
1 1 1  -12   12    3 o  202.661   5.7358  411.358   23.249      ?      ? 
1 1 1  -12   12    4 o  237.777   5.4087  566.192   25.721      ?      ? 
1 1 1  -12   12    5 o  173.667   6.2854  302.214   21.831      ?      ? 
1 1 1  -12   12    6 f  205.788   5.6612  424.219   23.300      ?      ? 
1 1 1  -12   12    7 o  395.910   4.3610  1570.74   34.528 7.038391 8.721970 
1 1 1  -12   12    8 o  175.508   4.4934  308.481   15.765 -6.496506 8.986736 
1 1 1  -12   12    9 o  200.489   4.1759  402.828   16.743 0.4299011 8.351881 
1 1 1  -12   12   10 o  407.565   4.4562  1664.97   36.321 -3.063843 8.912398 
1 1 1  -12   12   11 o  272.958   3.8419  745.256   20.935 6.817566 7.683809 
1 1 1  -12   12   12 o  267.435   3.8318  716.162   20.462 4.057587 7.663526 
1 1 1  -12   12   13 o   49.093   11.396   23.022   13.859 -16.19900 22.79194 
1 1 1  -12   12   14 o  343.709   3.9968  1177.92   27.325 18.70346 7.993535 
1 1 1  -12   12   15 o  298.883   3.8271  893.942   22.803 7.901306 7.654128 
1 1 1  -12   12   16 o  163.361   4.0101  267.719   11.601 -0.8477783E-01 8.020295 
1 1 1  -12   12   17 o   77.273   8.6981   70.425   10.426 -21.22652 17.39623 
1 1 1  -12   12   18 o  150.012   4.3220  220.818   11.123 6.587891 8.643917 
1 1 1  -12   12   19 o   25.822   8.5744 -13.8633   10.783 0.1412983 17.14878 
1 1 1  -12   12   20 o  266.519   6.0008  712.333   31.986      ?      ? 
1 1 1  -12   12   21 o   94.841   13.068   92.113   24.788      ?      ? 
1 1 1  -12   12   22 o  177.380   4.0853  311.309   12.690 5.644897 8.170524 
1 1 1  -12   12   23 o  109.379   6.9475  130.485   12.245 -14.72050 13.89500 
1 1 1  -12   12   24 o  185.306   4.4184  353.392   14.831 -10.53186 8.836736 
1 1 1  -12   12   25 f   60.537   10.506   31.491   13.177 41.74858 21.01270 
1 1 1  -12   12   26 o   42.298   11.344   15.107   12.298 3.793015 22.68742 
1 1 1  -12   12   27 o   57.246   10.755   37.952   12.147 -12.94532 21.50912 
1 1 1  -12   12   28 o  144.719   4.7995  217.786   12.565 -9.189728 9.599056 
1 1 1  -12   12   29 o  161.382   4.3389  264.570   12.643 -2.348984 8.677804 
1 1 1  -12   12   30 o   65.392   9.9562   51.183   11.734 -18.98174 19.91235 
1 1 1  -12   12   31 o  134.613   4.1325  181.243   11.065 18.28586 8.265019 
1 1 1  -12   12   32 o  116.631   4.7132  138.536   10.912 -9.948395 9.426441 
1 1 1  -12   12   33 o   92.041   5.5782   89.662   10.252 -6.860443 11.15650 
1 1 1  -12   13    1 o  403.268   6.2018  1629.51   50.019      ?      ? 
1 1 1  -12   13    2 f  271.937   5.4445  740.656   29.611      ?      ? 
1 1 1  -12   13    3 o  251.862   5.3698  635.333   27.049      ?      ? 
1 1 1  -12   13    4 o  212.197   5.6022  451.062   23.775      ?      ? 
1 1 1  -12   13    5 o  135.669   7.4117  184.642   20.111      ?      ? 
1 1 1  -12   13    6 o  205.048   5.5919  421.228   22.932      ?      ? 
1 1 1  -12   13    7 o  247.629   3.7906  613.997   18.769 5.660797 7.581173 
1 1 1  -12   13    8 f  293.697   3.8168  863.864   22.412 3.165131 7.633692 
1 1 1  -12   13    9 o  272.458   3.8343  743.766   20.891 -4.029358 7.668617 
1 1 1  -12   13   10 o  127.883   5.7240  162.374   14.509 24.05603 11.44797 
1 1 1  -12   13   11 o  132.757   5.2969  176.456   14.026 5.688889 10.59387 
1 1 1  -12   13   12 o  258.643   3.7390  668.813   19.279 9.098389 7.477960 
1 1 1  -12   13   13 o   54.843   10.759   32.373   13.004 -20.38033 21.51882 
1 1 1  -12   13   14 f  182.533   4.1455  337.163   14.951 -11.75702 8.291043 
1 1 1  -12   13   15 o  258.078   3.7469  665.878   19.211 7.411438 7.493846 
1 1 1  -12   13   16 o  106.121   6.1810  128.244   10.508 -24.94588 12.36202 
1 1 1  -12   13   17 o  192.004   3.6016  359.326   12.065 10.93817 7.203272 
1 1 1  -12   13   18 o  199.819   3.6178  394.700   12.587 5.967911 7.235601 
1 1 1  -12   13   20 o  161.591   7.8619  262.365   25.408      ?      ? 
1 1 1  -12   13   21 o  109.583   6.2122  126.933   11.581 -9.516449 12.42430 
1 1 1  -12   13   22 f   90.504   8.0785   95.064   11.133 -21.47031 16.15695 
1 1 1  -12   13   23 o   50.225   8.4069   32.011   12.186 -43.99525 16.81374 
1 1 1  -12   13   24 o  115.898   10.093  135.676   23.394      ?      ? 
1 1 1  -12   13   25 o  107.102   7.0500  129.559   12.949 -25.32790 14.09998 
1 1 1  -12   13   26 f  186.667   4.1309  348.224   13.831 3.444275 8.261785 
1 1 1  -12   13   27 o   26.332   8.9317 -21.7341   11.690 10.79659 17.86346 
1 1 1  -12   13   28 o  154.014   4.4523  237.396   12.481 3.002838 8.904520 
1 1 1  -12   13   29 o   77.584   8.5074   64.397   11.434 -4.806664 17.01483 
1 1 1  -12   13   30 o   31.110   9.8374  -4.2920   11.476 8.131075 19.67477 
1 1 1  -12   13   31 o  106.466   6.1704  117.546   12.273 -4.912628 12.34074 
1 1 1  -12   13   32 o   84.036   6.4193   73.572   10.411 -26.76288 12.83864 
1 1 1  -12   14    1 o  109.860   6.9196  124.740   14.782 21.08090 13.83928 
1 1 1  -12   14    2 o  135.740   7.2997  184.834   19.817      ?      ? 
1 1 1  -12   14    3 o  196.832   5.6449  388.167   22.222      ?      ? 
1 1 1  -12   14    4 o  132.884   7.5197  177.189   19.985      ?      ? 
1 1 1  -12   14    5 o  239.894   5.3574  576.507   25.704      ?      ? 
1 1 1  -12   14    6 f  174.289   6.1980  304.482   21.605      ?      ? 
1 1 1  -12   14    7 o  240.831   3.7767  580.654   18.181 4.207794 7.553483 
1 1 1  -12   14    8 o  298.182   3.8067  890.918   22.695 -2.169525 7.613364 
1 1 1  -12   14    9 o  186.285   4.2467  348.822   15.777 -8.233978 8.493368 
1 1 1  -12   14   10 o  154.680   4.6385  241.162   14.284 -15.29362 9.277100 
1 1 1  -12   14   11 o  221.096   3.7471  491.342   16.526 -9.107315 7.494129 
1 1 1  -12   14   12 o  130.420   5.2575  174.626   13.390 -17.06281 10.51497 
1 1 1  -12   14   13 o  323.932   3.8370  1050.81   24.785 6.555878 7.673945 
1 1 1  -12   14   14 o  150.962   4.6485  228.633   13.801 1.360596 9.296967 
1 1 1  -12   14   15 o   62.526   10.250   43.755   12.892 -21.37799 20.50052 
1 1 1  -12   14   16 o  229.882   3.3175  511.000   13.392 16.79549 6.635006 
1 1 1  -12   14   17 o  168.063   3.9598  289.408   11.476 -6.996002 7.919676 
1 1 1  -12   14   18 o  108.414   8.1599  165.548   11.738 -72.05264 16.31978 
1 1 1  -12   14   19 o  406.433   6.4022  1656.12   52.041      ?      ? 
1 1 1  -12   14   20 o   63.326   9.4879   55.002   11.360 -39.06537 18.97582 
1 1 1  -12   14   21 o   79.993   8.4972   74.633   10.595 -19.87518 16.99443 
1 1 1  -12   14   22 o  126.192   5.2752  168.097   11.400 -10.69775 10.55032 
1 1 1  -12   14   23 o  137.902   7.8629  191.316   21.686      ?      ? 
1 1 1  -12   14   25 o   54.099   9.8734   35.563   11.903 -26.66847 19.74682 
1 1 1  -12   14   26 o   88.747   7.2750   74.784   12.004 15.92831 14.54998 
1 1 1  -12   14   27 o   65.644   9.7271   57.413   11.842 -36.42124 19.45429 
1 1 1  -12   14   28 o  164.796   4.4118  278.115   13.042 -5.375641 8.823656 
1 1 1  -12   14   29 o   46.797   11.213   21.893   11.622 5.706470 22.42678 
1 1 1  -12   14   30 o  144.825   4.7557  217.039   12.700 -8.837067 9.511422 
1 1 1  -12   14   31 o  141.468   4.8256  201.801   12.877 0.9413757 9.651246 
1 1 1  -12   14   32 o   44.125   10.171   21.513   10.237 9.805641 20.34109 
1 1 1  -12   15    1 o  211.892   4.1280  452.975   17.271 40.79623 8.256091 
1 1 1  -12   15    2 o  427.560   6.3951  1832.66   54.685      ?      ? 
1 1 1  -12   15    3 o  267.502   5.2629  716.786   28.157      ?      ? 
1 1 1  -12   15    4 o  214.214   5.4400  459.708   23.306      ?      ? 
1 1 1  -12   15    5 o  245.863   5.2885  605.542   26.005      ?      ? 
1 1 1  -12   15    6 o  193.289   5.7596  374.434   22.266      ?      ? 
1 1 1  -12   15    7 o  195.724   3.9608  382.571   15.470 10.59221 7.921637 
1 1 1  -12   15    8 o  208.954   3.8861  438.170   16.182 -2.293716 7.772251 
1 1 1  -12   15    9 o   38.956   10.801   8.7151   12.559 -6.565960 21.60225 
1 1 1  -12   15   10 o   30.727   9.7075  -7.5103   12.343 -2.841089 19.41509 
1 1 1  -12   15   11 o  162.278   4.2682  266.689   13.647 -9.928925 8.536397 
1 1 1  -12   15   12 o  244.838   3.6018  599.318   17.539 6.742874 7.203671 
1 1 1  -12   15   13 o  168.253   4.1934  285.076   13.955 -3.399033 8.386813 
1 1 1  -12   15   14 o  352.389   3.9953  1243.18   28.048 12.58508 7.990622 
1 1 1  -12   15   15 o  155.946   4.5169  243.397   13.828 3.900635 9.033886 
1 1 1  -12   15   16 o   96.198   6.3957  100.704   10.218 -14.20610 12.79139 
1 1 1  -12   15   18 o  256.135   3.3860  600.365   15.545 48.36269 6.771921 
1 1 1  -12   15   19 o  289.917   3.4652  863.962   18.763 -18.61548 6.930487 
1 1 1  -12   15   20 o   89.580   6.8575   80.203   10.635 2.607712 13.71506 
1 1 1  -12   15   21 o   97.536   6.4748   98.654   10.694 -4.245537 12.94957 
1 1 1  -12   15   22 o  192.429   3.9473  397.559   13.675 -34.58090 7.894596 
1 1 1  -12   15   23 o  139.140   7.5817  195.780   21.098      ?      ? 
1 1 1  -12   15   24 o   45.027   9.6037   22.667   10.916 -22.04321 19.20743 
1 1 1  -12   15   25 o  147.240   4.7139  219.904   12.429 -2.066559 9.427753 
1 1 1  -12   15   26 o  114.817   5.7040  132.889   11.965 2.960785 11.40806 
1 1 1  -12   15   27 f   46.681   11.144   21.957   11.550 2.686630 22.28720 
1 1 1  -12   15   28 o   48.069   11.202   22.331   11.502 10.62032 22.40386 
1 1 1  -12   15   29 o  121.805   5.5260  148.550   12.048 4.067467 11.05191 
1 1 1  -12   15   30 o   56.599   10.844   35.390   11.905 -1.775410 21.68782 
1 1 1  -12   15   31 o  100.440   6.4100  104.622   12.063 -4.723206 12.82005 
1 1 1  -12   16    1 o  266.104   3.8627  699.833   20.388 -27.84503 7.725332 
1 1 1  -12   16    2 o  248.188   3.8998  611.781   19.254 -20.83696 7.799543 
1 1 1  -12   16    3 o  330.039   5.5468  1091.66   36.613      ?      ? 
1 1 1  -12   16    4 o  286.994   5.2437  825.406   30.098      ?      ? 
1 1 1  -12   16    5 o  286.912   5.2436  825.120   30.089      ?      ? 
1 1 1  -12   16    6 o  193.756   5.6480  376.552   21.887      ?      ? 
1 1 1  -12   16    7 o  286.802   3.6742  823.431   21.040 7.739136 7.348359 
1 1 1  -12   16    8 o  198.197   3.7668  394.552   14.900 -6.170547 7.533586 
1 1 1  -12   16    9 o  263.522   3.5822  695.628   18.853 3.476532 7.164383 
1 1 1  -12   16   10 o  108.128   6.1717  121.879   12.887 -21.77849 12.34335 
1 1 1  -12   16   11 f  102.346   6.2712  107.134   12.482 -6.805443 12.54246 
1 1 1  -12   16   12 o  401.222   4.3028  1613.12   34.437 13.82910 8.605604 
1 1 1  -12   16   13 o   62.935   10.098   43.379   12.272 -9.371006 20.19506 
1 1 1  -12   16   14 o  200.915   3.8042  406.505   15.023 -3.265289 7.608303 
1 1 1  -12   16   15 o  327.629   3.8655  1078.05   25.267 4.053894 7.730986 
1 1 1  -12   16   17 o  162.128   6.7752  263.592   21.969      ?      ? 
1 1 1  -12   16   18 o   69.958   8.9509   72.604   10.907 -54.76942 17.90178 
1 1 1  -12   16   19 o   51.724   9.5207   32.142   10.409 -21.86106 19.04144 
1 1 1  -12   16   20 o  171.939   3.8367  306.217   11.726 -11.86905 7.673397 
1 1 1  -12   16   21 o   60.306   7.3279   52.549   10.810 -66.60487 14.65586 
1 1 1  -12   16   22 o  219.518   5.5613  483.921   24.416      ?      ? 
1 1 1  -12   16   23 o  147.124   4.4227  233.428   11.699 -26.01680 8.845443 
1 1 1  -12   16   24 o  105.143   6.2979  125.343   11.165 -25.68646 12.59590 
1 1 1  -12   16   25 f  193.630   3.6256  379.766   13.108 -4.003952 7.251260 
1 1 1  -12   16   26 o   76.851   8.8453   70.637   11.249 -25.30738 17.69069 
1 1 1  -12   16   27 o  146.440   4.6241  218.195   12.169 -2.337341 9.248258 
1 1 1  -12   16   28 o   54.420   10.314   35.657   11.463 -15.96170 20.62861 
1 1 1  -12   16   29 o   80.699   7.7287   66.781   11.543 1.611282 15.45747 
1 1 1  -12   16   30 o   82.895   7.3097   66.628   11.565 14.78025 14.61943 
1 1 1  -12   16   31 o   56.144   15.624   50.744   18.177      ?      ? 
1 1 1  -12   17    1 o  135.466   5.3888  187.497   14.364 21.04115 10.77758 
1 1 1  -12   17    2 o  164.192   4.6028  272.493   15.015 14.73097 9.205588 
1 1 1  -12   17    3 f  300.955   5.2880  908.292   31.829      ?      ? 
1 1 1  -12   17    4 o  306.167   5.3150  940.056   32.545      ?      ? 
1 1 1  -12   17    5 o  236.140   5.1922  559.096   24.522      ?      ? 
1 1 1  -12   17    6 o  201.441   5.5089  406.958   22.195      ?      ? 
1 1 1  -12   17    7 f  264.372   3.5561  700.420   18.782 1.780853 7.112243 
1 1 1  -12   17    8 o  356.897   3.9727  1272.90   28.281 18.76648 7.945476 
1 1 1  -12   17    9 o  251.513   3.5876  635.165   18.021 -14.79552 7.175211 
1 1 1  -12   17   10 o  127.152   5.0941  162.975   12.792 -1.452240 10.18811 
1 1 1  -12   17   11 o   87.930   7.0707   80.550   11.908 -10.06085 14.14143 
1 1 1  -12   17   12 o  119.050   5.3400  137.654   12.457 22.37917 10.68007 
1 1 1  -12   17   13 o  141.684   4.6780  201.264   12.845 2.032883 9.355940 
1 1 1  -12   17   14 o  168.986   4.2603  289.515   13.975 -4.966873 8.520627 
1 1 1  -12   17   15 o  327.243   5.3820  1073.80   35.225      ?      ? 
1 1 1  -12   17   16 o  170.214   4.8277  299.309   15.403 -74.56311 9.655316 
1 1 1  -12   17   17 f  110.028   5.7972  137.881   10.589 -27.25630 11.59448 
1 1 1  -12   17   18 o  200.688   3.4484  407.814   12.069 -3.684357 6.896728 
1 1 1  -12   17   19 o  181.914   3.7546  328.914   11.860 3.892838 7.509196 
1 1 1  -12   17   20 o  157.678   6.8075  251.477   21.468      ?      ? 
1 1 1  -12   17   21 o  239.848   3.3229  523.156   14.670 55.50522 6.645765 
1 1 1  -12   17   22 o   86.744   8.0484   97.581   10.656 -49.11423 16.09676 
1 1 1  -12   17   23 o  143.241   4.4682  216.818   11.206 -14.74733 8.936440 
1 1 1  -12   17   24 o  124.342   4.8317  145.912   11.055 19.74673 9.663464 
1 1 1  -12   17   25 o  105.549   5.7977  114.210   11.068 -2.111824 11.59543 
1 1 1  -12   17   26 o   43.436   10.045   20.253   11.066 -15.80047 20.09035 
1 1 1  -12   17   27 o   79.386   8.3481   67.715   11.433 -5.424042 16.69610 
1 1 1  -12   17   28 o   53.450   10.791   31.095   11.401 0.5603790E-02 21.58158 
1 1 1  -12   17   29 o   60.067   10.140   38.425   11.259 2.490543 20.27945 
1 1 1  -12   17   30 o  124.735   4.8696  159.217   11.712 -3.301643 9.739274 
1 1 1  -12   18    1 f  365.375   4.0913  1339.39   29.890 1.851990 8.182687 
1 1 1  -12   18    2 o  329.471   3.8832  1085.85   25.521 -10.96954 7.766471 
1 1 1  -12   18    3 o  160.270   4.4043  258.653   14.056 6.567383 8.808651 
1 1 1  -12   18    4 o   92.323   9.5706   86.026   17.672      ?      ? 
1 1 1  -12   18    5 o  216.385   5.2509  469.609   22.724      ?      ? 
1 1 1  -12   18    6 o  168.148   5.9500  283.867   20.010      ?      ? 
1 1 1  -12   18    7 o  167.131   3.9918  281.921   13.269 -14.09573 7.983588 
1 1 1  -12   18    8 o   95.609   6.7020   99.160   11.893 -32.42925 13.40395 
1 1 1  -12   18    9 o  195.274   3.7446  382.684   14.518 0.5328064 7.489102 
1 1 1  -12   18   10 o   42.323   9.9334   15.798   11.469 -20.04766 19.86681 
1 1 1  -12   18   11 o   29.596   9.1387  -7.4163   11.358 -9.563330 18.27731 
1 1 1  -12   18   12 o  177.926   3.9549  319.157   13.787 -2.691132 7.909863 
1 1 1  -12   18   13 o  139.379   5.0094  200.664   13.420 -13.70160 10.01878 
1 1 1  -12   18   14 o  270.493   4.9623  732.802   26.846      ?      ? 
1 1 1  -12   18   15 o   88.416   6.6450  112.629   13.756 -128.7716 13.28994 
1 1 1  -12   18   16 o  210.821   3.8436  449.359   16.000 -5.863892 7.687221 
1 1 1  -12   18   17 o  150.742   3.9576  229.923   10.148 -2.050705 7.915247 
1 1 1  -12   18   18 o  155.316   4.0386  249.967   10.574 -9.022369 8.077268 
1 1 1  -12   18   20 o  432.665   6.5291  1881.48   56.498      ?      ? 
1 1 1  -12   18   22 o  122.235   5.0066  164.090   10.563 -22.82242 10.01318 
1 1 1  -12   18   23 f  165.054   3.9351  269.843   11.549 5.115463 7.870157 
1 1 1  -12   18   24 o  215.876   3.4839  476.108   13.553 -7.535980 6.967725 
1 1 1  -12   18   25 o  118.548   5.2774  143.561   11.016 -2.025742 10.55476 
1 1 1  -12   18   26 o   41.995   10.399   17.871   10.823 -7.133324 20.79774 
1 1 1  -12   18   27 f   93.425   7.0317   97.196   11.290 -17.79800 14.06338 
1 1 1  -12   18   28 o  158.991   4.3412  259.240   12.368 -5.979111 8.682335 
1 1 1  -12   18   29 o  130.979   4.8239  177.338   11.787 -8.389511 9.647767 
1 1 1  -12   19    1 o  194.291   3.8913  380.373   15.052 11.46599 7.782522 
1 1 1  -12   19    2 o  189.944   3.8974  361.011   14.720 -4.877228 7.794824 
1 1 1  -12   19    3 o  259.362   3.6120  673.058   18.662 -7.000748 7.224049 
1 1 1  -12   19    4 o  200.170   5.1697  401.996   20.696      ?      ? 
1 1 1  -12   19    5 o  346.724   5.5146  1206.93   38.241      ?      ? 
1 1 1  -12   19    6 o  114.868   7.4834  132.979   17.192      ?      ? 
1 1 1  -12   19    7 o   91.316   6.1898   84.878   11.098 -3.593010 12.37964 
1 1 1  -12   19    8 o  200.434   3.5930  403.572   14.297 -1.399139 7.185918 
1 1 1  -12   19    9 o   69.825   9.0482   59.416   11.411 -38.48568 18.09649 
1 1 1  -12   19   10 o  135.934   4.7341  185.919   12.562 0.6906281 9.468224 
1 1 1  -12   19   11 o  101.670   6.6752  114.192   12.385 -30.05597 13.35046 
1 1 1  -12   19   12 o  219.759   3.8405  487.259   16.639 -45.74989 7.681050 
1 1 1  -12   19   13 o  218.433   5.0216  477.918   21.938      ?      ? 
1 1 1  -12   19   14 o   51.760   8.2356   27.554   12.057 -48.92695 16.47115 
1 1 1  -12   19   15 o   57.821   9.8281   38.108   11.556 -20.04636 19.65619 
1 1 1  -12   19   16 o  244.719   3.5916  599.668   17.362 6.019608 7.183162 
1 1 1  -12   19   17 o   79.500   8.1449   82.303   9.2238 -34.33086 16.28985 
1 1 1  -12   19   18 o   42.578   8.2558   18.792   9.9690 -31.61025 16.51159 
1 1 1  -12   19   19 o  227.035   5.3237  517.511   24.173      ?      ? 
1 1 1  -12   19   20 o   42.800   8.4162   19.880   10.034 -30.30132 16.83242 
1 1 1  -12   19   21 o   98.256   6.3163  114.002   10.024 -30.83685 12.63258 
1 1 1  -12   19   22 o  171.289   3.6782  292.471   11.287 2.848358 7.356358 
1 1 1  -12   19   23 o   83.981   6.8709   71.037   10.144 3.258354 13.74181 
1 1 1  -12   19   24 o   36.151   10.255   7.7853   10.126 8.038166 20.50921 
1 1 1  -12   19   25 o   48.263   10.353   25.914   10.468 -6.051579 20.70623 
1 1 1  -12   19   26 o   73.812   8.5820   59.452   10.926 -7.116364 17.16409 
1 1 1  -12   19   27 o  132.158   4.8730  184.786   11.649 -14.92898 9.746010 
1 1 1  -12   19   28 o  209.497   3.5571  443.991   13.834 -3.336380 7.114299 
1 1 1  -12   20    1 o  257.194   3.5698  665.524   18.318 15.40604 7.139640 
1 1 1  -12   20    2 o  135.757   4.6808  184.726   12.597 -3.918503 9.361629 
1 1 1  -12   20    3 o  115.892   5.3729  133.245   12.330 -22.28745 10.74583 
1 1 1  -12   20    4 o  207.234   3.6743  430.422   15.177 -4.072144 7.348670 
1 1 1  -12   20    5 o   91.417   8.9364   84.547   16.339      ?      ? 
1 1 1  -12   20    6 o  190.169   5.2950  363.148   20.139      ?      ? 
1 1 1  -12   20    7 f  245.324   3.4462  599.540   16.798 15.40805 6.892324 
1 1 1  -12   20    8 o   25.562   8.5443 -17.3919   11.393 1.114235 17.08862 
1 1 1  -12   20    9 o   75.353   8.2867   58.084   12.444 1.725151 16.57340 
1 1 1  -12   20   10 o  311.492   3.7684  930.166   22.841 57.67416 7.536786 
1 1 1  -12   20   11 o  248.180   3.7455  519.858   17.023 107.7583 7.490961 
1 1 1  -12   20   12 o  201.422   4.9515  407.517   19.947      ?      ? 
1 1 1  -12   20   13 o   68.416   9.1235   52.458   11.441 -15.82402 18.24695 
1 1 1  -12   20   14 o  203.630   3.5913  410.435   14.245 13.00987 7.182657 
1 1 1  -12   20   15 o   58.333   10.045   34.373   11.449 18.40084 20.09100 
1 1 1  -12   20   17 o  124.892   7.1885  156.760   17.956      ?      ? 
1 1 1  -12   20   18 o  184.177   3.3713  346.817   11.638 -10.00421 6.742693 
1 1 1  -12   20   19 o   83.281   7.5390   87.315   9.5020 -36.38777 15.07803 
1 1 1  -12   20   20 o  189.394   3.4921  362.468   11.559 -2.025253 6.984266 
1 1 1  -12   20   21 o  112.391   5.0159  116.255   10.031 21.02847 10.03181 
1 1 1  -12   20   22 o   52.578   9.9497   31.342   9.8978 -5.982933 19.89937 
1 1 1  -12   20   23 o   47.310   9.7840   26.130   9.9127 -13.30715 19.56792 
1 1 1  -12   20   24 o   98.259   5.9911   98.219   10.467 0.3822327E-01 11.98228 
1 1 1  -12   20   25 f  119.062   5.0509  140.339   10.893 6.809540 10.10171 
1 1 1  -12   20   26 o   73.176   8.7180   63.423   10.744 -21.99740 17.43608 
1 1 1  -12   20   27 o   96.577   7.1736   95.827   13.753 15.27880 14.34716 
1 1 1  -12   20   28 o  113.048   5.0906  127.135   11.156 19.78254 10.18113 
1 1 1  -12   21    1 o  109.157   5.8408  125.231   12.141 18.14399 11.68156 
1 1 1  -12   21    2 o  158.784   4.2286  251.723   13.266 -7.077667 8.457295 
1 1 1  -12   21    3 o  102.515   6.1111  105.814   12.392 -3.823212 12.22217 
1 1 1  -12   21    4 o   98.628   6.4612   96.557   12.583 -20.69012 12.92241 
1 1 1  -12   21    5 f  137.911   5.2875  187.520   13.860 -60.59627 10.57491 
1 1 1  -12   21    6 o   22.423   11.104 -42.2650   18.597      ?      ? 
1 1 1  -12   21    7 o  202.357   3.8979  411.222   15.580 -41.69101 7.795804 
1 1 1  -12   21    8 o  321.401   3.8305  1033.61   24.609 -12.47272 7.661043 
1 1 1  -12   21    9 o  364.256   4.2660  915.971   24.786 -204.1313 8.531996 
1 1 1  -12   21   10 o   29.321   9.1328 -10.1980   11.613 -11.93694 18.26555 
1 1 1  -12   21   11 o   30.253   9.1908  -3.2687   10.861 -8.567598 18.38156 
1 1 1  -12   21   12 o   74.410   7.9109   52.926   11.299 17.77811 15.82177 
1 1 1  -12   21   13 o   45.270   10.830   20.063   11.203 2.888245 21.66087 
1 1 1  -12   21   14 o  110.696   5.6217  124.682   12.049 0.6645126 11.24335 
1 1 1  -12   21   15 o  123.688   5.2255  155.985   12.639 -32.34327 10.45099 
1 1 1  -12   21   16 o  176.002   4.4086  313.437   14.448 86.12682 8.817163 
1 1 1  -12   21   17 o   93.840   8.4754  101.668   12.849 -76.69775 16.95084 
1 1 1  -12   21   18 o  176.106   3.5351  319.774   10.917 -9.465836 7.070253 
1 1 1  -12   21   19 o   23.932   7.9984 -11.8404   9.1414 2.766453 15.99687 
1 1 1  -12   21   20 o   64.510   8.6795   42.666   9.5241 1.031826 17.35899 
1 1 1  -12   21   21 o  154.618   4.0081  246.440   10.879 -7.471802 8.016174 
1 1 1  -12   21   22 o  168.018   3.8219  294.596   11.390 -13.70631 7.643699 
1 1 1  -12   21   23 o   97.753   5.8660   98.625   10.209 -3.312218 11.73198 
1 1 1  -12   21   24 f   67.813   8.4512   47.360   10.055 2.971283 16.90247 
1 1 1  -12   21   25 o   45.618   10.425   21.615   10.193 1.980152 20.84961 
1 1 1  -12   21   26 o  115.014   5.0618  128.437   10.970 13.41431 10.12357 
1 1 1  -12   21   27 o   81.826   7.7201   69.763   12.512 -11.27328 15.44021 
1 1 1  -12   22    1 o  220.159   3.7721  481.062   16.504 -18.88162 7.544213 
1 1 1  -12   22    2 o  196.335   3.9208  371.548   15.095 -47.24980 7.841671 
1 1 1  -12   22    3 o  318.913   3.8002  1017.22   24.216 18.24753 7.600356 
1 1 1  -12   22    4 o  241.140   3.7178  563.717   17.584 64.41373 7.435499 
1 1 1  -12   22    5 o  243.794   4.1471  459.533   17.555 166.1946 8.294290 
1 1 1  -12   22    6 o  222.053   3.6840  470.301   15.957 55.93649 7.368054 
1 1 1  -12   22    7 o  265.477   3.5591  709.170   18.873 -5.154846 7.118151 
1 1 1  -12   22    8 o  119.079   5.2592  147.684   12.180 -20.81056 10.51831 
1 1 1  -12   22    9 o  125.068   4.7775  157.862   11.630 -0.4552383 9.555077 
1 1 1  -12   22   10 o   99.634   5.9992  102.930   11.216 -7.226501 11.99844 
1 1 1  -12   22   11 o  143.019   4.4871  207.143   12.359 -2.707397 8.974288 
1 1 1  -12   22   12 o  147.364   4.4376  222.873   12.692 -10.09993 8.875183 
1 1 1  -12   22   13 o   36.515   10.390   5.1420   11.852 12.44897 20.78044 
1 1 1  -12   22   14 o  191.542   3.8382  358.216   14.466 47.03404 7.676356 
1 1 1  -12   22   15 o   29.110   9.3160  -9.5035   11.799 -5.609596 18.63203 
1 1 1  -12   22   16 o   91.403   6.8506   89.812   11.748 -35.21474 13.70129 
1 1 1  -12   22   17 o   25.258   8.4657 -16.7569   11.196 1.127321 16.93150 
1 1 1  -12   22   18 o  103.926   9.1903  109.970   19.102      ?      ? 
1 1 1  -12   22   19 o  101.620   5.6723  107.850   9.7246 -6.102539 11.34466 
1 1 1  -12   22   20 f  174.942   3.6511  315.578   11.363 -9.831192 7.302288 
1 1 1  -12   22   21 o   89.623   6.2427   79.923   10.022 4.882813 12.48545 
1 1 1  -12   22   22 o   39.603   10.286   13.572   9.7855 6.296497 20.57234 
1 1 1  -12   22   23 f  136.583   4.3002  190.038   10.460 -2.594727 8.600354 
1 1 1  -12   22   24 o   39.176   9.9633   14.757   9.9445 -5.593075 19.92668 
1 1 1  -12   22   25 o  112.985   5.1439  127.353   10.645 3.797684 10.28771 
1 1 1  -12   22   26 o  113.223   5.3157  134.941   11.376 -10.94788 10.63149 
1 1 1  -12   23    1 o   27.698   9.0717 -15.7863   12.095 -8.061932 18.14334 
1 1 1  -12   23    2 o  122.312   5.1332  151.199   12.514 -14.32641 10.26636 
1 1 1  -12   23    3 o  113.838   5.7603  132.793   12.384 -49.85574 11.52070 
1 1 1  -12   23    4 o   76.392   8.6481   65.014   11.889 -55.76261 17.29614 
1 1 1  -12   23    5 o   95.002   6.3717   91.630   12.060 -11.38601 12.74330 
1 1 1  -12   23    6 o   80.413   6.4010   69.172   9.1350 -10.63748 12.80200 
1 1 1  -12   23    7 o  132.320   4.3843  176.123   11.392 1.214783 8.768501 
1 1 1  -12   23    8 f  160.801   5.0288  259.928   16.173      ?      ? 
1 1 1  -12   23    9 o  203.598   3.6229  414.188   14.452 6.259155 7.245876 
1 1 1  -12   23   10 o  226.615   3.6213  519.699   16.112 -1.417892 7.242547 
1 1 1  -12   23   12 o  174.469   3.9409  305.336   13.702 -0.6196442 7.881762 
1 1 1  -12   23   13 o  123.298   5.0520  158.965   12.004 -28.97710 10.10391 
1 1 1  -12   23   14 o   38.519   9.8812   11.674   10.996 -14.55243 19.76232 
1 1 1  -12   23   15 o   60.133   9.5006   42.512   11.058 -20.69091 19.00127 
1 1 1  -12   23   16 o  116.772   5.3989  141.961   11.843 -10.03506 10.79785 
1 1 1  -12   23   17 f  156.894   4.2225  242.883   12.892 12.97227 8.445053 
1 1 1  -12   23   18 o   37.312   8.3196   13.720   9.2434 -22.99405 16.63910 
1 1 1  -12   23   19 o   61.865   9.1027   39.595   9.5955 0.9010925 18.20533 
1 1 1  -12   23   20 o  129.117   4.6858  171.465   10.383 -4.702202 9.371653 
1 1 1  -12   23   21 o  165.878   3.7970  273.586   11.106 4.570847 7.593978 
1 1 1  -12   23   22 f   48.870   9.1719   29.013   9.7115 -21.04512 18.34377 
1 1 1  -12   23   23 o  108.976   5.4259  127.847   10.171 -13.92827 10.85171 
1 1 1  -12   23   24 o  130.291   7.6024  172.264   19.811      ?      ? 
1 1 1  -12   23   25 o   62.621   9.5413   41.196   11.141 15.07124 19.08261 
1 1 1  -12   24    1 o   81.565   6.8086   67.939   10.960 1.095161 13.61714 
1 1 1  -12   24    2 o   86.525   6.5709   75.946   11.339 -4.052376 13.14186 
1 1 1  -12   24    3 o   80.390   7.4693   66.571   11.886 13.11706 14.93868 
1 1 1  -12   24    4 o  140.707   4.5964  199.581   12.928 2.532959 9.192732 
1 1 1  -12   24    5 o  151.073   4.4307  230.371   13.373 -4.382355 8.861339 
1 1 1  -12   24    6 o  177.418   3.3981  320.268   10.979 -5.204834 6.796272 
1 1 1  -12   24    7 o   37.938   9.8386   8.4077   9.4261 21.10871 19.67721 
1 1 1  -12   24    8 o  189.218   3.7750  364.044   14.139 -24.98360 7.550089 
1 1 1  -12   24    9 o  219.936   3.6867  403.589   14.792 109.8584 7.373461 
1 1 1  -12   24   10 o  269.537   3.8520  460.394   16.333 187.8307 7.703932 
1 1 1  -12   24   11 o  107.359   5.9739  120.652   12.391 -16.70800 11.94786 
1 1 1  -12   24   12 o   92.159   7.0622   96.133   11.633 -29.92352 14.12431 
1 1 1  -12   24   13 f   27.224   8.5396 -10.2208   10.733 -9.640676 17.07910 
1 1 1  -12   24   14 o   98.272   6.4965  103.449   11.533 -12.83954 12.99292 
1 1 1  -12   24   15 o  124.242   4.9839  152.400   11.947 9.899818 9.967868 
1 1 1  -12   24   16 o  122.491   5.2106  150.400   12.220 5.155998 10.42119 
1 1 1  -12   24   17 o   83.241   7.3435   67.417   11.817 18.49345 14.68690 
1 1 1  -12   24   18 o   81.354   7.8459   69.519   12.236 -4.709770 15.69176 
1 1 1  -12   24   19 o   92.438   6.4359   89.814   9.8893 -5.679436 12.87172 
1 1 1  -12   24   20 o   41.147   9.8221   18.147   9.8849 -10.55439 19.64419 
1 1 1  -12   24   21 o   89.138   6.6302   82.988   10.223 -4.338448 13.26037 
1 1 1  -12   24   22 o   84.652   6.5003   68.247   10.116 14.45335 13.00059 
1 1 1  -12   24   23 o  116.415   5.2966  131.866   10.965 9.640884 10.59318 
1 1 1  -12   24   24 o  145.842   4.6273  225.364   12.044 -10.70578 9.254571 
1 1 1  -12   25    1 o  190.486   3.8019  365.257   14.437 -11.79976 7.603842 
1 1 1  -12   25    2 o  260.356   3.6464  683.834   18.985 0.6203918 7.292772 
1 1 1  -12   25    3 o  187.715   3.9728  355.042   14.905 -3.833801 7.945505 
1 1 1  -12   25    4 o  195.585   5.6579  384.263   22.132      ?      ? 
1 1 1  -12   25    5 o  188.322   3.8786  349.248   14.453 37.10681 7.757269 
1 1 1  -12   25    6 o  257.872   5.0505  666.541   26.048      ?      ? 
1 1 1  -12   25    7 o  236.778   3.0370  564.542   13.601 -3.586227 6.074016 
1 1 1  -12   25    8 o   68.900   8.4576   50.260   11.233 -6.427017 16.91512 
1 1 1  -12   25    9 o  148.366   4.4191  234.998   12.304 -53.68011 8.838162 
1 1 1  -12   25   10 o  109.995   6.0251  139.525   11.578 -44.88385 12.05014 
1 1 1  -12   25   11 o  172.591   4.0051  306.790   13.297 -14.33078 8.010172 
1 1 1  -12   25   12 o  227.630   3.5916  516.640   15.870 8.486221 7.183125 
1 1 1  -12   25   13 o  150.916   4.2900  214.663   12.295 29.84717 8.579913 
1 1 1  -12   25   14 o   77.585   8.7881   70.846   11.592 -24.70533 17.57624 
1 1 1  -12   25   15 o  108.473   5.8790  124.954   11.832 -13.63714 11.75792 
1 1 1  -12   25   16 o   72.560   8.3773   50.234   11.340 30.46350 16.75464 
1 1 1  -12   25   17 o   42.309   10.824   15.048   11.390 12.04876 21.64703 
1 1 1  -12   25   18 o   45.792   11.070   20.402   11.867 9.155880 22.14087 
1 1 1  -12   25   19 o  148.354   4.1823  226.586   10.534 -5.877899 8.364538 
1 1 1  -12   25   20 o   50.375   9.8536   29.854   9.9300 -12.02970 19.70720 
1 1 1  -12   25   21 o   95.312   5.8505   86.778   10.247 14.09383 11.70097 
1 1 1  -12   25   22 o  137.427   4.3104  197.242   10.999 -14.02260 8.620782 
1 1 1  -12   26    1 o  219.568   3.6260  484.315   15.910 -2.108810 7.251956 
1 1 1  -12   26    2 o  175.157   4.0081  307.925   14.017 -12.31979 8.016225 
1 1 1  -12   26    3 o  126.684   7.2296  162.654   18.318      ?      ? 
1 1 1  -12   26    5 o  102.436   8.2660  106.982   16.935      ?      ? 
1 1 1  -12   26    6 o  200.393   3.1558  416.162   11.789 -18.59235 6.311620 
1 1 1  -12   26    7 o  173.030   3.3843  310.880   10.676 -14.38812 6.768564 
1 1 1  -12   26    8 o  113.248   4.9812  143.116   9.6516 -25.26183 9.962465 
1 1 1  -12   26    9 o   67.643   8.9786   56.288   10.567 -28.24923 17.95728 
1 1 1  -12   26   10 o  227.204   3.4974  499.424   15.303 30.04443 6.994770 
1 1 1  -12   26   11 o  175.723   3.9181  308.847   13.243 3.570938 7.836134 
1 1 1  -12   26   12 f   87.309   8.0981   92.696   11.347 -33.76882 16.19624 
1 1 1  -12   26   13 o  137.406   4.7665  197.747   12.055 -13.28529 9.532907 
1 1 1  -12   26   14 f   56.953   10.095   34.163   10.833 5.618763 20.19016 
1 1 1  -12   26   15 o   40.740   10.557   15.259   10.859 0.2055893 21.11321 
1 1 1  -12   26   16 o   69.395   8.5964   48.616   11.065 8.969772 17.19275 
1 1 1  -12   26   17 o   96.118   6.5780   90.811   12.020 13.31381 13.15607 
1 1 1  -12   26   18 o   74.635   9.0562   60.203   12.331 -5.722298 18.11246 
1 1 1  -12   26   19 o  164.006   4.2169  272.413   13.492 -1.499374 8.433732 
1 1 1  -12   26   20 o  100.186   5.8353  102.066   10.432 -0.6816635 11.67070 
1 1 1  -12   26   21 o   63.031   8.8884   46.969   10.439 -23.59510 17.77679 
1 1 1  -12   27    1 o   54.840   15.229   33.271   17.288      ?      ? 
1 1 1  -12   27    2 o   96.752   6.2345   97.049   11.901 14.11745 12.46892 
1 1 1  -12   27    3 f  146.855   4.3956  216.893   12.864 -9.890762 8.791266 
1 1 1  -12   27    4 f   41.150   9.4755   3.7696   12.078 -35.19466 18.95096 
1 1 1  -12   27    5 o  166.646   3.3927  285.479   10.384 -10.01237 6.785420 
1 1 1  -12   27    6 o  106.994   5.1761  116.549   10.682 -2.975121 10.35221 
1 1 1  -12   27    7 o  179.628   3.5646  314.375   12.514 24.76004 7.129280 
1 1 1  -12   27    8 o  222.402   3.4059  498.436   15.014 -4.663986 6.811782 
1 1 1  -12   27    9 o  102.325   5.4133  104.550   10.541 6.112953 10.82669 
1 1 1  -12   27   10 o  263.143   3.4751  696.049   18.057 4.489502 6.950221 
1 1 1  -12   27   11 o  174.388   3.8381  301.951   12.686 7.637451 7.676236 
1 1 1  -12   27   12 o  166.231   4.0002  275.652   12.425 5.062531 8.000432 
1 1 1  -12   27   13 o   86.570   6.9284   78.587   10.883 -5.169838 13.85685 
1 1 1  -12   27   14 o   37.001   10.126   10.449   10.735 -4.375988 20.25171 
1 1 1  -12   27   15 f  116.698   5.3300  139.074   11.668 -1.169281 10.66007 
1 1 1  -12   27   16 o   72.819   8.7714   58.848   11.399 -11.53368 17.54279 
1 1 1  -12   27   17 o  226.177   3.6310  515.648   16.162 0.4726105 7.262004 
1 1 1  -12   27   18 o  213.932   3.7013  461.505   15.549 -1.710449 7.402558 
1 1 1  -12   27   19 o  137.346   4.4537  192.061   12.101 -7.725403 8.907410 
1 1 1  -12   27   20 o   59.657   8.4662   49.164   9.7562 -35.00085 16.93233 
1 1 1  -12   28    1 o  111.230   5.6813  125.900   12.584 5.516235 11.36268 
1 1 1  -12   28    2 o  156.379   5.8368  246.477   18.255      ?      ? 
1 1 1  -12   28    3 o  145.406   4.4680  209.398   12.846 -19.22882 8.935934 
1 1 1  -12   28    4 o   96.516   6.6308   94.122   12.590 -24.68050 13.26164 
1 1 1  -12   28    5 o  131.046   4.0989  174.219   9.5841 -1.360199 8.197900 
1 1 1  -12   28    6 o  112.635   5.1086  134.336   10.744 -15.25299 10.21711 
1 1 1  -12   28    7 o   40.146   9.6901   15.407   10.372 -14.78908 19.38027 
1 1 1  -12   28    8 o  129.693   4.4681  169.458   11.011 1.036102 8.936141 
1 1 1  -12   28    9 o  117.171   4.9009  137.166   10.768 4.608917 9.801752 
1 1 1  -12   28   10 o  245.543   3.4348  601.618   16.536 10.95605 6.869648 
1 1 1  -12   28   11 o  170.067   3.8998  294.862   12.689 -6.612610 7.799617 
1 1 1  -12   28   12 o  184.243   3.7246  342.234   13.155 0.2110443 7.449298 
1 1 1  -12   28   13 f  129.852   4.7182  170.241   11.642 1.903091 9.436397 
1 1 1  -12   28   14 o   80.583   7.2173   64.189   11.207 11.94717 14.43456 
1 1 1  -12   28   15 o  147.261   4.3640  221.430   12.368 -5.333694 8.728009 
1 1 1  -12   28   16 o   92.414   6.4736   86.231   11.569 3.910072 12.94728 
1 1 1  -12   28   17 o  109.391   5.4123  120.387   11.649 5.367195 10.82460 
1 1 1  -12   28   18 o  121.746   4.7268  153.796   11.297 -12.38707 9.453588 
1 1 1  -12   29    1 o  120.660   5.4265  147.306   13.060 -7.354813 10.85296 
1 1 1  -12   29    2 o  100.083   6.5078  102.471   12.851 -21.99363 13.01551 
1 1 1  -12   29    3 o   85.013   10.501   74.629   17.855      ?      ? 
1 1 1  -12   29    4 o  150.865   4.6012  229.329   13.845 -12.10925 9.202480 
1 1 1  -12   29    5 o  108.260   6.3215  145.469   10.881 -69.83897 12.64291 
1 1 1  -12   29    6 o   54.215   9.7918   33.097   10.412 -7.137573 19.58366 
1 1 1  -12   29    7 f   56.260   9.6523   31.724   10.380 17.58231 19.30463 
1 1 1  -12   29    8 o  170.602   3.7039  289.281   12.192 8.839539 7.407870 
1 1 1  -12   29    9 o  125.029   4.7079  158.037   11.214 1.102287 9.415893 
1 1 1  -12   29   10 o   99.476   5.9664  105.813   11.026 -14.26801 11.93272 
1 1 1  -12   29   11 o  173.672   3.8059  302.872   12.777 3.035904 7.611882 
1 1 1  -12   29   12 o  326.262   3.7701  1068.69   24.420 12.46646 7.540289 
1 1 1  -12   29   13 f   91.180   6.5614   85.749   11.456 -2.128494 13.12285 
1 1 1  -12   29   14 o  143.300   4.3274  207.423   12.070 -0.6187134 8.654739 
1 1 1  -12   29   15 o   74.431   7.7749   59.162   10.882 -9.047852 15.54971 
1 1 1  -12   29   16 o   72.294   7.8983   59.910   10.337 -26.19747 15.79666 
1 1 1  -12   30    1 o  125.054   5.2236  160.677   12.868 8.836700 10.44724 
1 1 1  -12   30    2 o  112.439   5.6539  130.247   12.589 12.89702 11.30784 
1 1 1  -12   30    3 o  164.460   5.8170  273.515   19.133      ?      ? 
1 1 1  -12   30    4 o  105.717   8.5061  114.544   17.985      ?      ? 
1 1 1  -12   30    5 o   82.284   6.7404   68.106   10.713 7.329292 13.48072 
1 1 1  -12   30    6 o  158.024   3.8731  252.346   11.953 -0.3285217 7.746105 
1 1 1  -12   30    7 o   86.991   6.5255   78.933   10.791 -5.242622 13.05103 
1 1 1  -12   30    8 o   59.633   9.2126   36.035   10.301 15.46359 18.42514 
1 1 1  -12   30    9 o   54.912   9.8087   34.502   10.690 -10.87172 19.61734 
1 1 1  -12   30   10 o  111.507   5.1076  123.197   11.124 12.24136 10.21523 
1 1 1  -12   30   11 o  115.412   4.9780  136.153   11.121 -4.751183 9.955922 
1 1 1  -12   30   12 o  115.581   4.9469  134.522   11.230 3.115875 9.893846 
1 1 1  -12   30   13 o  178.639   3.5424  322.697   12.611 -12.55695 7.084735 
1 1 1  -12   30   14 o   94.506   6.9333   98.847   10.442 75.51549 13.86663 
1 1 1  -12   31    1 f  228.903   3.6030  528.270   16.213 0.5408478 7.206010 
1 1 1  -12   31    2 o  127.544   5.0342  165.279   12.491 0.5439301 10.06847 
1 1 1  -12   31    3 o  140.400   6.0388  199.420   16.957      ?      ? 
1 1 1  -12   31    4 o  108.182   5.2568  119.901   11.137 -4.039391 10.51352 
1 1 1  -12   31    5 o  141.620   6.6216  203.405   18.755      ?      ? 
1 1 1  -12   31    6 o   78.078   7.2747   65.069   10.842 -12.39250 14.54946 
1 1 1  -12   31    7 o   77.610   6.7946   61.973   10.385 -2.377869 13.58923 
1 1 1  -12   31    8 o  124.032   4.4286  154.633   10.882 4.017776 8.857253 
1 1 1  -12   31    9 o  125.686   4.4251  159.547   11.109 1.097878 8.850159 
1 1 1  -12   31   10 o  103.080   5.2159  108.299   10.732 5.425392 10.43183 
1 1 1  -12   31   11 o   98.389   5.6386  106.171   10.451 31.75979 11.27730 
1 1 1  -12   32    1 o  145.400   4.4951  212.538   12.214 -1.534683 8.990103 
1 1 1  -12   32    2 o  190.430   4.5860  364.628   17.466      ?      ? 
1 1 1  -12   32    3 o  163.582   4.8495  269.278   15.866      ?      ? 
1 1 1  -12   32    4 o  194.826   3.4109  379.879   13.207 -9.285690 6.821838 
1 1 1  -12   32    5 o  108.372   6.7488  119.091   14.628      ?      ? 
1 1 1  -12   32    6 f  104.693   6.8424  111.580   14.327      ?      ? 
1 1 1  -12   32    7 o  163.322   3.6745  278.911   11.688 29.06117 7.348954 
1 1 1  -11    0    5 o  316.528   5.4906  1003.17   34.735 -0.000000 0.000000 
1 1 1  -11    0    6 o  407.228   6.2371  1660.30   50.772 -0.000000 0.000000 
1 1 1  -11    0    7 f  206.292   5.8975  426.789   24.288 -0.000000 0.000000 
1 1 1  -11    0    8 o  673.870   9.4626  4548.89  127.475 -0.000000 0.000000 
1 1 1  -11    0    9 o  208.737   6.2987  437.111   26.242 -0.000000 0.000000 
1 1 1  -11    0   10 o  986.307   13.603  9755.41  268.223 -0.000000 0.000000 
1 1 1  -11    0   11 o  276.273   5.7029  764.626   31.481 -0.000000 0.000000 
1 1 1  -11    0   12 o  173.929   6.8364  304.152   23.701 -0.000000 0.000000 
1 1 1  -11    0   13 o  107.370   10.554  118.792   22.264 -0.000000 0.000000 
1 1 1  -11    0   14 o  252.344   5.8527  638.208   29.502 -0.000000 0.000000 
1 1 1  -11    0   15 o  361.918   6.0694  1311.98   43.905 -0.000000 0.000000 
1 1 1  -11    0   16 o   19.640   14.084 -30.4182   23.272 -0.000000 0.000000 
1 1 1  -11    0   17 o  291.952   4.0498  853.296   23.568 -0.000000 0.000000 
1 1 1  -11    0   18 f  171.949   4.9986  298.500   16.932 -0.000000 0.000000 
1 1 1  -11    0   19 o   24.015   11.483  -7.7711   15.308 -0.000000 0.000000 
1 1 1  -11    0   20 o   44.992   13.952   29.963   15.106 -0.000000 0.000000 
1 1 1  -11    0   21 o  170.217   4.9879  293.709   16.704 -0.000000 0.000000 
1 1 1  -11    0   22 f  261.395   4.0572  685.595   21.026 -0.000000 0.000000 
1 1 1  -11    0   23 o   23.974   11.278  -4.8914   14.329 -0.000000 0.000000 
1 1 1  -11    0   24 o   45.554   13.438   31.035   14.162 -0.000000 0.000000 
1 1 1  -11    0   25 o  161.880   5.2973  270.996   16.665 -0.000000 0.000000 
1 1 1  -11    0   26 o  129.812   6.4291  168.971   16.403 -0.000000 0.000000 
1 1 1  -11    0   27 o   25.161   11.536  -3.3884   14.493 -0.000000 0.000000 
1 1 1  -11    0   28 o  216.783   4.2116  470.073   18.170 -0.000000 0.000000 
1 1 1  -11    0   29 o   39.396   14.231   22.831   14.964 -0.000000 0.000000 
1 1 1  -11    0   30 o   34.735   14.003   16.526   15.003 -0.000000 0.000000 
1 1 1  -11    0   31 o   20.040   10.037 -24.6611   15.565 -0.000000 0.000000 
1 1 1  -11    0   32 o   30.372   13.313   9.3443   15.679 -0.000000 0.000000 
1 1 1  -11    0   33 o   38.058   13.704   19.109   15.048 -0.000000 0.000000 
1 1 1  -11    0   34 o   30.209   13.180   9.2902   15.307 -0.000000 0.000000 
1 1 1  -11    0   35 o   43.348   14.599   29.174   15.245 -0.000000 0.000000 
1 1 1  -11    0   36 o   82.606   10.027   74.322   15.141 -0.000000 0.000000 
1 1 1  -11    1    5 o  137.295   5.4997  187.521   15.050 -11.88118 10.99946 
1 1 1  -11    1    6 o  450.937   4.7327  2035.54   42.681 -2.651001 9.465334 
1 1 1  -11    1    7 o  226.762   4.0965  497.699   18.189 63.97507 8.193072 
1 1 1  -11    1    8 f  431.056   4.6423  1858.91   40.000 -8.138123 9.284657 
1 1 1  -11    1    9 f   52.893   12.395   25.754   15.746 13.35667 24.78978 
1 1 1  -11    1   10 o  268.044   4.1196  666.213   21.256 -87.41066 8.239120 
1 1 1  -11    1   11 o  125.538   6.4795  158.046   16.214 0.3400879 12.95893 
1 1 1  -11    1   12 o  432.440   4.6719  1871.82   40.377 -5.522522 9.343789 
1 1 1  -11    1   13 o  299.403   4.0873  897.813   24.460 11.08929 8.174553 
1 1 1  -11    1   14 o  247.544   4.2002  613.404   20.790 -3.492386 8.400387 
1 1 1  -11    1   15 o  295.323   4.0906  873.412   24.161 1.344940 8.181263 
1 1 1  -11    1   16 o   49.078   10.843   24.629   12.926 -18.12606 21.68557 
1 1 1  -11    1   17 o  290.910   2.8607  846.964   16.642 5.978729 5.721325 
1 1 1  -11    1   18 o  129.782   4.3768  168.951   11.352 3.721642 8.753651 
1 1 1  -11    1   19 o  264.734   2.8740  701.558   15.216 -0.1744690 5.748013 
1 1 1  -11    1   20 o   83.171   6.6658   69.663   11.086 0.9542465 13.33170 
1 1 1  -11    1   21 f  352.125   2.9768  1241.98   20.957 1.141052 5.953661 
1 1 1  -11    1   22 o  146.223   3.8164  214.773   11.137 -3.549316 7.632706 
1 1 1  -11    1   23 o  149.119   3.6783  222.320   10.948 8.862152 7.356620 
1 1 1  -11    1   24 o  117.869   5.2294  139.368   11.670 1.462486 10.45887 
1 1 1  -11    1   25 o   22.401   7.6592 -25.8815   10.747 -4.410849 15.31849 
1 1 1  -11    1   26 o  143.935   5.8793  207.665   16.925      ?      ? 
1 1 1  -11    1   27 o  184.216   3.1492  340.339   11.581 2.791809 6.298441 
1 1 1  -11    1   28 o  105.136   4.9828  111.676   10.434 0.6821747 9.965507 
1 1 1  -11    1   29 o  227.576   2.9243  517.592   13.286 8.206146 5.848687 
1 1 1  -11    1   30 o   98.182   5.4661   97.817   10.712 8.824257 10.93224 
1 1 1  -11    1   31 f  118.800   4.7042  142.478   11.166 6.351669 9.408456 
1 1 1  -11    1   32 o  161.145   3.7014  262.284   11.923 -2.758255 7.402717 
1 1 1  -11    1   33 o   90.237   6.0024   83.156   10.817 6.944786 12.00482 
1 1 1  -11    1   34 o  106.842   5.2083  116.312   11.124 3.740425 10.41652 
1 1 1  -11    1   35 o   31.736   9.5806   1.0682   10.783 -2.615191 19.16119 
1 1 1  -11    1   36 o   95.674   5.6232   93.272   10.724 -9.109131 11.24634 
1 1 1  -11    2    5 o  267.298   5.4147  714.996   28.947      ?      ? 
1 1 1  -11    2    6 f  286.168   3.9289  819.475   22.481 8.695923 7.857825 
1 1 1  -11    2    7 o  376.552   4.2963  1411.55   32.264 28.31863 8.592510 
1 1 1  -11    2    8 o  274.117   4.0432  752.245   22.141 16.69955 8.086449 
1 1 1  -11    2    9 o  347.725   4.1994  1209.97   29.200 8.673309 8.398849 
1 1 1  -11    2   10 o  340.726   4.2203  1118.55   28.201 69.63928 8.440629 
1 1 1  -11    2   11 o  568.568   5.7778  3239.70   65.700 4.395142 11.55559 
1 1 1  -11    2   12 o  276.235   4.1008  763.267   22.595 -3.028503 8.201590 
1 1 1  -11    2   13 o  181.041   4.8585  327.376   17.563 -8.245331 9.717071 
1 1 1  -11    2   14 o  315.043   4.1152  992.255   25.904 -11.05768 8.230376 
1 1 1  -11    2   15 o  325.333   4.1756  1052.50   27.067 27.44937 8.351274 
1 1 1  -11    2   16 f  110.551   6.2092  116.713   12.908 15.08147 12.41835 
1 1 1  -11    2   17 o  367.672   3.7473  1337.03   25.515 11.80295 7.494672 
1 1 1  -11    2   18 o  154.344   3.7536  238.503   11.578 1.998627 7.507121 
1 1 1  -11    2   19 o  191.438   3.2401  366.930   12.396 0.4138184 6.480141 
1 1 1  -11    2   20 o  164.264   3.6197  270.195   11.885 4.024155 7.239436 
1 1 1  -11    2   21 o  122.616   4.4736  150.804   10.965 3.158493 8.947131 
1 1 1  -11    2   22 o  129.908   4.2068  169.472   10.926 -3.418533 8.413568 
1 1 1  -11    2   23 o  291.322   2.7984  850.476   16.304 -0.3518066 5.596704 
1 1 1  -11    2   24 o  186.996   3.1535  350.707   11.794 -1.050873 6.307075 
1 1 1  -11    2   27 o   70.172   7.2107   49.775   10.072 8.801117 14.42149 
1 1 1  -11    2   28 o   81.183   6.3544   67.962   10.180 -8.327255 12.70881 
1 1 1  -11    2   29 o   94.043   5.4339   89.217   10.177 -4.215828 10.86777 
1 1 1  -11    2   30 o   46.408   8.5157   17.860   10.265 38.98772 17.03148 
1 1 1  -11    2   31 o   70.407   8.1540   54.327   10.706 -20.69684 16.30800 
1 1 1  -11    2   32 o   69.418   7.9720   50.504   10.782 10.32353 15.94391 
1 1 1  -11    2   33 o  138.518   4.1228  192.653   11.369 8.985046 8.245506 
1 1 1  -11    2   34 o   62.425   9.0286   42.190   10.875 6.636803 18.05719 
1 1 1  -11    2   35 o   40.756   10.327   15.112   10.885 9.058075 20.65316 
1 1 1  -11    2   36 o   69.915   7.7833   51.603   10.501 -12.53444 15.56658 
1 1 1  -11    3    4 o  404.908   6.1711  1641.03   49.975      ?      ? 
1 1 1  -11    3    5 o  185.850   6.2098  345.727   23.082      ?      ? 
1 1 1  -11    3    6 o  363.271   4.1957  1318.97   30.463 15.90381 8.391438 
1 1 1  -11    3    7 o  195.070   4.5167  376.254   17.512 -23.58665 9.033445 
1 1 1  -11    3    9 o  275.839   4.0666  758.842   22.379 -12.89890 8.133151 
1 1 1  -11    3   10 o  343.407   4.1770  1179.45   28.668 -6.999939 8.353925 
1 1 1  -11    3   11 o  219.367   4.3807  479.822   19.178 -15.19749 8.761497 
1 1 1  -11    3   12 o  323.453   4.1062  1047.33   26.561 4.956604 8.212338 
1 1 1  -11    3   13 o  481.408   5.0419  2321.34   48.542 -3.474518 10.08377 
1 1 1  -11    3   14 o  438.777   4.7380  1928.70   41.578 -0.3890381 9.475995 
1 1 1  -11    3   15 o  138.147   6.0803  191.885   16.748 -12.27740 12.16060 
1 1 1  -11    3   16 o  406.881   3.9186  1646.30   29.743 7.717041 7.837192 
1 1 1  -11    3   17 o  120.801   5.9266  147.304   13.102 -1.829124 11.85315 
1 1 1  -11    3   18 o   94.504   5.8827   90.997   10.956 -13.03724 11.76546 
1 1 1  -11    3   19 o  125.679   4.4866  158.047   11.266 5.556145 8.973109 
1 1 1  -11    3   20 o  330.262   2.9298  1092.11   19.345 3.463165 5.859505 
1 1 1  -11    3   21 o  206.761   3.0341  428.058   12.536 2.205887 6.068168 
1 1 1  -11    3   22 o   96.911   5.4230   94.586   10.499 -1.213272 10.84593 
1 1 1  -11    3   23 o  107.610   4.8687  117.312   10.398 -14.04796 9.737406 
1 1 1  -11    3   24 o  103.073   4.9584  107.158   10.202 -7.226471 9.916896 
1 1 1  -11    3   25 o  125.253   4.4836  158.314   11.198 -10.05335 8.967172 
1 1 1  -11    3   27 o   28.545   8.8985  -3.6544   9.9538 -2.431896 17.79706 
1 1 1  -11    3   28 o   32.341   9.4870   3.5414   10.115 3.485046 18.97400 
1 1 1  -11    3   30 o  170.142   3.3174  291.098   11.278 2.071335 6.634801 
1 1 1  -11    3   31 o   78.143   6.8813   62.849   10.671 -7.511391 13.76265 
1 1 1  -11    3   32 o  113.913   4.7756  131.386   10.852 6.184036 9.551202 
1 1 1  -11    3   33 o   97.759   5.6184   96.379   10.903 16.63200 11.23681 
1 1 1  -11    3   34 f   37.048   9.6151   9.0500   10.715 -17.12829 19.23017 
1 1 1  -11    3   35 o   80.995   6.8987   67.446   11.141 2.719238 13.79741 
1 1 1  -11    3   36 o   49.971   10.105   27.208   10.595 -1.804287 20.21074 
1 1 1  -11    4    4 o  174.449   6.3407  304.622   22.122      ?      ? 
1 1 1  -11    4    5 o  328.473   5.6304  1079.78   36.989      ?      ? 
1 1 1  -11    4    6 o  337.193   4.0612  1131.94   27.284 -19.49728 8.122307 
1 1 1  -11    4    7 o  166.564   5.5396  265.396   16.984 -93.00518 11.07919 
1 1 1  -11    4    8 o  350.739   4.2386  1229.90   29.715 16.25516 8.477165 
1 1 1  -11    4    9 o  581.686   5.8794  3384.45   68.322 -16.42511 11.75886 
1 1 1  -11    4   10 o  296.086   4.0719  877.457   24.110 -1.873413 8.143847 
1 1 1  -11    4   11 o  262.615   4.1106  690.473   21.581 10.05191 8.221251 
1 1 1  -11    4   12 o  506.575   5.2456  2569.84   53.137 8.302063 10.49126 
1 1 1  -11    4   13 o  236.061   4.2354  557.052   19.980 -10.18456 8.470857 
1 1 1  -11    4   14 o  226.895   4.2911  515.313   19.454 13.78789 8.582149 
1 1 1  -11    4   15 o  218.452   3.6839  482.710   15.070 -6.615280 7.367847 
1 1 1  -11    4   16 o  203.654   3.7991  410.910   14.488 6.039139 7.598230 
1 1 1  -11    4   17 o  168.769   4.3973  285.556   13.780 -0.2753143 8.794634 
1 1 1  -11    4   18 o  203.258   6.5912  414.240   26.794      ?      ? 
1 1 1  -11    4   19 o  154.574   3.7500  239.598   11.558 -1.904388 7.499933 
1 1 1  -11    4   20 o  171.732   3.4670  295.109   11.880 3.969147 6.934087 
1 1 1  -11    4   21 o  191.273   3.1240  366.736   11.928 -1.800339 6.248021 
1 1 1  -11    4   22 o  163.754   3.4022  268.954   11.132 -1.279785 6.804395 
1 1 1  -11    4   23 o   78.078   6.4129   61.665   9.9998 5.702835 12.82584 
1 1 1  -11    4   24 o  127.462   4.0706  163.509   10.354 -9.918236 8.141109 
1 1 1  -11    4   25 o  169.461   3.5595  287.873   12.058 1.330460 7.118959 
1 1 1  -11    4   27 o  107.092   4.7554  115.661   10.176 -6.340767 9.510859 
1 1 1  -11    4   28 o   42.015   10.125   18.270   10.191 1.005070 20.25044 
1 1 1  -11    4   29 o  187.800   3.1618  355.284   11.811 -17.96503 6.323531 
1 1 1  -11    4   30 o  184.828   3.1487  341.739   11.595 10.55606 6.297482 
1 1 1  -11    4   31 o  111.051   4.8214  125.254   10.642 -8.608215 9.642721 
1 1 1  -11    4   32 o   71.261   7.7445   53.929   10.611 -14.95493 15.48896 
1 1 1  -11    4   33 o   41.858   10.283   17.264   10.590 -3.638451 20.56564 
1 1 1  -11    4   34 o   30.189   9.3196  -1.3702   10.632 -0.6010342 18.63927 
1 1 1  -11    4   35 o  237.115   2.9861  565.395   14.159 -0.5226135 5.972109 
1 1 1  -11    4   36 o  105.789   5.1800  113.993   10.870 -17.37673 10.36004 
1 1 1  -11    5    3 o  298.891   5.6486  894.050   33.766      ?      ? 
1 1 1  -11    5    4 o  290.982   5.5483  847.347   32.289      ?      ? 
1 1 1  -11    5    5 o  422.469   6.4287  1786.66   54.318      ?      ? 
1 1 1  -11    5    6 o  377.310   4.3309  1424.95   32.678 7.368500 8.661740 
1 1 1  -11    5    7 o  207.163   4.4783  425.880   18.470 -19.31949 8.956678 
1 1 1  -11    5    8 f  366.702   4.3185  1320.12   31.354 52.27042 8.637023 
1 1 1  -11    5    9 o  444.481   4.7683  1968.31   42.240 -24.94058 9.536573 
1 1 1  -11    5   10 o  198.300   4.5363  393.719   17.989 -3.910339 9.072564 
1 1 1  -11    5   11 f  425.729   4.6414  1814.67   39.516 6.589233 9.282793 
1 1 1  -11    5   12 o  294.435   4.1028  860.474   24.034 -24.08545 8.205626 
1 1 1  -11    5   13 o  270.727   4.1223  734.078   22.314 5.464844 8.244637 
1 1 1  -11    5   14 o   98.732   8.1571   98.297   16.061 7.348602 16.31415 
1 1 1  -11    5   15 o   58.552   10.870   35.331   12.305 2.180927 21.74013 
1 1 1  -11    5   16 o  229.866   3.6086  525.623   15.451 4.036896 7.217143 
1 1 1  -11    5   17 o  394.220   3.8635  1542.04   28.320 9.850342 7.726978 
1 1 1  -11    5   18 o  216.165   3.8722  472.192   15.289 -4.822708 7.744373 
1 1 1  -11    5   19 o  155.717   4.7675  230.984   13.376 17.52403 9.535065 
1 1 1  -11    5   20 o  263.640   2.8335  696.625   14.920 -3.419525 5.666976 
1 1 1  -11    5   21 o   44.049   10.127   19.208   10.201 -0.1010132 20.25455 
1 1 1  -11    5   22 o   68.344   7.6029   48.571   10.021 -10.11909 15.20583 
1 1 1  -11    5   23 o   41.282   9.9258   16.168   9.8771 5.625988 19.85158 
1 1 1  -11    5   24 f   26.917   8.6215  -8.0807   10.074 3.614717 17.24297 
1 1 1  -11    5   26 o   80.430   6.6776   66.394   10.716 -5.679741 13.35519 
1 1 1  -11    5   27 o  151.078   3.5481  229.542   10.715 -5.862671 7.096136 
1 1 1  -11    5   28 o   41.836   9.9089   18.299   10.132 -9.910511 19.81789 
1 1 1  -11    5   29 o  121.136   4.3644  146.753   10.527 6.929329 8.728806 
1 1 1  -11    5   30 o   93.393   5.5348   88.973   10.297 -1.918709 11.06953 
1 1 1  -11    5   31 o  211.720   3.0345  448.672   12.831 10.96057 6.069039 
1 1 1  -11    5   32 o   47.834   10.145   24.461   10.456 4.349094 20.29086 
1 1 1  -11    5   33 o  165.891   3.5273  278.084   11.664 -8.041901 7.054618 
1 1 1  -11    5   34 o   94.950   5.8050   93.435   10.869 -12.43472 11.61010 
1 1 1  -11    5   35 o   32.394   9.7082   1.9012   10.906 0.4841957 19.41634 
1 1 1  -11    5   36 o   75.134   6.8982   58.862   10.293 -9.190704 13.79635 
1 1 1  -11    6    3 o  832.413   11.539  6952.06  192.098      ?      ? 
1 1 1  -11    6    4 o  508.600   7.3962  2590.32   75.234      ?      ? 
1 1 1  -11    6    5 o  394.132   6.2372  1554.94   49.165      ?      ? 
1 1 1  -11    6    6 o  388.422   6.1724  1510.15   47.950      ?      ? 
1 1 1  -11    6    7 f  331.358   4.1507  1096.11   27.469 23.02246 8.301434 
1 1 1  -11    6    8 o  356.630   4.2459  1272.65   30.268 -2.912506 8.491850 
1 1 1  -11    6    9 o  749.911   7.4043  5634.97  110.921 -21.65955 14.80863 
1 1 1  -11    6   10 o  411.579   4.5593  1695.89   37.519 -4.557373 9.118683 
1 1 1  -11    6   11 o  302.871   4.0901  918.354   24.770 1.246094 8.180260 
1 1 1  -11    6   12 o  337.606   4.1775  1139.29   28.163 -9.518951 8.354901 
1 1 1  -11    6   13 o  252.313   4.1003  636.651   20.675 13.74991 8.200538 
1 1 1  -11    6   14 o  177.205   4.8130  314.522   17.053 -5.326447 9.626041 
1 1 1  -11    6   15 o   46.842   10.036   22.009   12.356 -25.35975 20.07138 
1 1 1  -11    6   16 o  367.241   3.7076  1348.06   25.447 1.855164 7.415289 
1 1 1  -11    6   17 o  153.096   4.8153  240.645   13.434 -9.323944 9.630504 
1 1 1  -11    6   18 o  359.079   3.7209  1297.57   25.007 -4.976471 7.441759 
1 1 1  -11    6   19 o  310.015   3.6137  960.555   20.596 1.900330 7.227448 
1 1 1  -11    6   20 o   83.682   9.0174   78.211   12.239 -15.58419 18.03481 
1 1 1  -11    6   21 o  295.201   2.7707  872.387   16.345 3.720306 5.541489 
1 1 1  -11    6   22 o  121.811   4.2480  149.272   10.328 -3.173981 8.496063 
1 1 1  -11    6   23 o   80.633   6.1800   65.968   9.9239 -7.948372 12.35998 
1 1 1  -11    6   24 o  145.991   3.7918  214.521   11.044 -13.26413 7.583642 
1 1 1  -11    6   26 o  131.419   4.9389  170.882   12.293 -8.386673 9.877827 
1 1 1  -11    6   27 o   47.503   9.8807   23.862   10.028 4.248386 19.76139 
1 1 1  -11    6   28 o   65.857   8.0461   44.708   10.350 7.739765 16.09218 
1 1 1  -11    6   29 o   25.198   8.3193 -13.0425   10.317 1.921133 16.63870 
1 1 1  -11    6   30 o   52.249   9.5895   30.219   10.239 -10.31655 19.17898 
1 1 1  -11    6   31 o  108.864   5.0047  119.298   10.863 11.90010 10.00941 
1 1 1  -11    6   32 o   71.296   7.4409   52.276   10.576 1.412750 14.88188 
1 1 1  -11    6   33 o   96.388   5.6509   94.100   10.856 9.919518 11.30184 
1 1 1  -11    6   34 o   76.007   7.1838   60.470   10.756 -10.50310 14.36762 
1 1 1  -11    6   35 o   60.705   9.1560   39.519   10.757 6.564259 18.31191 
1 1 1  -11    6   36 o   66.782   11.086   53.573   13.593 -2.245323 22.17166 
1 1 1  -11    7    3 o  328.576   5.7767  1080.55   37.962      ?      ? 
1 1 1  -11    7    4 o  364.080   6.0327  1326.77   43.928      ?      ? 
1 1 1  -11    7    5 o  478.964   7.1131  2296.91   68.139      ?      ? 
1 1 1  -11    7    6 o  273.776   5.5787  750.091   30.546      ?      ? 
1 1 1  -11    7    7 o  256.181   4.0864  642.603   20.704 -40.41945 8.172727 
1 1 1  -11    7    8 o  157.706   5.5204  245.910   17.136 -39.60716 11.04075 
1 1 1  -11    7    9 f  650.571   6.4990  4244.77   84.561 2.086365 12.99806 
1 1 1  -11    7   10 o  471.536   4.9933  2225.88   47.077 9.395599 9.986650 
1 1 1  -11    7   11 o  343.292   4.1954  1178.81   28.792 12.38187 8.390815 
1 1 1  -11    7   12 o  299.962   4.0620  899.732   24.347 -8.927094 8.124081 
1 1 1  -11    7   13 o  153.227   5.3656  235.378   16.434 -6.590210 10.73123 
1 1 1  -11    7   14 f  458.821   4.2044  2102.46   36.185 3.624390 8.408789 
1 1 1  -11    7   15 o  145.598   5.0019  226.909   12.931 -23.46750 10.00383 
1 1 1  -11    7   16 o  214.568   3.7419  467.474   14.733 -7.672791 7.483840 
1 1 1  -11    7   17 o   28.398   9.4215 -15.8516   12.343 5.486731 18.84297 
1 1 1  -11    7   18 o  126.442   5.5694  152.882   12.740 13.63696 11.13880 
1 1 1  -11    7   19 o  162.771   4.5839  268.644   13.185 -3.776840 9.167738 
1 1 1  -11    7   20 o  188.192   3.9718  351.691   13.521 4.132202 7.943552 
1 1 1  -11    7   21 f   73.004   7.2990   56.033   10.082 -17.43485 14.59800 
1 1 1  -11    7   22 o  219.574   2.8367  483.163   12.452 0.8740540 5.673365 
1 1 1  -11    7   23 o  172.505   3.2329  298.634   11.147 -2.639999 6.465843 
1 1 1  -11    7   24 o   87.152   9.1270   77.047   15.909      ?      ? 
1 1 1  -11    7   25 o  144.039   5.6401  208.032   16.248      ?      ? 
1 1 1  -11    7   26 o   36.210   10.269   5.3743   11.324 -11.04685 20.53785 
1 1 1  -11    7   27 o  135.291   3.9022  184.646   10.523 -3.386215 7.804452 
1 1 1  -11    7   28 o   80.686   9.2195   65.642   14.878      ?      ? 
1 1 1  -11    7   29 o   38.161   14.292   12.288   14.715      ?      ? 
1 1 1  -11    7   30 o   46.697   8.8198   21.526   10.315 -32.94398 17.63967 
1 1 1  -11    7   31 o   32.897   9.6295   3.3159   10.620 -6.261017 19.25893 
1 1 1  -11    7   32 o   28.518   8.9632  -6.4203   10.473 8.366289 17.92633 
1 1 1  -11    7   33 o  163.917   3.5741  271.438   11.673 -3.988556 7.148284 
1 1 1  -11    7   34 o   78.771   7.0811   65.004   10.962 -12.65016 14.16222 
1 1 1  -11    7   35 o   87.665   6.2070   78.277   10.836 0.8762741 12.41398 
1 1 1  -11    8    2 o  508.684   7.4221  2591.15   75.510      ?      ? 
1 1 1  -11    8    3 o  357.113   6.0062  1276.42   42.898      ?      ? 
1 1 1  -11    8    4 o  228.873   5.8762  524.259   26.898      ?      ? 
1 1 1  -11    8    5 o  206.769   5.8381  427.888   24.143      ?      ? 
1 1 1  -11    8    6 o  149.838   7.3811  224.843   22.120      ?      ? 
1 1 1  -11    8    7 o  170.032   4.9798  286.191   16.769 -33.50443 9.959692 
1 1 1  -11    8    8 o  478.618   5.0159  2294.75   48.013 3.614014 10.03188 
1 1 1  -11    8    9 o  235.883   4.1989  554.732   19.760 -13.56917 8.397880 
1 1 1  -11    8   10 o  332.164   4.1261  1094.62   27.282 32.58829 8.252167 
1 1 1  -11    8   11 o  122.415   6.8024  150.272   16.558 -17.79503 13.60474 
1 1 1  -11    8   12 o   80.967   10.036   67.177   15.908 3.872681 20.07202 
1 1 1  -11    8   13 o  357.676   4.1870  1281.11   29.949 6.481476 8.374038 
1 1 1  -11    8   14 o  356.289   3.6243  1262.13   24.040 6.671417 7.248599 
1 1 1  -11    8   15 f  161.865   4.4349  263.532   13.110 -1.581436 8.869783 
1 1 1  -11    8   16 o  176.234   4.2224  316.132   13.511 -6.867783 8.444771 
1 1 1  -11    8   17 o  282.059   3.5324  809.494   18.425 -12.26877 7.064857 
1 1 1  -11    8   18 f   67.857   10.277   52.398   12.296 -16.02768 20.55399 
1 1 1  -11    8   19 o  210.237   3.8127  447.749   14.430 -5.186050 7.625468 
1 1 1  -11    8   20 o   59.948   10.283   40.280   11.657 -13.49578 20.56505 
1 1 1  -11    8   21 o   26.063   8.8146 -19.3344   11.613 5.534439 17.62922 
1 1 1  -11    8   22 o   65.111   7.9408   44.492   9.9643 -13.00354 15.88167 
1 1 1  -11    8   23 o  121.306   4.4308  148.641   10.695 -5.027580 8.861664 
1 1 1  -11    8   25 o   26.293   8.6112 -12.8751   10.913 -3.680315 17.22237 
1 1 1  -11    8   26 o  279.389   2.7735  782.320   15.480 5.309753 5.546920 
1 1 1  -11    8   27 o   35.731   14.096   9.3769   14.820      ?      ? 
1 1 1  -11    8   29 o  109.098   4.7482  120.544   10.352 5.739357 9.496482 
1 1 1  -11    8   30 f   44.236   10.034   18.928   10.514 15.11738 20.06826 
1 1 1  -11    8   31 o  132.887   4.2051  179.859   11.097 -8.571304 8.410190 
1 1 1  -11    8   32 o   76.506   6.9580   60.112   10.608 2.644363 13.91604 
1 1 1  -11    8   33 o   39.798   10.118   14.303   10.722 -10.35788 20.23607 
1 1 1  -11    8   34 o   51.587   10.149   29.303   10.846 0.7757378 20.29823 
1 1 1  -11    8   35 o   53.648   9.7527   31.292   10.565 -7.030613 19.50547 
1 1 1  -11    9    2 o  495.445   7.2717  2457.77   72.054      ?      ? 
1 1 1  -11    9    3 o  319.805   5.7324  1023.58   36.665      ?      ? 
1 1 1  -11    9    4 o  339.895   5.7998  1156.32   39.427      ?      ? 
1 1 1  -11    9    5 o  420.607   6.3906  1771.29   53.759      ?      ? 
1 1 1  -11    9    6 o  362.677   5.8678  1316.90   42.562      ?      ? 
1 1 1  -11    9    7 o  196.752   4.4798  387.611   17.561 -0.1474762 8.959669 
1 1 1  -11    9    8 o  255.628   4.0252  653.149   20.518 -4.739151 8.050324 
1 1 1  -11    9    9 o  365.059   4.2469  1333.67   30.985 -4.110413 8.493733 
1 1 1  -11    9   10 f  366.387   4.2616  1344.35   31.223 2.232452 8.523271 
1 1 1  -11    9   11 o  375.004   4.2906  1408.36   32.179 4.114166 8.581218 
1 1 1  -11    9   12 o   95.247   8.1247   90.952   15.363 -16.07070 16.24942 
1 1 1  -11    9   13 o  250.972   3.9638  629.320   19.871 -15.61784 7.927593 
1 1 1  -11    9   14 o  297.974   3.4582  883.531   19.037 4.661530 6.916403 
1 1 1  -11    9   15 o  573.036   5.0486  3252.89   53.542 17.92969 10.09713 
1 1 1  -11    9   16 o  265.899   3.5804  718.627   17.484 -10.32904 7.160897 
1 1 1  -11    9   17 o  131.779   5.3116  166.954   12.594 12.32030 10.62316 
1 1 1  -11    9   18 o  189.056   4.1926  372.940   14.023 -17.12753 8.385157 
1 1 1  -11    9   19 o  450.099   4.1945  2005.30   34.741 14.74637 8.389096 
1 1 1  -11    9   20 o   47.123   13.734   23.130   13.731      ?      ? 
1 1 1  -11    9   21 o  218.878   3.6365  475.379   14.470 5.572922 7.273092 
1 1 1  -11    9   22 o  238.638   3.5198  569.221   15.320 2.017532 7.039670 
1 1 1  -11    9   23 o  104.482   7.0880  110.326   14.811      ?      ? 
1 1 1  -11    9   24 o  209.414   4.3649  439.051   18.281      ?      ? 
1 1 1  -11    9   25 f  141.165   3.9494  202.047   11.073 -12.25250 7.898752 
1 1 1  -11    9   26 o  104.245   4.9103  109.987   10.214 -4.971558 9.820653 
1 1 1  -11    9   28 o   64.997   12.157   44.934   15.217      ?      ? 
1 1 1  -11    9   29 o  159.378   3.4978  256.178   11.138 -7.313416 6.995657 
1 1 1  -11    9   30 o  150.861   5.0451  228.744   15.222      ?      ? 
1 1 1  -11    9   31 o   47.096   9.8662   23.867   10.432 -14.21713 19.73236 
1 1 1  -11    9   32 o  122.925   4.4801  152.661   10.988 3.042946 8.960220 
1 1 1  -11    9   33 o   35.984   9.9900   8.9115   10.644 -4.528774 19.97993 
1 1 1  -11    9   34 o   57.507   9.3674   36.422   10.681 -15.50809 18.73481 
1 1 1  -11    9   35 o   33.205   9.5685   4.5210   10.328 7.462820 19.13697 
1 1 1  -11   10    1 o  378.472   6.0826  1433.94   46.042      ?      ? 
1 1 1  -11   10    2 o  532.640   7.7108  2842.17   82.142      ?      ? 
1 1 1  -11   10    3 o  286.827   5.6701  823.560   32.527      ?      ? 
1 1 1  -11   10    4 o  490.007   7.1555  2405.30   70.125      ?      ? 
1 1 1  -11   10    5 o  268.383   5.4616  721.031   29.316      ?      ? 
1 1 1  -11   10    6 o  278.538   5.4931  776.591   30.601      ?      ? 
1 1 1  -11   10    7 f  659.068   6.5526  4346.20   86.237 23.96472 13.10514 
1 1 1  -11   10    8 o  675.975   6.7117  4583.43   90.739 0.6738281 13.42343 
1 1 1  -11   10    9 o  190.482   4.5924  360.261   17.419 -20.86465 9.184891 
1 1 1  -11   10   10 o  187.638   4.5214  352.700   16.958 0.3295746 9.042873 
1 1 1  -11   10   11 o  385.915   4.3337  1490.17   33.428 11.79276 8.667486 
1 1 1  -11   10   12 f  418.226   4.5276  1751.74   37.855 -6.722900 9.055211 
1 1 1  -11   10   13 o  114.919   6.5347  132.817   15.003 -4.721565 13.06934 
1 1 1  -11   10   14 f  210.626   3.6707  446.362   14.056 -2.454453 7.341470 
1 1 1  -11   10   15 o  159.614   4.5249  260.551   12.888 -7.447495 9.049758 
1 1 1  -11   10   16 o  207.089   3.7886  423.973   14.125 6.068237 7.577110 
1 1 1  -11   10   17 o   70.424   9.5501   70.262   12.039 -50.39394 19.10027 
1 1 1  -11   10   18 o  322.374   3.5740  1040.68   21.188 0.6163635 7.148066 
1 1 1  -11   10   19 o  102.052   7.3794  123.323   11.999 -33.35306 14.75886 
1 1 1  -11   10   20 o  178.884   4.0578  326.735   12.932 -7.138504 8.115606 
1 1 1  -11   10   21 o  249.604   3.4667  615.662   15.674 8.564468 6.933329 
1 1 1  -11   10   22 o  114.989   6.0762  140.371   12.123 -12.62533 12.15243 
1 1 1  -11   10   23 o  142.570   5.1317  181.254   13.383 39.08707 10.26333 
1 1 1  -11   10   24 o  182.592   4.6609  334.560   17.021      ?      ? 
1 1 1  -11   10   25 o  134.932   3.9784  182.984   10.727 3.614487 7.956753 
1 1 1  -11   10   26 o   43.185   10.130   19.121   10.207 -0.9942665 20.25970 
1 1 1  -11   10   28 o   55.824   9.8319   33.697   10.978 10.86271 19.66375 
1 1 1  -11   10   29 o   21.661   7.4622 -26.2167   10.523 -1.347130 14.92442 
1 1 1  -11   10   30 o   26.602   8.6428 -11.0278   10.509 6.727222 17.28569 
1 1 1  -11   10   31 o  125.392   4.3573  158.635   10.878 2.728271 8.714614 
1 1 1  -11   10   32 o  127.822   4.3960  164.614   11.211 10.66206 8.791989 
1 1 1  -11   10   33 o   35.176   9.9802   7.4150   10.680 0.4137764 19.96048 
1 1 1  -11   10   34 o  137.499   4.1386  190.745   11.359 -0.4830780 8.277277 
1 1 1  -11   10   35 f   89.810   5.8577   88.091   10.301 -23.61514 11.71549 
1 1 1  -11   11    1 o  402.914   6.2655  1625.59   50.489      ?      ? 
1 1 1  -11   11    2 o  522.562   7.5679  2736.01   79.094      ?      ? 
1 1 1  -11   11    3 f  491.930   7.2247  2424.10   71.081      ?      ? 
1 1 1  -11   11    4 o  679.879   9.5188  4635.66  129.432      ?      ? 
1 1 1  -11   11    5 o  389.714   6.1221  1520.56   47.717      ?      ? 
1 1 1  -11   11    6 o  306.323   5.5827  939.309   34.202      ?      ? 
1 1 1  -11   11    7 o  349.708   4.1446  1224.53   28.987 1.674042 8.289200 
1 1 1  -11   11    8 o  351.944   4.1481  1240.21   29.194 8.170715 8.296138 
1 1 1  -11   11    9 o  306.224   3.9778  938.558   24.342 -3.304871 7.955519 
1 1 1  -11   11   10 o  456.913   4.8313  2089.21   44.097 -12.14227 9.662519 
1 1 1  -11   11   11 o   99.747   7.2653  100.055   14.484 -4.223175 14.53059 
1 1 1  -11   11   12 o  235.478   3.9250  555.443   18.479 -7.708694 7.849943 
1 1 1  -11   11   13 o  259.209   3.8868  671.261   20.093 8.818008 7.773533 
1 1 1  -11   11   14 o  309.361   3.4588  957.817   19.732 0.3519897 6.917634 
1 1 1  -11   11   15 o   48.286   10.888   24.312   11.754 -9.101475 21.77582 
1 1 1  -11   11   16 o  389.552   3.8134  1504.10   27.317 10.59091 7.626772 
1 1 1  -11   11   17 o   84.474   8.9367   88.186   11.543 -32.74436 17.87343 
1 1 1  -11   11   18 o  248.697   3.4205  618.521   15.532 1.132446 6.840950 
1 1 1  -11   11   19 o   99.380   6.5784  106.935   11.274 -15.71783 13.15672 
1 1 1  -11   11   20 o  157.977   4.1639  248.846   11.880 2.523285 8.327870 
1 1 1  -11   11   21 o  121.147   5.4673  150.849   11.692 -5.480293 10.93470 
1 1 1  -11   11   23 f  252.524   6.5041  639.331   32.849      ?      ? 
1 1 1  -11   11   24 f   35.441   10.670   3.4640   12.053 3.294598 21.34035 
1 1 1  -11   11   25 o   31.444   9.4586   0.9191   10.392 1.409971 18.91730 
1 1 1  -11   11   26 o   38.780   10.184   9.6291   11.500 17.08092 20.36843 
1 1 1  -11   11   27 o   44.677   15.805   18.477   17.696      ?      ? 
1 1 1  -11   11   28 o   49.081   10.039   25.490   10.703 14.54829 20.07808 
1 1 1  -11   11   29 o   85.792   6.4256   75.149   10.750 24.83218 12.85121 
1 1 1  -11   11   30 o   96.413   5.5933   96.238   10.619 -12.78517 11.18657 
1 1 1  -11   11   31 o  139.426   3.9296  196.300   10.897 -0.4085541 7.859121 
1 1 1  -11   11   32 o   53.511   9.8002   31.668   10.544 0.2503738 19.60045 
1 1 1  -11   11   33 o   54.004   9.6436   32.992   10.652 -15.11781 19.28715 
1 1 1  -11   11   34 o  139.805   4.0373  198.676   11.201 -14.99687 8.074574 
1 1 1  -11   12    1 o  537.002   7.7093  2889.15   82.798      ?      ? 
1 1 1  -11   12    2 o  627.774   8.8449  3950.90  111.052      ?      ? 
1 1 1  -11   12    3 o  420.270   6.3680  1768.64   53.526      ?      ? 
1 1 1  -11   12    4 o  346.872   5.7036  1204.56   39.568      ?      ? 
1 1 1  -11   12    5 f  225.266   5.6599  508.049   25.500      ?      ? 
1 1 1  -11   12    6 o  327.967   5.5997  1076.95   36.730      ?      ? 
1 1 1  -11   12    7 o  174.719   4.5464  306.017   15.875 6.477325 9.092867 
1 1 1  -11   12    8 f  348.929   4.0655  1218.50   28.357 -6.568207 8.130952 
1 1 1  -11   12    9 o  385.109   4.2761  1485.59   32.935 2.495789 8.552100 
1 1 1  -11   12   10 o  403.361   4.3813  1630.05   35.343 2.791168 8.762502 
1 1 1  -11   12   11 o  212.639   3.9575  453.018   16.827 -4.566437 7.914905 
1 1 1  -11   12   12 o  174.861   4.4752  306.888   15.625 -4.902466 8.950417 
1 1 1  -11   12   13 o  303.110   3.8949  920.278   23.583 1.268066 7.789725 
1 1 1  -11   12   14 o  140.987   4.7882  196.070   12.081 4.960373 9.576321 
1 1 1  -11   12   15 o  246.034   3.5285  608.497   15.678 -2.113235 7.056968 
1 1 1  -11   12   16 o  219.553   3.5804  483.926   14.067 -0.9151917 7.160861 
1 1 1  -11   12   17 o  146.775   4.5475  223.455   11.613 -10.44186 9.094901 
1 1 1  -11   12   18 o  160.118   4.3398  256.918   13.898      ?      ? 
1 1 1  -11   12   19 o  188.217   3.7880  355.983   12.615 -0.7711792 7.576091 
1 1 1  -11   12   20 o  139.825   4.6436  189.330   11.378 10.41316 9.287244 
1 1 1  -11   12   21 f   80.152   9.1138   81.502   11.356 -34.99623 18.22767 
1 1 1  -11   12   22 f  321.675   6.0745  1037.45   39.080      ?      ? 
1 1 1  -11   12   23 o   23.140   8.0122 -33.1620   12.482 -0.9859943 16.02443 
1 1 1  -11   12   24 o  144.989   5.0933  213.859   12.517 -2.707581 10.18669 
1 1 1  -11   12   25 o   29.967   9.7842 -10.1061   12.433 5.837622 19.56839 
1 1 1  -11   12   27 o   90.412   9.4371   83.842   17.065      ?      ? 
1 1 1  -11   12   28 o  224.665   2.9857  507.207   13.407 1.083176 5.971484 
1 1 1  -11   12   29 f  137.467   4.0579  190.873   11.138 -5.595474 8.115819 
1 1 1  -11   12   30 o   31.320   9.4362   1.0997   10.403 -0.8863430 18.87238 
1 1 1  -11   12   31 o   70.005   7.8368   52.355   10.504 -10.46545 15.67356 
1 1 1  -11   12   32 o   45.956   10.253   22.612   10.743 -7.980892 20.50658 
1 1 1  -11   12   33 o   58.177   9.5753   36.460   10.920 8.207256 19.15058 
1 1 1  -11   12   34 o   42.007   9.7468   17.345   10.292 -16.96698 19.49356 
1 1 1  -11   13    1 o  249.855   5.4685  624.977   27.326      ?      ? 
1 1 1  -11   13    2 o  243.213   5.4153  592.194   26.341      ?      ? 
1 1 1  -11   13    3 o  250.639   5.3338  628.907   26.737      ?      ? 
1 1 1  -11   13    4 o  240.869   5.3376  580.854   25.713      ?      ? 
1 1 1  -11   13    5 o  295.095   5.3405  871.857   31.519      ?      ? 
1 1 1  -11   13    6 o  337.874   5.5716  1143.14   37.650      ?      ? 
1 1 1  -11   13    7 o  472.504   4.8913  2235.55   46.199 12.54633 9.782536 
1 1 1  -11   13    8 o  277.491   3.7926  770.484   21.040 9.719727 7.585177 
1 1 1  -11   13    9 o   73.989   9.7245   58.028   13.807 -21.25102 19.44890 
1 1 1  -11   13   10 o  202.615   3.9309  411.275   15.928 -3.281540 7.861780 
1 1 1  -11   13   11 o   36.630   10.845   2.4510   13.330 0.2067490 21.69053 
1 1 1  -11   13   12 f  248.815   3.8268  619.130   19.014 7.308548 7.653554 
1 1 1  -11   13   13 o  175.799   4.4618  306.801   15.598 15.80835 8.923666 
1 1 1  -11   13   14 o  218.738   3.5668  481.565   14.068 -2.484726 7.133566 
1 1 1  -11   13   15 o   48.104   10.306   25.519   10.982 -13.30189 20.61135 
1 1 1  -11   13   16 o  182.292   3.8356  334.384   12.260 -1.558167 7.671301 
1 1 1  -11   13   17 o   95.682   7.1234  106.525   10.728 -26.10635 14.24671 
1 1 1  -11   13   18 o  158.923   4.1983  262.548   11.659 -12.12086 8.396616 
1 1 1  -11   13   19 o  152.134   4.3312  228.824   11.474 4.766190 8.662371 
1 1 1  -11   13   20 o  128.583   5.1109  163.889   11.230 3.655502 10.22187 
1 1 1  -11   13   22 o  213.378   3.8820  413.739   14.570 40.94028 7.763964 
1 1 1  -11   13   23 o  131.847   5.2837  176.333   11.978 -1.602402 10.56733 
1 1 1  -11   13   24 o  217.412   3.7422  456.564   14.286 17.21291 7.484454 
1 1 1  -11   13   25 o   99.380   8.9717  124.161   13.482 -42.59438 17.94331 
1 1 1  -11   13   26 o   27.014   9.2667 -36.3802   13.581 15.19618 18.53345 
1 1 1  -11   13   27 o  122.545   6.0422  161.582   13.136 -16.59641 12.08438 
1 1 1  -11   13   28 o  111.458   4.8247  126.174   10.687 -10.22258 9.649446 
1 1 1  -11   13   29 o   55.313   13.625   33.728   14.994      ?      ? 
1 1 1  -11   13   30 o   74.869   10.194   57.876   15.264      ?      ? 
1 1 1  -11   13   31 o   27.377   8.7475  -7.2289   10.161 6.348036 17.49505 
1 1 1  -11   13   32 o   49.093   10.248   26.333   10.735 -1.021206 20.49600 
1 1 1  -11   13   33 o  110.166   4.9288  123.243   10.823 -5.050369 9.857512 
1 1 1  -11   14    1 o  360.313   4.1468  1300.54   29.866 3.245361 8.293560 
1 1 1  -11   14    2 o  263.366   5.2051  694.438   27.417      ?      ? 
1 1 1  -11   14    3 o  392.432   6.0045  1542.50   47.127      ?      ? 
1 1 1  -11   14    4 o  413.829   6.2330  1715.57   51.588      ?      ? 
1 1 1  -11   14    5 o  262.669   5.2364  690.839   27.509      ?      ? 
1 1 1  -11   14    6 o  205.220   5.5644  421.800   22.839      ?      ? 
1 1 1  -11   14    7 o  100.549   6.7369  101.676   13.535 -3.542534 13.47379 
1 1 1  -11   14    8 o  126.055   5.5411  159.574   13.949 -2.190041 11.08222 
1 1 1  -11   14    9 o  183.226   4.0815  336.440   14.954 -3.713638 8.163047 
1 1 1  -11   14   10 o  127.381   5.4068  162.306   13.740 12.58513 10.81350 
1 1 1  -11   14   11 o  286.475   3.7759  819.769   21.570 9.995056 7.551775 
1 1 1  -11   14   12 f  164.252   5.0260  278.848   15.387 -75.43614 10.05193 
1 1 1  -11   14   13 o  285.425   3.8254  816.414   21.785 0.9279785 7.650845 
1 1 1  -11   14   14 o  167.952   4.0179  287.365   11.804 -5.686874 8.035830 
1 1 1  -11   14   15 o  227.530   3.4165  530.451   13.919 -11.91808 6.832905 
1 1 1  -11   14   16 o  137.809   4.7253  202.510   10.946 -16.55620 9.450605 
1 1 1  -11   14   17 o  210.877   3.4662  449.155   12.950 -3.521988 6.932443 
1 1 1  -11   14   18 o  162.735   4.1757  274.978   11.688 -11.24423 8.351421 
1 1 1  -11   14   19 o  372.994   3.6668  1378.92   25.080 11.35629 7.333689 
1 1 1  -11   14   20 o   90.387   12.456   84.074   22.516      ?      ? 
1 1 1  -11   14   21 o  194.864   6.8056  380.806   26.523      ?      ? 
1 1 1  -11   14   22 o   36.787   10.081   9.2844   11.181 -8.590755 20.16148 
1 1 1  -11   14   23 o   89.091   7.0388   76.121   11.159 10.96555 14.07769 
1 1 1  -11   14   24 o  186.838   4.0595  370.190   13.522 -20.91862 8.119021 
1 1 1  -11   14   25 o  218.877   3.7626  483.882   15.322 -4.602631 7.525129 
1 1 1  -11   14   26 o  105.565   6.7833  123.063   12.422 -19.57967 13.56655 
1 1 1  -11   14   27 o  195.166   3.9940  389.471   14.119 -7.288773 7.988043 
1 1 1  -11   14   28 o   42.237   10.320   1.1802   11.715 37.07217 20.64043 
1 1 1  -11   14   29 o  121.298   4.3455  149.033   10.479 -2.843727 8.690951 
1 1 1  -11   14   30 o  149.904   3.6527  227.797   10.860 -7.548843 7.305430 
1 1 1  -11   14   31 o  102.805   5.1752  107.033   10.583 4.196655 10.35037 
1 1 1  -11   14   32 o  113.400   4.8399  129.999   10.940 2.924339 9.679799 
1 1 1  -11   14   33 o   27.889   8.7132  -5.2777   9.9675 -7.449028 17.42640 
1 1 1  -11   15    1 o  197.669   4.1889  392.846   16.456 7.359650 8.377839 
1 1 1  -11   15    2 o  261.429   5.2341  684.379   27.367      ?      ? 
1 1 1  -11   15    3 o  555.222   7.8844  3092.48   87.552      ?      ? 
1 1 1  -11   15    4 o  477.765   6.9227  2288.35   66.149      ?      ? 
1 1 1  -11   15    5 o  523.241   7.4889  2746.20   78.369      ?      ? 
1 1 1  -11   15    6 o  373.082   5.8408  1394.60   43.582      ?      ? 
1 1 1  -11   15    7 o  196.525   3.9512  386.555   15.508 3.392197 7.902418 
1 1 1  -11   15    8 o  325.070   3.8376  1058.61   24.949 0.5990601E-01 7.675288 
1 1 1  -11   15    9 o  123.873   5.4655  154.049   13.531 -0.9939575 10.93101 
1 1 1  -11   15   10 o   75.762   9.5140   66.685   13.462 -52.26999 19.02806 
1 1 1  -11   15   11 o  124.819   5.5360  153.509   13.688 20.75798 11.07208 
1 1 1  -11   15   12 o  194.958   4.0745  382.891   15.792 -9.482422 8.149083 
1 1 1  -11   15   13 o  254.579   3.7316  649.443   18.909 1.843948 7.463147 
1 1 1  -11   15   14 o  219.811   3.3989  491.341   13.277 -7.354431 6.797743 
1 1 1  -11   15   15 o  263.934   3.2834  691.523   15.599 5.548248 6.566786 
1 1 1  -11   15   16 o  110.770   5.5428  124.903   10.446 -2.632240 11.08552 
1 1 1  -11   15   17 o  244.284   3.2784  583.003   14.193 13.26303 6.556704 
1 1 1  -11   15   18 o  119.578   5.2354  150.731   10.588 -11.08782 10.47081 
1 1 1  -11   15   19 o  107.386   6.0285  118.974   11.290 -4.493401 12.05696 
1 1 1  -11   15   20 o  161.690   7.2711  262.242   23.513      ?      ? 
1 1 1  -11   15   21 o  295.250   3.4862  878.516   18.897 -1.563171 6.972310 
1 1 1  -11   15   22 o   64.057   9.7886   45.989   10.823 -10.33091 19.57714 
1 1 1  -11   15   23 o  156.286   4.2743  247.319   12.057 -1.383759 8.548570 
1 1 1  -11   15   24 o   86.250   12.034   75.439   20.759      ?      ? 
1 1 1  -11   15   25 o  127.162   5.4201  178.285   12.278 -28.84756 10.84027 
1 1 1  -11   15   26 o  206.869   3.6758  430.499   13.902 0.5022125 7.351584 
1 1 1  -11   15   27 o   73.641   8.8498   47.698   11.844 43.00999 17.69967 
1 1 1  -11   15   28 f   71.892   9.5813   62.034   11.754 -22.31178 19.16263 
1 1 1  -11   15   29 o  151.568   4.7835  240.404   12.821 -11.85075 9.566996 
1 1 1  -11   15   30 f  142.718   4.9091  205.281   12.581 1.915680 9.818271 
1 1 1  -11   15   31 o  112.481   4.9172  128.554   10.977 -0.5435486 9.834404 
1 1 1  -11   15   32 o   74.674   7.1908   57.388   10.677 -1.884995 14.38162 
1 1 1  -11   16    1 o  252.657   3.8196  635.623   19.197 -13.65244 7.639233 
1 1 1  -11   16    2 o  183.706   5.8404  338.140   21.458      ?      ? 
1 1 1  -11   16    3 f  250.086   5.1946  626.414   25.982      ?      ? 
1 1 1  -11   16    4 o  275.950   5.1587  762.689   28.471      ?      ? 
1 1 1  -11   16    5 o  308.277   5.2933  951.968   32.636      ?      ? 
1 1 1  -11   16    6 o  106.088   8.9274  113.099   18.942      ?      ? 
1 1 1  -11   16    7 o   36.930   10.089   0.8413   12.484 -20.31682 20.17854 
1 1 1  -11   16    8 o  125.767   5.2548  159.351   13.133 -16.62225 10.50963 
1 1 1  -11   16    9 o  334.764   3.9025  1121.57   26.101 8.729614 7.804939 
1 1 1  -11   16   10 o   90.923   7.3477   82.567   13.294 10.97797 14.69535 
1 1 1  -11   16   11 o  154.725   4.6100  242.196   14.050 -7.417755 9.219938 
1 1 1  -11   16   12 o  208.429   3.8358  431.779   15.799 11.43469 7.671559 
1 1 1  -11   16   13 o  215.207   3.8098  466.484   16.206 -6.617722 7.619604 
1 1 1  -11   16   14 o   98.596   6.2686  107.345   9.9660 -17.09492 12.53720 
1 1 1  -11   16   15 o  390.027   3.7153  1502.60   26.467 14.35043 7.430579 
1 1 1  -11   16   16 o   79.269   7.3215   62.682   9.8968 2.101059 14.64299 
1 1 1  -11   16   17 o   92.712   6.6897   96.653   10.124 -19.71427 13.37942 
1 1 1  -11   16   19 o  409.443   3.9223  1599.45   28.809 42.84909 7.844543 
1 1 1  -11   16   20 o  278.436   3.4279  794.052   17.780 -15.12445 6.855777 
1 1 1  -11   16   21 o  199.809   3.6623  395.210   12.954 6.055954 7.324555 
1 1 1  -11   16   22 o   48.446   9.7728   27.367   10.366 -16.86429 19.54566 
1 1 1  -11   16   24 o  196.545   6.2593  389.582   24.605      ?      ? 
1 1 1  -11   16   25 o  271.835   3.3569  745.734   16.990 -2.495697 6.713773 
1 1 1  -11   16   26 o   86.800   7.4717   80.979   11.452 -11.03898 14.94343 
1 1 1  -11   16   27 o   62.227   9.5914   50.894   11.535 -33.93527 19.18278 
1 1 1  -11   16   28 o  116.200   5.5805  131.086   11.869 12.67854 11.16093 
1 1 1  -11   16   29 o   39.580   10.833   12.550   11.615 0.8821831 21.66587 
1 1 1  -11   16   30 o  157.068   4.4891  256.737   12.721 -11.47884 8.978114 
1 1 1  -11   16   31 o   80.111   9.1413   78.277   11.819 -28.53542 18.28250 
1 1 1  -11   16   32 o   97.040   6.5754  101.276   11.743 -12.22411 13.15086 
1 1 1  -11   17    1 o  303.674   3.8587  918.716   23.314 -15.71710 7.717433 
1 1 1  -11   17    2 o  291.966   3.8330  854.582   22.361 14.07144 7.665934 
1 1 1  -11   17    3 o  420.319   6.2912  1770.97   52.886      ?      ? 
1 1 1  -11   17    4 o  511.844   7.3628  2628.52   75.372      ?      ? 
1 1 1  -11   17    5 o  351.337   5.6915  1236.84   39.993      ?      ? 
1 1 1  -11   17    6 o  321.681   5.4603  1036.78   35.129      ?      ? 
1 1 1  -11   17    7 o  224.311   3.6638  503.912   16.430 3.267288 7.327506 
1 1 1  -11   17    8 o  208.273   3.7324  435.396   15.525 -7.611145 7.464764 
1 1 1  -11   17    9 o   31.129   9.5192  -8.8512   12.265 -12.81465 19.03833 
1 1 1  -11   17   10 f  188.515   3.8753  354.833   14.483 6.112137 7.750593 
1 1 1  -11   17   11 o  112.585   5.6821  126.121   12.566 6.257874 11.36417 
1 1 1  -11   17   12 o  133.188   5.0641  179.856   13.110 -5.161469 10.12813 
1 1 1  -11   17   13 o  195.785   3.8969  387.580   14.955 -8.035782 7.793813 
1 1 1  -11   17   14 o  206.469   3.3699  430.787   12.057 -3.407227 6.739881 
1 1 1  -11   17   15 o   36.971   9.0451   12.421   9.2987 -14.64700 18.09013 
1 1 1  -11   17   16 o  358.900   3.5299  1271.19   23.059 13.97482 7.059708 
1 1 1  -11   17   17 o  178.385   6.4957  320.828   23.175      ?      ? 
1 1 1  -11   17   18 o  419.981   3.9825  1726.67   30.677 23.38092 7.965071 
1 1 1  -11   17   19 o  121.728   5.7215  170.267   11.675 -34.87574 11.44293 
1 1 1  -11   17   20 o  171.036   3.9719  298.630   11.784 -5.627686 7.943753 
1 1 1  -11   17   21 o  226.448   5.6411  516.278   25.548      ?      ? 
1 1 1  -11   17   22 o   56.630   6.5542   37.877   11.156 -70.32243 13.10843 
1 1 1  -11   17   23 o  250.521   5.4615  630.502   27.364      ?      ? 
1 1 1  -11   17   24 o  197.203   3.6161  407.364   13.147 -22.59560 7.232176 
1 1 1  -11   17   25 o   43.981   16.596   16.258   19.922      ?      ? 
1 1 1  -11   17   26 o   56.912   9.8478   36.864   10.918 -12.24741 19.69569 
1 1 1  -11   17   27 o   91.213   6.9592   89.352   11.187 -10.74368 13.91843 
1 1 1  -11   17   28 o   37.152   10.305   9.8630   11.240 -4.889038 20.61003 
1 1 1  -11   17   29 o   71.675   9.2627   56.597   11.539 -7.274605 18.52531 
1 1 1  -11   17   30 o   65.050   9.7028   47.640   11.367 -10.10141 19.40566 
1 1 1  -11   17   31 o  138.807   4.7019  204.481   11.996 -19.76553 9.403767 
1 1 1  -11   18    1 o  255.244   3.7612  647.326   19.084 -18.30672 7.522460 
1 1 1  -11   18    2 o  273.766   3.7684  752.093   20.597 9.205536 7.536771 
1 1 1  -11   18    3 o  503.112   5.1593  2538.04   51.854 -11.02960 10.31860 
1 1 1  -11   18    4 o  423.875   6.3345  1802.28   53.701      ?      ? 
1 1 1  -11   18    5 o  333.355   5.4987  1114.13   36.661      ?      ? 
1 1 1  -11   18    6 o   95.276   9.5849   91.568   18.264      ?      ? 
1 1 1  -11   18    7 o   44.777   10.815   18.758   11.984 -9.107689 21.63064 
1 1 1  -11   18    8 o  217.558   3.6275  474.579   15.727 -0.2908173 7.255081 
1 1 1  -11   18    9 o  180.699   3.9549  327.167   14.156 1.229462 7.909823 
1 1 1  -11   18   10 o  126.028   5.0794  159.627   12.580 0.1327515 10.15872 
1 1 1  -11   18   11 o  258.722   3.5937  671.955   18.508 -2.512299 7.187356 
1 1 1  -11   18   12 o  171.288   4.1487  298.704   13.914 -13.32524 8.297366 
1 1 1  -11   18   13 o  248.096   3.5780  613.572   17.531 10.21977 7.156015 
1 1 1  -11   18   14 o   79.131   8.4157   79.486   9.3180 -29.81729 16.83130 
1 1 1  -11   18   15 o  293.054   3.2841  857.261   17.331 3.253296 6.568111 
1 1 1  -11   18   16 o  242.713   5.7166  591.821   27.750      ?      ? 
1 1 1  -11   18   17 o  278.672   5.6845  778.102   31.682      ?      ? 
1 1 1  -11   18   18 f   90.140   8.3672  107.648   10.880 -46.40800 16.73437 
1 1 1  -11   18   19 o   92.294   6.1044   80.921   9.6954 10.84179 12.20879 
1 1 1  -11   18   20 o   31.166   9.6323  -2.2400   9.6230 13.23525 19.26456 
1 1 1  -11   18   22 f  265.319   5.3814  706.657   28.556      ?      ? 
1 1 1  -11   18   23 o  122.260   5.0278  164.395   10.974 -27.89309 10.05551 
1 1 1  -11   18   24 o   85.454   8.1509   91.194   10.727 -36.15358 16.30182 
1 1 1  -11   18   25 o  275.745   3.3155  756.603   16.747 6.365784 6.630949 
1 1 1  -11   18   26 o  125.157   5.1296  165.681   11.091 -12.04425 10.25927 
1 1 1  -11   18   27 o   34.135   10.032   5.1692   10.740 0.3214951 20.06334 
1 1 1  -11   18   28 o   29.264   9.4348  -6.6312   11.096 5.882303 18.86954 
1 1 1  -11   18   29 o   43.811   11.134   15.373   11.473 15.86474 22.26879 
1 1 1  -11   18   30 o  122.136   5.1652  147.598   11.650 6.907356 10.33037 
1 1 1  -11   18   31 o   53.945   9.2457   42.389   11.437 -33.30810 18.49138 
1 1 1  -11   19    1 o  167.148   4.3559  284.945   14.307 31.17067 8.711895 
1 1 1  -11   19    2 o  246.109   3.6629  607.031   17.975 -1.495819 7.325845 
1 1 1  -11   19    3 o  220.752   3.7764  486.272   16.605 -11.56523 7.552880 
1 1 1  -11   19    4 o  125.728   7.2183  158.896   18.151      ?      ? 
1 1 1  -11   19    5 o  188.212   5.3393  355.213   20.098      ?      ? 
1 1 1  -11   19    6 o  161.977   5.9416  263.249   19.248      ?      ? 
1 1 1  -11   19    7 o  142.015   4.5422  205.077   12.735 -16.94011 9.084341 
1 1 1  -11   19    8 o  219.067   3.6403  475.441   15.778 17.19978 7.280622 
1 1 1  -11   19    9 o  350.269   3.9525  1230.00   27.634 5.764404 7.904902 
1 1 1  -11   19   10 o  216.822   3.6696  468.090   15.694 9.571274 7.339297 
1 1 1  -11   19   11 o  195.432   3.8112  381.404   14.620 5.364761 7.622469 
1 1 1  -11   19   12 o   60.991   9.8346   42.383   11.926 -22.24659 19.66913 
1 1 1  -11   19   13 o   41.638   10.628   15.400   11.476 -5.510700 21.25582 
1 1 1  -11   19   14 o  106.673   5.9652  110.812   12.445 29.41649 11.93048 
1 1 1  -11   19   15 o   32.609   14.745 -10.7462   20.527      ?      ? 
1 1 1  -11   19   16 o  220.993   5.7483  489.703   25.407      ?      ? 
1 1 1  -11   19   17 o  148.830   4.2879  230.481   10.894 -9.760544 8.575817 
1 1 1  -11   19   18 o   77.846   7.1028   59.702   9.4330 4.415001 14.20570 
1 1 1  -11   19   19 o   44.101   9.8818   20.720   9.2489 -4.355930 19.76351 
1 1 1  -11   19   20 o  116.283   6.1308  168.825   11.081 -53.59186 12.26156 
1 1 1  -11   19   21 o  240.713   5.6074  581.916   26.995      ?      ? 
1 1 1  -11   19   22 o   61.480   8.7805   49.888   10.198 -38.52337 17.56099 
1 1 1  -11   19   23 f   86.765   6.3496   77.076   10.054 -1.082382 12.69926 
1 1 1  -11   19   24 f   36.835   15.509   3.2215   19.480      ?      ? 
1 1 1  -11   19   25 o   36.841   10.387   8.2854   10.325 8.600571 20.77435 
1 1 1  -11   19   26 o   86.894   8.4636   84.493   13.324 -24.50579 16.92711 
1 1 1  -11   19   27 o  165.199   4.0676  278.571   12.036 -4.367722 8.135127 
1 1 1  -11   19   28 o   52.534   17.171   29.787   20.744      ?      ? 
1 1 1  -11   19   29 o  111.072   5.6647  119.082   11.582 13.43465 11.32937 
1 1 1  -11   19   30 o   91.772   6.2311   84.324   10.926 8.446510 12.46219 
1 1 1  -11   20    1 o  323.533   3.7833  1047.01   24.444 23.57452 7.566535 
1 1 1  -11   20    2 o  241.368   3.5974  585.080   17.335 13.53934 7.194848 
1 1 1  -11   20    3 o  376.318   4.1157  1421.12   30.971 0.7191162 8.231316 
1 1 1  -11   20    4 o  150.732   4.3913  228.353   13.204 2.165466 8.782532 
1 1 1  -11   20    5 o   94.210   9.2067   89.598   17.347      ?      ? 
1 1 1  -11   20    6 o  179.670   5.4827  323.943   19.701      ?      ? 
1 1 1  -11   20    7 o  253.395   3.4893  642.102   17.611 7.852158 6.978583 
1 1 1  -11   20    8 o  156.642   4.1503  244.718   12.829 6.607498 8.300637 
1 1 1  -11   20    9 o  150.167   4.3349  227.761   12.779 -3.846207 8.669733 
1 1 1  -11   20   10 o  164.457   4.0605  274.425   13.043 -8.231812 8.120988 
1 1 1  -11   20   11 o  246.842   3.5460  608.875   17.356 8.095581 7.092002 
1 1 1  -11   20   12 f   66.556   9.5180   49.232   12.047 -16.97160 19.03593 
1 1 1  -11   20   13 o   68.043   7.3523   59.525   12.508 -83.30441 14.70466 
1 1 1  -11   20   14 o  315.616   4.3251  623.269   21.494 -232.1241 8.650290 
1 1 1  -11   20   15 o  113.871   5.5186  145.508   10.436 -25.15790 11.03718 
1 1 1  -11   20   16 o   73.334   8.5591   65.332   9.5073 -22.87942 17.11820 
1 1 1  -11   20   17 o  240.692   3.1898  566.094   13.395 12.70538 6.379560 
1 1 1  -11   20   18 o   83.316   7.9450   90.080   9.5557 -37.47783 15.89003 
1 1 1  -11   20   20 f  133.530   4.3369  150.393   10.588 60.21515 8.673719 
1 1 1  -11   20   21 o   18.976   6.6797 -33.1074   9.7985 -0.1330585 13.35948 
1 1 1  -11   20   22 o  122.086   4.7716  157.362   10.212 -12.14184 9.543270 
1 1 1  -11   20   23 o   98.190   5.6820   93.885   10.253 9.159332 11.36394 
1 1 1  -11   20   24 o  125.916   4.6915  156.281   10.615 7.041771 9.383010 
1 1 1  -11   20   25 o   33.075   9.7906   4.3164   10.248 1.172756 19.58122 
1 1 1  -11   20   26 o  125.543   5.5301  160.844   13.756 -0.5276642 11.06012 
1 1 1  -11   20   27 o  111.239   5.6939  135.037   11.120 -19.09608 11.38774 
1 1 1  -11   20   28 o  131.908   4.6174  172.629   11.259 6.107910 9.234771 
1 1 1  -11   20   29 o   51.767   10.588   28.968   11.203 2.245548 21.17605 
1 1 1  -11   21    1 o  243.565   3.5053  596.275   17.038 14.06168 7.010554 
1 1 1  -11   21    2 o  301.541   3.6198  910.952   21.807 19.59195 7.239614 
1 1 1  -11   21    3 o  181.373   3.7359  328.478   13.484 -8.574753 7.471781 
1 1 1  -11   21    4 o  102.600   5.8488  105.840   11.977 -5.999352 11.69759 
1 1 1  -11   21    5 o  180.728   5.3001  327.929   19.158      ?      ? 
1 1 1  -11   21    6 o  119.363   7.5256  143.660   17.966      ?      ? 
1 1 1  -11   21    7 o  182.223   3.6921  331.803   13.297 5.342392 7.384225 
1 1 1  -11   21    8 o  237.364   3.4919  564.610   16.445 2.611481 6.983849 
1 1 1  -11   21    9 o  140.114   5.7595  197.365   16.140      ?      ? 
1 1 1  -11   21   10 f   24.977   8.4283 -20.5215   11.609 1.312763 16.85657 
1 1 1  -11   21   11 o  137.311   4.7897  194.824   12.773 -32.10393 9.579356 
1 1 1  -11   21   12 o  177.205   3.9205  314.713   13.836 -0.8389130 7.840933 
1 1 1  -11   21   13 o   42.744   11.033   15.588   12.100 0.5042076 22.06623 
1 1 1  -11   21   14 o  167.388   4.1126  280.781   13.441 4.559113 8.225263 
1 1 1  -11   21   15 o   80.086   6.8810   64.751   8.9097 0.3749084 13.76200 
1 1 1  -11   21   16 o  122.979   4.6152  156.236   9.2697 -5.841301 9.230396 
1 1 1  -11   21   17 o   53.047   5.8766   43.014   9.1223 -66.24583 11.75323 
1 1 1  -11   21   18 o  174.995   5.9880  307.250   20.957      ?      ? 
1 1 1  -11   21   19 o   64.388   14.874   45.271   18.783      ?      ? 
1 1 1  -11   21   20 o   82.765   6.5630   76.962   9.1505 -17.60859 13.12609 
1 1 1  -11   21   21 o   57.954   9.0139   41.228   9.4310 -21.41281 18.02781 
1 1 1  -11   21   22 o  137.655   4.3373  196.870   10.576 -9.834885 8.674623 
1 1 1  -11   21   23 o   31.892   9.6093   2.2772   10.232 0.7515411 19.21870 
1 1 1  -11   21   24 o  171.578   3.8150  301.546   11.815 -6.831970 7.630054 
1 1 1  -11   21   25 o   97.186   6.0075   95.718   10.554 1.343987 12.01497 
1 1 1  -11   21   26 o   54.292   9.9866   33.257   10.378 -6.209705 19.97310 
1 1 1  -11   21   27 o   59.801   9.3010   43.474   10.425 -22.78486 18.60190 
1 1 1  -11   21   28 o   40.854   10.213   16.220   10.265 -3.022774 20.42671 
1 1 1  -11   22    1 o  194.543   3.5211  381.957   13.615 12.97017 7.042275 
1 1 1  -11   22    2 o  194.080   3.5992  380.673   13.871 21.96352 7.198387 
1 1 1  -11   22    3 o  221.015   3.4763  491.024   15.340 10.56886 6.952525 
1 1 1  -11   22    4 o  220.114   3.5267  486.664   15.506 4.027832 7.053421 
1 1 1  -11   22    5 o  158.736   4.1584  252.904   13.191 -8.367828 8.316822 
1 1 1  -11   22    6 o  188.840   3.6404  361.087   13.612 -13.53218 7.280748 
1 1 1  -11   22    7 o   32.274   8.8797  -9.9120   11.546 -24.39220 17.75950 
1 1 1  -11   22    9 o  205.946   4.3927  381.344   16.243 -131.7197 8.785486 
1 1 1  -11   22   10 f  294.256   3.6857  867.504   21.683 -7.908752 7.371323 
1 1 1  -11   22   11 o  180.435   3.9151  329.043   14.026 -21.94107 7.830183 
1 1 1  -11   22   12 o  163.788   3.9925  272.782   12.962 -15.03778 7.985079 
1 1 1  -11   22   13 o   30.787   9.5617  -2.6239   10.869 4.566311 19.12340 
1 1 1  -11   22   14 o  129.225   4.8961  167.870   12.154 1.816483 9.792126 
1 1 1  -11   22   15 o   60.160   8.1075   58.238   9.0132 -50.96769 16.21500 
1 1 1  -11   22   16 o   69.270   7.2428   30.845   9.5179 83.82635 14.48552 
1 1 1  -11   22   17 o  243.471   5.0323  594.404   24.505      ?      ? 
1 1 1  -11   22   18 o   73.805   8.2195   86.875   9.2987 -65.48907 16.43905 
1 1 1  -11   22   19 o   67.103   8.3946   51.685   8.9243 -12.97392 16.78921 
1 1 1  -11   22   20 o   55.025   8.9982   37.314   9.1668 -21.05302 17.99636 
1 1 1  -11   22   21 o  197.216   3.3648  393.387   11.978 -2.971848 6.729640 
1 1 1  -11   22   22 o  215.510   3.3222  470.832   13.016 -4.537979 6.644476 
1 1 1  -11   22   23 o  192.191   3.5185  374.905   12.338 -4.049805 7.037065 
1 1 1  -11   22   24 f   30.790   8.8830   0.7075   10.086 -11.43851 17.76595 
1 1 1  -11   22   25 o   87.881   6.4155   78.633   10.161 0.6035233 12.83097 
1 1 1  -11   22   26 o   55.958   9.8102   33.884   10.217 -0.3830719E-01 19.62037 
1 1 1  -11   22   27 o  121.485   4.8369  152.808   11.037 -8.935326 9.673784 
1 1 1  -11   23    1 o  204.236   3.5373  418.364   14.346 -3.750320 7.074562 
1 1 1  -11   23    2 f  318.793   3.7098  1019.20   23.589 -11.97809 7.419523 
1 1 1  -11   23    3 o  203.393   3.7019  411.921   14.984 -25.72298 7.403771 
1 1 1  -11   23    4 o  328.064   3.8442  1078.57   25.188 -13.26917 7.688394 
1 1 1  -11   23    5 o  219.204   3.7460  481.604   16.418 -6.989670 7.491937 
1 1 1  -11   23    7 o  257.859   3.9541  495.505   17.581 164.2950 7.908243 
1 1 1  -11   23    8 o  244.252   3.6331  595.075   17.701 -19.67683 7.266260 
1 1 1  -11   23    9 o  110.572   5.7229  125.962   12.477 -18.16370 11.44580 
1 1 1  -11   23   10 f  197.339   3.6252  393.362   14.235 -11.40794 7.250430 
1 1 1  -11   23   11 o  129.846   4.8541  170.586   12.241 -1.645355 9.708200 
1 1 1  -11   23   12 o  109.690   5.5985  120.569   11.652 3.287498 11.19696 
1 1 1  -11   23   13 o  172.998   3.9267  294.749   13.068 13.95474 7.853353 
1 1 1  -11   23   14 o  245.966   3.6036  611.498   17.669 -17.41624 7.207129 
1 1 1  -11   23   15 o  225.107   3.6905  508.842   16.584 -13.70161 7.380990 
1 1 1  -11   23   16 o   28.976   9.1746 -14.1874   9.8423 20.82110 18.34917 
1 1 1  -11   23   17 f  224.090   3.1670  520.886   12.894 -18.23743 6.334089 
1 1 1  -11   23   19 o  117.409   4.5232  126.440   9.4437 22.33448 9.046363 
1 1 1  -11   23   20 o  116.345   5.0210  140.830   9.9467 -6.170921 10.04208 
1 1 1  -11   23   21 o  159.797   3.9367  259.633   10.871 -3.330338 7.873362 
1 1 1  -11   23   22 o  154.521   4.0481  242.814   10.967 -2.980713 8.096218 
1 1 1  -11   23   23 o   89.349   6.4550   83.425   10.100 -4.365471 12.90996 
1 1 1  -11   23   24 o   57.072   9.4927   35.587   9.9594 -5.112988 18.98549 
1 1 1  -11   23   25 f  105.446   5.5481  115.821   10.383 -6.407730 11.09614 
1 1 1  -11   23   26 o   99.365   6.0793  103.030   10.970 -6.516396 12.15867 
1 1 1  -11   24    1 o  192.193   3.9984  373.884   14.680 74.53548 7.996775 
1 1 1  -11   24    2 o  259.850   3.5805  677.448   18.575 17.24677 7.160982 
1 1 1  -11   24    3 o  157.370   4.3554  252.001   13.311 46.52837 8.710736 
1 1 1  -11   24    4 o  303.740   3.6979  925.874   22.453 -4.693787 7.395846 
1 1 1  -11   24    5 o  130.089   5.7804  176.238   13.363 -79.69874 11.56082 
1 1 1  -11   24    6 o  288.734   5.2048  839.701   30.056      ?      ? 
1 1 1  -11   24    7 o  209.521   3.1670  451.847   12.367 -15.63557 6.333958 
1 1 1  -11   24    8 f  192.145   3.5928  372.645   13.669 -6.443512 7.185680 
1 1 1  -11   24    9 o  222.801   3.4520  500.835   15.188 -5.923553 6.903980 
1 1 1  -11   24   10 o  203.757   3.5071  413.647   13.977 8.068878 7.014260 
1 1 1  -11   24   11 o   33.126   9.4725   2.3747   11.141 -12.49869 18.94503 
1 1 1  -11   24   12 o   93.664   8.4340  112.371   12.194 -54.62890 16.86795 
1 1 1  -11   24   13 o  303.636   3.7184  916.587   22.351 16.72406 7.436849 
1 1 1  -11   24   14 o  184.093   3.9627  342.855   14.359 -6.320801 7.925348 
1 1 1  -11   24   15 o  119.189   5.4035  149.211   12.378 -19.23607 10.80705 
1 1 1  -11   24   16 o  125.066   4.4795  167.293   9.1934 -13.71917 8.959063 
1 1 1  -11   24   17 o  159.708   3.7042  259.097   10.168 -3.459473 7.408374 
1 1 1  -11   24   18 o  216.062   3.2180  455.216   12.194 12.61273 6.435956 
1 1 1  -11   24   19 o   80.746   8.5387   90.097   9.6042 -43.34492 17.07743 
1 1 1  -11   24   20 o  213.856   3.3238  454.993   12.498 4.567337 6.647524 
1 1 1  -11   24   21 o   55.310   9.8779   31.047   9.5890 6.786457 19.75571 
1 1 1  -11   24   22 o   32.332   9.7847   0.9581   9.7423 12.15234 19.56945 
1 1 1  -11   24   23 o   48.330   9.7399   17.534   9.8593 33.00930 19.47972 
1 1 1  -11   24   24 o   55.819   9.8795   33.208   10.188 1.695229 19.75906 
1 1 1  -11   24   25 o  130.594   5.3021  173.047   13.821 2.764755 10.60418 
1 1 1  -11   25    1 o  189.792   3.6573  362.798   13.803 3.992310 7.314583 
1 1 1  -11   25    2 o  222.484   3.4905  494.215   15.449 -12.71063 6.980949 
1 1 1  -11   25    3 f  200.128   3.5959  402.501   14.368 -0.3547363 7.191759 
1 1 1  -11   25    4 o  247.591   3.4963  615.362   17.289 -5.253983 6.992583 
1 1 1  -11   25    5 o  198.211   3.6663  394.869   14.530 -6.273697 7.332677 
1 1 1  -11   25    6 o  190.189   3.2262  357.661   10.905 6.002975 6.452489 
1 1 1  -11   25    7 o  121.843   4.5746  149.889   9.4540 -0.6841049 9.149234 
1 1 1  -11   25    8 o  186.617   3.6418  349.300   13.202 4.801498 7.283647 
1 1 1  -11   25    9 o  155.407   4.0820  251.867   12.196 -21.93884 8.164010 
1 1 1  -11   25   10 o  159.841   4.0806  237.115   12.519 58.46983 8.161140 
1 1 1  -11   25   11 o  300.368   3.6709  905.689   22.021 -7.819550 7.341847 
1 1 1  -11   25   12 o   74.000   9.3126   73.104   11.656 -45.15979 18.62517 
1 1 1  -11   25   13 o   72.989   9.0146   63.857   11.172 -24.96712 18.02920 
1 1 1  -11   25   14 o   45.892   10.612   21.876   10.790 1.318153 21.22374 
1 1 1  -11   25   15 o  173.816   3.8878  307.436   13.039 -7.129425 7.775622 
1 1 1  -11   25   16 o  121.380   4.9802  146.443   11.632 6.517937 9.960374 
1 1 1  -11   25   17 o   41.954   8.9836   20.908   9.0359 -17.87960 17.96721 
1 1 1  -11   25   18 o   54.431   8.7308   40.839   9.1029 -31.64759 17.46151 
1 1 1  -11   25   19 o  197.185   3.4410  389.985   11.683 0.9654236 6.882096 
1 1 1  -11   25   20 o   89.276   6.4213   79.626   9.6979 3.272781 12.84267 
1 1 1  -11   25   21 o  164.471   3.8925  273.291   11.002 -0.7958679 7.784941 
1 1 1  -11   25   22 o   39.142   9.0622   15.529   9.8292 -18.96843 18.12430 
1 1 1  -11   25   23 o   60.190   9.2881   40.469   10.211 -10.04150 18.57630 
1 1 1  -11   25   24 o  196.079   3.7056  385.316   13.540 2.889572 7.411116 
1 1 1  -11   26    1 o  162.504   4.0786  266.773   13.246 -1.735260 8.157182 
1 1 1  -11   26    2 o  213.794   3.5485  460.489   15.164 -7.653152 7.096958 
1 1 1  -11   26    3 o  202.345   3.7308  403.245   14.856 -49.38995 7.461575 
1 1 1  -11   26    4 o   75.803   6.7211   65.522   12.491 -104.6289 13.44214 
1 1 1  -11   26    5 o  194.320   3.8310  378.063   14.836 -19.76315 7.662023 
1 1 1  -11   26    6 o  231.120   5.1670  536.117   23.884      ?      ? 
1 1 1  -11   26    7 o  327.514   3.3120  1062.35   20.069 9.655518 6.624042 
1 1 1  -11   26    8 o  195.489   3.2945  310.386   11.004 72.30136 6.588962 
1 1 1  -11   26    9 o  139.455   4.5082  204.454   11.846 -21.08035 9.016488 
1 1 1  -11   26   10 o   92.221   6.4326   89.293   11.259 -9.065147 12.86527 
1 1 1  -11   26   11 o  165.944   3.8983  280.258   12.418 -5.940872 7.796541 
1 1 1  -11   26   12 o   52.883   9.4636   32.967   10.363 -19.30045 18.92725 
1 1 1  -11   26   13 o  188.708   3.6002  354.747   13.130 6.950974 7.200371 
1 1 1  -11   26   14 o  162.042   3.9291  249.936   12.178 28.70844 7.858294 
1 1 1  -11   26   15 o   77.509   8.5562   70.920   11.217 -24.33901 17.11241 
1 1 1  -11   26   16 o   97.497   6.3007   99.689   11.428 -8.270638 12.60139 
1 1 1  -11   26   17 o  112.107   5.1116  130.760   9.2283 -5.700005 10.22319 
1 1 1  -11   26   18 o   80.188   6.7791   59.868   9.1422 12.95866 13.55825 
1 1 1  -11   26   19 o  116.678   5.4136  150.146   9.9472 -17.54237 10.82720 
1 1 1  -11   26   20 o  184.364   3.5900  339.282   11.473 2.907181 7.179983 
1 1 1  -11   26   21 o   86.315   6.4859   71.811   9.8490 10.12041 12.97187 
1 1 1  -11   26   22 o  134.078   4.4649  191.488   10.441 -16.51094 8.929771 
1 1 1  -11   26   23 o  117.999   4.8421  149.880   10.686 -24.07520 9.684175 
1 1 1  -11   27    1 o  214.892   3.3973  458.974   14.281 -8.294800 6.794624 
1 1 1  -11   27    2 o  222.303   3.6698  492.765   15.840 73.17009 7.339556 
1 1 1  -11   27    3 o  332.955   4.0768  867.695   23.735 165.1153 8.153584 
1 1 1  -11   27    4 o  197.995   3.8359  398.206   15.027 25.99770 7.671788 
1 1 1  -11   27    5 o  143.673   3.9143  222.508   10.176 -27.48521 7.828593 
1 1 1  -11   27    6 o  148.391   4.1024  227.579   11.885 -26.71707 8.204867 
1 1 1  -11   27    7 o   53.102   8.3655   37.687   8.8900 -32.28367 16.73101 
1 1 1  -11   27    8 o  130.098   4.1158  170.275   9.4476 0.4652405 8.231516 
1 1 1  -11   27    9 o   25.174   8.1494  -6.1455   8.6240 1.557970 16.29887 
1 1 1  -11   27   10 o   91.124   6.0973   89.408   10.308 -17.25812 12.19458 
1 1 1  -11   27   11 o  156.187   3.8767  250.344   11.661 -13.03629 7.753358 
1 1 1  -11   27   12 o   80.549   6.8086   60.130   10.419 24.97530 13.61725 
1 1 1  -11   27   13 o  179.713   3.8162  325.874   13.074 0.4426575 7.632373 
1 1 1  -11   27   14 o  212.312   3.6357  449.324   14.883 7.771469 7.271457 
1 1 1  -11   27   15 o   41.879   9.9957   17.537   11.099 -15.78623 19.99148 
1 1 1  -11   27   16 o  137.913   4.7187  198.202   12.333 -14.20161 9.437370 
1 1 1  -11   27   17 o  163.451   4.1513  270.038   13.203 0.1056824 8.302547 
1 1 1  -11   27   18 o  153.398   4.1218  245.458   10.477 -9.779083 8.243689 
1 1 1  -11   27   19 o  156.031   4.0949  246.568   10.722 -1.494705 8.189866 
1 1 1  -11   27   20 o   70.822   7.9905   49.896   9.6107 5.501343 15.98106 
1 1 1  -11   27   21 o   42.552   10.167   14.469   9.6905 18.75677 20.33316 
1 1 1  -11   27   22 o  101.619   7.9946  123.801   16.248      ?      ? 
1 1 1  -11   28    1 o  320.434   3.7072  1034.88   23.735 -0.8721008 7.414421 
1 1 1  -11   28    2 f  160.042   3.9707  255.014   12.620 -19.64394 7.941324 
1 1 1  -11   28    3 o   90.201   6.5676   82.436   11.514 -29.71247 13.13524 
1 1 1  -11   28    4 o   33.803   9.6390  -2.5722   11.886 19.01406 19.27790 
1 1 1  -11   28    5 o   62.285   8.2752   48.081   8.6073 -24.01852 16.55043 
1 1 1  -11   28    6 o   76.525   6.9826   66.980   8.7238 -18.63688 13.96522 
1 1 1  -11   28    7 o   70.219   7.6519   53.444   9.8451 -12.37618 15.30385 
1 1 1  -11   28    8 o  107.831   4.7953  109.006   9.9621 36.21030 9.590650 
1 1 1  -11   28    9 o   92.810   5.8573   80.685   10.154 47.62458 11.71452 
1 1 1  -11   28   10 o   94.002   5.9294   95.292   10.365 -17.18372 11.85874 
1 1 1  -11   28   11 o  189.344   3.5414  359.315   13.051 4.159592 7.082770 
1 1 1  -11   28   12 o  160.968   3.9746  258.291   12.204 5.827911 7.949168 
1 1 1  -11   28   13 o   83.859   7.1482   73.461   11.083 -3.880310 14.29634 
1 1 1  -11   28   14 o  129.452   4.7390  163.958   11.707 14.09857 9.477942 
1 1 1  -11   28   15 f   55.787   10.198   34.484   11.085 -1.731064 20.39541 
1 1 1  -11   28   16 o   76.518   8.4179   64.705   11.566 -12.12486 16.83570 
1 1 1  -11   28   17 o   95.016   6.4427   92.451   11.697 -0.1066895 12.88539 
1 1 1  -11   28   18 o   84.908   6.6961   75.121   9.5266 -3.682243 13.39226 
1 1 1  -11   28   19 o  107.519   5.1825  113.592   9.8116 6.300919 10.36502 
1 1 1  -11   28   20 o   90.404   5.5368   86.379   9.2399 -8.737907 11.07368 
1 1 1  -11   29    1 f  358.458   4.0123  1293.26   28.759 8.112183 8.024692 
1 1 1  -11   29    2 o  306.554   3.6933  943.740   22.593 -4.924805 7.386522 
1 1 1  -11   29    3 o  282.206   3.6139  800.605   20.373 18.57962 7.227806 
1 1 1  -11   29    4 o  140.016   4.5752  198.182   12.704 1.517593 9.150463 
1 1 1  -11   29    5 o   47.612   8.6088   26.718   8.5759 -18.42505 17.21752 
1 1 1  -11   29    6 f  113.380   4.4123  138.191   9.0214 -18.34583 8.824541 
1 1 1  -11   29    7 o  136.346   4.1970  191.665   11.077 -12.03508 8.394073 
1 1 1  -11   29    8 f  178.336   3.5745  317.205   12.320 6.260040 7.149058 
1 1 1  -11   29    9 o  184.723   3.5901  343.624   12.814 -0.1598358 7.180293 
1 1 1  -11   29   10 o  205.955   3.5142  429.111   14.123 -4.096924 7.028384 
1 1 1  -11   29   11 o  198.633   3.5234  396.537   13.547 1.606262 7.046822 
1 1 1  -11   29   12 o   89.487   6.4207   81.769   10.793 0.4687805 12.84139 
1 1 1  -11   29   13 o  209.459   3.6248  451.085   14.801 -21.59351 7.249656 
1 1 1  -11   29   14 o   81.537   7.7901   74.781   10.872 -16.77043 15.58020 
1 1 1  -11   29   15 f   86.566   6.8022   76.072   11.054 2.627502 13.60437 
1 1 1  -11   29   16 o  160.191   4.0941  261.926   12.684 -7.541916 8.188211 
1 1 1  -11   29   17 o  115.482   5.1272  129.507   11.565 22.81380 10.25443 
1 1 1  -11   29   18 o   24.017   8.0654 -19.5436   10.840 -4.747660 16.13083 
1 1 1  -11   30    1 o  148.083   4.4258  223.763   12.808 7.664810 8.851629 
1 1 1  -11   30    2 o  101.206   6.0548  103.772   12.179 -5.608047 12.10970 
1 1 1  -11   30    3 o  101.848   6.0695  107.448   12.166 14.83303 12.13904 
1 1 1  -11   30    4 o  101.492   5.2525  106.808   10.145 -7.954376 10.50504 
1 1 1  -11   30    5 o  127.622   4.0847  166.415   9.2692 -3.842049 8.169371 
1 1 1  -11   30    6 o   88.479   5.9476   82.850   9.0981 -7.550125 11.89512 
1 1 1  -11   30    7 o   73.569   6.5976   50.550   8.8814 15.65411 13.19515 
1 1 1  -11   30    8 o  161.332   3.7396  257.060   11.544 10.80925 7.479123 
1 1 1  -11   30    9 o  149.150   4.0572  223.876   11.612 1.789108 8.114310 
1 1 1  -11   30   10 o  112.270   5.2121  131.594   10.818 -8.534813 10.42420 
1 1 1  -11   30   11 o  131.697   4.4960  170.606   11.103 10.47511 8.991944 
1 1 1  -11   30   12 o  125.014   4.7648  160.526   11.178 -5.506630 9.529562 
1 1 1  -11   30   13 o  146.679   4.2580  220.602   11.865 -7.133484 8.515922 
1 1 1  -11   30   14 o  145.014   4.2403  214.566   11.823 -6.158981 8.480550 
1 1 1  -11   30   15 o  137.999   4.3728  193.386   11.858 -4.613083 8.745637 
1 1 1  -11   30   16 o   57.528   8.6040   36.213   10.137 -33.54769 17.20802 
1 1 1  -11   31    1 o  110.270   5.3363  120.377   11.264 -9.569756 10.67268 
1 1 1  -11   31    2 o  131.035   4.7178  172.490   12.075 -5.147934 9.435510 
1 1 1  -11   31    3 o  113.368   5.3078  129.364   11.936 -9.502090 10.61550 
1 1 1  -11   31    4 o   80.712   5.7926   63.227   8.6221 9.758736 11.58511 
1 1 1  -11   31    5 o  165.984   3.6293  272.962   11.770 13.25250 7.258668 
1 1 1  -11   31    6 o  214.936   3.4302  465.438   14.467 0.6371155 6.860458 
1 1 1  -11   31    7 o  222.027   3.4062  486.240   14.588 16.99518 6.812303 
1 1 1  -11   31    8 o   91.701   6.1419   81.075   10.626 15.16393 12.28388 
1 1 1  -11   31    9 o  116.029   5.1041  140.871   11.065 -11.22820 10.20813 
1 1 1  -11   31   10 o   59.138   9.2655   41.146   10.419 -18.81633 18.53110 
1 1 1  -11   31   11 o  185.147   3.5979  344.866   13.005 0.7619476 7.195746 
1 1 1  -11   31   12 o  157.463   3.8354  248.449   11.841 4.009720 7.670895 
1 1 1  -11   31   13 o   59.094   8.7465   35.332   10.155 22.75084 17.49304 
1 1 1  -11   31   14 o   79.532   6.2716   64.329   9.8060 20.66876 12.54311 
1 1 1  -11   32    1 o  161.318   6.4850  263.610   20.923      ?      ? 
1 1 1  -11   32    2 o  146.076   4.3025  212.237   11.845 -6.629013 8.604987 
1 1 1  -11   32    3 o  142.669   4.5239  207.572   12.400 4.197342 9.047830 
1 1 1  -11   32    4 o  220.932   2.9127  495.913   12.354 -8.957275 5.825413 
1 1 1  -11   32    5 o  102.471   4.9352  112.878   9.2661 -17.92110 9.870378 
1 1 1  -11   32    6 o   89.936   5.9469   82.766   10.478 -0.9278641 11.89380 
1 1 1  -11   32    7 o  111.755   4.9998  127.201   10.667 -2.213112 9.999545 
1 1 1  -11   32    8 o  240.679   3.3745  584.646   16.176 -11.69624 6.748987 
1 1 1  -11   32    9 o  135.029   4.1602  180.748   11.074 13.25548 8.320398 
1 1 1  -11   32   10 o  245.062   3.2774  604.396   16.045 -0.4598389 6.554810 
1 1 1  -11   32   11 o   65.563   7.7680   45.626   9.8155 17.49195 15.53596 
1 1 1  -11   33    1 o  142.617   7.0965  206.017   20.242      ?      ? 
1 1 1  -11   33    2 o  130.592   7.5860  173.078   19.813      ?      ? 
1 1 1  -11   33    3 o  123.243   4.8255  152.084   10.810 -2.596306 9.650976 
1 1 1  -11   33    4 o  138.135   4.5178  192.635   11.733 -0.1383972 9.035529 
1 1 1  -11   33    5 o  196.470   3.2304  387.098   12.656 -8.020218 6.460709 
1 1 1  -11   33    6 o   99.631   4.8721  100.535   9.6855 -9.312523 9.744138 
1 1 1  -11   33    7 o  127.068   4.2746  161.360   10.033 68.09473 8.549227 
1 1 1  -10    0    5 o  303.060   5.2324  919.552   31.694 -0.000000 0.000000 
1 1 1  -10    0    6 o  119.489   7.9294  144.752   18.779 -0.000000 0.000000 
1 1 1  -10    0    7 o  502.665   7.2241  2529.81   72.593 -0.000000 0.000000 
1 1 1  -10    0    8 o  202.041   5.4167  409.229   21.853 -0.000000 0.000000 
1 1 1  -10    0    9 o  523.786   7.4872  2747.10   78.397 -0.000000 0.000000 
1 1 1  -10    0   10 o  168.183   6.3630  284.207   21.336 -0.000000 0.000000 
1 1 1  -10    0   11 o  319.462   5.5508  1021.87   35.441 -0.000000 0.000000 
1 1 1  -10    0   12 o  334.060   5.8187  1117.45   38.850 -0.000000 0.000000 
1 1 1  -10    0   13 o  219.284   6.1798  482.220   27.055 -0.000000 0.000000 
1 1 1  -10    0   14 o  241.505   4.1791  585.075   20.134 -0.000000 0.000000 
1 1 1  -10    0   15 o   17.843   9.1326 -40.4531   15.398 -0.000000 0.000000 
1 1 1  -10    0   16 o  219.141   4.2201  477.283   18.332 -0.000000 0.000000 
1 1 1  -10    0   17 o  100.356   8.2028  107.092   15.460 -0.000000 0.000000 
1 1 1  -10    0   18 o  280.530   4.0685  785.966   22.720 -0.000000 0.000000 
1 1 1  -10    0   19 o  220.179   4.3933  486.060   19.197 -0.000000 0.000000 
1 1 1  -10    0   20 o  105.194   9.2053  124.372   16.483 -0.000000 0.000000 
1 1 1  -10    0   21 o   64.571   14.485   53.482   16.342 -0.000000 0.000000 
1 1 1  -10    0   22 o   16.669   8.6530 -49.6648   16.186 -0.000000 0.000000 
1 1 1  -10    0   23 o  124.005   6.6147  157.792   16.063 -0.000000 0.000000 
1 1 1  -10    0   24 f  141.791   5.6753  204.329   15.916 -0.000000 0.000000 
1 1 1  -10    0   25 o   35.192   13.936   16.946   14.614 -0.000000 0.000000 
1 1 1  -10    0   26 o   40.855   14.285   25.064   14.781 -0.000000 0.000000 
1 1 1  -10    0   28 o  158.793   5.3392  254.112   16.695 -0.000000 0.000000 
1 1 1  -10    0   29 o   57.582   13.878   45.382   15.021 -0.000000 0.000000 
1 1 1  -10    0   30 f  176.600   4.9546  313.474   17.372 -0.000000 0.000000 
1 1 1  -10    0   31 o   85.993   10.957   82.306   15.889 -0.000000 0.000000 
1 1 1  -10    0   32 o   23.284   11.204 -13.0346   15.490 -0.000000 0.000000 
1 1 1  -10    0   33 o  160.460   5.3916  261.574   17.195 -0.000000 0.000000 
1 1 1  -10    0   34 o   23.208   11.199  -9.3059   15.408 -0.000000 0.000000 
1 1 1  -10    0   35 o  100.713   7.9889  107.046   15.670 -0.000000 0.000000 
1 1 1  -10    0   36 o   21.271   10.533 -17.7682   15.779 -0.000000 0.000000 
1 1 1  -10    0   37 o  112.593   7.2454  132.334   15.902 -0.000000 0.000000 
1 1 1  -10    1    5 o  626.485   6.2045  3931.33   77.739 3.316711 12.40901 
1 1 1  -10    1    6 o  395.219   4.2750  1562.10   33.770 -7.851410 8.549992 
1 1 1  -10    1    7 o  410.102   4.3811  1682.85   35.924 -4.670929 8.762223 
1 1 1  -10    1    8 o  584.368   5.8285  3418.94   68.093 -8.985596 11.65702 
1 1 1  -10    1    9 o  560.582   5.6242  3147.39   63.056 2.306824 11.24847 
1 1 1  -10    1   10 o  591.298   5.9196  3500.49   69.980 11.29468 11.83911 
1 1 1  -10    1   11 o  375.647   4.2538  1410.03   31.914 -11.08353 8.507665 
1 1 1  -10    1   12 o  161.229   5.2881  258.543   16.927 -27.54904 10.57617 
1 1 1  -10    1   13 o  382.424   4.3662  1462.19   33.376 14.14679 8.732491 
1 1 1  -10    1   14 o  202.396   3.8982  425.200   14.794 -23.78816 7.796387 
1 1 1  -10    1   15 o  420.162   3.2335  1765.74   27.165 10.16687 6.466921 
1 1 1  -10    1   16 o  261.948   2.8603  686.702   14.978 10.39670 5.720654 
1 1 1  -10    1   17 o   90.303   6.1859   81.936   11.122 -10.73486 12.37171 
1 1 1  -10    1   18 o  293.548   2.8804  862.120   16.908 5.244598 5.760738 
1 1 1  -10    1   19 o  283.905   2.9027  806.747   16.480 -6.296753 5.805399 
1 1 1  -10    1   20 o  103.506   5.5508  107.926   11.448 -6.599564 11.10157 
1 1 1  -10    1   21 o  109.084   5.3898  118.674   11.683 17.54549 10.77965 
1 1 1  -10    1   22 o  371.091   3.0898  1379.40   22.922 0.7802734 6.179508 
1 1 1  -10    1   23 f   78.531   7.1070   61.879   11.104 11.30766 14.21395 
1 1 1  -10    1   24 o   63.134   8.7501   43.994   10.659 -29.33450 17.50029 
1 1 1  -10    1   25 o  106.910   4.9777  115.066   10.621 0.8231735 9.955307 
1 1 1  -10    1   26 o   36.375   10.029   8.8309   10.508 0.6803436 20.05843 
1 1 1  -10    1   28 o   55.653   9.0570   32.684   10.521 27.20787 18.11395 
1 1 1  -10    1   29 o   47.543   9.9715   23.991   10.238 -5.973042 19.94294 
1 1 1  -10    1   30 o   40.522   10.219   14.339   10.621 8.337170 20.43731 
1 1 1  -10    1   31 o   49.490   9.4361   25.139   10.778 28.50625 18.87230 
1 1 1  -10    1   32 o  105.457   5.2227  113.065   11.008 -2.482178 10.44542 
1 1 1  -10    1   33 f   54.076   9.7388   31.656   11.278 25.13915 19.47756 
1 1 1  -10    1   34 o   34.605   9.9432   5.7439   10.869 5.374727 19.88648 
1 1 1  -10    1   35 o   33.614   9.8273   4.5641   10.825 -3.035660 19.65454 
1 1 1  -10    1   36 o   50.178   10.152   27.335   11.025 13.71325 20.30325 
1 1 1  -10    1   37 o   93.526   5.8136   89.036   10.874 0.8919830 11.62715 
1 1 1  -10    2    5 o  198.790   5.3787  395.428   21.385      ?      ? 
1 1 1  -10    2    6 o  281.854   3.7051  791.786   20.830 -14.54840 7.410109 
1 1 1  -10    2    7 o  224.275   3.7879  501.956   16.967 -12.09660 7.575838 
1 1 1  -10    2    8 o  254.106   3.6612  645.969   18.576 -1.039444 7.322415 
1 1 1  -10    2    9 o  235.188   3.7618  553.699   17.680 2.023941 7.523568 
1 1 1  -10    2   10 o  492.523   5.0754  2428.75   49.993 4.953918 10.15073 
1 1 1  -10    2   11 o  699.654   6.9196  4906.60   96.823 5.169373 13.83924 
1 1 1  -10    2   12 o  112.351   7.2942  126.481   16.365 -1.254616 14.58836 
1 1 1  -10    2   13 o  516.385   5.3269  2663.49   54.925 21.97800 10.65380 
1 1 1  -10    2   14 o  448.210   4.1517  2010.88   35.062 0.6567383E-01 8.303453 
1 1 1  -10    2   15 o  315.193   2.8738  993.796   18.114 -4.880920 5.747552 
1 1 1  -10    2   16 o  154.139   3.8044  237.897   11.724 -2.208801 7.608810 
1 1 1  -10    2   17 f  242.497   2.9261  588.620   14.187 -2.906418 5.852232 
1 1 1  -10    2   18 o  243.719   2.9208  594.503   14.235 -5.416306 5.841677 
1 1 1  -10    2   19 f  221.010   3.0503  488.945   13.482 0.6677704 6.100605 
1 1 1  -10    2   20 o  188.345   3.3428  355.147   12.590 2.083511 6.685597 
1 1 1  -10    2   21 o  105.879   7.8981  112.548   16.725      ?      ? 
1 1 1  -10    2   22 o   71.902   8.3143   54.052   11.441 -16.88549 16.62858 
1 1 1  -10    2   23 o  259.049   2.8846  671.731   14.933 3.624969 5.769165 
1 1 1  -10    2   24 o   42.236   10.301   16.656   10.623 -3.982445 20.60122 
1 1 1  -10    2   25 o  154.019   3.6590  238.837   11.232 -6.857956 7.317940 
1 1 1  -10    2   26 o   59.141   9.0947   37.082   10.458 8.107063 18.18940 
1 1 1  -10    2   28 o   71.049   10.988   52.093   15.614      ?      ? 
1 1 1  -10    2   29 o   36.638   9.8254   10.420   9.9006 -1.189930 19.65083 
1 1 1  -10    2   31 o   42.931   10.192   18.010   10.492 10.03038 20.38390 
1 1 1  -10    2   32 o  113.789   4.7938  130.557   10.879 7.048805 9.587585 
1 1 1  -10    2   33 o  135.105   4.2323  184.410   11.417 1.679947 8.464627 
1 1 1  -10    2   34 o   89.825   6.0713   82.254   10.888 6.941574 12.14261 
1 1 1  -10    2   35 f   50.167   10.189   27.685   10.755 0.1481133 20.37870 
1 1 1  -10    2   36 o  218.681   3.0602  481.169   13.383 -2.885086 6.120403 
1 1 1  -10    2   37 o   69.252   8.0546   51.332   10.605 19.93090 16.10929 
1 1 1  -10    3    4 f  163.729   5.7764  268.269   18.915      ?      ? 
1 1 1  -10    3    5 o  306.189   5.2359  938.084   32.063      ?      ? 
1 1 1  -10    3    6 o  513.812   5.2064  2640.96   53.461 -11.02490 10.41271 
1 1 1  -10    3    7 o  289.939   3.7610  827.766   21.609 -34.21964 7.521939 
1 1 1  -10    3    8 o  436.468   4.5796  1906.94   39.976 4.056488 9.159136 
1 1 1  -10    3    9 o  587.891   5.8797  3460.40   69.110 10.40936 11.75949 
1 1 1  -10    3   10 o  336.559   4.0336  1133.66   27.148 0.8919067 8.067127 
1 1 1  -10    3   11 o  560.554   5.6763  3093.27   62.816 -57.44470 11.35254 
1 1 1  -10    3   12 f  299.831   4.0575  899.597   24.326 -1.788666 8.114935 
1 1 1  -10    3   13 o  290.002   5.6752  841.708   32.916      ?      ? 
1 1 1  -10    3   14 o  231.438   3.6421  549.365   15.822 -17.58968 7.284169 
1 1 1  -10    3   15 o  314.097   5.6803  987.570   35.683      ?      ? 
1 1 1  -10    3   16 o  145.446   4.0594  212.209   11.776 -12.26164 8.118755 
1 1 1  -10    3   17 o  147.790   3.8910  218.416   11.490 8.836243 7.781937 
1 1 1  -10    3   18 o  188.780   3.2755  356.867   12.362 -2.623642 6.550919 
1 1 1  -10    3   19 o  347.040   2.9849  1205.34   20.711 2.590515 5.969794 
1 1 1  -10    3   20 o  219.753   3.0971  483.766   13.596 -2.867661 6.194288 
1 1 1  -10    3   21 o  217.861   3.1344  475.442   13.651 -3.597046 6.268842 
1 1 1  -10    3   22 o   78.954   8.4013   61.571   12.751 6.878593 16.80251 
1 1 1  -10    3   23 o  137.427   4.1166  190.561   11.243 -15.67990 8.233134 
1 1 1  -10    3   24 o  291.466   3.4249  854.590   18.951 3.214386 6.849744 
1 1 1  -10    3   25 f  227.783   2.8813  520.133   13.126 -1.082565 5.762614 
1 1 1  -10    3   26 o  170.072   3.4317  290.518   11.672 1.524994 6.863418 
1 1 1  -10    3   28 o   20.803   7.2212 -30.3118   10.251 5.506111 14.44231 
1 1 1  -10    3   29 o  186.001   3.1322  347.117   11.641 2.884460 6.264476 
1 1 1  -10    3   30 o   96.025   5.5562   92.969   10.612 -1.117828 11.11238 
1 1 1  -10    3   32 o   64.096   8.4094   42.759   10.485 14.99874 16.81870 
1 1 1  -10    3   33 o   25.935   8.5047 -12.6653   10.540 6.361206 17.00942 
1 1 1  -10    3   34 o   44.981   10.101   19.931   10.553 15.83821 20.20285 
1 1 1  -10    3   35 o   34.155   9.7653   5.9156   10.639 -6.031319 19.53062 
1 1 1  -10    3   36 o   53.731   9.7293   30.346   11.162 26.34423 19.45867 
1 1 1  -10    3   37 o   74.688   7.2857   57.933   10.766 -11.45900 14.57139 
1 1 1  -10    4    4 o  363.421   5.6127  1321.67   40.795      ?      ? 
1 1 1  -10    4    5 o  380.162   5.8003  1446.34   44.101      ?      ? 
1 1 1  -10    4    6 o  379.249   4.1640  1424.96   31.350 -30.01392 8.328024 
1 1 1  -10    4    7 o  555.695   5.5733  3090.79   61.909 -9.701050 11.14660 
1 1 1  -10    4    8 o  138.782   5.1364  194.501   14.106 10.02930 10.27282 
1 1 1  -10    4    9 o  334.234   3.9661  1118.09   26.509 2.237640 7.932198 
1 1 1  -10    4   10 o  316.828   3.9742  976.443   24.788 -50.92807 7.948389 
1 1 1  -10    4   11 o  346.939   4.1755  1204.77   28.972 2.359283 8.350982 
1 1 1  -10    4   12 o  553.246   5.6227  3065.35   62.213 -2.111023 11.24536 
1 1 1  -10    4   13 o  223.038   3.6781  504.517   15.188 -8.131302 7.356171 
1 1 1  -10    4   14 o  413.613   3.9141  1720.29   30.639 -5.975616 7.828255 
1 1 1  -10    4   15 o  287.299   5.6930  826.267   32.712      ?      ? 
1 1 1  -10    4   16 o  355.753   3.7028  1269.06   24.791 -1.883362 7.405590 
1 1 1  -10    4   17 o  384.194   3.0899  1477.17   23.741 2.621307 6.179749 
1 1 1  -10    4   18 o  373.003   3.0607  1392.57   22.831 1.157501 6.121497 
1 1 1  -10    4   19 o  235.511   3.0257  555.490   14.237 -2.551865 6.051326 
1 1 1  -10    4   20 o  232.955   3.0281  541.607   14.071 9.353378 6.056287 
1 1 1  -10    4   21 o  276.232   2.9203  763.839   16.121 1.047638 5.840604 
1 1 1  -10    4   22 o  200.661   3.2296  403.153   12.954 4.826630 6.459220 
1 1 1  -10    4   23 o  178.848   3.3146  320.606   11.851 -0.7180328 6.629129 
1 1 1  -10    4   24 o  175.342   3.2987  307.771   11.559 7.765335 6.597480 
1 1 1  -10    4   25 o   92.903   5.5830   87.015   10.368 4.012787 11.16592 
1 1 1  -10    4   26 o  234.161   2.9450  550.000   13.786 4.374313 5.890097 
1 1 1  -10    4   28 o  113.940   4.6374  131.431   10.526 -8.649658 9.274737 
1 1 1  -10    4   29 o  195.410   3.0716  383.433   11.993 0.1846466 6.143299 
1 1 1  -10    4   30 o  223.952   2.9421  502.133   13.135 1.194351 5.884187 
1 1 1  -10    4   31 o  145.709   3.8207  212.460   11.087 11.78749 7.641396 
1 1 1  -10    4   32 o   95.615   5.5877   93.484   10.603 -9.214104 11.17531 
1 1 1  -10    4   33 o   20.823   7.2261 -29.7219   10.400 -4.613840 14.45219 
1 1 1  -10    4   34 o   34.154   9.7053   5.5111   10.552 -8.226503 19.41067 
1 1 1  -10    4   35 o   68.688   8.1055   50.057   10.817 -1.781082 16.21110 
1 1 1  -10    4   36 o  115.790   4.9804  134.989   11.481 13.59198 9.960743 
1 1 1  -10    4   37 o  160.925   3.6422  261.352   11.707 -8.617706 7.284419 
1 1 1  -10    5    3 f  384.864   5.8252  1482.32   44.838      ?      ? 
1 1 1  -10    5    4 o  388.822   5.8812  1513.02   45.735      ?      ? 
1 1 1  -10    5    5 f  554.793   7.8416  3082.40   87.009      ?      ? 
1 1 1  -10    5    6 o  562.819   5.6358  3172.33   63.437 4.526184 11.27164 
1 1 1  -10    5    7 o  235.333   3.7614  552.816   17.660 -7.933365 7.522822 
1 1 1  -10    5    8 o  303.539   3.8160  921.788   23.138 -1.494019 7.632022 
1 1 1  -10    5    9 o  360.124   4.1071  1295.37   29.529 -11.38876 8.214131 
1 1 1  -10    5   10 o  372.967   4.2505  1338.46   30.935 -64.67572 8.500905 
1 1 1  -10    5   11 o  363.321   4.2365  1319.74   30.763 -10.56744 8.473057 
1 1 1  -10    5   12 o  449.218   4.7895  2018.11   43.000 12.08234 9.578957 
1 1 1  -10    5   13 o  521.938   4.6509  2726.93   45.630 0.3736572 9.301710 
1 1 1  -10    5   14 o  170.586   6.9822  291.456   23.821      ?      ? 
1 1 1  -10    5   15 o  213.486   3.7300  454.228   14.787 2.391907 7.459970 
1 1 1  -10    5   16 o  228.440   3.6929  521.139   15.603 1.379456 7.385773 
1 1 1  -10    5   17 o  143.564   3.9822  206.106   11.426 6.889618 7.964500 
1 1 1  -10    5   18 o  231.323   2.9694  535.799   13.733 -4.871109 5.938725 
1 1 1  -10    5   19 f  288.234   2.8981  831.816   16.702 -4.544952 5.796135 
1 1 1  -10    5   20 o  137.089   4.3546  189.410   11.872 -10.54436 8.709264 
1 1 1  -10    5   21 o  230.371   3.6075  522.787   15.595 10.90138 7.215002 
1 1 1  -10    5   22 o   24.290   8.1615 -19.7380   10.823 3.985838 16.32303 
1 1 1  -10    5   23 o  166.322   3.4171  277.198   11.357 1.726349 6.834229 
1 1 1  -10    5   24 o   83.863   6.3104   72.451   10.343 -18.70311 12.62074 
1 1 1  -10    5   25 o   74.811   6.8946   56.625   10.287 7.839890 13.78927 
1 1 1  -10    5   26 o  245.520   2.9724  605.108   14.589 -6.571411 5.944895 
1 1 1  -10    5   28 o  122.809   4.2881  152.080   10.513 -8.510262 8.576285 
1 1 1  -10    5   29 o   36.254   9.9005   9.8248   10.165 3.046429 19.80094 
1 1 1  -10    5   30 o  151.889   5.6098  231.394   17.041      ?      ? 
1 1 1  -10    5   31 o   55.510   9.4854   33.354   10.396 5.031315 18.97078 
1 1 1  -10    5   32 o   76.833   7.3997   62.296   10.456 32.77948 14.79930 
1 1 1  -10    5   33 o  127.128   4.2814  163.801   10.863 -3.973976 8.562785 
1 1 1  -10    5   34 o   58.681   9.2104   37.200   10.551 11.24312 18.42084 
1 1 1  -10    5   35 f   46.118   10.234   22.515   10.632 8.966637 20.46749 
1 1 1  -10    5   36 o   95.930   5.8269   93.805   11.161 7.665443 11.65373 
1 1 1  -10    5   37 o   31.078   9.3312   1.8738   10.111 -0.3852825 18.66239 
1 1 1  -10    6    3 o  291.851   5.0555  852.274   29.509      ?      ? 
1 1 1  -10    6    4 o  382.711   5.8188  1465.86   44.538      ?      ? 
1 1 1  -10    6    5 o  267.167   5.0515  714.226   26.992      ?      ? 
1 1 1  -10    6    6 o  164.298   4.4684  272.067   14.576 19.10643 8.936767 
1 1 1  -10    6    7 o  305.751   3.7916  933.495   23.159 18.80615 7.583123 
1 1 1  -10    6    8 o   95.159   7.6786   91.633   14.254 -26.57346 15.35729 
1 1 1  -10    6    9 o  547.012   5.5311  2996.02   60.502 7.615540 11.06222 
1 1 1  -10    6   10 o  445.998   4.7383  1987.64   42.205 -14.98511 9.476691 
1 1 1  -10    6   11 o  563.890   5.7162  3137.93   63.781 54.47559 11.43245 
1 1 1  -10    6   12 o  277.832   3.5365  782.841   18.635 -12.25000 7.073032 
1 1 1  -10    6   13 o  402.937   3.8686  1623.26   29.310 1.312195 7.737103 
1 1 1  -10    6   14 o   99.211   11.251   98.821   22.324      ?      ? 
1 1 1  -10    6   15 o  191.660   4.0653  375.095   14.333 -10.08922 8.130568 
1 1 1  -10    6   16 o  367.951   3.7213  1341.62   25.372 9.738586 7.442563 
1 1 1  -10    6   17 o  410.660   3.9473  1688.79   30.390 -0.1137085 7.894671 
1 1 1  -10    6   18 o  224.425   3.0304  504.133   13.597 0.7379303 6.060722 
1 1 1  -10    6   19 o  418.030   3.2616  1749.75   27.267 0.4542236 6.523175 
1 1 1  -10    6   20 o  145.296   4.1268  212.982   11.908 -16.31650 8.253677 
1 1 1  -10    6   21 o   67.644   8.5652   48.074   11.143 -15.41159 17.13042 
1 1 1  -10    6   22 o   96.586   5.6029   93.730   10.770 13.09586 11.20587 
1 1 1  -10    6   23 o  178.512   3.2419  319.231   11.566 2.620377 6.483843 
1 1 1  -10    6   24 o  137.202   3.9125  189.362   10.718 -4.860275 7.825085 
1 1 1  -10    6   25 o  167.521   3.4175  282.187   11.415 -15.11455 6.834951 
1 1 1  -10    6   27 o  177.495   4.8343  316.471   17.161      ?      ? 
1 1 1  -10    6   28 o   99.502   5.2140   99.970   10.349 10.03974 10.42800 
1 1 1  -10    6   29 o  238.622   2.8716  571.943   13.654 8.709030 5.743102 
1 1 1  -10    6   30 o  135.308   5.4722  183.838   14.809      ?      ? 
1 1 1  -10    6   31 o   89.064   5.8670   81.405   10.388 -6.407280 11.73408 
1 1 1  -10    6   32 o   97.463   5.4721   96.415   10.630 -7.706673 10.94416 
1 1 1  -10    6   33 o   39.871   10.082   14.727   10.320 -5.032566 20.16402 
1 1 1  -10    6   34 o  110.335   4.9786  123.582   10.955 -0.2612762 9.957212 
1 1 1  -10    6   35 o  108.335   5.1485  119.248   11.136 1.999481 10.29702 
1 1 1  -10    6   36 o   44.111   10.409   19.713   10.956 -7.199146 20.81787 
1 1 1  -10    6   37 o   66.131   10.937   50.152   13.483 4.852661 21.87417 
1 1 1  -10    7    3 o  288.537   5.1164  833.068   29.526      ?      ? 
1 1 1  -10    7    4 o  430.914   6.3326  1858.70   54.576      ?      ? 
1 1 1  -10    7    5 o  188.739   5.4352  356.484   20.517      ?      ? 
1 1 1  -10    7    6 o  358.755   5.6501  1288.06   40.540      ?      ? 
1 1 1  -10    7    7 o  222.268   3.9146  494.730   17.390 5.666931 7.829293 
1 1 1  -10    7    8 o  321.200   3.9863  968.321   24.723 -78.94180 7.972560 
1 1 1  -10    7    9 o  269.523   3.9778  726.053   21.414 19.65244 7.955582 
1 1 1  -10    7   10 f  330.904   4.0620  1086.06   26.747 -29.62473 8.123973 
1 1 1  -10    7   11 o  248.815   4.0563  619.234   20.179 -6.695358 8.112610 
1 1 1  -10    7   12 o  284.616   3.4821  824.782   18.690 -15.49893 6.964185 
1 1 1  -10    7   13 o   79.235   9.3555   74.819   12.500 -32.26437 18.71100 
1 1 1  -10    7   14 o  160.812   4.4916  259.466   13.405 -0.9324799 8.983269 
1 1 1  -10    7   15 o  111.977   6.2472  129.751   12.633 -8.711090 12.49441 
1 1 1  -10    7   16 o  221.244   3.7244  495.675   15.174 -6.668549 7.448782 
1 1 1  -10    7   17 o  416.426   3.9930  1740.84   31.205 -2.950775 7.986026 
1 1 1  -10    7   18 o  351.671   3.7377  1225.33   24.211 9.461121 7.475368 
1 1 1  -10    7   19 o  229.134   3.0185  526.250   13.807 -5.279205 6.037040 
1 1 1  -10    7   20 o  129.605   6.0768  168.403   15.752      ?      ? 
1 1 1  -10    7   21 o   71.681   7.5567   51.958   10.809 0.1986313 15.11334 
1 1 1  -10    7   22 o  260.236   2.8031  678.173   14.582 1.037903 5.606210 
1 1 1  -10    7   23 o   30.132   9.2356  -1.8453   10.286 2.221920 18.47128 
1 1 1  -10    7   24 o  150.786   3.6333  228.517   10.940 -3.888107 7.266686 
1 1 1  -10    7   25 o  126.467   8.2441  161.876   20.852      ?      ? 
1 1 1  -10    7   27 o  175.229   3.3632  309.089   11.767 -1.518524 6.726441 
1 1 1  -10    7   28 o  137.811   3.8665  190.719   10.645 8.587524 7.732905 
1 1 1  -10    7   29 o  263.391   2.8441  694.106   14.927 8.597565 5.688158 
1 1 1  -10    7   30 o  121.297   6.8110  148.845   16.523      ?      ? 
1 1 1  -10    7   31 o   38.232   10.011   12.009   10.350 8.454422 20.02281 
1 1 1  -10    7   32 o   33.813   13.702   5.7017   14.454      ?      ? 
1 1 1  -10    7   33 o   27.692   8.8521  -6.7101   10.419 1.232172 17.70419 
1 1 1  -10    7   34 o   75.458   7.1726   58.923   10.757 -1.913345 14.34528 
1 1 1  -10    7   35 o  124.898   4.5824  158.027   11.434 -0.3140335 9.164833 
1 1 1  -10    7   36 o   68.866   7.8934   48.843   10.862 3.413399 15.78681 
1 1 1  -10    8    2 o  380.381   5.8160  1448.11   44.246      ?      ? 
1 1 1  -10    8    3 o  614.515   8.6113  3783.21  105.836      ?      ? 
1 1 1  -10    8    4 o  452.794   6.6443  2052.46   60.170      ?      ? 
1 1 1  -10    8    5 o  439.830   6.4931  1936.50   57.117      ?      ? 
1 1 1  -10    8    6 o  374.024   5.8756  1400.12   43.952      ?      ? 
1 1 1  -10    8    7 o  463.060   4.8416  2118.80   44.427 -42.73734 9.683118 
1 1 1  -10    8    8 o  269.771   3.9747  695.106   20.945 -63.43048 7.949388 
1 1 1  -10    8    9 o  151.646   5.3758  232.032   16.162 20.83939 10.75152 
1 1 1  -10    8   10 o  279.366   3.9264  779.195   21.912 16.42868 7.852860 
1 1 1  -10    8   11 o   41.084   10.510 -11.4765   15.577 -35.42936 21.01933 
1 1 1  -10    8   12 o  272.923   3.4235  762.471   17.702 -20.80515 6.846955 
1 1 1  -10    8   13 f  306.607   3.4589  945.372   19.969 -4.540924 6.917752 
1 1 1  -10    8   14 o   77.331   9.5855   69.981   12.541 -25.81767 19.17097 
1 1 1  -10    8   15 o  189.525   3.9815  367.661   13.815 -10.86879 7.963049 
1 1 1  -10    8   16 o  227.310   3.7061  521.389   15.338 -4.421616 7.412279 
1 1 1  -10    8   17 o   56.105   9.4282   39.468   12.640 -40.22712 18.85647 
1 1 1  -10    8   18 o  249.746   3.6748  616.833   16.611 7.211960 7.349517 
1 1 1  -10    8   20 o  381.851   3.0967  1458.51   23.620 9.378662 6.193339 
1 1 1  -10    8   21 o  236.045   2.8687  558.197   13.529 -1.148209 5.737459 
1 1 1  -10    8   22 o  164.248   3.4169  270.923   11.204 -7.516586 6.833790 
1 1 1  -10    8   23 o   94.814   5.4597   90.566   10.347 0.9982071 10.91937 
1 1 1  -10    8   24 o  107.605   4.9303  117.319   10.541 -8.093353 9.860562 
1 1 1  -10    8   25 o  218.412   5.9201  480.526   25.860      ?      ? 
1 1 1  -10    8   26 o  118.859   6.7479  141.719   16.041      ?      ? 
1 1 1  -10    8   27 o   69.602   7.2395   49.283   10.039 8.547394 14.47896 
1 1 1  -10    8   28 o   35.178   9.4880   7.2845   9.8572 12.17191 18.97600 
1 1 1  -10    8   29 o   91.834   8.1150   84.874   14.905      ?      ? 
1 1 1  -10    8   30 o  120.911   4.3356  147.588   10.476 3.469955 8.671295 
1 1 1  -10    8   31 o   41.248   10.191   16.311   10.425 -4.475243 20.38182 
1 1 1  -10    8   32 o  160.612   3.6389  261.037   11.652 -6.712631 7.277802 
1 1 1  -10    8   33 o   28.293   8.8100  -6.4944   10.452 -8.884375 17.62007 
1 1 1  -10    8   34 o   42.772   10.413   18.506   10.772 0.6634140 20.82565 
1 1 1  -10    8   35 o   57.391   9.6282   36.198   10.899 -0.1958733 19.25632 
1 1 1  -10    8   36 o   63.949   8.6751   44.772   10.681 23.47581 17.35011 
1 1 1  -10    9    2 o  325.480   5.3869  1060.13   35.066      ?      ? 
1 1 1  -10    9    3 o  249.896   5.2285  624.894   26.132      ?      ? 
1 1 1  -10    9    4 f  370.468   5.8113  1373.60   43.058      ?      ? 
1 1 1  -10    9    5 o  359.379   5.7205  1292.57   41.116      ?      ? 
1 1 1  -10    9    6 o  471.124   6.9048  2222.26   65.060      ?      ? 
1 1 1  -10    9    7 o  625.615   6.2519  3913.77   78.110 22.22900 12.50377 
1 1 1  -10    9    8 o  288.595   3.9850  833.789   22.990 3.577759 7.970060 
1 1 1  -10    9    9 o  267.136   3.9050  712.603   20.835 -10.75659 7.810059 
1 1 1  -10    9   10 f   71.095   10.389   53.500   14.820 -38.86565 20.77800 
1 1 1  -10    9   11 o  129.562   6.0416  167.442   15.585 -17.40188 12.08325 
1 1 1  -10    9   12 o  165.552   6.8370  274.478   22.638      ?      ? 
1 1 1  -10    9   13 o  246.751   3.5368  622.579   16.392 -16.35918 7.073618 
1 1 1  -10    9   14 o  280.488   3.4645  794.543   18.144 -7.189056 6.929088 
1 1 1  -10    9   15 o   66.856   10.023   51.626   12.023 -20.03811 20.04558 
1 1 1  -10    9   16 o  230.505   3.6931  531.497   15.335 0.4431305 7.386294 
1 1 1  -10    9   17 o  513.679   4.6346  2620.84   44.128 12.08206 9.269247 
1 1 1  -10    9   18 o  305.676   3.6590  956.311   20.803 -19.05844 7.317996 
1 1 1  -10    9   19 o  263.950   6.1138  698.479   32.275      ?      ? 
1 1 1  -10    9   20 o  372.682   3.0583  1391.67   22.791 -3.039215 6.116647 
1 1 1  -10    9   21 f   92.536   5.6523   86.130   10.445 0.4135284 11.30457 
1 1 1  -10    9   22 o  128.989   4.0709  167.340   10.471 -3.705002 8.141742 
1 1 1  -10    9   23 o  110.948   4.7162  124.576   10.406 -9.791313 9.432446 
1 1 1  -10    9   24 o  122.924   4.3544  151.457   10.673 5.380875 8.708895 
1 1 1  -10    9   25 o  242.295   3.0308  585.908   14.641 10.74606 6.061658 
1 1 1  -10    9   26 o  170.555   3.6095  293.184   12.273 -7.667587 7.218949 
1 1 1  -10    9   27 o  170.890   3.2767  293.299   11.196 -5.718292 6.553479 
1 1 1  -10    9   28 o  149.738   3.6822  226.904   11.026 2.925903 7.364317 
1 1 1  -10    9   29 o  127.767   4.2648  164.246   10.876 -6.996338 8.529572 
1 1 1  -10    9   30 o   24.452   8.1132 -13.7914   10.075 -1.695223 16.22637 
1 1 1  -10    9   31 o  125.904   4.4267  161.233   11.036 -17.60174 8.853393 
1 1 1  -10    9   32 o   52.790   9.7569   29.850   10.557 15.29828 19.51373 
1 1 1  -10    9   33 o   32.635   9.6614   2.5470   10.607 6.079969 19.32289 
1 1 1  -10    9   34 o  105.146   5.2810  113.350   11.010 -5.468521 10.56206 
1 1 1  -10    9   35 o   31.618   9.4967  -0.1532   10.790 8.174271 18.99343 
1 1 1  -10    9   36 o  130.439   4.2793  171.923   11.106 -18.14138 8.558621 
1 1 1  -10   10    1 o  416.010   6.2015  1732.28   51.598      ?      ? 
1 1 1  -10   10    2 o  472.612   6.8584  2236.22   64.828      ?      ? 
1 1 1  -10   10    3 o  894.413   12.357  8030.30  221.039      ?      ? 
1 1 1  -10   10    4 o  663.873   9.2728  4416.90  123.120      ?      ? 
1 1 1  -10   10    5 o  812.082   11.253  6616.07  182.761      ?      ? 
1 1 1  -10   10    6 o  504.081   7.3181  2544.33   73.778      ?      ? 
1 1 1  -10   10    7 o  248.912   4.0347  618.667   20.011 30.03821 8.069468 
1 1 1  -10   10    8 o  618.164   6.1723  3826.34   76.266 -11.31659 12.34452 
1 1 1  -10   10    9 o  443.097   4.7119  1964.46   41.720 -8.838196 9.423775 
1 1 1  -10   10   10 o  247.990   3.9814  615.568   19.742 -1.343979 7.962874 
1 1 1  -10   10   11 o  271.177   3.8842  735.902   21.058 -2.104706 7.768499 
1 1 1  -10   10   12 o  463.581   4.2124  2135.41   36.497 9.628662 8.424829 
1 1 1  -10   10   13 o   71.193   9.6186   61.583   11.970 -31.22429 19.23722 
1 1 1  -10   10   14 o  233.772   3.5041  558.426   15.323 -14.35762 7.008134 
1 1 1  -10   10   15 o  309.243   3.4675  952.025   19.908 4.565521 6.935016 
1 1 1  -10   10   16 o  211.112   3.8058  445.386   14.521 0.9931946 7.611574 
1 1 1  -10   10   17 o  237.152   3.6884  569.607   15.926 -6.620956 7.376765 
1 1 1  -10   10   18 o  319.520   4.0345  1021.97   25.782      ?      ? 
1 1 1  -10   10   19 o  168.490   4.6358  291.792   13.845 -9.261200 9.271626 
1 1 1  -10   10   20 f  231.827   3.6510  534.237   15.406 4.511475 7.301983 
1 1 1  -10   10   21 o  202.785   2.9695  412.136   12.026 -1.398254 5.939006 
1 1 1  -10   10   22 o   96.427   5.2887   93.304   10.179 5.838852 10.57731 
1 1 1  -10   10   23 o  149.885   3.6239  226.546   10.811 -9.967697 7.247871 
1 1 1  -10   10   24 o   21.051   7.3115 -30.2589   10.567 3.406029 14.62296 
1 1 1  -10   10   26 o  130.217   4.1991  171.104   10.911 -1.881989 8.398234 
1 1 1  -10   10   27 o  120.167   4.4803  145.764   10.754 -5.512001 8.960560 
1 1 1  -10   10   28 o   31.996   9.8549  -2.1555   11.808 0.5298195 19.70982 
1 1 1  -10   10   29 o   87.642   6.6557   78.429   11.622 1.759438 13.31133 
1 1 1  -10   10   30 o  157.958   3.5963  251.807   11.343 -4.486572 7.192657 
1 1 1  -10   10   31 o   45.884   9.7011   21.526   10.588 -20.42317 19.40215 
1 1 1  -10   10   32 o  171.412   3.4430  297.354   11.721 -9.909241 6.886099 
1 1 1  -10   10   33 o   70.427   7.6501   51.443   10.699 -0.8607941 15.30023 
1 1 1  -10   10   34 o  142.328   4.0891  207.658   11.465 -18.05664 8.178121 
1 1 1  -10   10   35 o  165.467   3.6403  276.013   12.013 -3.079941 7.280629 
1 1 1  -10   10   36 o   74.484   6.9773   59.892   10.392 1.534630 13.95457 
1 1 1  -10   11    1 o  500.270   7.2119  2506.02   72.158      ?      ? 
1 1 1  -10   11    2 o  587.869   8.2877  3461.93   97.442      ?      ? 
1 1 1  -10   11    3 o  226.837   5.2737  514.907   23.925      ?      ? 
1 1 1  -10   11    4 o  251.643   5.2733  633.667   26.540      ?      ? 
1 1 1  -10   11    5 o  377.415   5.9344  1425.62   44.795      ?      ? 
1 1 1  -10   11    6 o  412.613   6.3000  1704.19   51.989      ?      ? 
1 1 1  -10   11    7 o  224.732   4.0365  505.363   18.124 14.14313 8.073040 
1 1 1  -10   11    8 o  349.861   4.0724  1221.98   28.445 -16.08011 8.144864 
1 1 1  -10   11    9 o  121.772   6.2520  150.486   14.917 -29.04852 12.50404 
1 1 1  -10   11   10 o  329.519   3.9640  1081.92   26.061 22.65695 7.927948 
1 1 1  -10   11   11 o  226.977   4.0007  515.328   18.150 -11.08147 8.001435 
1 1 1  -10   11   12 o  447.234   4.1002  1986.26   34.139 9.875366 8.200401 
1 1 1  -10   11   13 o  347.011   3.5402  1190.03   22.717 11.40369 7.080480 
1 1 1  -10   11   14 o  161.665   4.3306  267.518   12.712 -8.719666 8.661204 
1 1 1  -10   11   15 o  284.335   3.4388  810.246   18.070 -0.8048096 6.877512 
1 1 1  -10   11   16 o  221.430   3.7302  489.690   14.813 1.312851 7.460486 
1 1 1  -10   11   17 f  395.614   3.8932  1565.76   28.561 1.240631 7.786444 
1 1 1  -10   11   18 o  170.314   4.3327  274.656   13.334 21.42982 8.665367 
1 1 1  -10   11   19 o  161.952   4.5345  268.550   13.110 -7.523193 9.068923 
1 1 1  -10   11   20 o  238.667   3.5363  568.683   15.401 2.141647 7.072690 
1 1 1  -10   11   21 o  209.568   3.7099  439.409   14.029 1.037918 7.419734 
1 1 1  -10   11   22 o  135.499   3.8923  184.400   10.525 0.1135712 7.784684 
1 1 1  -10   11   23 o   84.233   6.1203   72.687   10.178 -10.68683 12.24069 
1 1 1  -10   11   25 o   23.193   7.8792 -23.3654   10.901 -2.832006 15.75834 
1 1 1  -10   11   26 o  100.495   5.0972  101.985   10.233 0.8806534 10.19439 
1 1 1  -10   11   27 o   72.766   7.7951   55.561   10.909 18.09694 15.59022 
1 1 1  -10   11   29 o   71.673   7.8363   52.797   11.198 6.638847 15.67265 
1 1 1  -10   11   30 o   26.308   8.5746 -10.8973   10.533 -2.113358 17.14911 
1 1 1  -10   11   31 o   47.705   10.196   25.040   10.691 -7.257313 20.39197 
1 1 1  -10   11   32 o  145.898   3.9231  216.229   11.370 -10.58443 7.846179 
1 1 1  -10   11   33 o   79.252   6.7754   64.134   10.671 12.24332 13.55082 
1 1 1  -10   11   34 o  132.176   4.2817  177.025   11.241 -1.886719 8.563377 
1 1 1  -10   11   35 o   83.922   6.5034   71.832   10.898 3.252014 13.00671 
1 1 1  -10   12    1 o  278.571   5.2471  776.529   29.234      ?      ? 
1 1 1  -10   12    2 f  383.035   5.9008  1468.39   45.204      ?      ? 
1 1 1  -10   12    3 o  345.144   5.5363  1192.15   38.216      ?      ? 
1 1 1  -10   12    4 o  500.334   7.1914  2506.83   71.962      ?      ? 
1 1 1  -10   12    5 o  246.788   5.3826  609.583   26.567      ?      ? 
1 1 1  -10   12    6 o  358.080   5.7845  1283.69   41.426      ?      ? 
1 1 1  -10   12    7 o  539.706   5.4665  2917.92   58.994 6.875000 10.93298 
1 1 1  -10   12    8 o  290.037   3.8750  841.718   22.471 3.892242 7.750007 
1 1 1  -10   12    9 o  465.585   4.8517  2167.50   45.124 14.97073 9.703424 
1 1 1  -10   12   10 o  295.507   3.8463  874.171   22.730 -5.148193 7.692602 
1 1 1  -10   12   11 o  382.078   4.2428  1461.19   32.413 -9.731201 8.485686 
1 1 1  -10   12   12 o  414.191   3.8607  1714.94   29.944 1.790466 7.721320 
1 1 1  -10   12   13 o  147.428   4.5096  223.636   11.891 -9.232971 9.019221 
1 1 1  -10   12   14 o  110.019   6.0755  128.815   11.546 -13.98405 12.15109 
1 1 1  -10   12   15 o  164.254   4.2290  264.772   12.456 7.451569 8.457957 
1 1 1  -10   12   16 o  255.678   3.5414  652.847   16.308 1.504425 7.082819 
1 1 1  -10   12   17 o  192.886   4.0281  369.053   13.778 4.077286 8.056205 
1 1 1  -10   12   18 o   51.945   9.1543   32.566   11.749 -35.71114 18.30857 
1 1 1  -10   12   19 o   28.940   9.4013 -10.2197   11.314 6.708179 18.80266 
1 1 1  -10   12   20 o  326.788   3.4994  1057.35   20.992 9.933136 6.998745 
1 1 1  -10   12   21 o   26.661   8.8208 -14.0399   11.287 0.1904297 17.64153 
1 1 1  -10   12   22 o  254.476   3.4194  640.698   15.788 8.045975 6.838858 
1 1 1  -10   12   23 o  143.127   5.2612  206.051   15.060      ?      ? 
1 1 1  -10   12   24 o  365.895   4.2445  1340.27   31.061      ?      ? 
1 1 1  -10   12   25 o   24.858   8.1748 -13.4669   10.121 -4.216095 16.34954 
1 1 1  -10   12   26 f   32.029   9.4160   3.0025   10.007 -1.827236 18.83199 
1 1 1  -10   12   27 o   76.863   7.3969   60.483   11.353 -1.461525 14.79374 
1 1 1  -10   12   29 o   58.408   9.4856   37.328   10.854 -1.309669 18.97116 
1 1 1  -10   12   30 o  153.836   5.2842  237.973   16.258      ?      ? 
1 1 1  -10   12   31 o   94.344   5.7280   90.323   10.785 4.543213 11.45606 
1 1 1  -10   12   32 o   35.268   9.8694   8.0677   10.395 -2.823284 19.73883 
1 1 1  -10   12   33 o   80.575   6.6684   67.189   10.661 -3.643814 13.33679 
1 1 1  -10   12   34 o   43.378   9.8791   16.718   10.667 21.54040 19.75816 
1 1 1  -10   12   35 o   48.628   9.9670   25.918   10.413 -9.134159 19.93391 
1 1 1  -10   13    1 o  268.078   5.2034  719.287   27.898      ?      ? 
1 1 1  -10   13    2 o  554.659   7.8541  3082.81   87.126      ?      ? 
1 1 1  -10   13    3 o  258.220   5.1693  667.391   26.696      ?      ? 
1 1 1  -10   13    4 o  118.729   8.0508  141.280   19.117      ?      ? 
1 1 1  -10   13    5 o  194.257   5.6222  377.750   21.843      ?      ? 
1 1 1  -10   13    6 o  312.683   5.4105  978.605   33.835      ?      ? 
1 1 1  -10   13    7 o  259.502   3.7792  668.594   19.534 27.96793 7.558388 
1 1 1  -10   13    8 o  438.651   4.6389  1921.43   40.612 19.11353 9.277781 
1 1 1  -10   13    9 o  410.399   4.4054  1686.69   36.156 -2.755859 8.810827 
1 1 1  -10   13   10 o  244.131   3.7924  596.697   18.515 -4.429337 7.584817 
1 1 1  -10   13   11 o  312.317   3.8719  976.117   24.174 6.544647 7.743730 
1 1 1  -10   13   12 o  128.551   4.9653  173.365   11.382 -14.06129 9.930530 
1 1 1  -10   13   13 o  161.976   4.1545  272.109   12.001 -13.19386 8.309078 
1 1 1  -10   13   14 o  389.688   3.7529  1496.37   26.809 15.40823 7.505842 
1 1 1  -10   13   15 o   38.593   8.7100   6.9448   11.566 -29.48265 17.42007 
1 1 1  -10   13   16 o  410.393   3.9460  1641.08   29.268 25.72073 7.891997 
1 1 1  -10   13   17 o  181.579   4.2703  353.688   13.421 -26.96164 8.540539 
1 1 1  -10   13   18 o  356.798   3.6180  1269.35   23.830 4.664673 7.235983 
1 1 1  -10   13   19 o  328.211   3.5203  1079.10   21.269 0.4419250 7.040652 
1 1 1  -10   13   20 o  140.840   4.7459  203.672   11.817 -6.830307 9.491785 
1 1 1  -10   13   21 o  145.281   4.7072  214.435   11.877 -3.261566 9.414394 
1 1 1  -10   13   22 o  348.920   3.6730  1191.21   22.969 19.71292 7.345959 
1 1 1  -10   13   23 o  355.550   6.1959  1267.55   44.059      ?      ? 
1 1 1  -10   13   24 o  178.969   4.4335  321.825   15.869      ?      ? 
1 1 1  -10   13   25 o  165.686   3.2849  276.094   10.865 -4.175934 6.569776 
1 1 1  -10   13   26 o  102.307   5.1373  106.752   10.488 0.6199646 10.27458 
1 1 1  -10   13   27 o  152.931   5.6972  234.598   17.426      ?      ? 
1 1 1  -10   13   28 o   44.189   10.376   19.336   10.947 10.76439 20.75266 
1 1 1  -10   13   29 o   75.013   7.2004   58.608   10.604 -14.49590 14.40089 
1 1 1  -10   13   30 o   31.340   9.3693   0.8983   10.287 7.653091 18.73853 
1 1 1  -10   13   31 o   43.528   10.158   19.340   10.256 5.618130 20.31529 
1 1 1  -10   13   32 o   31.577   9.4190   2.1272   10.294 -2.951466 18.83798 
1 1 1  -10   13   33 o   76.084   7.1599   61.100   10.610 -11.53218 14.31985 
1 1 1  -10   13   34 o  123.685   4.3973  153.884   10.823 4.484459 8.794551 
1 1 1  -10   14    1 o  440.304   6.4796  1941.27   57.060      ?      ? 
1 1 1  -10   14    2 o  624.827   8.7551  3913.53  109.409      ?      ? 
1 1 1  -10   14    3 o  431.218   6.4126  1861.90   55.305      ?      ? 
1 1 1  -10   14    4 o  394.790   6.0323  1560.42   47.630      ?      ? 
1 1 1  -10   14    5 o  506.530   7.2840  2570.36   73.792      ?      ? 
1 1 1  -10   14    6 o  168.819   6.2173  285.404   20.992      ?      ? 
1 1 1  -10   14    7 f  154.076   4.7921  237.763   14.763 -5.260223 9.584120 
1 1 1  -10   14    8 o  502.918   5.1221  2534.72   51.514 -1.656311 10.24411 
1 1 1  -10   14    9 o  231.093   3.7857  533.591   17.475 -9.616364 7.571472 
1 1 1  -10   14   10 o  332.466   3.9077  1104.63   25.948 12.88397 7.815395 
1 1 1  -10   14   11 o  337.224   3.9457  1138.84   26.604 2.483459 7.891335 
1 1 1  -10   14   12 o  103.195   6.3325  120.743   10.842 -26.62161 12.66509 
1 1 1  -10   14   13 o  377.795   3.6484  1427.28   25.626 1.438507 7.296706 
1 1 1  -10   14   14 o  276.826   3.3879  776.601   17.257 -8.767944 6.775880 
1 1 1  -10   14   15 o  346.021   3.9775  1198.59   27.526      ?      ? 
1 1 1  -10   14   16 o  285.944   3.4138  825.885   17.909 -5.990906 6.827666 
1 1 1  -10   14   17 o   91.279   7.1004   90.601   10.988 -14.60316 14.20089 
1 1 1  -10   14   18 o  105.128   5.9702  110.175   11.069 1.980812 11.94046 
1 1 1  -10   14   19 o  218.362   3.5667  483.670   13.923 -5.840164 7.133472 
1 1 1  -10   14   20 o  186.613   3.8518  346.078   12.683 3.792114 7.703654 
1 1 1  -10   14   21 o   59.381   10.338   35.529   10.897 6.452328 20.67567 
1 1 1  -10   14   22 o  119.007   6.1812  154.821   12.112 -19.02254 12.36247 
1 1 1  -10   14   23 o  124.594   5.7189  160.759   12.396 -7.878258 11.43775 
1 1 1  -10   14   24 o   66.556   9.8521   47.483   11.380 -4.657593 19.70425 
1 1 1  -10   14   25 o   85.106   7.6920   71.875   11.682 5.163048 15.38405 
1 1 1  -10   14   26 o   52.442   9.4836   29.824   10.518 -20.44591 18.96727 
1 1 1  -10   14   27 f   57.350   9.2267   36.185   10.600 -15.71224 18.45342 
1 1 1  -10   14   28 o  107.053   4.8617  116.259   10.389 0.1459503 9.723376 
1 1 1  -10   14   29 o  103.911   7.3664  109.168   15.309      ?      ? 
1 1 1  -10   14   30 o  105.354   4.8764  112.121   10.244 3.720749 9.752790 
1 1 1  -10   14   31 o   36.879   9.8984   10.988   10.086 -1.980709 19.79678 
1 1 1  -10   14   32 o  136.873   4.0000  191.469   10.804 -11.75482 7.999985 
1 1 1  -10   14   33 o   44.570   9.6430   20.944   10.303 -17.93112 19.28603 
1 1 1  -10   14   34 o   30.222   9.1433   0.6908   9.8266 -0.3651695 18.28654 
1 1 1  -10   15    1 o  705.539   6.9688  4994.90   98.324 -3.692749 13.93764 
1 1 1  -10   15    2 o  606.363   8.5295  3686.64  103.439      ?      ? 
1 1 1  -10   15    3 o  509.170   7.3116  2597.82   74.457      ?      ? 
1 1 1  -10   15    4 o  307.424   5.3308  946.161   32.777      ?      ? 
1 1 1  -10   15    5 o  104.716   8.8928  110.011   18.624      ?      ? 
1 1 1  -10   15    6 o  155.371   6.4311  241.830   19.984      ?      ? 
1 1 1  -10   15    7 o  226.895   3.6963  515.528   16.761 1.015808 7.392689 
1 1 1  -10   15    8 o  170.652   4.2116  291.695   14.374 -0.9321136 8.423161 
1 1 1  -10   15    9 f  105.523   6.3040  111.689   13.289 2.118088 12.60804 
1 1 1  -10   15   10 o   48.891   11.385   22.771   12.849 6.762962 22.76980 
1 1 1  -10   15   11 o   69.550   9.7411   50.654   13.145 -9.426620 19.48215 
1 1 1  -10   15   12 o   36.916   9.0986   9.6165   10.277 -18.77089 18.19718 
1 1 1  -10   15   13 f   99.552   6.5959  108.956   10.846 -17.80800 13.19181 
1 1 1  -10   15   15 o  253.252   3.3530  629.414   15.231 11.50447 6.705926 
1 1 1  -10   15   16 o   90.136   7.2016   91.345   10.590 -19.54015 14.40313 
1 1 1  -10   15   17 o  178.888   3.8082  321.378   12.015 -0.7312775 7.616446 
1 1 1  -10   15   18 o  173.983   4.0069  313.662   12.137 -12.03146 8.013790 
1 1 1  -10   15   19 o  189.727   3.8092  370.835   12.647 -10.76254 7.618495 
1 1 1  -10   15   20 o  318.544   3.4578  992.706   19.814 17.65439 6.915501 
1 1 1  -10   15   21 o   40.336   9.0831   12.740   11.505 -27.09813 18.16617 
1 1 1  -10   15   22 o  171.575   4.0251  266.135   12.594 39.86028 8.050199 
1 1 1  -10   15   23 o  123.852   5.4678  165.654   11.577 -17.53816 10.93556 
1 1 1  -10   15   24 o  143.288   4.4789  205.277   11.608 2.338181 8.957891 
1 1 1  -10   15   25 o   42.852   10.421   19.036   11.577 -12.66908 20.84298 
1 1 1  -10   15   26 o  105.516   5.9593  108.727   11.834 9.651726 11.91865 
1 1 1  -10   15   27 o   26.006   8.3653  -8.7792   9.7760 -5.134167 16.73061 
1 1 1  -10   15   28 o  120.845   6.0191  147.190   14.547      ?      ? 
1 1 1  -10   15   29 o  176.102   3.2818  312.817   11.536 -2.472549 6.563616 
1 1 1  -10   15   30 o   97.861   5.4613   98.893   10.533 -12.29015 10.92252 
1 1 1  -10   15   31 o   48.540   8.9788   25.496   10.422 -31.05295 17.95770 
1 1 1  -10   15   32 f   98.254   5.4819   97.896   10.697 3.536888 10.96384 
1 1 1  -10   15   33 o  109.523   4.9216  121.715   10.662 -2.021317 9.843160 
1 1 1  -10   15   34 o   27.404   12.157   15.421   13.325      ?      ? 
1 1 1  -10   16    1 o  351.947   4.0246  1239.61   28.277 -3.505524 8.049253 
1 1 1  -10   16    2 o  410.080   6.1313  1684.39   50.287      ?      ? 
1 1 1  -10   16    3 o  754.165   10.488  5715.21  158.200      ?      ? 
1 1 1  -10   16    4 o  544.081   7.7285  2968.21   84.098      ?      ? 
1 1 1  -10   16    5 o  293.823   5.2819  864.443   31.039      ?      ? 
1 1 1  -10   16    6 o   83.362   11.061   69.909   18.441      ?      ? 
1 1 1  -10   16    7 o  106.300   5.9984  113.422   12.753 -0.4373856 11.99689 
1 1 1  -10   16    8 o  428.388   4.4928  1836.57   38.452 12.85403 8.985598 
1 1 1  -10   16    9 o  118.027   5.6258  139.754   13.237 0.6411896 11.25162 
1 1 1  -10   16   10 f  210.677   3.7791  443.167   15.831 6.094681 7.558110 
1 1 1  -10   16   11 o   97.169   6.9503   95.733   13.307 -5.125092 13.90070 
1 1 1  -10   16   12 o  169.386   3.9269  297.117   11.561 -11.93510 7.853892 
1 1 1  -10   16   13 o  254.994   3.5146  650.849   17.924      ?      ? 
1 1 1  -10   16   14 o   38.001   9.7903   11.974   10.252 -10.33672 19.58051 
1 1 1  -10   16   15 o  202.676   3.4724  414.375   12.462 -3.046112 6.944801 
1 1 1  -10   16   16 o  103.511   5.9995  116.840   10.314 -16.57722 11.99903 
1 1 1  -10   16   17 o  300.819   3.3535  912.609   18.482 -4.679413 6.707019 
1 1 1  -10   16   18 o  213.600   3.5247  459.006   13.244 -1.453278 7.049365 
1 1 1  -10   16   19 o  167.189   4.0220  288.527   11.689 -9.834671 8.044002 
1 1 1  -10   16   20 o  154.448   4.4316  251.502   12.058 -16.40608 8.863256 
1 1 1  -10   16   21 o  249.884   5.6178  625.585   28.076      ?      ? 
1 1 1  -10   16   22 o  185.908   3.8483  345.913   12.815 2.344635 7.696518 
1 1 1  -10   16   23 o   62.020   9.5969   45.674   10.682 -18.90837 19.19379 
1 1 1  -10   16   24 o  163.776   4.1399  273.397   12.374 -2.793152 8.279757 
1 1 1  -10   16   25 o  162.706   4.1597  263.861   12.768 2.991486 8.319435 
1 1 1  -10   16   26 o  106.218   6.0887  126.719   11.351 -27.87008 12.17746 
1 1 1  -10   16   27 o  169.420   4.0463  290.668   12.615 -2.193848 8.092595 
1 1 1  -10   16   28 f   61.666   10.137   43.581   11.750 -13.70102 20.27390 
1 1 1  -10   16   29 o  100.532   5.1623  103.588   10.269 -10.67479 10.32465 
1 1 1  -10   16   30 o   51.128   9.8250   28.347   10.300 6.350224 19.65003 
1 1 1  -10   16   31 o  214.746   3.0186  465.522   12.884 -7.462509 6.037247 
1 1 1  -10   16   32 o   32.519   9.6504   2.0708   10.454 7.542679 19.30085 
1 1 1  -10   16   33 o   86.498   6.1316   77.647   10.364 -6.570244 12.26320 
1 1 1  -10   17    1 o  277.665   3.7445  772.747   20.762 18.27521 7.488952 
1 1 1  -10   17    2 o  241.412   3.7329  585.482   17.963 18.67627 7.465873 
1 1 1  -10   17    3 f  157.898   6.0184  249.783   19.006      ?      ? 
1 1 1  -10   17    4 o  157.741   6.2135  249.331   19.602      ?      ? 
1 1 1  -10   17    5 o  181.034   5.7773  328.336   20.918      ?      ? 
1 1 1  -10   17    6 o  380.579   5.8730  1451.26   44.703      ?      ? 
1 1 1  -10   17    7 o  157.922   4.3573  250.479   13.723 -5.263565 8.714533 
1 1 1  -10   17    8 f  179.316   4.0092  322.760   14.344 -5.731522 8.018384 
1 1 1  -10   17    9 o  107.260   6.3788  121.578   12.990 -29.81850 12.75761 
1 1 1  -10   17   10 o  224.956   3.6858  508.298   16.492 -6.507645 7.371657 
1 1 1  -10   17   11 o  185.058   4.0747  339.329   14.912 13.47144 8.149473 
1 1 1  -10   17   12 f  341.956   3.8119  1170.88   26.070      ?      ? 
1 1 1  -10   17   13 o  213.278   3.5119  472.383   13.114 -16.59528 7.023869 
1 1 1  -10   17   14 o  479.069   4.3191  2270.75   38.011 16.27771 8.638237 
1 1 1  -10   17   15 o   78.637   8.8707   79.231   10.189 -32.80985 17.74133 
1 1 1  -10   17   16 o  148.183   4.1099  212.959   10.553 9.770844 8.219731 
1 1 1  -10   17   17 o  209.507   3.4792  447.719   12.805 -7.659317 6.958354 
1 1 1  -10   17   18 o  204.193   3.5468  416.774   12.787 1.467773 7.093528 
1 1 1  -10   17   19 f  182.809   3.9017  357.264   12.970 -31.54485 7.803340 
1 1 1  -10   17   20 o  183.231   3.7876  321.103   12.901 21.60912 7.575249 
1 1 1  -10   17   21 o  141.040   4.6079  206.831   11.602 -9.740128 9.215703 
1 1 1  -10   17   22 o  125.731   4.8576  159.388   10.974 -0.1130600 9.715198 
1 1 1  -10   17   23 o  120.056   4.9027  152.331   10.739 -13.91846 9.805412 
1 1 1  -10   17   24 o  241.914   5.4592  586.877   26.413      ?      ? 
1 1 1  -10   17   25 o   53.527   7.3589   35.431   11.207 -57.22444 14.71788 
1 1 1  -10   17   26 o  189.947   3.6059  367.623   12.739 -6.331894 7.211768 
1 1 1  -10   17   27 o  135.388   4.5540  175.046   11.613 20.26731 9.108007 
1 1 1  -10   17   28 o  106.794   5.7406  112.970   11.288 6.873596 11.48126 
1 1 1  -10   17   29 o   26.880   8.9072 -12.1976   11.049 3.712732 17.81447 
1 1 1  -10   17   30 o   79.898   7.7993   63.757   11.520 7.758675 15.59861 
1 1 1  -10   17   31 o   97.104   5.4530   95.852   10.506 1.910599 10.90610 
1 1 1  -10   17   32 o  101.161   5.1762  104.283   10.331 -3.548859 10.35236 
1 1 1  -10   18    1 o  363.811   4.0521  1323.71   29.416 -9.107178 8.104261 
1 1 1  -10   18    2 o  180.462   4.1351  327.137   14.799 3.724564 8.270192 
1 1 1  -10   18    3 f  120.965   5.6279  146.041   13.546 -6.440331 11.25587 
1 1 1  -10   18    4 o  146.955   6.4003  216.494   18.811      ?      ? 
1 1 1  -10   18    5 o  173.922   5.7481  303.102   19.995      ?      ? 
1 1 1  -10   18    6 o  174.045   5.9531  303.577   20.722      ?      ? 
1 1 1  -10   18    7 o  197.585   3.8408  390.303   15.114 4.186050 7.681641 
1 1 1  -10   18    8 o  147.039   4.6496  212.136   13.519 22.17831 9.299152 
1 1 1  -10   18    9 o  151.337   4.6607  233.002   13.845 -13.53053 9.321351 
1 1 1  -10   18   10 o   27.060   8.8816 -19.8000   12.412 -7.515800 17.76312 
1 1 1  -10   18   11 o  191.817   3.9558  370.430   15.016 -5.141190 7.911507 
1 1 1  -10   18   12 o  409.128   3.8014  1651.10   28.446 15.86624 7.602848 
1 1 1  -10   18   13 o  348.782   3.4590  1215.78   22.225 2.373779 6.917992 
1 1 1  -10   18   14 o  106.762   9.7738  115.241   20.869      ?      ? 
1 1 1  -10   18   15 o  259.095   3.2724  663.952   14.974 7.224243 6.544813 
1 1 1  -10   18   16 o   77.141   8.5330   67.822   9.7532 -14.67702 17.06606 
1 1 1  -10   18   17 o   88.691   6.9151   82.662   10.118 -6.474045 13.83015 
1 1 1  -10   18   18 o   88.707   9.0775  122.875   11.507 -78.00084 18.15490 
1 1 1  -10   18   19 o  296.829   5.5313  882.674   32.837      ?      ? 
1 1 1  -10   18   20 o  235.292   3.3341  562.174   14.440 -6.188705 6.668290 
1 1 1  -10   18   21 o   41.292   10.301   16.345   10.071 -2.427670 20.60272 
1 1 1  -10   18   22 o   95.542   6.3712   97.010   10.708 -9.543396 12.74242 
1 1 1  -10   18   23 o   71.802   8.6458   70.763   11.236 -61.21342 17.29157 
1 1 1  -10   18   24 o   44.007   8.6231   18.695   10.898 -33.70622 17.24615 
1 1 1  -10   18   25 o   99.211   6.6780  102.476   13.056 -15.58202 13.35595 
1 1 1  -10   18   26 o  139.467   4.4071  189.335   11.327 11.61037 8.814231 
1 1 1  -10   18   27 o  105.243   5.8711  116.905   11.043 -8.780769 11.74219 
1 1 1  -10   18   28 o   44.808   10.860   19.058   10.849 8.352528 21.72073 
1 1 1  -10   18   29 o  186.753   3.8194  356.072   12.952 -5.843582 7.638737 
1 1 1  -10   18   30 f  152.065   7.4347  235.177   22.611      ?      ? 
1 1 1  -10   18   31 o  103.805   5.9748  107.204   11.593 6.031494 11.94956 
1 1 1  -10   18   32 o   57.042   9.7668   35.740   10.598 6.010921 19.53366 
1 1 1  -10   19    1 o  432.397   4.5267  1874.29   39.144 6.295715 9.053310 
1 1 1  -10   19    2 o  296.536   3.7308  879.394   22.100 20.26947 7.461652 
1 1 1  -10   19    3 o  280.119   3.7078  784.851   20.738 22.76413 7.415589 
1 1 1  -10   19    4 o  260.139   5.0615  677.799   26.334      ?      ? 
1 1 1  -10   19    5 o  407.784   6.1381  1666.93   50.060      ?      ? 
1 1 1  -10   19    6 o  232.566   5.2271  541.914   24.313      ?      ? 
1 1 1  -10   19    7 o  270.564   3.6215  731.915   19.545 8.043091 7.243063 
1 1 1  -10   19    8 f  178.728   4.0439  322.353   14.319 -9.089966 8.087726 
1 1 1  -10   19    9 o   64.399   9.7078   47.496   12.375 -30.72709 19.41566 
1 1 1  -10   19   10 o  180.156   3.9084  320.730   13.842 13.59064 7.816711 
1 1 1  -10   19   11 o   48.676   10.093   24.536   12.075 -24.52280 20.18656 
1 1 1  -10   19   12 o  317.751   3.2764  999.304   18.895 9.167542 6.552806 
1 1 1  -10   19   13 o  112.745   5.4985  143.345   9.6886 -23.18455 10.99694 
1 1 1  -10   19   14 o  253.126   3.2036  627.135   14.202 12.17830 6.407216 
1 1 1  -10   19   15 o   81.797   7.7906   75.649   9.5626 -15.28280 15.58110 
1 1 1  -10   19   16 o  350.954   3.5230  1226.53   22.550 6.658081 7.046056 
1 1 1  -10   19   17 o  251.382   3.4163  632.122   15.476 1.159866 6.832662 
1 1 1  -10   19   18 o  367.575   6.1048  1354.51   44.880      ?      ? 
1 1 1  -10   19   19 o  258.751   3.3557  673.594   15.654 -0.6997070 6.711313 
1 1 1  -10   19   20 o  137.799   4.2889  194.049   10.317 -4.593582 8.577737 
1 1 1  -10   19   21 o   60.776   9.2441   45.249   9.9656 -21.39105 18.48813 
1 1 1  -10   19   22 o  115.490   6.3022  162.361   11.851 -59.94501 12.60435 
1 1 1  -10   19   24 o   37.460   9.8959   12.073   9.9972 -4.193741 19.79178 
1 1 1  -10   19   25 o  103.569   9.6580  109.401   20.005      ?      ? 
1 1 1  -10   19   26 o  102.476   6.1734  113.846   10.926 -13.50269 12.34682 
1 1 1  -10   19   27 f   97.724   6.0613   92.630   10.828 11.33047 12.12254 
1 1 1  -10   19   28 o   34.893   9.5590   6.5819   10.890 -12.49440 19.11806 
1 1 1  -10   19   29 o   41.918   10.369   17.704   11.074 -9.235722 20.73736 
1 1 1  -10   19   30 o  115.394   5.7022  140.268   11.670 -9.973679 11.40436 
1 1 1  -10   19   31 o   42.048   9.9851   17.269   11.221 -17.17312 19.97019 
1 1 1  -10   20    1 o  209.631   3.7644  442.263   15.689 25.89525 7.528728 
1 1 1  -10   20    2 o  215.555   3.6607  466.080   15.730 2.657761 7.321334 
1 1 1  -10   20    3 o  263.146   3.6238  694.830   19.039 6.145538 7.247687 
1 1 1  -10   20    4 o  193.855   3.8654  377.913   14.936 16.66272 7.730808 
1 1 1  -10   20    5 o  173.782   5.7355  302.981   19.935      ?      ? 
1 1 1  -10   20    6 o  235.259   5.2380  555.006   24.646      ?      ? 
1 1 1  -10   20    7 o  310.613   3.7149  963.641   22.979 12.28610 7.429847 
1 1 1  -10   20    8 o  259.203   3.5832  667.353   18.423 17.50154 7.166432 
1 1 1  -10   20    9 o  121.239   5.2153  148.592   12.443 -3.937439 10.43063 
1 1 1  -10   20   10 o  148.241   4.3796  224.259   12.639 -11.88287 8.759254 
1 1 1  -10   20   11 o  157.785   4.2471  254.198   13.058 -13.42357 8.494106 
1 1 1  -10   20   12 o  135.626   4.8952  189.685   12.577 -11.41525 9.790395 
1 1 1  -10   20   13 o  319.881   3.3512  991.032   18.779 22.21045 6.702497 
1 1 1  -10   20   14 o   49.464   8.7401   31.713   9.1719 -27.24368 17.48018 
1 1 1  -10   20   15 o  149.401   4.3478  243.518   10.911 -24.77632 8.695642 
1 1 1  -10   20   16 o  254.629   5.6789  649.835   28.920      ?      ? 
1 1 1  -10   20   17 o  253.869   3.4214  603.180   15.317 34.74023 6.842728 
1 1 1  -10   20   18 f  132.595   4.7734  189.363   10.650 -17.87197 9.546791 
1 1 1  -10   20   19 o   73.794   7.3686   52.822   9.5596 7.251854 14.73729 
1 1 1  -10   20   20 o  111.672   5.1160  133.372   9.9624 -13.33717 10.23209 
1 1 1  -10   20   21 o  136.862   4.7027  204.778   11.452 -30.99265 9.405392 
1 1 1  -10   20   22 o   35.563   9.8976   7.5955   10.855 -7.466730 19.79519 
1 1 1  -10   20   23 o  313.314   3.2797  997.867   19.467 -10.73642 6.559428 
1 1 1  -10   20   24 o   73.041   8.3637   62.309   10.227 -21.51958 16.72739 
1 1 1  -10   20   25 o   50.438   16.661   27.444   19.530      ?      ? 
1 1 1  -10   20   26 o   81.018   7.1938   66.878   10.614 1.102264 14.38770 
1 1 1  -10   20   27 o   34.059   10.009   5.1026   10.656 1.623722 20.01810 
1 1 1  -10   20   28 o   31.091   9.7161  -3.5384   10.866 10.66808 19.43223 
1 1 1  -10   20   29 o  109.342   5.7266  128.478   11.112 -14.66538 11.45320 
1 1 1  -10   20   30 o   64.002   9.4889   42.662   11.048 5.745899 18.97782 
1 1 1  -10   21    1 o  260.052   3.5014  677.040   18.135 -3.438568 7.002894 
1 1 1  -10   21    2 o  285.969   3.5900  820.420   20.514 6.222473 7.179907 
1 1 1  -10   21    3 f  328.900   3.8027  1082.12   24.941 -9.795288 7.605378 
1 1 1  -10   21    4 o  217.930   3.6571  475.779   15.909 -2.568146 7.314296 
1 1 1  -10   21    5 o  105.307   8.3707  111.659   17.630      ?      ? 
1 1 1  -10   21    6 o  170.853   3.9376  294.546   13.290 -6.980225 7.875230 
1 1 1  -10   21    7 o  366.888   5.5433  1350.69   40.676      ?      ? 
1 1 1  -10   21    8 o   79.895   8.2537   72.694   11.505 -28.64632 16.50737 
1 1 1  -10   21    9 o  156.127   4.0637  243.919   12.479 2.898254 8.127445 
1 1 1  -10   21   10 o   83.634   7.8344   78.906   11.409 -25.87204 15.66874 
1 1 1  -10   21   11 o  317.867   3.7423  1012.95   23.677 4.855957 7.484549 
1 1 1  -10   21   12 o  233.841   3.5384  546.380   16.314 6.042297 7.076711 
1 1 1  -10   21   13 o  156.868   3.8769  254.358   10.196 -8.583191 7.753779 
1 1 1  -10   21   14 o   88.769   8.4171  141.789   10.432 -97.54067 16.83420 
1 1 1  -10   21   15 o  187.033   3.6240  278.983   11.756 79.40585 7.247926 
1 1 1  -10   21   17 o   93.408   6.0816   90.935   9.6977 -5.813293 12.16319 
1 1 1  -10   21   18 o  170.236   3.5829  290.645   10.667 0.3996735 7.165715 
1 1 1  -10   21   19 o  148.111   4.0375  231.037   10.574 -13.54326 8.074934 
1 1 1  -10   21   20 o  153.880   3.8360  246.103   10.957 -16.49281 7.672036 
1 1 1  -10   21   21 o  103.558   5.2104  113.016   9.8525 -11.14594 10.42085 
1 1 1  -10   21   22 o   90.548   6.0818   85.864   9.6482 -5.746117 12.16367 
1 1 1  -10   21   23 o  139.500   4.5053  209.745   10.856 -20.90521 9.010543 
1 1 1  -10   21   24 o  198.594   3.5040  408.090   12.682 -13.85358 7.008052 
1 1 1  -10   21   25 o  101.874   5.6930  101.680   10.729 9.332451 11.38603 
1 1 1  -10   21   26 o   59.931   9.5511   40.628   10.607 -10.91634 19.10228 
1 1 1  -10   21   27 o   31.478   9.6725   0.4193   10.531 4.312536 19.34493 
1 1 1  -10   21   28 o   52.367   10.116   31.303   10.558 -8.005600 20.23116 
1 1 1  -10   21   29 o   93.077   6.1567   83.870   10.814 13.32322 12.31330 
1 1 1  -10   21   30 o   41.051   10.552   42.107   10.956 3.339531 21.10384 
1 1 1  -10   22    1 o  258.702   3.4687  670.359   17.857 -2.630737 6.937452 
1 1 1  -10   22    2 o  207.930   3.5674  432.320   14.746 -5.324768 7.134774 
1 1 1  -10   22    3 o  176.505   3.8835  309.571   13.639 -17.73981 7.767100 
1 1 1  -10   22    4 o  128.801   4.8842  165.982   12.547 -9.147911 9.768322 
1 1 1  -10   22    5 o   87.660   6.9523   77.642   12.179 -3.497238 13.90451 
1 1 1  -10   22    6 o  151.234   4.4244  242.659   12.393 -66.21043 8.848772 
1 1 1  -10   22    7 o   69.103   8.7673   56.735   10.939 -35.33350 17.53456 
1 1 1  -10   22    8 f  230.712   3.4132  533.188   15.627 3.027283 6.826413 
1 1 1  -10   22    9 o  214.291   3.5170  463.556   14.879 -8.623123 7.034025 
1 1 1  -10   22   10 o   58.166   9.2131   40.603   11.181 -33.54460 18.42622 
1 1 1  -10   22   11 o  106.896   5.9401  120.294   12.020 -15.25871 11.88030 
1 1 1  -10   22   12 o  114.269   5.8157  138.200   12.546 -22.20722 11.63141 
1 1 1  -10   22   13 o  177.598   3.6763  315.661   13.058      ?      ? 
1 1 1  -10   22   14 o  105.960   5.6649  124.568   10.106 -21.70218 11.32989 
1 1 1  -10   22   15 o  160.825   3.9830  281.760   10.808 -26.72565 7.965990 
1 1 1  -10   22   16 o  227.911   3.2143  520.573   12.793 0.5138550 6.428537 
1 1 1  -10   22   17 o  240.472   5.4142  582.140   26.039      ?      ? 
1 1 1  -10   22   19 o  252.702   3.1385  557.613   13.800 64.91026 6.277090 
1 1 1  -10   22   21 o  112.677   4.8619  130.344   9.5596 -3.610413 9.723822 
1 1 1  -10   22   22 o  228.399   3.2194  518.404   13.322 5.203629 6.438798 
1 1 1  -10   22   23 o   65.700   8.7900   47.609   9.9483 -6.992958 17.58006 
1 1 1  -10   22   24 o   95.712   6.2126   99.135   10.297 -13.25746 12.42515 
1 1 1  -10   22   25 f  109.372   5.5269  130.557   10.604 -19.09107 11.05377 
1 1 1  -10   22   26 o   25.955   8.5881 -11.1645   10.216 4.688158 17.17613 
1 1 1  -10   22   27 o  105.514   5.7023  119.189   10.627 -12.82575 11.40450 
1 1 1  -10   22   28 f  101.129   5.8399  106.384   10.871 -6.840401 11.67980 
1 1 1  -10   22   29 o  111.260   4.7185  128.586   10.182 -1.648506 9.436954 
1 1 1  -10   23    1 o  264.240   3.4402  701.482   18.156 8.524597 6.880398 
1 1 1  -10   23    2 o  206.502   3.5129  428.947   14.475 11.54533 7.025886 
1 1 1  -10   23    3 o  239.620   3.4623  575.995   16.573 -1.688248 6.924528 
1 1 1  -10   23    4 o  233.043   4.9591  545.053   23.114      ?      ? 
1 1 1  -10   23    5 o  144.566   4.3815  210.153   12.620 16.83922 8.763039 
1 1 1  -10   23    6 o  192.550   3.1244  368.708   11.029 3.796875 6.248856 
1 1 1  -10   23    7 o  173.939   3.6716  306.101   12.590 -8.648682 7.343186 
1 1 1  -10   23    8 o   58.970   9.6960   35.439   11.113 17.81622 19.39204 
1 1 1  -10   23    9 o  131.776   4.7329  172.908   12.186 7.402817 9.465811 
1 1 1  -10   23   10 o  120.181   5.4788  152.596   12.440 -24.65752 10.95756 
1 1 1  -10   23   11 o  125.259   5.0958  148.731   12.386 39.75861 10.19155 
1 1 1  -10   23   12 o  135.594   4.7997  191.814   12.471 -21.41860 9.599369 
1 1 1  -10   23   13 o   85.400   7.3434   94.511   8.7437 -37.58988 14.68681 
1 1 1  -10   23   14 o  167.975   3.4255  288.040   9.8518 -5.704132 6.851092 
1 1 1  -10   23   15 f  125.783   4.2957  160.236   8.9015 -1.696724 8.591490 
1 1 1  -10   23   16 o   44.851   7.7889   26.763   8.8336 -32.98363 15.57784 
1 1 1  -10   23   17 o  172.575   6.0119  298.919   20.750      ?      ? 
1 1 1  -10   23   18 o  122.402   7.2380  151.293   17.719      ?      ? 
1 1 1  -10   23   19 o  124.558   4.5493  177.439   9.5871 -36.47478 9.098656 
1 1 1  -10   23   20 o   94.662   6.0328   99.266   9.3586 -16.16212 12.06564 
1 1 1  -10   23   21 f  169.956   6.3412  291.137   21.555      ?      ? 
1 1 1  -10   23   22 o  117.335   4.8704  139.979   10.132 -0.8307343 9.740710 
1 1 1  -10   23   23 o   38.739   9.5070   14.736   9.7093 -11.94945 19.01408 
1 1 1  -10   23   24 o   39.062   10.776   11.369   12.120 -0.8098297 21.55122 
1 1 1  -10   23   25 o   72.966   8.3392   60.829   10.135 -14.77242 16.67834 
1 1 1  -10   23   26 o   65.510   9.0877   53.415   10.257 -25.68573 18.17532 
1 1 1  -10   23   27 f  182.641   3.6429  342.071   12.189 -9.238846 7.285884 
1 1 1  -10   23   28 o   70.448   8.5869   57.859   11.001 -17.40387 17.17381 
1 1 1  -10   24    1 o  204.764   3.5641  419.047   14.553 -12.42403 7.128120 
1 1 1  -10   24    2 o  131.559   4.4923  170.290   11.678 -26.03658 8.984541 
1 1 1  -10   24    3 o  130.819   4.6317  170.190   11.859 -37.93490 9.263481 
1 1 1  -10   24    4 o  280.523   3.5310  781.541   19.663 -27.05106 7.061922 
1 1 1  -10   24    5 o  161.135   4.2348  261.032   13.452 -36.82976 8.469559 
1 1 1  -10   24    6 o  335.534   3.3375  1154.64   21.504 -30.44092 6.675006 
1 1 1  -10   24    7 o  293.152   5.2129  861.062   30.563      ?      ? 
1 1 1  -10   24    8 o  349.507   3.9514  1223.61   27.616 -9.040375 7.902814 
1 1 1  -10   24    9 o  310.365   3.6991  960.050   22.831 16.62119 7.398155 
1 1 1  -10   24   10 f  247.374   3.4717  617.533   17.131 -13.74567 6.943352 
1 1 1  -10   24   11 o  193.507   3.5556  375.800   13.502 1.347351 7.111130 
1 1 1  -10   24   12 o  224.417   3.3897  505.571   14.949 0.8233032 6.779446 
1 1 1  -10   24   13 o  143.513   4.3527  208.145   11.801 -1.612000 8.705487 
1 1 1  -10   24   14 o   82.083   8.1675   89.575   8.7780 -34.46348 16.33507 
1 1 1  -10   24   15 o   63.685   8.5822   59.252   9.2679 -44.47274 17.16446 
1 1 1  -10   24   16 o  236.883   3.1475  483.263   12.696 62.89279 6.294976 
1 1 1  -10   24   17 o  119.248   5.1467  168.584   9.6569 -37.26784 10.29342 
1 1 1  -10   24   18 o  150.260   3.8691  234.920   9.8563 -9.774933 7.738170 
1 1 1  -10   24   19 o   96.704   6.0423  101.507   9.4460 -12.47128 12.08470 
1 1 1  -10   24   20 o  117.161   4.9293  143.036   9.7947 -7.618515 9.858599 
1 1 1  -10   24   21 o  136.097   4.5140  198.279   10.368 -16.19067 9.028054 
1 1 1  -10   24   22 o  246.196   3.2574  617.215   14.463 -7.435837 6.514735 
1 1 1  -10   24   23 f  111.120   5.4111  128.466   10.277 -5.855896 10.82227 
1 1 1  -10   24   24 o  127.656   4.7168  166.841   10.446 -3.175026 9.433611 
1 1 1  -10   24   25 o  213.636   3.3495  464.938   12.957 -6.461044 6.698907 
1 1 1  -10   24   26 o  118.721   4.9137  135.824   10.918 15.29066 9.827363 
1 1 1  -10   24   27 o   54.006   10.481   33.993   11.281 1.058678 20.96295 
1 1 1  -10   25    1 o  240.085   3.5313  578.263   16.920 16.77307 7.062511 
1 1 1  -10   25    2 o  240.499   3.5018  579.411   16.810 19.97737 7.003687 
1 1 1  -10   25    3 o  197.875   3.7469  382.253   14.275 75.98531 7.493866 
1 1 1  -10   25    4 o  247.792   3.4601  608.723   17.058 31.58434 6.920240 
1 1 1  -10   25    5 o  115.119   5.6701  135.846   12.210 53.09466 11.34022 
1 1 1  -10   25    6 o   57.548   8.8983   38.148   9.4107 -15.51949 17.79653 
1 1 1  -10   25    7 o  127.741   7.1309  165.471   18.218      ?      ? 
1 1 1  -10   25    8 o   98.442   6.2759  105.814   11.388 -26.53921 12.55171 
1 1 1  -10   25    9 o  177.626   3.6938  311.563   12.672 11.54062 7.387595 
1 1 1  -10   25   10 o  268.737   3.4559  723.351   18.406 6.436615 6.911801 
1 1 1  -10   25   11 f   94.824   6.0427   95.816   10.615 -14.75849 12.08540 
1 1 1  -10   25   12 o  158.896   3.9131  260.270   12.027 -11.90283 7.826243 
1 1 1  -10   25   13 o   60.236   9.1178   31.298   11.390 45.69562 18.23555 
1 1 1  -10   25   14 o  166.147   6.6323  277.338   22.039      ?      ? 
1 1 1  -10   25   15 o  121.981   5.0540  167.958   9.9254 -25.97693 10.10804 
1 1 1  -10   25   16 o   83.066   7.6351   85.948   8.8679 -28.26312 15.27013 
1 1 1  -10   25   17 o   58.126   8.6889   47.850   8.6853 -33.62000 17.37778 
1 1 1  -10   25   18 o  253.891   3.1686  622.328   14.001 19.06926 6.337283 
1 1 1  -10   25   19 o   59.912   9.2747   39.861   9.2889 -6.495094 18.54937 
1 1 1  -10   25   20 o   96.087   6.4567  108.125   9.5997 -25.33442 12.91349 
1 1 1  -10   25   21 o  139.374   4.4013  197.780   10.442 -2.529160 8.802694 
1 1 1  -10   25   22 o   47.309   10.653   20.315   9.9901 15.49622 21.30593 
1 1 1  -10   25   23 o   47.977   10.625   20.599   10.095 17.57262 21.24920 
1 1 1  -10   25   24 o   37.812   10.011   12.596   9.9424 -3.153316 20.02236 
1 1 1  -10   25   25 o   87.393   6.6894   66.399   10.446 29.17683 13.37886 
1 1 1  -10   25   26 o   39.137   10.707   16.549   11.261 3.483353 21.41373 
1 1 1  -10   26    1 o  169.262   3.9137  288.236   13.243 -4.270737 7.827483 
1 1 1  -10   26    2 o  225.783   3.5202  512.532   15.892 -3.135666 7.040467 
1 1 1  -10   26    3 o  137.286   4.5336  190.998   12.379 -13.04337 9.067137 
1 1 1  -10   26    4 o  113.081   5.0443  129.164   11.404 1.581512 10.08861 
1 1 1  -10   26    5 o  127.874   3.8097  168.126   8.9273 -7.662582 7.619429 
1 1 1  -10   26    6 f  176.179   3.1440  315.237   10.183 -5.489914 6.287943 
1 1 1  -10   26    7 o  230.508   2.9571  529.834   12.473 3.319107 5.914147 
1 1 1  -10   26    8 o  134.493   4.0622  184.402   9.3405 -3.624878 8.124478 
1 1 1  -10   26    9 o  101.246   6.0306  113.448   10.991 -21.93272 12.06128 
1 1 1  -10   26   10 o  122.721   4.8149  154.577   11.415 -8.468178 9.629710 
1 1 1  -10   26   11 o  173.132   3.6490  296.115   12.408 12.63832 7.298005 
1 1 1  -10   26   12 o  166.949   3.7674  262.449   12.161 42.66370 7.534813 
1 1 1  -10   26   14 o   28.563   9.0080  -6.7849   11.002 -5.380579 18.01603 
1 1 1  -10   26   15 o  252.378   3.1398  620.657   13.604 14.54019 6.279579 
1 1 1  -10   26   16 o  200.138   3.3923  409.872   11.391 -7.381393 6.784560 
1 1 1  -10   26   17 o   60.833   8.9507   37.039   8.8534 3.786129 17.90145 
1 1 1  -10   26   18 o   27.833   8.9409  -4.9943   8.9737 9.858631 17.88171 
1 1 1  -10   26   19 o  105.810   5.3529  113.432   9.4101 -0.1909027 10.70581 
1 1 1  -10   26   20 o   48.878   16.865   24.558   20.041      ?      ? 
1 1 1  -10   26   21 o   62.266   9.4438   41.231   9.9281 -1.225868 18.88761 
1 1 1  -10   26   22 f  105.498   5.6917  110.095   10.269 5.128326 11.38350 
1 1 1  -10   26   23 o   95.722   5.9344   90.013   10.052 6.736671 11.86879 
1 1 1  -10   26   24 o  112.478   4.8621  124.705   10.138 7.462715 9.724244 
1 1 1  -10   27    1 o  273.224   3.4249  750.028   18.707 11.51874 6.849898 
1 1 1  -10   27    2 o  188.555   3.5284  357.405   13.287 -1.826813 7.056817 
1 1 1  -10   27    3 o  219.410   3.4159  484.506   14.989 2.004807 6.831887 
1 1 1  -10   27    4 o  106.892   5.4967  116.707   11.743 5.354111 10.99340 
1 1 1  -10   27    5 o  118.750   4.2259  145.816   8.9577 -5.500984 8.451799 
1 1 1  -10   27    6 o  169.031   3.2864  294.302   10.205 -11.11746 6.572884 
1 1 1  -10   27    7 o  164.744   3.3520  277.165   10.042 -7.659607 6.703908 
1 1 1  -10   27    8 o  151.899   6.1425  231.522   18.661      ?      ? 
1 1 1  -10   27    9 o  121.015   7.5823  147.570   18.352      ?      ? 
1 1 1  -10   27   10 o   80.380   8.5606   83.119   11.192 -51.35254 17.12119 
1 1 1  -10   27   11 o  264.237   3.4183  703.443   17.944 -2.445587 6.836700 
1 1 1  -10   27   12 o   49.795   10.195   24.591   10.427 15.79353 20.38945 
1 1 1  -10   27   13 o  150.998   4.1601  231.136   11.948 -2.468597 8.320178 
1 1 1  -10   27   14 o  219.891   3.5512  485.918   15.224 -0.9553528E-01 7.102429 
1 1 1  -10   27   15 f   56.625   9.3102   35.111   8.6263 -5.717323 18.62039 
1 1 1  -10   27   16 o   40.186   9.6617   16.925   8.7083 -5.031273 19.32332 
1 1 1  -10   27   17 o  175.830   3.5676  314.826   10.592 -4.309586 7.135198 
1 1 1  -10   27   18 o  107.231   5.3591  115.284   9.4249 1.717957 10.71824 
1 1 1  -10   27   19 o  166.283   3.9406  276.594   10.688 1.870331 7.881187 
1 1 1  -10   27   20 f  107.619   6.0751  122.017   9.9753 -6.553421 12.15012 
1 1 1  -10   27   21 o   53.705   10.049   31.745   9.8196 -2.672153 20.09787 
1 1 1  -10   27   22 o  122.600   4.8106  149.789   10.314 3.138588 9.621168 
1 1 1  -10   27   23 o   32.053   9.1310   4.7788   9.5321 -6.891529 18.26207 
1 1 1  -10   28    1 o  189.976   3.5614  361.911   13.337 0.6070557 7.122708 
1 1 1  -10   28    2 o  210.796   3.4409  448.742   14.346 12.79306 6.881884 
1 1 1  -10   28    3 o  257.992   3.4680  669.008   17.790 34.23634 6.936007 
1 1 1  -10   28    4 o  189.811   3.6596  364.192   13.460 6.082062 7.319215 
1 1 1  -10   28    5 o  124.047   5.9896  154.907   14.860      ?      ? 
1 1 1  -10   28    6 f   74.428   7.4967   67.860   9.0570 -33.55126 14.99335 
1 1 1  -10   28    7 o  217.934   3.3141  480.099   14.374 -21.33832 6.628246 
1 1 1  -10   28    8 o   71.973   7.4316   60.938   8.6472 -21.33167 14.86319 
1 1 1  -10   28    9 o  246.532   3.0023  610.345   13.742 0.3521729 6.004580 
1 1 1  -10   28   10 o  144.504   3.7456  207.098   9.7331 4.847061 7.491241 
1 1 1  -10   28   11 o   82.011   7.2440   76.296   10.224 -23.73938 14.48793 
1 1 1  -10   28   12 o  112.704   5.0906  130.772   10.865 -7.481445 10.18118 
1 1 1  -10   28   13 o   22.675   7.8307 -24.3310   10.604 5.298500 15.66133 
1 1 1  -10   28   14 o  171.048   3.9049  291.555   12.707 6.435226 7.809810 
1 1 1  -10   28   15 o   76.703   8.3784   62.160   11.482 -2.755531 16.75678 
1 1 1  -10   28   16 o   79.482   7.6609   68.850   8.8180 -7.905991 15.32189 
1 1 1  -10   28   17 o   98.200   6.0240   99.268   9.2164 -2.397377 12.04799 
1 1 1  -10   28   18 o   41.225   9.2690   19.617   9.1529 -14.89049 18.53805 
1 1 1  -10   28   19 o   95.642   6.1800   95.171   9.4399 -4.035469 12.36006 
1 1 1  -10   28   20 o  101.014   5.8498  107.290   9.7631 -6.905586 11.69964 
1 1 1  -10   28   21 o  149.694   3.8217  225.818   10.381 -0.4851379 7.643432 
1 1 1  -10   28   22 o   58.127   8.5524   37.766   9.3319 -2.324718 17.10488 
1 1 1  -10   29    1 o  208.525   3.3869  431.414   13.859 -14.49088 6.773780 
1 1 1  -10   29    2 o  133.630   4.3782  178.312   11.623 -14.65305 8.756402 
1 1 1  -10   29    3 f  168.386   3.7763  285.626   12.687 -2.481323 7.552611 
1 1 1  -10   29    4 o  103.266   5.5526  108.397   11.423 -2.550224 11.10511 
1 1 1  -10   29    5 o   98.969   4.7715  101.522   8.5284 -5.932831 9.543063 
1 1 1  -10   29    6 o  122.055   4.0649  153.388   8.9466 -6.334511 8.129705 
1 1 1  -10   29    7 o  137.500   3.7417  198.152   9.2331 -13.91591 7.483485 
1 1 1  -10   29    8 o  209.495   3.2897  437.426   13.519 7.861526 6.579308 
1 1 1  -10   29    9 o  138.764   4.1101  190.896   11.005 7.699265 8.220240 
1 1 1  -10   29   10 o  139.795   4.2454  202.340   11.196 -11.41206 8.490887 
1 1 1  -10   29   11 o  175.920   3.6585  312.234   12.433 -0.2530060 7.317046 
1 1 1  -10   29   12 o  155.529   4.0448  246.313   12.044 -5.608795 8.089530 
1 1 1  -10   29   13 o  246.717   3.5078  611.620   17.017 3.425491 7.015545 
1 1 1  -10   29   14 o  216.215   3.6529  466.240   15.275 8.465775 7.305782 
1 1 1  -10   29   15 o  110.512   6.0250  129.215   12.242 -11.38706 12.05003 
1 1 1  -10   29   16 o  241.984   3.2158  588.003   13.465 0.6323853 6.431639 
1 1 1  -10   29   17 o  112.977   5.1226  130.111   9.4184 -1.684464 10.24528 
1 1 1  -10   29   18 o   66.635   8.3791   44.145   9.1870 5.446014 16.75818 
1 1 1  -10   29   19 o  118.214   4.7925  139.986   9.7691 1.623756 9.585048 
1 1 1  -10   29   20 o  116.311   4.7314  140.041   10.161 -6.830818 9.462815 
1 1 1  -10   30    1 f  200.155   3.0145  382.526   9.8084 -16.21295 6.029086 
1 1 1  -10   30    2 o  209.754   3.4695  434.796   14.334 -18.74432 6.939087 
1 1 1  -10   30    3 f  122.273   4.9631  154.129   11.873 23.54504 9.926200 
1 1 1  -10   30    4 o  100.993   4.6236   95.666   8.5022 16.50500 9.247245 
1 1 1  -10   30    5 o  122.854   4.0669  149.520   8.9325 4.425323 8.133724 
1 1 1  -10   30    6 f  244.151   3.0036  601.715   13.568 -2.659271 6.007233 
1 1 1  -10   30    7 o  124.287   4.3970  171.559   9.2283 -25.22325 8.794010 
1 1 1  -10   30    8 o  155.418   3.4864  246.439   9.7616 -5.285614 6.972831 
1 1 1  -10   30    9 o  216.378   3.3822  469.201   14.387 4.567474 6.764315 
1 1 1  -10   30   10 o   79.274   7.6053   68.981   10.662 -12.83475 15.21056 
1 1 1  -10   30   11 o  103.908   5.6739  106.387   11.206 10.42359 11.34784 
1 1 1  -10   30   12 o   75.260   7.8628   54.205   11.307 20.35764 15.72560 
1 1 1  -10   30   13 o  206.500   3.6580  427.545   14.664 5.131470 7.316042 
1 1 1  -10   30   14 o  126.032   5.0818  160.196   12.109 2.719902 10.16351 
1 1 1  -10   30   15 o   84.567   7.1288   71.873   11.388 5.815224 14.25766 
1 1 1  -10   30   16 o   87.045   6.9785   78.482   11.332 -2.389893 13.95705 
1 1 1  -10   30   17 o  203.763   3.2857  420.511   11.741 -3.660278 6.571457 
1 1 1  -10   30   18 o  105.366   5.2165  123.777   9.3669 -22.56934 10.43308 
1 1 1  -10   31    1 f   71.791   12.970   55.361   17.941      ?      ? 
1 1 1  -10   31    2 o  142.742   4.2285  210.348   11.538 12.43510 8.457094 
1 1 1  -10   31    3 o  169.617   3.8037  291.401   12.708 5.306549 7.607414 
1 1 1  -10   31    4 o  222.736   2.8830  499.307   12.039 -1.445618 5.766090 
1 1 1  -10   31    5 f  147.356   3.6879  235.019   9.7119 -27.79140 7.375743 
1 1 1  -10   31    6 o  180.329   3.1860  320.277   10.541 9.102066 6.371903 
1 1 1  -10   31    7 o  219.038   3.0580  481.031   12.245 1.177551 6.116003 
1 1 1  -10   31    8 o  172.565   3.4612  296.279   10.716 4.235291 6.922361 
1 1 1  -10   31    9 o  144.030   4.3072  213.850   11.873 -10.63806 8.614448 
1 1 1  -10   31   10 o   90.707   6.7035   88.863   11.042 -12.76123 13.40692 
1 1 1  -10   31   11 o  272.612   3.5276  743.407   18.953 12.33459 7.055186 
1 1 1  -10   31   12 o  141.457   4.4837  204.876   12.094 -6.107178 8.967356 
1 1 1  -10   31   13 o  147.215   4.2680  220.716   12.120 -4.196777 8.535925 
1 1 1  -10   31   14 o  101.529   5.8110  105.760   11.273 -3.136642 11.62209 
1 1 1  -10   31   15 o  125.851   4.6043  162.672   11.150 -8.378876 9.208533 
1 1 1  -10   31   16 o  149.568   3.8387  228.738   11.278 -12.14658 7.677481 
1 1 1  -10   32    1 o  113.616   8.0857  131.711   18.373      ?      ? 
1 1 1  -10   32    2 o  125.958   7.3214  161.332   18.444      ?      ? 
1 1 1  -10   32    3 o  180.317   2.8296  320.732   9.9295 13.76953 5.659226 
1 1 1  -10   32    4 o  187.339   2.9438  350.471   10.539 4.167694 5.887641 
1 1 1  -10   32    5 o  261.943   2.9366  679.088   14.310 10.83655 5.873106 
1 1 1  -10   32    6 o  192.700   3.0196  376.368   10.767 -4.106247 6.039117 
1 1 1  -10   32    7 o  133.687   4.2975  185.999   11.106 -18.73940 8.594926 
1 1 1  -10   32    8 f  222.673   3.4053  494.519   14.968 12.83916 6.810634 
1 1 1  -10   32    9 o  191.835   3.5773  372.814   13.489 -5.769638 7.154572 
1 1 1  -10   32   10 o  160.632   3.8470  262.567   12.164 -8.198410 7.694025 
1 1 1  -10   32   11 o   76.090   8.1440   67.581   10.806 -30.87599 16.28807 
1 1 1  -10   32   12 o  146.185   3.9971  215.693   11.449 -1.117523 7.994160 
1 1 1  -10   32   13 o   84.552   6.0076   69.924   9.8703 28.07402 12.01516 
1 1 1  -10   32   14 o  259.678   3.2252  678.714   16.671 10.60524 6.450460 
1 1 1  -10   33    1 o  147.838   6.4582  221.376   19.095      ?      ? 
1 1 1  -10   33    2 o  121.507   7.5577  150.264   18.366      ?      ? 
1 1 1  -10   33    3 o  155.588   3.9339  243.263   12.241      ?      ? 
1 1 1  -10   33    4 f  302.224   3.0255  919.671   17.544 -1.506561 6.050988 
1 1 1  -10   33    5 o  235.708   2.8476  562.377   12.953 -6.735123 5.695265 
1 1 1  -10   33    6 o  240.696   2.8744  583.495   13.210 -2.100830 5.748880 
1 1 1  -10   33    7 o  212.139   3.2610  452.928   13.825 -5.057159 6.522001 
1 1 1  -10   33    8 o  120.714   4.4199  144.732   10.571 14.68642 8.839893 
1 1 1  -10   33    9 o  198.030   3.2929  393.657   12.941 2.829361 6.585742 
1 1 1  -10   33   10 o  138.374   3.7720  193.752   10.398 -13.12495 7.544058 
1 1 1  -10   33   11 o   78.280   6.6883   66.617   8.9628 50.57436 13.37654 
1 1 1  -10   34    1 o  227.759   5.2338  522.445   23.841      ?      ? 
1 1 1  -10   34    2 o  152.795   6.4097  235.997   19.588      ?      ? 
1 1 1  -10   34    3 o  118.212   4.8887  140.648   11.558      ?      ? 
1 1 1  -10   34    4 o   84.526   6.5538   72.323   11.079      ?      ? 
1 1 1  -10   34    5 o   71.225   6.0589   55.077   7.7111 33.87516 12.11784 
1 1 1  -10   34    6 o  151.642   3.1112  234.954   9.1879 -10.40340 6.222301 
1 1 1  -10   34    7 o  235.578   4.5745  565.464   21.553      ?      ? 
1 1 1   -9    0    5 o  218.330   4.7645  477.508   20.783 -0.000000 0.000000 
1 1 1   -9    0    6 o  512.336   7.2633  2628.30   74.391 -0.000000 0.000000 
1 1 1   -9    0    7 o  358.834   5.5378  1289.05   39.722 -0.000000 0.000000 
1 1 1   -9    0    8 o  227.245   4.9032  517.276   22.261 -0.000000 0.000000 
1 1 1   -9    0    9 o  597.795   8.3812  3578.53  100.161 -0.000000 0.000000 
1 1 1   -9    0   10 o  111.572   8.5712  126.773   18.903 -0.000000 0.000000 
1 1 1   -9    0   11 o  123.564   7.5536  154.488   18.523 -0.000000 0.000000 
1 1 1   -9    0   12 o  228.296   3.6685  522.639   16.676 -0.000000 0.000000 
1 1 1   -9    0   13 o  620.435   6.1638  3847.53   76.320 -0.000000 0.000000 
1 1 1   -9    0   14 o  297.265   3.8971  878.470   22.981 -0.000000 0.000000 
1 1 1   -9    0   16 o  314.555   4.0971  991.196   25.699 -0.000000 0.000000 
1 1 1   -9    0   17 o  563.335   5.7366  3178.83   64.595 -0.000000 0.000000 
1 1 1   -9    0   18 o  109.347   7.9095  126.032   16.521 -0.000000 0.000000 
1 1 1   -9    0   19 o  264.669   4.2002  702.710   22.123 -0.000000 0.000000 
1 1 1   -9    0   20 o  268.499   4.3251  723.739   23.128 -0.000000 0.000000 
1 1 1   -9    0   21 o  676.790   6.7654  4595.15   91.534 -0.000000 0.000000 
1 1 1   -9    0   22 f  232.705   4.4817  544.666   20.769 -0.000000 0.000000 
1 1 1   -9    0   23 o  133.680   6.5319  180.872   17.231 -0.000000 0.000000 
1 1 1   -9    0   24 o  245.305   4.2195  603.529   20.668 -0.000000 0.000000 
1 1 1   -9    0   25 o   31.891   13.620   11.030   15.551 -0.000000 0.000000 
1 1 1   -9    0   26 o   69.035   12.677   58.802   15.353 -0.000000 0.000000 
1 1 1   -9    0   27 o  162.503   5.0321  265.270   16.247 -0.000000 0.000000 
1 1 1   -9    0   29 o   85.436   11.397   87.227   15.934 -0.000000 0.000000 
1 1 1   -9    0   30 o   25.706   11.871   0.0606   14.443 -0.000000 0.000000 
1 1 1   -9    0   31 o   28.392   12.648   1.9283   15.336 -0.000000 0.000000 
1 1 1   -9    0   32 o  158.621   5.4588  252.662   17.106 -0.000000 0.000000 
1 1 1   -9    0   33 f  106.468   7.6434  120.448   15.687 -0.000000 0.000000 
1 1 1   -9    0   34 o  149.509   5.8323  230.165   17.087 -0.000000 0.000000 
1 1 1   -9    0   35 o   24.687   11.742  -8.1809   15.822 -0.000000 0.000000 
1 1 1   -9    0   36 f   32.518   13.838   13.217   15.862 -0.000000 0.000000 
1 1 1   -9    0   37 o   34.808   14.269   17.147   16.082 -0.000000 0.000000 
1 1 1   -9    0   38 o   42.300   14.990   28.158   15.530 -0.000000 0.000000 
1 1 1   -9    1    5 o  538.914   5.3679  2908.86   57.857 -0.2693481 10.73589 
1 1 1   -9    1    6 o  343.071   3.7957  1176.82   26.031 10.02887 7.591324 
1 1 1   -9    1    7 o  507.240   5.1075  2576.24   51.812 3.596069 10.21492 
1 1 1   -9    1    8 o  334.436   3.8136  1119.25   25.508 3.533936 7.627263 
1 1 1   -9    1    9 o  555.803   5.5546  3093.45   61.746 1.735291 11.10928 
1 1 1   -9    1   10 o  401.152   4.3143  1610.14   34.609 6.291229 8.628593 
1 1 1   -9    1   11 f  527.597   5.3184  2787.32   56.119 -0.2911377E-01 10.63682 
1 1 1   -9    1   12 o   31.882   14.236  -8.0265   18.581      ?      ? 
1 1 1   -9    1   13 o  299.702   2.6785  898.679   16.052 4.515320 5.357018 
1 1 1   -9    1   14 o  343.515   4.0189  1180.51   27.611      ?      ? 
1 1 1   -9    1   15 o   63.799   12.287   42.216   15.118      ?      ? 
1 1 1   -9    1   16 f  282.172   2.8211  796.313   15.918 5.305267 5.642161 
1 1 1   -9    1   18 o  331.498   2.9393  1098.55   19.471 6.930237 5.878665 
1 1 1   -9    1   19 f  337.517   2.9851  1139.91   20.144 1.403809 5.970155 
1 1 1   -9    1   20 o  219.580   3.2071  482.633   14.080 0.5020142E-02 6.414206 
1 1 1   -9    1   21 o  101.951   5.8961  104.580   11.991 -3.948067 11.79219 
1 1 1   -9    1   22 o   34.825   10.699  -3.3543   13.534 -7.073984 21.39703 
1 1 1   -9    1   23 o   84.537   7.0601   71.769   11.883 11.28425 14.12011 
1 1 1   -9    1   24 f  145.089   4.1464  211.451   12.019 -4.629105 8.292762 
1 1 1   -9    1   25 o  125.982   4.5064  158.902   11.336 8.747093 9.012806 
1 1 1   -9    1   26 f  132.614   4.2002  176.345   11.127 5.839661 8.400343 
1 1 1   -9    1   27 o  156.474   3.6063  245.938   11.279 -4.902161 7.212630 
1 1 1   -9    1   28 o  147.191   5.7810  217.449   17.018      ?      ? 
1 1 1   -9    1   29 o   30.520   9.3822  -2.1372   10.766 4.435261 18.76437 
1 1 1   -9    1   30 o  141.324   3.7454  201.006   10.580 -4.654465 7.490744 
1 1 1   -9    1   31 o   76.907   6.9437   61.015   10.648 6.229523 13.88745 
1 1 1   -9    1   32 o  116.996   4.8524  138.406   11.352 -3.271591 9.704899 
1 1 1   -9    1   33 o  116.977   4.7762  138.725   11.173 -1.805450 9.552482 
1 1 1   -9    1   34 o   64.804   8.9397   44.823   11.333 -8.261429 17.87937 
1 1 1   -9    1   35 o   32.773   9.8133   2.1403   11.131 1.250763 19.62669 
1 1 1   -9    1   36 o   31.530   9.5997  -0.0156   11.027 3.587866 19.19947 
1 1 1   -9    1   37 o   94.119   6.1265   91.236   11.347 21.12514 12.25294 
1 1 1   -9    1   38 o   52.014   10.095   29.520   10.817 0.5826149 20.19020 
1 1 1   -9    2    4 o  327.529   5.1311  1073.54   33.611      ?      ? 
1 1 1   -9    2    5 o  193.527   4.8521  374.764   18.780      ?      ? 
1 1 1   -9    2    6 o  280.509   3.4577  787.289   19.394 -0.9798584 6.915400 
1 1 1   -9    2    7 o  536.676   5.3645  2884.01   57.571 -4.779419 10.72890 
1 1 1   -9    2    8 o  344.043   3.8697  1183.37   26.614 11.14389 7.739397 
1 1 1   -9    2    9 o  273.585   3.5933  748.266   19.647 -5.854919 7.186664 
1 1 1   -9    2   10 o  266.731   3.6382  710.036   19.377 -11.80124 7.276304 
1 1 1   -9    2   11 o  193.873   3.8947  374.468   15.065 -12.74544 7.789463 
1 1 1   -9    2   12 o  151.080   4.0564  232.807   11.427 -8.322021 8.112842 
1 1 1   -9    2   13 o  505.899   3.6562  2559.16   36.975 10.96167 7.312391 
1 1 1   -9    2   15 f  871.028   6.0235  7594.85  104.876 17.26556 12.04694 
1 1 1   -9    2   16 o  297.370   2.8589  884.712   16.997 0.3296509 5.717720 
1 1 1   -9    2   17 o  412.208   3.2163  1699.99   26.513 4.790771 6.432510 
1 1 1   -9    2   18 o  308.347   2.9282  950.921   18.053 6.407745 5.856419 
1 1 1   -9    2   19 o  113.285   5.2329  128.894   11.829 -7.708549 10.46576 
1 1 1   -9    2   20 o   80.841   7.2600   65.693   11.738 -0.6109543 14.52008 
1 1 1   -9    2   21 o  231.613   3.7317  541.405   16.383 -5.760254 7.463465 
1 1 1   -9    2   22 o  169.609   3.7708  287.523   12.768 6.016693 7.541619 
1 1 1   -9    2   23 o  104.890   5.7171  110.452   11.971 1.561043 11.43416 
1 1 1   -9    2   24 f  105.196   5.4577  111.272   11.465 0.7436218 10.91543 
1 1 1   -9    2   25 o  133.235   4.2510  177.837   11.309 4.677139 8.502034 
1 1 1   -9    2   26 o   31.379   9.4168  -0.6758   10.444 7.813007 18.83364 
1 1 1   -9    2   27 o   79.499   6.4937   64.189   10.282 -2.981842 12.98747 
1 1 1   -9    2   28 o  148.059   3.9801  219.538   11.751 2.695663 7.960168 
1 1 1   -9    2   29 o   20.649   7.1783 -30.6769   10.497 -1.948687 14.35656 
1 1 1   -9    2   30 f  176.815   3.1559  313.697   11.133 1.926804 6.311798 
1 1 1   -9    2   31 o   21.527   7.4051 -27.5871   10.303 5.935143 14.81028 
1 1 1   -9    2   32 o  162.960   3.6049  267.209   11.745 5.164383 7.209837 
1 1 1   -9    2   33 o   30.273   9.2910  -1.4850   10.562 -3.670698 18.58191 
1 1 1   -9    2   34 o   73.186   7.8190   56.822   10.994 -14.76221 15.63797 
1 1 1   -9    2   35 o   60.871   9.3209   40.465   11.047 10.82652 18.64181 
1 1 1   -9    2   36 o   75.426   7.2432   58.955   10.926 -0.6403809 14.48631 
1 1 1   -9    2   37 o   82.312   6.8414   69.863   11.250 4.710686 13.68278 
1 1 1   -9    2   38 o   53.124   9.9636   30.880   10.759 1.291073 19.92729 
1 1 1   -9    3    4 o  357.351   5.4230  1278.02   38.758      ?      ? 
1 1 1   -9    3    5 o  571.639   8.0075  3273.29   91.548      ?      ? 
1 1 1   -9    3    6 o  281.808   3.4864  794.586   19.647 -1.583984 6.972803 
1 1 1   -9    3    7 o  313.007   3.6388  980.362   22.777 -0.4992371 7.277643 
1 1 1   -9    3    8 o  438.017   4.5329  1920.28   39.707 -2.677887 9.065878 
1 1 1   -9    3    9 o  236.257   3.6294  556.692   17.120 17.84781 7.258734 
1 1 1   -9    3   10 o  518.482   5.2364  2690.43   54.283 -8.652100 10.47270 
1 1 1   -9    3   11 o  414.787   3.7996  1726.08   29.805 -3.368866 7.599163 
1 1 1   -9    3   12 o  407.545   3.7808  1667.82   29.189 -4.498688 7.561646 
1 1 1   -9    3   13 o  594.213   5.1509  3522.22   57.458 6.162476 10.30181 
1 1 1   -9    3   14 o  404.856   3.1680  1639.92   25.652 0.3327026 6.336031 
1 1 1   -9    3   15 o  281.359   2.8332  790.929   15.927 7.412994 5.666497 
1 1 1   -9    3   16 o  276.053   2.8454  762.113   15.700 3.508118 5.690778 
1 1 1   -9    3   17 o  341.933   2.9564  1169.41   20.214 -7.414337 5.912864 
1 1 1   -9    3   18 o   31.884   9.7997  -2.8758   11.654 -1.520828 19.59944 
1 1 1   -9    3   19 o  239.689   3.0201  574.929   14.476 0.9194336 6.040131 
1 1 1   -9    3   20 o  334.577   3.0031  1120.18   20.089 2.875183 6.006258 
1 1 1   -9    3   21 o  238.401   3.0751  568.722   14.651 2.687347 6.150254 
1 1 1   -9    3   22 o  155.921   4.0402  243.055   12.567 4.618362 8.080451 
1 1 1   -9    3   23 o  225.278   3.1448  508.390   14.165 -1.772354 6.289549 
1 1 1   -9    3   24 o  188.137   3.3438  354.616   12.579 2.404358 6.687654 
1 1 1   -9    3   25 o  257.730   2.8766  665.473   14.826 0.1012268 5.753263 
1 1 1   -9    3   26 o   95.021   5.6177   91.055   10.634 11.36118 11.23542 
1 1 1   -9    3   27 o  188.782   3.1750  357.651   11.983 -3.351013 6.349983 
1 1 1   -9    3   28 o  136.977   5.8758  188.107   16.097      ?      ? 
1 1 1   -9    3   29 o  121.025   4.5165  147.561   10.905 6.573372 9.033010 
1 1 1   -9    3   30 o  126.676   4.1193  161.858   10.393 -2.504913 8.238557 
1 1 1   -9    3   31 o   31.738   13.266   2.3703   14.082      ?      ? 
1 1 1   -9    3   32 o   95.517   5.7126   92.827   10.859 1.103531 11.42510 
1 1 1   -9    3   33 o   97.563   5.4918   97.319   10.615 -4.917664 10.98355 
1 1 1   -9    3   34 o  106.861   5.1516  115.810   10.967 4.614624 10.30313 
1 1 1   -9    3   35 o   59.048   9.4103   37.808   10.880 11.85334 18.82065 
1 1 1   -9    3   36 f  116.721   4.9042  139.855   11.335 -13.25029 9.808384 
1 1 1   -9    3   37 o   93.894   6.1011   90.320   11.440 -0.5554123 12.20227 
1 1 1   -9    3   38 f   52.369   9.4865   29.607   10.688 -24.67159 18.97306 
1 1 1   -9    4    4 o  416.517   6.0914  1736.58   50.743      ?      ? 
1 1 1   -9    4    5 o  214.296   4.7712  459.505   20.449      ?      ? 
1 1 1   -9    4    6 f  412.317   4.7536  737.149   22.645 344.1612 9.507139 
1 1 1   -9    4    7 f  274.969   3.5043  756.244   19.265 -3.803070 7.008538 
1 1 1   -9    4    8 o  229.821   3.5602  528.310   16.358 -2.483871 7.120326 
1 1 1   -9    4    9 o  582.305   5.8002  3394.23   67.524 -9.358398 11.60046 
1 1 1   -9    4   10 o  280.749   3.7014  783.601   20.713 -22.91925 7.402860 
1 1 1   -9    4   11 f  189.754   3.3789  363.488   12.032 -5.022018 6.757791 
1 1 1   -9    4   12 o  442.085   4.0209  1957.94   33.571 -1.493622 8.041869 
1 1 1   -9    4   13 o  220.643   5.7022  487.224   25.163      ?      ? 
1 1 1   -9    4   14 o  578.391   4.1294  3347.80   47.762 4.351257 8.258821 
1 1 1   -9    4   15 o  189.869   3.2216  359.219   12.207 16.46286 6.443228 
1 1 1   -9    4   16 f   95.229   8.0248   90.888   15.284      ?      ? 
1 1 1   -9    4   18 o  167.643   3.7282  281.534   12.488 -8.627625 7.456389 
1 1 1   -9    4   19 o  127.764   4.6553  163.981   11.860 -10.33378 9.310619 
1 1 1   -9    4   20 o  372.591   3.7601  1381.59   26.340 6.602814 7.520154 
1 1 1   -9    4   21 o  218.627   3.1697  477.838   13.846 7.085068 6.339495 
1 1 1   -9    4   22 o  205.295   3.3306  422.898   13.646 -9.704239 6.661107 
1 1 1   -9    4   23 o  267.872   3.6290  721.096   18.558 2.569458 7.258053 
1 1 1   -9    4   24 o  107.825   5.2773  116.801   11.324 14.52975 10.55450 
1 1 1   -9    4   25 o  177.162   3.3587  314.369   11.894 5.043213 6.717493 
1 1 1   -9    4   26 o   38.130   10.130   11.377   10.482 -0.5119133 20.25969 
1 1 1   -9    4   27 o  151.109   3.7438  229.431   11.314 1.032837 7.487643 
1 1 1   -9    4   28 o  277.255   4.1174  769.497   22.832      ?      ? 
1 1 1   -9    4   29 o  206.373   3.0269  427.806   12.493 -2.585541 6.053744 
1 1 1   -9    4   30 o   60.385   8.6449   38.676   10.238 -12.12226 17.28975 
1 1 1   -9    4   31 o  120.367   6.8805  145.633   16.564      ?      ? 
1 1 1   -9    4   32 o   44.854   10.298   20.810   10.621 5.580421 20.59676 
1 1 1   -9    4   33 o  197.187   3.1231  390.827   12.312 -2.125793 6.246162 
1 1 1   -9    4   34 o   94.511   5.7742   91.482   10.870 0.1811981 11.54834 
1 1 1   -9    4   35 o   58.463   9.5564   37.590   10.912 -2.910065 19.11283 
1 1 1   -9    4   36 o   39.730   10.175   14.096   10.906 -10.34629 20.35045 
1 1 1   -9    4   37 o   33.983   9.9974   4.3041   11.176 1.144913 19.99474 
1 1 1   -9    4   38 o   85.629   6.2621   75.636   10.642 -4.226929 12.52414 
1 1 1   -9    5    3 o  705.286   9.7673  4986.88  137.774      ?      ? 
1 1 1   -9    5    4 o  435.380   6.3069  1897.53   54.918      ?      ? 
1 1 1   -9    5    5 o  536.110   7.5584  2878.36   81.042      ?      ? 
1 1 1   -9    5    6 o  401.738   4.2202  1614.19   33.892 9.078766 8.440342 
1 1 1   -9    5    7 o  115.979   5.2258  135.110   12.079 5.830132 10.45164 
1 1 1   -9    5    8 o  268.955   3.5629  723.004   19.144 -5.758301 7.125755 
1 1 1   -9    5    9 o  354.139   3.9587  1245.56   27.891 -25.01346 7.917484 
1 1 1   -9    5   10 f  221.413   3.6962  489.560   16.351 -12.58975 7.392375 
1 1 1   -9    5   11 o  354.477   3.4464  1245.06   22.805 9.411560 6.892750 
1 1 1   -9    5   12 o  327.891   3.4137  1080.63   21.169 -4.688904 6.827458 
1 1 1   -9    5   13 o  592.248   5.1630  3486.42   57.116 11.83331 10.32610 
1 1 1   -9    5   14 o  428.392   4.0491  1825.33   32.344 7.122009 8.098300 
1 1 1   -9    5   15 o  387.501   3.0976  1502.27   24.005 -5.886353 6.195234 
1 1 1   -9    5   16 o  208.551   4.5032  435.230   18.783      ?      ? 
1 1 1   -9    5   17 o  223.193   3.0436  498.805   13.572 -3.994965 6.087244 
1 1 1   -9    5   18 o   84.302   6.8639   71.385   11.556 -1.059593 13.72785 
1 1 1   -9    5   19 o  367.390   3.0515  1350.92   22.421 -0.1578979 6.103037 
1 1 1   -9    5   20 o   74.835   7.7142   56.311   11.538 3.953903 15.42833 
1 1 1   -9    5   21 o  290.229   2.9297  842.244   16.990 7.353424 5.859320 
1 1 1   -9    5   22 o  145.393   4.2783  211.206   12.400 16.64073 8.556543 
1 1 1   -9    5   23 f  152.511   4.0331  232.815   12.288 8.806305 8.066176 
1 1 1   -9    5   24 o  218.165   3.0537  476.754   13.317 0.8067169 6.107499 
1 1 1   -9    5   25 o   73.000   7.3657   54.149   10.716 -3.800545 14.73133 
1 1 1   -9    5   26 o   29.650   9.1187  -3.2990   10.365 -5.637585 18.23734 
1 1 1   -9    5   27 o  283.907   2.8603  808.736   16.240 1.457764 5.720555 
1 1 1   -9    5   28 o  140.874   5.8287  198.866   16.422      ?      ? 
1 1 1   -9    5   29 o   22.329   7.6261 -22.4566   10.276 -1.669289 15.25215 
1 1 1   -9    5   30 o  156.288   3.5734  245.986   11.148 -3.397812 7.146798 
1 1 1   -9    5   31 o  245.945   2.9227  606.216   14.363 -4.256607 5.845330 
1 1 1   -9    5   32 o   22.065   7.5637 -23.5700   10.389 -0.7879066 15.12741 
1 1 1   -9    5   33 o   73.442   7.1222   55.151   10.447 4.878578 14.24448 
1 1 1   -9    5   34 f   57.846   9.3822   36.683   10.630 -1.511848 18.76435 
1 1 1   -9    5   35 o   36.006   9.8641   7.6002   10.604 11.67625 19.72820 
1 1 1   -9    5   36 o   36.389   9.9586   8.5723   10.741 10.36839 19.91728 
1 1 1   -9    5   37 o   59.628   9.4954   39.034   11.106 -11.69116 18.99080 
1 1 1   -9    5   38 o   46.576   11.824   17.634   13.548 20.96325 23.64727 
1 1 1   -9    6    3 o  403.842   5.9254  1632.37   47.859      ?      ? 
1 1 1   -9    6    4 o  431.834   6.2549  1866.66   54.022      ?      ? 
1 1 1   -9    6    5 o  424.339   6.1746  1802.31   52.403      ?      ? 
1 1 1   -9    6    6 o  508.598   5.1185  2589.41   52.060 5.983429 10.23699 
1 1 1   -9    6    7 o  604.364   5.9847  3656.99   72.321 9.833435 11.96935 
1 1 1   -9    6    8 f  153.987   4.4360  233.217   13.474 -35.88893 8.871918 
1 1 1   -9    6    9 f  395.351   4.2349  1561.38   33.439 -13.60754 8.469830 
1 1 1   -9    6   10 o  310.592   3.7741  965.102   23.441 -5.741516 7.548156 
1 1 1   -9    6   11 o  531.382   4.6407  2834.46   46.679 -4.759399 9.281416 
1 1 1   -9    6   12 o  524.254   4.6626  2658.78   44.292 40.59122 9.325235 
1 1 1   -9    6   13 o  163.526   7.0720  267.747   23.129      ?      ? 
1 1 1   -9    6   14 o  204.690   6.4293  419.399   26.320      ?      ? 
1 1 1   -9    6   15 o  676.787   5.8369  4580.10   74.129 4.052734 11.67389 
1 1 1   -9    6   16 o   72.815   10.458   53.204   15.230      ?      ? 
1 1 1   -9    6   17 f  315.824   2.9075  998.472   18.357 -6.220612 5.815017 
1 1 1   -9    6   18 o  134.994   4.3775  183.144   11.772 -6.464188 8.755004 
1 1 1   -9    6   19 o  105.526   6.3699  107.993   12.939 12.58250 12.73977 
1 1 1   -9    6   20 o  292.556   2.9079  856.818   17.013 -3.451447 5.815860 
1 1 1   -9    6   21 o  147.536   4.1232  218.559   12.140 -5.944077 8.246357 
1 1 1   -9    6   22 o  246.310   4.3903  607.508   21.627      ?      ? 
1 1 1   -9    6   23 o  281.512   2.9116  793.615   16.387 3.033081 5.823216 
1 1 1   -9    6   24 o  188.029   3.2681  353.943   12.282 5.719864 6.536151 
1 1 1   -9    6   25 o   95.265   5.6655   91.664   10.773 -3.859039 11.33098 
1 1 1   -9    6   26 o  157.053   3.6735  248.572   11.488 -15.30861 7.347062 
1 1 1   -9    6   28 o  111.574   7.3998  125.117   16.513      ?      ? 
1 1 1   -9    6   29 f   93.807   5.6295   89.244   10.536 -7.162788 11.25905 
1 1 1   -9    6   30 o   42.790   10.246   18.675   10.411 4.688293 20.49142 
1 1 1   -9    6   32 o   82.162   6.4697   69.841   10.494 -14.20572 12.93930 
1 1 1   -9    6   33 o  105.214   5.0940  111.965   10.705 -3.631729 10.18795 
1 1 1   -9    6   34 o   28.778   9.0243  -4.6526   10.505 -3.727501 18.04861 
1 1 1   -9    6   35 o   60.861   8.8952   39.491   10.680 20.58929 17.79032 
1 1 1   -9    6   36 o   86.547   6.3840   76.941   11.037 -2.971153 12.76805 
1 1 1   -9    6   37 o   55.606   9.9034   33.765   11.022 -3.029217 19.80678 
1 1 1   -9    6   38 o   74.569   10.345   78.727   14.603 -38.63268 20.69025 
1 1 1   -9    7    2 o  511.817   7.2304  2623.01   74.013      ?      ? 
1 1 1   -9    7    3 o  344.087   5.3102  1184.78   36.543      ?      ? 
1 1 1   -9    7    4 o  602.019   8.3972  3630.30  101.105      ?      ? 
1 1 1   -9    7    5 o  539.784   7.5956  2917.46   82.000      ?      ? 
1 1 1   -9    7    6 o  405.368   4.2845  1642.65   34.691 -8.707642 8.569011 
1 1 1   -9    7    7 o  281.746   3.5864  791.057   20.145 -13.51306 7.172846 
1 1 1   -9    7    8 o  145.167   4.6673  208.225   13.272 -41.30711 9.334621 
1 1 1   -9    7    9 o  292.476   3.6795  855.991   21.523 -2.151520 7.358974 
1 1 1   -9    7   10 o  547.091   4.7720  2974.73   48.740 10.74500 9.543965 
1 1 1   -9    7   11 o   93.904   10.858   88.434   20.393      ?      ? 
1 1 1   -9    7   12 o  231.317   5.5573  535.495   25.710      ?      ? 
1 1 1   -9    7   13 o  329.713   3.5148  1100.37   21.950 -12.30542 7.029583 
1 1 1   -9    7   14 o  666.068   5.7421  4442.31   71.968 0.6403198 11.48417 
1 1 1   -9    7   15 o  408.603   3.9463  1683.65   30.452 -9.434937 7.892579 
1 1 1   -9    7   16 o  216.154   4.2590  467.501   18.412      ?      ? 
1 1 1   -9    7   17 o  218.529   4.4452  477.924   19.428      ?      ? 
1 1 1   -9    7   18 o  303.124   2.8875  919.751   17.501 -4.606567 5.775014 
1 1 1   -9    7   19 o  389.774   3.1357  1520.74   24.443 -4.488068 6.271384 
1 1 1   -9    7   20 o   39.192   10.337   10.175   11.291 11.61634 20.67372 
1 1 1   -9    7   21 o  337.042   2.9904  1137.19   20.156 -6.845490 5.980849 
1 1 1   -9    7   22 o  240.195   3.0280  578.118   14.537 -4.772415 6.055996 
1 1 1   -9    7   23 o  117.364   4.8361  138.502   11.335 -2.380821 9.672157 
1 1 1   -9    7   24 o  119.088   4.6444  142.530   11.049 -0.6022720 9.288834 
1 1 1   -9    7   25 f  202.254   3.0561  410.303   12.356 -3.302948 6.112228 
1 1 1   -9    7   26 o  198.233   3.1234  393.765   12.369 3.536499 6.246888 
1 1 1   -9    7   27 f   53.573   8.1600   26.899   11.723 -52.05391 16.31995 
1 1 1   -9    7   28 o  139.309   4.2585  195.926   11.848 -7.206482 8.517042 
1 1 1   -9    7   29 o   88.831   5.8918   80.103   10.462 -3.133110 11.78355 
1 1 1   -9    7   30 o  116.746   4.7093  139.487   10.887 -5.789658 9.418608 
1 1 1   -9    7   31 o   69.605   10.701   49.557   14.897      ?      ? 
1 1 1   -9    7   32 o   66.638   8.0801   47.618   10.335 -15.30439 16.16027 
1 1 1   -9    7   33 o   65.771   12.334   46.035   15.625      ?      ? 
1 1 1   -9    7   34 o   46.762   10.240   23.340   10.613 -4.207798 20.47989 
1 1 1   -9    7   35 o  147.655   3.8856  220.575   11.430 -4.091980 7.771125 
1 1 1   -9    7   36 o   90.931   6.1053   84.604   11.091 5.532097 12.21058 
1 1 1   -9    7   37 f   85.039   6.3814   73.808   10.832 -7.172508 12.76278 
1 1 1   -9    8    2 f  259.464   4.6798  673.553   24.285      ?      ? 
1 1 1   -9    8    3 o  236.501   4.6413  559.596   21.953      ?      ? 
1 1 1   -9    8    4 o  615.748   8.5787  3797.61  105.646      ?      ? 
1 1 1   -9    8    5 o  306.534   5.0484  940.162   30.950      ?      ? 
1 1 1   -9    8    6 o  372.376   5.6527  1387.65   42.099      ?      ? 
1 1 1   -9    8    7 o  282.946   3.5877  797.308   20.233 -15.32159 7.175433 
1 1 1   -9    8    8 o  272.467   3.5982  742.280   19.592 15.50958 7.196495 
1 1 1   -9    8    9 o  712.281   7.0015  5080.15   99.660 18.38092 14.00307 
1 1 1   -9    8   10 o  274.564   3.2637  768.260   16.898 -16.03076 6.527464 
1 1 1   -9    8   11 o  452.798   4.1418  1989.45   34.148 32.53873 8.283585 
1 1 1   -9    8   12 o  479.853   4.3247  2305.58   39.105 -0.6853943 8.649474 
1 1 1   -9    8   13 o  380.238   3.7303  1461.72   26.879 -12.63910 7.460578 
1 1 1   -9    8   14 o  433.128   4.0513  1894.76   33.301 -12.58151 8.102567 
1 1 1   -9    8   15 o  600.403   5.2500  3595.20   58.941 7.054138 10.49992 
1 1 1   -9    8   16 o  116.730   7.4306  168.211   13.513 -51.32934 14.86119 
1 1 1   -9    8   17 o  535.774   3.8724  2870.94   41.456 13.33789 7.744794 
1 1 1   -9    8   18 o   88.423   6.3628   78.682   11.204 -2.663742 12.72562 
1 1 1   -9    8   19 o  125.186   4.5993  157.892   11.454 -8.808693 9.198695 
1 1 1   -9    8   20 o  223.322   3.0622  499.125   13.660 1.537140 6.124445 
1 1 1   -9    8   21 o  279.284   2.9258  781.053   16.337 -7.748383 5.851542 
1 1 1   -9    8   22 o   31.282   9.5987  -2.1663   11.147 -1.261650 19.19744 
1 1 1   -9    8   23 o  210.211   3.0243  442.702   12.708 -0.5811310 6.048640 
1 1 1   -9    8   24 o  169.157   3.4209  287.189   11.560 -3.801254 6.841753 
1 1 1   -9    8   25 o   82.536   6.4143   68.941   10.579 0.1401978 12.82866 
1 1 1   -9    8   26 o  291.437   2.8686  851.927   16.719 -0.7569885 5.737288 
1 1 1   -9    8   27 o  191.704   3.5140  363.551   13.296 43.94881 7.028054 
1 1 1   -9    8   28 o   21.966   7.5509 -25.0342   10.523 0.1304684 15.10175 
1 1 1   -9    8   29 o  170.316   3.2815  291.323   11.162 -12.39816 6.563096 
1 1 1   -9    8   30 o  132.757   4.1232  176.880   10.940 2.553024 8.246344 
1 1 1   -9    8   31 o  121.197   4.4983  149.007   10.869 -5.322052 8.996607 
1 1 1   -9    8   32 o   63.765   8.5794   43.619   10.531 -2.536045 17.15872 
1 1 1   -9    8   33 o   97.337   5.7317   99.473   10.834 -21.19778 11.46349 
1 1 1   -9    8   34 o   66.660   8.2228   46.574   10.686 10.23275 16.44551 
1 1 1   -9    8   35 o   31.897   9.5323   1.6220   10.708 -4.979736 19.06461 
1 1 1   -9    8   36 o   87.381   6.3233   78.598   10.998 -9.652397 12.64669 
1 1 1   -9    8   37 o   66.573   8.1317   46.719   10.520 -10.50813 16.26342 
1 1 1   -9    9    1 o  544.641   7.6474  2970.16   83.302      ?      ? 
1 1 1   -9    9    2 o  535.528   7.5218  2871.48   80.563      ?      ? 
1 1 1   -9    9    3 o  331.591   5.1766  1100.18   34.330      ?      ? 
1 1 1   -9    9    4 o  274.758   4.7657  755.308   26.188      ?      ? 
1 1 1   -9    9    5 o  257.306   4.7516  662.413   24.452      ?      ? 
1 1 1   -9    9    6 o  566.002   7.9512  3208.50   90.008      ?      ? 
1 1 1   -9    9    7 f  314.241   3.7500  985.963   23.542 17.94876 7.499949 
1 1 1   -9    9    8 o  288.856   3.7616  833.783   21.710 17.49951 7.523104 
1 1 1   -9    9    9 o  614.008   6.1209  3776.79   75.162 -2.615051 12.24170 
1 1 1   -9    9   10 o  522.805   7.5196  2737.15   78.626      ?      ? 
1 1 1   -9    9   11 o  108.450   9.8885  117.900   21.448      ?      ? 
1 1 1   -9    9   12 o  214.059   5.9470  458.605   25.460      ?      ? 
1 1 1   -9    9   13 o  651.313   5.6204  4245.68   68.853 1.853333 11.24080 
1 1 1   -9    9   14 o   60.962   7.5513   49.510   12.769 -69.83091 15.10258 
1 1 1   -9    9   15 o  364.214   3.7191  1316.38   25.119 8.139069 7.438213 
1 1 1   -9    9   16 o  410.080   3.9381  1665.57   29.930 11.47119 7.876186 
1 1 1   -9    9   17 o  232.392   3.7976  550.156   16.061 -10.06638 7.595162 
1 1 1   -9    9   18 o  327.025   2.9132  1069.04   19.031 8.044098 5.826313 
1 1 1   -9    9   19 o  276.230   2.8868  763.876   15.934 -0.7504272 5.773657 
1 1 1   -9    9   20 o  142.930   4.1516  205.333   11.825 -6.404541 8.303278 
1 1 1   -9    9   21 o  116.393   4.9453  135.891   11.497 1.536179 9.890535 
1 1 1   -9    9   22 f  211.129   3.0550  446.382   12.887 2.065094 6.110032 
1 1 1   -9    9   23 o   91.473   5.8181   84.198   10.615 9.344704 11.63628 
1 1 1   -9    9   24 o  135.753   3.9759  185.008   10.789 1.006577 7.951761 
1 1 1   -9    9   25 o  142.389   3.8305  202.915   10.877 15.34009 7.661048 
1 1 1   -9    9   26 o  168.535   5.0422  285.447   16.996      ?      ? 
1 1 1   -9    9   27 o  283.737   4.3152  806.346   24.488      ?      ? 
1 1 1   -9    9   28 o   32.160   9.5672   1.9690   10.474 1.712177 19.13444 
1 1 1   -9    9   29 o  120.141   4.5333  146.198   10.875 -8.289665 9.066653 
1 1 1   -9    9   31 o   29.258   9.1163  -2.9284   10.349 0.7834911 18.23252 
1 1 1   -9    9   32 f  100.467   5.3529  102.391   10.723 -3.353592 10.70587 
1 1 1   -9    9   33 o   46.773   10.236   23.704   10.615 -4.555737 20.47163 
1 1 1   -9    9   34 o   73.795   7.3277   56.233   10.761 0.3554535E-01 14.65531 
1 1 1   -9    9   35 o   87.826   6.2695   79.319   10.942 -0.7679062 12.53906 
1 1 1   -9    9   36 o   53.704   10.005   31.617   10.984 8.887936 20.00973 
1 1 1   -9    9   37 o   33.719   9.3702   3.2685   10.358 -15.79649 18.74048 
1 1 1   -9   10    1 o  327.116   5.1220  1070.70   33.510      ?      ? 
1 1 1   -9   10    2 o  304.165   4.9400  925.694   30.052      ?      ? 
1 1 1   -9   10    3 o  408.492   5.9539  1670.07   48.642      ?      ? 
1 1 1   -9   10    4 o  285.171   4.7911  813.680   27.326      ?      ? 
1 1 1   -9   10    5 o  327.048   5.1877  1070.31   33.932      ?      ? 
1 1 1   -9   10    6 o  605.158   8.4625  3668.65  102.423      ?      ? 
1 1 1   -9   10    7 o  421.530   4.4606  1772.83   37.533 21.86618 8.921125 
1 1 1   -9   10    8 o  368.934   4.1396  1346.60   30.335 35.67966 8.279241 
1 1 1   -9   10    9 o  389.786   4.3486  1409.95   32.334 93.89093 8.697288 
1 1 1   -9   10   10 o  574.409   4.9995  3291.12   53.818 5.914001 9.998916 
1 1 1   -9   10   11 o  201.655   5.9209  406.993   23.880      ?      ? 
1 1 1   -9   10   12 o  266.646   3.3833  716.859   16.919 -5.913269 6.766531 
1 1 1   -9   10   13 o  442.209   4.0781  1965.53   34.085 -5.650940 8.156154 
1 1 1   -9   10   14 o  623.286   5.4549  3779.19   61.718 41.90137 10.90981 
1 1 1   -9   10   15 f  206.220   3.8764  440.608   14.702 -19.49309 7.752872 
1 1 1   -9   10   16 o  214.601   3.7596  464.544   14.801 -4.165604 7.519121 
1 1 1   -9   10   17 o  107.995   6.7177  124.187   12.734 -14.64890 13.43542 
1 1 1   -9   10   18 o  124.089   6.0475  162.337   13.221 -14.01940 12.09502 
1 1 1   -9   10   19 o  377.272   3.0813  1424.76   23.243 2.538239 6.162512 
1 1 1   -9   10   20 o   84.543   6.7681   71.805   11.340 15.43672 13.53629 
1 1 1   -9   10   21 o   46.218   14.827   21.376   15.501      ?      ? 
1 1 1   -9   10   22 o  345.374   2.9488  1194.80   20.365 0.1934814 5.897513 
1 1 1   -9   10   23 o   98.651   5.4212   98.185   10.671 -3.932411 10.84236 
1 1 1   -9   10   24 f  244.004   3.4377  595.139   15.927 -2.719101 6.875484 
1 1 1   -9   10   25 o   74.580   7.0739   56.958   10.462 -9.450340 14.14772 
1 1 1   -9   10   26 o  266.343   4.3338  710.380   23.086      ?      ? 
1 1 1   -9   10   27 o   17.836   8.9952 -47.0133   14.953      ?      ? 
1 1 1   -9   10   28 f  107.206   5.0863  116.769   10.849 -9.995468 10.17263 
1 1 1   -9   10   29 o  153.633   4.1602  239.581   12.749 -10.49426 8.320490 
1 1 1   -9   10   30 o  134.659   6.8005  182.970   18.315      ?      ? 
1 1 1   -9   10   31 o   43.286   10.099   18.482   10.381 11.84321 20.19740 
1 1 1   -9   10   32 o   96.073   5.5862   93.045   10.708 7.898033 11.17242 
1 1 1   -9   10   33 o   36.699   9.8540   8.0116   10.539 14.09022 19.70790 
1 1 1   -9   10   34 o  143.996   3.9214  209.412   11.249 -0.8639374 7.842788 
1 1 1   -9   10   35 f   68.168   8.1393   49.105   10.786 -2.229767 16.27864 
1 1 1   -9   10   36 f  103.406   5.3909  108.664   11.127 -2.727547 10.78183 
1 1 1   -9   10   37 o   45.816   8.9138   26.839   10.121 -30.94693 17.82756 
1 1 1   -9   11    1 o  682.464   9.4625  4667.87  129.156      ?      ? 
1 1 1   -9   11    2 o  396.250   5.8546  1571.47   46.398      ?      ? 
1 1 1   -9   11    3 o  365.723   5.5029  1338.54   40.251      ?      ? 
1 1 1   -9   11    4 o  346.262   5.3524  1199.82   37.066      ?      ? 
1 1 1   -9   11    5 o  346.272   5.4076  1199.90   37.450      ?      ? 
1 1 1   -9   11    6 o  296.707   5.1019  880.910   30.275      ?      ? 
1 1 1   -9   11    7 o  592.417   5.9035  3514.22   69.927 10.35419 11.80692 
1 1 1   -9   11    8 o  536.883   5.4386  2882.42   58.337 17.08685 10.87720 
1 1 1   -9   11    9 o  557.054   5.6211  3106.01   62.595 -10.13464 11.24212 
1 1 1   -9   11   10 o  478.476   6.9823  2292.15   66.817      ?      ? 
1 1 1   -9   11   11 f  297.482   3.3666  893.664   18.891 -8.378326 6.733117 
1 1 1   -9   11   12 o  629.573   5.4461  3942.79   63.948 12.05499 10.89220 
1 1 1   -9   11   13 o  489.158   4.4221  2350.88   39.796 22.75687 8.844269 
1 1 1   -9   11   14 o  248.853   3.5190  632.065   16.342 -14.22121 7.037961 
1 1 1   -9   11   15 o  202.647   3.7753  425.953   14.041 -19.55258 7.550537 
1 1 1   -9   11   16 o  225.614   3.6032  508.699   14.992 0.9776611 7.206494 
1 1 1   -9   11   17 o  266.998   3.5318  712.240   17.356 1.405487 7.063552 
1 1 1   -9   11   18 o  256.495   3.5814  653.635   16.764 4.838470 7.162837 
1 1 1   -9   11   19 o  103.004   7.7242  122.114   13.101 -29.60351 15.44833 
1 1 1   -9   11   20 o  426.814   3.2873  1825.02   28.061 -1.748413 6.574681 
1 1 1   -9   11   21 o  258.610   2.8802  669.836   14.889 0.5888062 5.760393 
1 1 1   -9   11   22 f  432.184   4.6481  1872.17   40.177      ?      ? 
1 1 1   -9   11   23 o   43.271   10.176   18.349   10.299 0.2837868 20.35258 
1 1 1   -9   11   24 o   91.280   6.8603   85.490   11.837 3.955002 13.72061 
1 1 1   -9   11   25 o   74.065   7.3025   55.889   10.792 7.122002 14.60499 
1 1 1   -9   11   27 f  178.535   3.2567  320.371   11.615 -9.776825 6.513494 
1 1 1   -9   11   28 o  125.411   4.3730  158.520   10.965 2.844818 8.745931 
1 1 1   -9   11   30 o  164.335   3.8745  272.276   12.724 1.445618 7.748988 
1 1 1   -9   11   31 o   20.543   7.1592 -31.6230   10.570 -1.371817 14.31837 
1 1 1   -9   11   32 o   64.652   8.5212   44.097   10.733 13.64516 17.04231 
1 1 1   -9   11   33 f  105.528   5.1659  114.141   10.799 -8.679428 10.33181 
1 1 1   -9   11   34 o   66.222   8.3436   47.241   10.653 -8.571133 16.68718 
1 1 1   -9   11   35 o   39.969   10.271   14.602   10.788 -5.788857 20.54218 
1 1 1   -9   11   36 f  100.001   5.5459  103.066   10.922 -16.90874 11.09183 
1 1 1   -9   12    1 o  292.041   4.9095  853.381   28.675      ?      ? 
1 1 1   -9   12    2 o  262.268   4.7870  688.227   25.109      ?      ? 
1 1 1   -9   12    3 o  455.170   6.5694  2073.98   59.804      ?      ? 
1 1 1   -9   12    4 o  594.264   8.3219  3537.51   98.908      ?      ? 
1 1 1   -9   12    5 o  300.963   5.1376  906.391   30.925      ?      ? 
1 1 1   -9   12    6 f  184.589   5.5085  340.996   20.336      ?      ? 
1 1 1   -9   12    7 o  367.535   4.1042  1350.80   30.146 -7.511536 8.208478 
1 1 1   -9   12    8 o  292.174   3.8082  849.785   22.187 -19.68530 7.616477 
1 1 1   -9   12    9 o  571.481   5.7355  3271.21   65.547 -5.191162 11.47097 
1 1 1   -9   12   10 o  212.023   3.5163  464.116   13.719 -18.04721 7.032527 
1 1 1   -9   12   11 o  137.097   5.3282  220.043   12.154 -50.96021 10.65640 
1 1 1   -9   12   12 o  761.324   6.5274  5725.17   91.722 28.44543 13.05483 
1 1 1   -9   12   13 o  281.690   3.4597  801.197   18.126 -6.923279 6.919343 
1 1 1   -9   12   14 o  163.158   4.2900  271.475   12.743 -7.444275 8.579914 
1 1 1   -9   12   15 o  192.448   4.1515  370.664   15.979      ?      ? 
1 1 1   -9   12   16 o  300.473   3.4648  905.154   19.282 -1.155487 6.929615 
1 1 1   -9   12   17 f  465.886   4.2706  2152.85   36.867 12.25137 8.541198 
1 1 1   -9   12   18 o  270.169   3.5760  739.528   17.703 -8.109497 7.152038 
1 1 1   -9   12   19 o  337.694   6.0234  1143.41   40.681      ?      ? 
1 1 1   -9   12   20 o  252.117   3.5376  634.855   16.360 2.111618 7.075270 
1 1 1   -9   12   21 o   61.105   8.7052   39.389   10.245 -4.137695 17.41044 
1 1 1   -9   12   22 o  195.651   2.9880  383.906   11.683 -6.430756 5.975957 
1 1 1   -9   12   23 o  129.630   4.0390  168.780   10.466 5.813995 8.078096 
1 1 1   -9   12   24 o  177.449   3.8558  308.482   13.128 -15.05341 7.711607 
1 1 1   -9   12   26 o   44.680   10.254   20.619   10.826 -10.09111 20.50860 
1 1 1   -9   12   27 o   36.748   9.8236   9.8132   10.104 7.872009 19.64712 
1 1 1   -9   12   28 o   21.716   7.4905 -25.4381   10.618 -0.4405022E-01 14.98104 
1 1 1   -9   12   29 o  136.447   4.4704  188.037   12.076 -24.05571 8.940738 
1 1 1   -9   12   30 o   37.685   10.141   9.9191   11.058 10.82448 20.28282 
1 1 1   -9   12   31 o  133.293   4.2136  179.318   11.201 -5.110031 8.427200 
1 1 1   -9   12   32 o   40.830   9.9607   15.767   10.441 -11.78075 19.92148 
1 1 1   -9   12   33 f   92.102   5.7408   86.232   10.518 2.738403 11.48166 
1 1 1   -9   12   34 o   49.174   9.3288   26.938   10.547 -26.06384 18.65769 
1 1 1   -9   12   35 o   48.168   10.217   25.196   10.749 -6.889713 20.43479 
1 1 1   -9   12   36 o   63.681   8.3795   44.087   10.314 -15.17870 16.75897 
1 1 1   -9   13    1 o  485.617   6.9299  2361.11   67.306      ?      ? 
1 1 1   -9   13    2 o  313.321   5.1147  982.356   32.051      ?      ? 
1 1 1   -9   13    3 o  278.176   5.0348  774.322   28.011      ?      ? 
1 1 1   -9   13    4 o  293.932   5.1303  864.534   30.159      ?      ? 
1 1 1   -9   13    5 o  541.565   7.6740  2937.13   83.119      ?      ? 
1 1 1   -9   13    6 o  353.157   5.5721  1248.12   39.356      ?      ? 
1 1 1   -9   13    7 o  313.534   3.8186  965.013   23.701 43.39325 7.637276 
1 1 1   -9   13    8 o  326.346   3.8646  1065.39   25.212 -5.949066 7.729221 
1 1 1   -9   13    9 o  190.520   4.2335  362.049   15.987 -35.39000 8.467093 
1 1 1   -9   13   10 o  147.374   4.4244  222.814   11.777 -8.768326 8.848789 
1 1 1   -9   13   11 o  138.348   4.6407  172.678   11.849 34.89355 9.281425 
1 1 1   -9   13   12 o  499.219   4.4458  2498.48   41.737 -1.697510 8.891589 
1 1 1   -9   13   13 f  376.587   3.6696  1428.05   25.998 -6.653870 7.339280 
1 1 1   -9   13   14 o  190.856   4.0840  364.548   15.589      ?      ? 
1 1 1   -9   13   15 o  255.172   3.4197  648.373   15.891 3.240585 6.839413 
1 1 1   -9   13   16 o   74.250   9.0745   57.406   11.537 -3.726364 18.14892 
1 1 1   -9   13   17 o  264.682   3.5008  705.831   16.988 -4.171265 7.001688 
1 1 1   -9   13   18 o  190.520   4.0817  358.644   13.825 5.669144 8.163416 
1 1 1   -9   13   19 o  202.166   3.8875  412.580   14.115 -3.275253 7.775000 
1 1 1   -9   13   20 o  238.040   3.4634  573.517   15.201 -6.356949 6.926733 
1 1 1   -9   13   21 o   77.797   7.9999   58.339   11.503 9.562431 15.99984 
1 1 1   -9   13   22 o   77.941   6.3196   61.801   9.7901 -6.677940 12.63913 
1 1 1   -9   13   23 o   72.264   6.7473   52.765   9.7307 3.255875 13.49455 
1 1 1   -9   13   24 o   21.353   10.676 -52.7786   19.254      ?      ? 
1 1 1   -9   13   26 o   58.843   8.6901   37.037   10.045 -13.85492 17.38026 
1 1 1   -9   13   27 o   37.097   9.6765   9.3911   10.156 14.23927 19.35298 
1 1 1   -9   13   28 o  106.311   7.1830  113.589   15.273      ?      ? 
1 1 1   -9   13   29 o   49.087   9.9331   25.384   10.698 17.17400 19.86614 
1 1 1   -9   13   30 o   30.421   9.2291  -1.4857   10.472 -6.917873 18.45827 
1 1 1   -9   13   31 o   97.369   5.5102   97.361   10.639 -9.807503 11.02045 
1 1 1   -9   13   32 o   82.006   6.3917   69.461   10.364 -5.899254 12.78340 
1 1 1   -9   13   33 o   85.600   6.2023   76.106   10.430 -7.995171 12.40458 
1 1 1   -9   13   34 o  189.621   3.2331  362.212   12.166 -1.524841 6.466147 
1 1 1   -9   13   35 o   97.672   5.5081   97.651   10.615 -5.811569 11.01627 
1 1 1   -9   14    1 o  475.894   4.9011  2249.94   46.320 -29.17380 9.802115 
1 1 1   -9   14    2 o  314.209   5.1819  987.905   32.564      ?      ? 
1 1 1   -9   14    3 o  581.686   8.1662  3389.03   95.003      ?      ? 
1 1 1   -9   14    4 o  307.700   5.2003  947.447   32.003      ?      ? 
1 1 1   -9   14    5 o  336.427   5.4345  1132.78   36.566      ?      ? 
1 1 1   -9   14    6 o  186.534   5.7394  348.328   21.412      ?      ? 
1 1 1   -9   14    7 o  166.417   4.3052  276.259   14.294 -16.21526 8.610390 
1 1 1   -9   14    8 o  207.071   3.8943  429.214   16.127 1.760117 7.788631 
1 1 1   -9   14    9 o  285.886   3.7852  818.035   21.642 -3.196838 7.570424 
1 1 1   -9   14   10 o  589.036   5.1239  3433.97   55.916 18.38586 10.24789 
1 1 1   -9   14   11 o  167.207   4.0159  290.246   12.117 -15.02310 8.031727 
1 1 1   -9   14   12 o  284.500   3.2910  810.114   17.293 -0.5096436E-01 6.582047 
1 1 1   -9   14   13 f  328.101   3.4233  1074.37   20.773 2.533234 6.846655 
1 1 1   -9   14   14 o  188.204   3.8140  365.908   12.806 -13.63399 7.628063 
1 1 1   -9   14   15 o  199.288   3.6819  405.492   13.258 -9.329575 7.363890 
1 1 1   -9   14   16 o  303.308   3.4382  917.101   19.210 3.360199 6.876388 
1 1 1   -9   14   17 f  218.503   3.6684  463.932   14.501 14.94748 7.336781 
1 1 1   -9   14   18 o  158.679   4.6189  259.311   12.827 -8.950867 9.237713 
1 1 1   -9   14   19 o  275.179   3.3773  747.305   16.978 9.967804 6.754624 
1 1 1   -9   14   20 o   78.419   8.2767   62.969   11.207 -0.6989975 16.55344 
1 1 1   -9   14   21 o  139.317   4.6451  198.266   11.648 -5.478500 9.290195 
1 1 1   -9   14   22 o   88.435   6.9647   72.217   11.193 18.18827 13.92935 
1 1 1   -9   14   23 o   98.378   5.0697   98.384   9.8924 -5.409866 10.13939 
1 1 1   -9   14   24 f  169.308   6.4983  287.359   22.004      ?      ? 
1 1 1   -9   14   25 o  179.515   3.1424  323.068   11.252 6.017059 6.284898 
1 1 1   -9   14   26 o   28.165   8.8011  -3.7386   9.7826 -1.593842 17.60215 
1 1 1   -9   14   27 o   96.572   5.7193   96.009   10.947 -9.273331 11.43854 
1 1 1   -9   14   28 o   43.511   10.280   17.638   10.827 12.67486 20.56031 
1 1 1   -9   14   29 o   87.048   6.0005   77.101   10.419 8.612572 12.00105 
1 1 1   -9   14   30 o  119.799   4.4622  144.549   10.653 0.8297195 8.924379 
1 1 1   -9   14   31 o   81.733   8.4024   68.189   13.735      ?      ? 
1 1 1   -9   14   32 o   50.272   9.5259   28.101   9.9146 -10.34483 19.05183 
1 1 1   -9   14   33 o   65.515   8.0112   45.464   10.170 -1.268639 16.02245 
1 1 1   -9   14   34 o   50.838   9.5464   29.158   10.378 -18.08365 19.09279 
1 1 1   -9   14   35 o  131.578   3.9308  176.136   10.235 -8.564629 7.861654 
1 1 1   -9   15    1 o  299.708   3.7225  899.949   22.286 7.498932 7.444934 
1 1 1   -9   15    2 o  650.916   9.0766  4248.58  118.162      ?      ? 
1 1 1   -9   15    3 f  783.778   10.857  6168.10  170.194      ?      ? 
1 1 1   -9   15    4 o  320.722   5.2753  1029.61   33.838      ?      ? 
1 1 1   -9   15    5 o  346.773   5.5554  1203.74   38.529      ?      ? 
1 1 1   -9   15    6 o  355.347   5.5891  1263.96   39.721      ?      ? 
1 1 1   -9   15    7 o  275.008   3.6950  742.289   20.124 43.01413 7.389924 
1 1 1   -9   15    8 o  135.405   5.1887  183.614   14.044 1.778885 10.37741 
1 1 1   -9   15    9 o  486.224   4.9850  2368.79   48.476 -1.302002 9.969958 
1 1 1   -9   15   10 o  454.567   4.1034  2052.58   34.652 9.584778 8.206757 
1 1 1   -9   15   11 o  276.795   3.2359  764.338   16.496 2.250641 6.471883 
1 1 1   -9   15   12 o  147.120   4.3091  223.048   11.134 -9.135208 8.618164 
1 1 1   -9   15   13 o  242.970   3.3141  589.941   14.546 0.9523468 6.628263 
1 1 1   -9   15   14 o  364.637   3.5883  1327.57   24.250 2.768219 7.176556 
1 1 1   -9   15   15 o   59.190   9.3509   46.006   11.169 -36.63191 18.70175 
1 1 1   -9   15   16 o  164.704   7.2592  272.237   23.912      ?      ? 
1 1 1   -9   15   17 o  414.201   3.9399  1691.35   29.873 16.79736 7.879832 
1 1 1   -9   15   18 o  255.287   3.4192  662.906   15.911 -9.655960 6.838375 
1 1 1   -9   15   19 o  160.978   4.1703  267.234   11.881 -10.01407 8.340631 
1 1 1   -9   15   20 o  172.422   3.8983  304.652   12.040 -8.565323 7.796574 
1 1 1   -9   15   21 o  161.373   4.1095  260.306   11.808 1.532822 8.219065 
1 1 1   -9   15   22 o  337.777   3.5186  1130.90   21.843 10.59473 7.037206 
1 1 1   -9   15   23 o  193.709   3.9061  358.224   13.542 19.96872 7.812156 
1 1 1   -9   15   24 o  172.588   3.9653  296.065   13.393 -10.41815 7.930578 
1 1 1   -9   15   25 f   73.983   6.5471   55.066   9.6151 12.55424 13.09429 
1 1 1   -9   15   26 o  116.161   6.0737  136.773   14.111      ?      ? 
1 1 1   -9   15   27 o  105.762   5.1324  112.702   10.776 -2.525230 10.26473 
1 1 1   -9   15   28 o   24.575   8.1078 -13.6988   10.065 -3.900290 16.21564 
1 1 1   -9   15   29 f   85.222   6.2558   75.484   10.446 -15.04167 12.51151 
1 1 1   -9   15   30 o   39.861   9.9322   14.275   10.114 11.87287 19.86450 
1 1 1   -9   15   31 o   50.882   9.5682   28.844   10.198 -14.01210 19.13641 
1 1 1   -9   15   32 o   92.887   5.5115   87.834   10.174 1.433685 11.02296 
1 1 1   -9   15   33 o   28.320   8.9343  -4.9673   10.160 5.237440 17.86856 
1 1 1   -9   15   34 f  185.101   3.2360  346.241   11.861 -7.775940 6.472015 
1 1 1   -9   15   35 o   63.309   9.7065   90.481   12.290      ?      ? 
1 1 1   -9   16    1 o  218.737   3.7857  481.495   16.444 12.02072 7.571440 
1 1 1   -9   16    2 o  310.634   5.1798  965.753   32.181      ?      ? 
1 1 1   -9   16    3 o  420.355   6.1920  1769.14   52.057      ?      ? 
1 1 1   -9   16    4 o  354.434   5.5769  1257.52   39.533      ?      ? 
1 1 1   -9   16    5 f  152.893   6.1748  234.075   18.882      ?      ? 
1 1 1   -9   16    6 o  364.682   5.6908  1331.55   41.506      ?      ? 
1 1 1   -9   16    7 o  377.729   4.1328  1428.75   31.221 0.3851013 8.265540 
1 1 1   -9   16    8 o  272.651   3.6478  744.184   19.888 0.8921814 7.295571 
1 1 1   -9   16    9 o  137.285   5.0060  189.821   13.678 -11.33292 10.01195 
1 1 1   -9   16   10 o  239.136   3.2073  567.525   13.892 4.705429 6.414629 
1 1 1   -9   16   11 o  337.575   3.4110  1141.39   21.351 -0.4767761 6.822068 
1 1 1   -9   16   12 o  277.435   3.2518  777.134   16.563 -6.091644 6.503596 
1 1 1   -9   16   13 o  302.446   3.3135  918.101   18.449 -1.971680 6.626925 
1 1 1   -9   16   14 o  417.209   3.8748  1756.98   30.463 -9.802155 7.749570 
1 1 1   -9   16   15 o  207.418   3.5860  435.984   13.311 -5.599289 7.172040 
1 1 1   -9   16   16 o  259.796   3.3519  670.154   15.735 5.325104 6.703868 
1 1 1   -9   16   17 o  142.717   4.7670  219.641   11.549 -21.34636 9.534007 
1 1 1   -9   16   18 o  129.581   4.9172  168.247   11.094 0.5092926 9.834323 
1 1 1   -9   16   19 o  227.131   3.3368  515.921   13.846 1.254501 6.673600 
1 1 1   -9   16   20 o   65.500   8.9851   61.022   10.516 -45.94158 17.97010 
1 1 1   -9   16   21 o  290.773   3.3556  854.957   18.024 -6.165527 6.711231 
1 1 1   -9   16   22 f   85.666   8.8156  122.462   12.052 -90.42535 17.63122 
1 1 1   -9   16   23 o   62.511   9.4705   29.030   11.745 50.77994 18.94097 
1 1 1   -9   16   24 o   94.421   7.6683   95.963   13.683 -23.29940 15.33650 
1 1 1   -9   16   25 o   71.640   6.7127   51.863   9.5606 10.73263 13.42537 
1 1 1   -9   16   26 o   95.194   5.5466   93.258   10.292 -22.34730 11.09321 
1 1 1   -9   16   28 o   81.186   6.2227   68.409   9.9460 -9.580765 12.44544 
1 1 1   -9   16   29 o  144.304   3.7392  210.318   10.737 -7.278992 7.478499 
1 1 1   -9   16   30 f   74.516   6.8223   57.954   9.9619 -9.892937 13.64456 
1 1 1   -9   16   31 o   78.530   6.6067   62.638   10.297 6.280579 13.21342 
1 1 1   -9   16   32 o  147.837   3.8032  222.868   11.030 -8.524994 7.606311 
1 1 1   -9   16   33 o   38.789   10.103   13.433   10.279 -1.927822 20.20689 
1 1 1   -9   16   34 o  125.372   4.2588  160.929   10.493 -9.941589 8.517503 
1 1 1   -9   17    1 o  444.333   4.6442  1976.78   41.262 13.10370 9.288414 
1 1 1   -9   17    2 o  419.576   4.4482  1763.00   37.321 10.65976 8.896469 
1 1 1   -9   17    3 o  381.651   5.8015  1458.53   44.283      ?      ? 
1 1 1   -9   17    4 o  291.014   5.0283  847.775   29.266      ?      ? 
1 1 1   -9   17    5 f  261.916   4.9724  686.719   26.047      ?      ? 
1 1 1   -9   17    6 f  118.361   7.7566  140.465   18.362      ?      ? 
1 1 1   -9   17    7 o  145.866   4.6886  213.267   13.648 -0.7144775 9.377242 
1 1 1   -9   17    8 f  263.722   3.6660  696.553   19.319 -1.353882 7.331918 
1 1 1   -9   17    9 o  165.202   4.3478  272.885   14.337 5.304703 8.695561 
1 1 1   -9   17   10 o  111.803   5.2161  125.194   11.664      ?      ? 
1 1 1   -9   17   11 o   91.057   6.5849   88.499   10.169 -11.35436 13.16986 
1 1 1   -9   17   12 o  369.799   3.5636  1371.42   24.545 -1.528748 7.127190 
1 1 1   -9   17   13 o  199.605   3.5970  416.004   12.693 -19.02156 7.194074 
1 1 1   -9   17   14 o  311.968   3.3855  973.799   19.306 0.7086792 6.770998 
1 1 1   -9   17   15 o  130.495   4.9078  170.426   11.003 0.7060089 9.815659 
1 1 1   -9   17   16 o  147.152   4.4148  224.671   11.233 -10.41536 8.829623 
1 1 1   -9   17   17 o  263.314   3.2727  698.436   15.756 -3.519012 6.545411 
1 1 1   -9   17   18 o  169.621   3.7342  294.186   11.450 -7.936295 7.468434 
1 1 1   -9   17   19 o  131.454   4.7889  177.037   11.041 -5.351563 9.577742 
1 1 1   -9   17   20 o  274.611   3.2890  760.004   16.725 -3.529572 6.578065 
1 1 1   -9   17   21 o  113.657   9.4145  130.574   21.400      ?      ? 
1 1 1   -9   17   22 o  217.039   3.5142  432.484   13.946 43.56747 7.028317 
1 1 1   -9   17   23 o   46.835   10.456   23.600   10.819 -7.589108 20.91222 
1 1 1   -9   17   24 o   92.985   6.4042   90.053   10.602 -5.890205 12.80847 
1 1 1   -9   17   25 o   34.934   9.6347   5.4122   11.109 -12.50302 19.26935 
1 1 1   -9   17   26 o  121.087   5.2265  145.742   11.774 4.941864 10.45301 
1 1 1   -9   17   27 o  105.442   4.6356  113.143   9.7060 -4.979477 9.271113 
1 1 1   -9   17   28 o  117.951   4.3105  139.158   10.116 7.987068 8.620934 
1 1 1   -9   17   29 o  171.013   3.2306  294.263   10.990 1.309509 6.461197 
1 1 1   -9   17   30 o   80.046   6.4164   66.988   10.008 -9.096855 12.83279 
1 1 1   -9   17   31 o   49.136   9.8176   26.245   9.9332 2.839584 19.63522 
1 1 1   -9   17   32 o  160.037   3.5035  256.146   11.053 6.869736 7.006970 
1 1 1   -9   17   33 o  123.896   4.3024  153.498   10.542 7.420914 8.604797 
1 1 1   -9   18    1 o  572.446   5.7162  3286.45   65.443 4.454895 11.43236 
1 1 1   -9   18    2 o  312.006   3.7567  973.470   23.420 19.06461 7.513459 
1 1 1   -9   18    3 o  203.136   3.8051  414.722   15.368 7.919907 7.610211 
1 1 1   -9   18    4 o  237.263   4.9947  563.605   23.701      ?      ? 
1 1 1   -9   18    5 o  120.836   7.4971  146.419   18.118      ?      ? 
1 1 1   -9   18    6 f  303.598   5.2782  923.053   32.049      ?      ? 
1 1 1   -9   18    7 o  375.298   4.1138  1411.13   30.874 -0.3337402 8.227508 
1 1 1   -9   18    8 o  258.418   3.6698  669.077   18.941 -1.830078 7.339653 
1 1 1   -9   18    9 o  396.356   6.0015  1574.40   47.575      ?      ? 
1 1 1   -9   18   10 o  391.953   3.6968  1539.12   26.992 -0.4259033 7.393562 
1 1 1   -9   18   11 o  185.582   3.6391  357.163   11.923 -14.55237 7.278260 
1 1 1   -9   18   12 o  249.268   3.2167  601.379   14.254 17.79517 6.433355 
1 1 1   -9   18   13 o  153.625   4.1461  247.082   10.865 -13.48460 8.292164 
1 1 1   -9   18   14 o  175.859   3.7959  320.959   11.612 -13.01230 7.591883 
1 1 1   -9   18   15 o  306.407   3.3495  939.944   18.721 0.4846191 6.698962 
1 1 1   -9   18   16 f  196.569   3.6007  398.492   12.508 -12.47160 7.201405 
1 1 1   -9   18   17 o  311.905   3.3169  970.471   18.987 3.812073 6.633735 
1 1 1   -9   18   18 o  182.867   3.6008  342.976   11.762 -9.373199 7.201647 
1 1 1   -9   18   19 o  170.857   3.8450  292.860   11.838 0.2924194 7.690070 
1 1 1   -9   18   20 o  184.132   6.3695  340.687   23.457      ?      ? 
1 1 1   -9   18   21 o  161.046   4.0615  247.223   12.281 22.13467 8.123084 
1 1 1   -9   18   22 o   73.432   8.9029   64.701   10.719 -24.25484 17.80571 
1 1 1   -9   18   23 o  167.424   3.9079  284.166   11.808 -3.381882 7.815855 
1 1 1   -9   18   24 o   74.126   8.4143   64.278   10.803 -23.18087 16.82863 
1 1 1   -9   18   25 o  179.995   3.6104  316.339   12.359 14.95444 7.220716 
1 1 1   -9   18   26 o   36.775   9.6266   10.388   10.452 -12.43756 19.25312 
1 1 1   -9   18   27 o   70.792   8.9510   57.441   10.834 -16.51538 17.90190 
1 1 1   -9   18   28 o  138.390   4.6245  204.828   11.443 -19.02113 9.249002 
1 1 1   -9   18   29 o   60.293   8.3827   40.034   9.7079 -15.59774 16.76544 
1 1 1   -9   18   30 o   46.223   9.7428   23.424   9.9610 -10.19135 19.48556 
1 1 1   -9   18   31 o   84.885   6.0257   74.403   9.9972 -4.793709 12.05131 
1 1 1   -9   18   32 o   89.877   5.7297   83.329   10.067 -7.331551 11.45949 
1 1 1   -9   18   33 o   62.755   7.8818   42.546   9.5117 -4.798729 15.76352 
1 1 1   -9   19    1 o  444.177   4.6048  1977.43   40.905 5.635651 9.209613 
1 1 1   -9   19    2 o  304.219   3.6880  927.204   22.394 1.870667 7.375984 
1 1 1   -9   19    3 o  369.058   4.0635  1361.12   29.955 20.79367 8.126904 
1 1 1   -9   19    4 o  363.961   5.6372  1327.07   41.034      ?      ? 
1 1 1   -9   19    5 o  197.196   5.4667  389.543   21.560      ?      ? 
1 1 1   -9   19    6 o  211.474   5.3859  447.993   22.780      ?      ? 
1 1 1   -9   19    7 o  248.483   3.6328  618.910   18.021 -3.416763 7.265591 
1 1 1   -9   19    8 o  240.285   3.7032  579.991   17.743 -12.60493 7.406363 
1 1 1   -9   19    9 o  306.260   3.7755  939.185   23.082 2.172913 7.551067 
1 1 1   -9   19   10 o  106.902   5.2333   99.358   10.036 32.10317 10.46669 
1 1 1   -9   19   11 o  244.979   3.2493  606.466   14.267 -5.039520 6.498548 
1 1 1   -9   19   12 o  169.123   3.7612  286.964   10.786 -0.3893280 7.522363 
1 1 1   -9   19   13 o   58.927   9.4394   32.409   9.3590 12.47261 18.87885 
1 1 1   -9   19   14 o  116.144   4.9787  140.842   9.7813 -8.968353 9.957405 
1 1 1   -9   19   15 o   92.070   6.4528   92.230   9.7705 -13.67678 12.90568 
1 1 1   -9   19   16 o   49.100   8.9212   29.721   9.6129 -25.49847 17.84241 
1 1 1   -9   19   17 o   65.040   9.0905   45.944   9.8487 -7.250568 18.18091 
1 1 1   -9   19   18 o  119.285   5.1555  145.057   10.554 -2.894005 10.31102 
1 1 1   -9   19   19 o  226.739   5.8448  515.774   26.505      ?      ? 
1 1 1   -9   19   20 o   64.332   9.6223   41.702   11.094 2.605530 19.24460 
1 1 1   -9   19   21 f   36.836   8.8468   10.114   10.145 -21.09197 17.69363 
1 1 1   -9   19   22 o  260.141   3.2479  681.303   15.452 -2.003662 6.495761 
1 1 1   -9   19   23 o  142.972   4.4874  217.000   11.648 -17.34171 8.974851 
1 1 1   -9   19   24 o  130.335   4.7524  150.556   11.500 67.15095 9.504900 
1 1 1   -9   19   25 o   31.082   9.1819   1.1300   10.192 -7.328505 18.36385 
1 1 1   -9   19   26 o   25.162   8.4625 -15.3742   10.555 4.339411 16.92499 
1 1 1   -9   19   27 o   86.186   6.7614   65.156   10.763 36.21401 13.52290 
1 1 1   -9   19   28 o   50.620   10.461   28.012   10.681 -2.969109 20.92116 
1 1 1   -9   19   29 o  111.132   5.8922  130.339   11.399 -9.124290 11.78444 
1 1 1   -9   19   30 o   42.249   10.663   17.787   11.135 -4.756866 21.32606 
1 1 1   -9   19   31 o   34.111   9.0620   6.5190   9.7187 -14.92301 18.12408 
1 1 1   -9   19   32 o  141.889   3.6433  204.091   10.262 -8.751419 7.286699 
1 1 1   -9   20    1 o  357.865   3.9502  1280.98   28.247 19.79294 7.900439 
1 1 1   -9   20    2 o  533.814   5.3706  2859.25   57.327 -3.752869 10.74117 
1 1 1   -9   20    3 o  306.486   3.7183  941.278   22.784 7.737854 7.436647 
1 1 1   -9   20    4 o  123.308   5.3265  153.551   13.033 16.60575 10.65294 
1 1 1   -9   20    5 o  102.271   9.0455  105.117   18.502      ?      ? 
1 1 1   -9   20    6 o  427.315   4.4892  1829.95   38.360 -8.050598 8.978472 
1 1 1   -9   20    7 o  386.025   4.1868  1490.84   32.266 11.35483 8.373594 
1 1 1   -9   20    8 o  274.288   3.6314  754.603   19.893 -6.098877 7.262769 
1 1 1   -9   20    9 o  115.624   5.5770  135.791   12.641 -6.540749 11.15403 
1 1 1   -9   20   10 o  147.617   4.5680  220.427   13.221 -5.956696 9.135986 
1 1 1   -9   20   11 o  124.542   4.4313  143.504   9.3474 17.88060 8.862527 
1 1 1   -9   20   12 o  142.095   4.2181  209.466   9.7026 -8.570084 8.436157 
1 1 1   -9   20   13 o   87.151   7.4773   94.320   9.0870 -30.69897 14.95459 
1 1 1   -9   20   14 o   92.035   6.3723   94.145   9.2437 -16.24476 12.74462 
1 1 1   -9   20   15 o  161.143   3.8787  271.752   10.562 -13.35495 7.757360 
1 1 1   -9   20   16 o  339.916   3.4290  1137.47   21.121 14.58633 6.857979 
1 1 1   -9   20   17 o  106.424   6.1783  133.314   10.540 -32.90456 12.35662 
1 1 1   -9   20   18 o  521.179   7.5773  2726.90   78.982      ?      ? 
1 1 1   -9   20   19 o   86.442   7.6516   54.143   11.114 106.9275 15.30319 
1 1 1   -9   20   20 o   66.509   8.8987   46.909   10.121 -3.746895 17.79732 
1 1 1   -9   20   21 o   86.661   6.3734   75.378   9.8421 1.815826 12.74672 
1 1 1   -9   20   22 o  128.346   4.8849  177.813   10.954 -18.14002 9.769713 
1 1 1   -9   20   23 o  156.227   3.9888  240.318   11.661 7.945770 7.977554 
1 1 1   -9   20   24 o   94.245   6.3222  102.953   10.193 -31.86962 12.64438 
1 1 1   -9   20   25 f   21.315   7.4464 -27.6995   10.059 6.385609 14.89282 
1 1 1   -9   20   26 o   58.564   9.1470   27.138   10.742 44.61897 18.29404 
1 1 1   -9   20   27 o   91.433   6.4339   80.582   10.860 12.70869 12.86773 
1 1 1   -9   20   28 o   87.662   7.2748   84.012   11.048 -12.85090 14.54954 
1 1 1   -9   20   29 o   41.607   10.841   15.632   10.974 4.759758 21.68200 
1 1 1   -9   20   30 o   34.876   10.279   4.5005   10.651 9.408291 20.55805 
1 1 1   -9   20   31 o  110.638   5.5252  123.922   10.774 0.2141571E-01 11.05049 
1 1 1   -9   21    1 o  216.056   3.5237  466.732   15.154 -3.804428 7.047423 
1 1 1   -9   21    2 o  303.693   3.6647  919.810   22.175 -14.90366 7.329347 
1 1 1   -9   21    3 o  310.002   3.7337  930.701   22.685 -51.61740 7.467348 
1 1 1   -9   21    4 o  284.011   3.6401  807.640   20.668 10.68295 7.280178 
1 1 1   -9   21    5 o  197.751   5.4188  392.019   21.431      ?      ? 
1 1 1   -9   21    6 o  348.546   3.9098  1218.56   27.249 -4.535126 7.819542 
1 1 1   -9   21    7 o  194.076   3.7260  379.451   14.377 -10.09412 7.452058 
1 1 1   -9   21    8 o  309.165   3.6814  956.781   22.698 6.471008 7.362868 
1 1 1   -9   21    9 o  200.846   3.6464  402.402   14.407 5.299255 7.292809 
1 1 1   -9   21   10 o  158.807   4.0988  254.776   12.781 -6.097580 8.197604 
1 1 1   -9   21   11 o  130.484   4.2168  172.569   9.0847 -2.501419 8.433650 
1 1 1   -9   21   12 o   62.672   8.6642   52.259   8.4995 -29.67177 17.32837 
1 1 1   -9   21   13 o  166.326   3.5696  284.654   10.044 -8.304413 7.139285 
1 1 1   -9   21   14 o  167.934   3.6436  280.020   10.235 2.992828 7.287205 
1 1 1   -9   21   15 o  118.372   5.0125  153.889   9.6618 -19.69188 10.02502 
1 1 1   -9   21   17 o  347.334   5.7816  1208.79   40.163      ?      ? 
1 1 1   -9   21   18 o   98.905   6.3758  111.438   10.656 -25.69073 12.75161 
1 1 1   -9   21   19 o  168.866   3.7138  294.105   11.142 -10.21887 7.427691 
1 1 1   -9   21   20 o  209.738   5.5293  442.715   23.194      ?      ? 
1 1 1   -9   21   21 o  101.859   5.3858  105.730   10.054 -1.445404 10.77159 
1 1 1   -9   21   22 o  194.963   3.3203  350.778   11.939 38.79448 6.640691 
1 1 1   -9   21   23 o   92.786   6.4763   98.589   10.039 -24.13982 12.95251 
1 1 1   -9   21   24 o  153.207   4.0581  244.553   11.089 -12.09856 8.116247 
1 1 1   -9   21   25 o  166.963   3.8367  280.620   11.693 -0.4694977 7.673426 
1 1 1   -9   21   26 o   39.844   9.5114   15.461   10.369 -16.75281 19.02277 
1 1 1   -9   21   27 o  193.261   3.6108  376.366   12.589 -0.5202332 7.221686 
1 1 1   -9   21   28 o   24.176   8.2248 -19.1792   10.938 1.878798 16.44963 
1 1 1   -9   21   29 o  185.443   3.7097  350.048   12.495 -4.776474 7.419397 
1 1 1   -9   21   30 o   77.054   8.0449   62.992   10.705 -4.751190 16.08981 
1 1 1   -9   21   31 o   59.193   9.0791   40.910   10.006 -2.779636 18.15821 
1 1 1   -9   22    1 o  227.428   3.4428  515.409   15.585 -13.07233 6.885576 
1 1 1   -9   22    2 f  188.263   3.6307  355.422   13.652 0.5163269 7.261346 
1 1 1   -9   22    3 o  152.819   4.1555  234.507   12.691 6.161179 8.311040 
1 1 1   -9   22    4 o  417.480   4.3777  1748.94   36.546 6.394348 8.755421 
1 1 1   -9   22    5 o  311.001   3.6840  969.589   22.912 2.939087 7.367983 
1 1 1   -9   22    6 o  207.767   3.5049  433.871   14.486 -6.104950 7.009757 
1 1 1   -9   22    7 o   52.511   10.096   30.178   11.227 -14.78613 20.19102 
1 1 1   -9   22    8 o  232.735   3.4483  539.674   15.887 9.757462 6.896559 
1 1 1   -9   22    9 o   88.258   6.6254   80.938   11.013 -8.460899 13.25080 
1 1 1   -9   22   10 o   58.312   9.7910   36.090   10.938 -0.2264442 19.58193 
1 1 1   -9   22   11 o   67.020   8.0280   52.159   7.9376 -14.79996 16.05605 
1 1 1   -9   22   12 o   53.607   8.7929   36.071   8.0110 -19.77530 17.58588 
1 1 1   -9   22   13 o  204.656   3.1358  416.409   11.087 3.299530 6.271546 
1 1 1   -9   22   14 o   55.382   5.6039   46.939   9.2837 -73.07952 11.20779 
1 1 1   -9   22   15 o  551.203   7.8587  3050.99   86.635      ?      ? 
1 1 1   -9   22   16 o  196.668   5.9727  388.192   23.493      ?      ? 
1 1 1   -9   22   17 o  139.952   4.3196  202.917   10.402 -8.251907 8.639217 
1 1 1   -9   22   18 o  192.937   3.3386  378.415   11.471 -5.504303 6.677235 
1 1 1   -9   22   19 o  185.367   3.3474  344.468   11.057 0.8869171 6.694771 
1 1 1   -9   22   20 f   94.416   10.005   90.439   18.893      ?      ? 
1 1 1   -9   22   21 o  206.670   5.2967  429.078   21.893      ?      ? 
1 1 1   -9   22   22 o   96.277   5.8700  104.672   9.6713 -24.10896 11.74004 
1 1 1   -9   22   23 o   86.443   7.5126   80.580   12.304 -18.51860 15.02528 
1 1 1   -9   22   24 o   34.498   9.8879  -0.7260   10.111 21.23325 19.77585 
1 1 1   -9   22   25 o  170.787   3.7973  294.352   11.753 -1.037781 7.594585 
1 1 1   -9   22   26 o  143.852   4.3516  210.419   11.139 -2.407761 8.703167 
1 1 1   -9   22   27 o  119.974   5.2911  150.995   10.979 -8.411209 10.58220 
1 1 1   -9   22   28 o  100.539   5.9440  100.679   10.859 5.245178 11.88802 
1 1 1   -9   22   29 o  142.434   4.2650  200.445   11.200 7.174911 8.530069 
1 1 1   -9   22   30 o   41.150   8.6892   18.465   9.5979 -24.38808 17.37836 
1 1 1   -9   23    1 o  196.667   3.5717  387.706   14.044 7.538651 7.143430 
1 1 1   -9   23    2 o  281.557   3.4574  791.440   19.405 -13.75119 6.914901 
1 1 1   -9   23    3 o  125.811   4.5881  159.096   11.506 0.8342209 9.176173 
1 1 1   -9   23    4 o  213.844   3.4387  458.504   14.703 -0.2683105 6.877379 
1 1 1   -9   23    5 o  327.883   3.7451  1077.80   24.547 7.525665 7.490173 
1 1 1   -9   23    6 o  228.021   3.0056  518.279   12.514 2.798187 6.011128 
1 1 1   -9   23    7 f  213.741   3.3853  460.979   14.379 -15.68338 6.770539 
1 1 1   -9   23    8 o   69.633   8.2990   53.812   10.585 -21.55447 16.59799 
1 1 1   -9   23    9 o   88.736   6.2976   81.440   10.612 -7.214211 12.59527 
1 1 1   -9   23   10 o  214.882   3.4232  459.139   14.499 10.89088 6.846353 
1 1 1   -9   23   11 o   50.247   8.1085   35.508   8.0846 -32.13783 16.21694 
1 1 1   -9   23   12 o  137.248   4.5336  222.605   9.5160 -40.19352 9.067134 
1 1 1   -9   23   13 o  270.690   3.1428  664.629   14.535 48.15543 6.285592 
1 1 1   -9   23   14 o  230.447   3.1133  498.523   12.880 31.78203 6.226618 
1 1 1   -9   23   15 o  119.267   4.5700  148.651   9.6676 -9.543343 9.140062 
1 1 1   -9   23   16 o   83.222   6.3493   70.171   8.8503 -0.3406372 12.69862 
1 1 1   -9   23   17 o   68.076   8.1056   49.314   8.8110 -4.592148 16.21127 
1 1 1   -9   23   18 o   76.080   8.6064   90.485   9.5626 -59.33735 17.21275 
1 1 1   -9   23   19 o  267.070   3.0714  715.116   15.405 -0.8219299 6.142899 
1 1 1   -9   23   20 o  131.250   4.3264  184.303   10.111 -19.33999 8.652761 
1 1 1   -9   23   21 o  124.575   4.6608  162.332   9.8975 -8.911995 9.321524 
1 1 1   -9   23   22 o   80.549   7.6485   72.676   9.7632 -13.98194 15.29703 
1 1 1   -9   23   23 o   49.044   9.6845   28.228   9.9048 -14.18466 19.36893 
1 1 1   -9   23   24 o  136.598   4.3479  188.011   10.610 0.1841888 8.695855 
1 1 1   -9   23   25 o   81.486   8.2631   81.715   10.359 -29.27452 16.52616 
1 1 1   -9   23   26 o   92.227   6.5963   91.968   10.382 -10.86182 13.19252 
1 1 1   -9   23   27 o   49.618   16.679   25.909   19.574      ?      ? 
1 1 1   -9   23   28 f  134.771   4.5469  186.269   11.247 -5.718094 9.093740 
1 1 1   -9   23   29 o   35.269   9.9756   8.2236   10.511 0.2925339 19.95115 
1 1 1   -9   24    1 o  279.395   3.4659  782.198   19.347 -7.429901 6.931798 
1 1 1   -9   24    2 o  449.595   4.6329  2033.53   41.658 -0.3259277 9.265754 
1 1 1   -9   24    3 o  344.685   3.8459  1193.13   26.510 0.7214355E-01 7.691734 
1 1 1   -9   24    4 o  457.036   4.6910  2102.10   42.875 -3.083160 9.381916 
1 1 1   -9   24    5 o  258.179   3.4148  667.793   17.618 -10.21852 6.829630 
1 1 1   -9   24    6 o  105.316   4.5719  115.003   8.6514 -7.917534 9.143888 
1 1 1   -9   24    7 o  188.864   3.0920  352.954   10.624 5.777908 6.183912 
1 1 1   -9   24    8 o  422.109   4.3954  1781.72   36.909 24.37424 8.790895 
1 1 1   -9   24    9 o  122.566   5.4325  168.324   11.895 -54.67091 10.86504 
1 1 1   -9   24   10 o  109.965   5.4854  124.313   11.744 -11.42583 10.97081 
1 1 1   -9   24   11 o  206.329   3.5566  410.417   14.341 35.92921 7.113140 
1 1 1   -9   24   12 o  167.909   3.4083  264.846   9.7647 19.66560 6.816593 
1 1 1   -9   24   13 o  125.613   4.7773  187.209   9.3576 -39.01782 9.554551 
1 1 1   -9   24   14 f  213.078   3.0738  446.550   11.427 8.299911 6.147518 
1 1 1   -9   24   15 f  116.766   4.6810  141.564   8.7903 -6.407860 9.362099 
1 1 1   -9   24   16 o  148.073   3.9463  232.551   9.6664 -14.61775 7.892620 
1 1 1   -9   24   17 o  257.023   5.3576  663.740   27.541      ?      ? 
1 1 1   -9   24   18 o  323.630   5.4895  1051.08   35.532      ?      ? 
1 1 1   -9   24   19 o   29.067   8.1660  -2.6481   9.3945 -16.07777 16.33200 
1 1 1   -9   24   20 o  119.528   4.7093  148.186   9.5785 -6.290207 9.418596 
1 1 1   -9   24   21 o  146.967   4.0311  213.867   10.276 4.370331 8.062205 
1 1 1   -9   24   22 o  105.348   5.9131  124.687   10.100 -20.36795 11.82623 
1 1 1   -9   24   23 o  138.751   4.5572  205.731   10.751 -16.50005 9.114413 
1 1 1   -9   24   24 o  104.305   5.8816  114.980   10.300 -8.230453 11.76324 
1 1 1   -9   24   25 o  192.461   3.5519  366.058   12.023 7.468658 7.103709 
1 1 1   -9   24   26 o   80.945   7.2224   69.527   10.066 -6.009369 14.44481 
1 1 1   -9   24   27 o   91.250   6.1097   78.024   10.121 16.64587 12.21950 
1 1 1   -9   24   28 o   35.903   10.516   5.1170   11.633 9.459110 21.03239 
1 1 1   -9   25    1 o   82.518   6.8566   69.155   11.303 2.616814 13.71321 
1 1 1   -9   25    2 o  128.446   4.5243  166.085   11.620 2.589676 9.048694 
1 1 1   -9   25    3 o  309.634   3.6029  962.880   22.311 -0.5263672 7.205776 
1 1 1   -9   25    4 o  258.735   3.4136  672.081   17.660 4.029938 6.827235 
1 1 1   -9   25    5 o  142.881   5.9270  205.661   16.937      ?      ? 
1 1 1   -9   25    6 f  266.051   4.9445  711.047   26.310      ?      ? 
1 1 1   -9   25    7 o  329.243   3.2488  1115.24   20.802 -51.92242 6.497653 
1 1 1   -9   25    8 o  345.281   3.8535  1107.98   25.296 78.97946 7.706931 
1 1 1   -9   25    9 o  244.206   3.4721  572.497   16.495 42.74800 6.944109 
1 1 1   -9   25   10 o  421.344   4.4068  1786.93   37.099 6.507843 8.813641 
1 1 1   -9   25   11 o  164.800   3.7725  277.930   12.074 -12.82275 7.544988 
1 1 1   -9   25   12 o  214.126   2.9748  464.274   11.062 -4.344711 5.949633 
1 1 1   -9   25   13 o  155.330   3.4238  241.107   8.8828 1.156693 6.847680 
1 1 1   -9   25   14 f  189.884   3.2564  365.607   10.486 -3.525574 6.512750 
1 1 1   -9   25   16 o  315.970   5.5735  1001.26   35.221      ?      ? 
1 1 1   -9   25   17 f  123.694   8.0699  155.697   19.964      ?      ? 
1 1 1   -9   25   18 o  142.923   4.1861  223.355   9.9621 -23.40550 8.372147 
1 1 1   -9   25   19 o   25.773   8.1781  -6.1609   9.0780 -4.142509 16.35612 
1 1 1   -9   25   20 o   78.787   7.7925   66.933   9.5471 -7.623055 15.58494 
1 1 1   -9   25   21 o  127.010   4.6665  162.696   10.056 0.5620651 9.333072 
1 1 1   -9   25   22 o   66.533   9.1665   51.701   9.9178 -14.64676 18.33306 
1 1 1   -9   25   23 o  160.486   4.0667  260.017   11.190 -0.6642303 8.133366 
1 1 1   -9   25   24 o   53.644   10.186   31.761   10.092 -2.185547 20.37108 
1 1 1   -9   25   25 o   30.191   9.4501  -3.7804   9.8258 12.59909 18.90015 
1 1 1   -9   25   26 o   81.964   7.1722   66.756   10.214 4.276833 14.34447 
1 1 1   -9   25   27 o   65.732   8.9692   56.971   10.236 -34.14092 17.93848 
1 1 1   -9   26    1 o  144.773   5.2024  198.760   12.839 -108.9299 10.40480 
1 1 1   -9   26    2 o  270.690   3.5097  733.737   18.987 13.97903 7.019317 
1 1 1   -9   26    3 o  315.171   3.6652  967.574   22.701 -45.54718 7.330380 
1 1 1   -9   26    4 o  228.891   3.4195  516.853   15.533 -29.17555 6.838917 
1 1 1   -9   26    5 o  143.444   3.5738  189.912   9.4757 28.65889 7.147607 
1 1 1   -9   26    6 o  147.783   3.4664  214.508   9.4841 7.920990 6.932760 
1 1 1   -9   26    7 o  104.907   5.0434  127.498   8.7785 -31.90060 10.08677 
1 1 1   -9   26    8 o  145.834   3.5320  218.900   9.0925 -7.841522 7.064020 
1 1 1   -9   26    9 o  214.843   3.2669  455.491   13.735 16.91841 6.533783 
1 1 1   -9   26   10 o   62.922   8.6843   40.155   9.9664 8.202858 17.36870 
1 1 1   -9   26   11 o  104.433   5.1518  103.017   10.180 20.34794 10.30365 
1 1 1   -9   26   12 o   94.044   6.0597   96.946   10.460 -20.77334 12.11934 
1 1 1   -9   26   13 o  132.871   4.3607  201.427   9.3786 -33.26562 8.721477 
1 1 1   -9   26   14 o  325.854   5.5419  1064.86   36.117      ?      ? 
1 1 1   -9   26   15 o   35.582   9.1740   10.319   9.5641 -12.68806 18.34809 
1 1 1   -9   26   16 o  193.968   3.4332  383.641   11.232 -5.440216 6.866466 
1 1 1   -9   26   17 o  103.178   10.141  109.755   20.927      ?      ? 
1 1 1   -9   26   18 o  124.897   4.5511  139.416   9.5042 25.25143 9.102291 
1 1 1   -9   26   19 o  167.431   3.8502  288.981   10.843 -7.602234 7.700360 
1 1 1   -9   26   20 o   96.436   6.0619   95.020   9.6768 -1.364601 12.12389 
1 1 1   -9   26   21 o  169.797   3.8497  295.613   11.180 -6.127960 7.699388 
1 1 1   -9   26   22 o   54.270   10.372   30.973   10.142 3.091606 20.74318 
1 1 1   -9   26   23 o  182.257   3.8046  331.828   11.880 2.882721 7.609190 
1 1 1   -9   26   24 o   43.437   9.5709   21.580   10.002 -16.33869 19.14188 
1 1 1   -9   26   25 o   97.283   5.8605   94.229   10.164 3.882835 11.72095 
1 1 1   -9   26   26 o   95.654   7.2314  110.787   10.652 -28.16276 14.46275 
1 1 1   -9   27    1 o  181.091   3.5780  328.663   12.927 -10.02649 7.156056 
1 1 1   -9   27    2 o  119.304   4.7459  143.849   11.313 1.625092 9.491727 
1 1 1   -9   27    3 o   50.824   9.9552   27.440   10.728 13.48390 19.91040 
1 1 1   -9   27    4 o   69.640   7.9003   50.094   10.738 9.154892 15.80052 
1 1 1   -9   27    5 o   90.385   5.1068   81.683   8.0295 1.439339 10.21352 
1 1 1   -9   27    6 o  120.168   3.9921  140.023   8.3653 8.565933 7.984209 
1 1 1   -9   27    7 o  159.313   3.1973  252.365   9.1610 3.296875 6.394592 
1 1 1   -9   27    8 o  185.562   3.0303  343.274   10.062 2.584473 6.060512 
1 1 1   -9   27    9 o  118.159   4.3497  142.657   8.9399 -2.700294 8.699355 
1 1 1   -9   27   10 o   19.876   7.0498 -36.4820   10.388 5.806221 14.09951 
1 1 1   -9   27   11 o  226.946   3.4438  513.048   15.381 7.595840 6.887665 
1 1 1   -9   27   12 o  121.250   4.9865  139.292   11.611 47.59316 9.972947 
1 1 1   -9   27   13 o   51.007   8.1254   36.038   8.8535 -35.47440 16.25088 
1 1 1   -9   27   14 o   62.629   8.8287   53.185   8.7930 -30.53141 17.65739 
1 1 1   -9   27   15 o  231.164   3.1740  526.079   12.552 8.852737 6.347999 
1 1 1   -9   27   16 o  216.486   3.2900  464.645   11.978 4.733582 6.580087 
1 1 1   -9   27   17 f  188.616   3.5316  346.966   11.012 9.632584 7.063103 
1 1 1   -9   27   18 o  155.311   3.9684  247.707   10.101 -5.495544 7.936718 
1 1 1   -9   27   19 o   50.020   10.021   26.196   9.1866 2.001930 20.04291 
1 1 1   -9   27   20 o  118.933   5.0457  138.119   9.8939 7.098946 10.09144 
1 1 1   -9   27   21 o  139.438   4.6134  194.994   10.469 1.671494 9.226757 
1 1 1   -9   27   22 o   74.687   8.5176   62.198   9.8806 -10.10566 17.03513 
1 1 1   -9   27   23 o  105.620   5.8379  119.430   10.220 -10.96719 11.67588 
1 1 1   -9   27   24 o   85.672   6.2909   72.337   9.8214 6.528053 12.58184 
1 1 1   -9   27   25 o   76.380   8.2234   83.775   10.222 -31.23122 16.44683 
1 1 1   -9   28    1 o  269.723   2.9044  735.123   14.138 4.728760 5.808870 
1 1 1   -9   28    2 o  127.956   4.2221  164.094   10.730 -5.946365 8.444297 
1 1 1   -9   28    3 o  134.748   4.0866  183.458   10.929 1.964813 8.173157 
1 1 1   -9   28    4 o  152.497   3.8708  236.329   11.708 8.232697 7.741507 
1 1 1   -9   28    5 o  170.915   3.0495  302.733   9.8235 -15.68744 6.099002 
1 1 1   -9   28    6 o   48.946   14.507   26.000   15.201      ?      ? 
1 1 1   -9   28    7 o   21.084   10.466 -39.9200   16.823      ?      ? 
1 1 1   -9   28    8 o  203.473   3.0735  356.665   11.076 60.83023 6.147080 
1 1 1   -9   28    9 o  274.310   5.0409  754.861   27.655      ?      ? 
1 1 1   -9   28   10 o   89.979   5.7077   76.359   9.3415 14.87811 11.41534 
1 1 1   -9   28   11 o   61.529   9.2695   40.093   10.610 3.559032 18.53901 
1 1 1   -9   28   12 o  142.675   4.2396  207.812   11.487 -5.183228 8.479265 
1 1 1   -9   28   13 o   29.279   9.2213  -3.7437   10.159 6.139786 18.44257 
1 1 1   -9   28   14 o  143.397   3.8786  193.273   8.9397 15.33165 7.757122 
1 1 1   -9   28   15 o   74.340   8.0291   60.986   8.5780 -8.944870 16.05825 
1 1 1   -9   28   16 o   76.849   8.8443   80.300   8.8951 -34.01551 17.68866 
1 1 1   -9   28   17 o   95.624   6.1181   92.236   9.1108 0.6470261 12.23612 
1 1 1   -9   28   18 o  118.976   5.0380  145.758   9.5618 -3.923630 10.07600 
1 1 1   -9   28   19 o  128.122   4.6463  162.401   9.9659 4.798393 9.292528 
1 1 1   -9   28   20 o  187.771   3.6439  352.483   11.530 2.313995 7.287800 
1 1 1   -9   28   21 o  183.261   4.2297  343.774   15.037 -10.18509 8.459345 
1 1 1   -9   28   22 o  116.697   5.0001  136.881   9.9692 0.9512787 10.00014 
1 1 1   -9   28   23 o   23.434   8.0084 -23.5663   9.6633 13.25050 16.01687 
1 1 1   -9   29    1 o  159.291   6.5575  254.730   20.891      ?      ? 
1 1 1   -9   29    2 o  314.496   3.7203  986.607   23.316 37.22604 7.440573 
1 1 1   -9   29    3 f  201.712   3.5855  410.367   14.240 7.292740 7.171092 
1 1 1   -9   29    4 o  190.141   4.6149  362.546   17.549      ?      ? 
1 1 1   -9   29    5 o  136.258   5.6167  186.799   15.306      ?      ? 
1 1 1   -9   29    6 o  167.150   3.1060  293.237   9.9180 -35.41194 6.211979 
1 1 1   -9   29    7 o  206.444   2.8424  438.534   11.144 -17.60057 5.684748 
1 1 1   -9   29    8 o   88.675   5.9588   91.537   8.7296 -26.82417 11.91762 
1 1 1   -9   29    9 o  140.860   3.7841  203.662   9.3758 -5.895020 7.568166 
1 1 1   -9   29   10 o  184.501   3.2084  341.217   10.602 0.9934082 6.416898 
1 1 1   -9   29   11 o  122.948   4.3469  154.415   9.2573 -3.757401 8.693837 
1 1 1   -9   29   12 o  178.538   3.5437  310.060   12.207 20.67920 7.087472 
1 1 1   -9   29   13 o   56.689   8.4577   42.995   10.655 -44.98934 16.91537 
1 1 1   -9   29   14 o  297.535   3.2146  872.194   16.858 12.21231 6.429193 
1 1 1   -9   29   15 f  187.345   3.5716  364.728   10.992 -11.34416 7.143291 
1 1 1   -9   29   16 o  169.740   3.7279  285.771   10.391 4.117142 7.455742 
1 1 1   -9   29   17 o   62.875   9.0158   47.534   8.9787 -16.35526 18.03162 
1 1 1   -9   29   18 o   96.507   6.1174   99.152   9.4741 -7.797028 12.23483 
1 1 1   -9   29   19 o   52.565   9.8936   30.094   9.3886 -1.950169 19.78720 
1 1 1   -9   29   20 o   45.046   9.5902   23.655   9.4598 -13.59565 19.18048 
1 1 1   -9   29   21 o   85.283   6.2377   64.926   9.5494 23.67319 12.47539 
1 1 1   -9   29   22 o   53.494   8.1073   39.146   8.6906 -34.12443 16.21464 
1 1 1   -9   30    1 o  196.350   5.3740  388.740   21.104      ?      ? 
1 1 1   -9   30    2 o  104.602   4.9036  109.794   9.0546 -1.670761 9.807160 
1 1 1   -9   30    3 o  195.351   3.3849  386.618   12.975 6.840942 6.769845 
1 1 1   -9   30    4 o  120.973   3.7306  153.142   8.3241 -13.13996 7.461156 
1 1 1   -9   30    5 o   82.127   5.2629   61.512   8.0155 22.21555 10.52574 
1 1 1   -9   30    6 o  122.227   3.8859  149.680   8.6366 1.457710 7.771834 
1 1 1   -9   30    7 f   90.894   5.2899   88.220   8.2563 -10.73067 10.57976 
1 1 1   -9   30    8 o  210.589   2.9319  441.986   11.341 3.311035 5.863861 
1 1 1   -9   30    9 o   95.008   5.3349   85.827   9.8150 24.78719 10.66982 
1 1 1   -9   30   10 o  105.575   5.3330  118.858   10.366 -15.04491 10.66604 
1 1 1   -9   30   11 o   48.156   9.3626   27.809   10.298 -22.66325 18.72516 
1 1 1   -9   30   12 o  269.583   3.4901  728.751   18.533 5.632904 6.980125 
1 1 1   -9   30   13 o   54.976   9.3312   37.508   10.906 -29.02657 18.66238 
1 1 1   -9   30   14 o   83.232   7.1842   71.181   11.296 0.1071701 14.36847 
1 1 1   -9   30   15 o  227.864   3.1945  517.756   12.531 3.482742 6.389060 
1 1 1   -9   30   16 o  130.371   4.5689  179.830   9.4835 -10.63462 9.137746 
1 1 1   -9   30   17 o   74.796   8.0566   62.810   9.0823 -11.19154 16.11324 
1 1 1   -9   30   18 o  162.340   3.7852  267.680   10.497 -2.925827 7.570473 
1 1 1   -9   30   19 o  137.480   4.0820  184.279   9.8141 8.815567 8.164004 
1 1 1   -9   30   20 o   30.204   9.4950  -3.9649   11.512 -1.639545 18.98998 
1 1 1   -9   31    1 o  221.367   5.1896  492.632   22.976      ?      ? 
1 1 1   -9   31    2 o  255.572   5.0297  656.471   25.709      ?      ? 
1 1 1   -9   31    3 o  195.499   3.4124  387.449   13.057 9.166397 6.824787 
1 1 1   -9   31    4 o  159.486   3.0263  254.595   9.1334 1.486633 6.052522 
1 1 1   -9   31    5 o  219.515   2.8269  476.266   11.520 9.167282 5.653765 
1 1 1   -9   31    6 o   86.839   5.4829   79.367   8.2918 -6.468979 10.96585 
1 1 1   -9   31    7 o   71.319   7.4281   60.065   8.2733 -19.38478 14.85612 
1 1 1   -9   31    8 f   45.919   8.9617   24.763   8.3562 -12.70325 17.92337 
1 1 1   -9   31    9 o   99.266   4.8845   90.481   8.5644 19.11572 9.768927 
1 1 1   -9   31   10 o  356.215   3.8842  1272.23   27.456 18.10645 7.768303 
1 1 1   -9   31   11 o  104.810   5.7851  119.682   10.928 -19.96402 11.57016 
1 1 1   -9   31   12 o  103.876   5.5889  108.020   10.932 4.957153 11.17776 
1 1 1   -9   31   13 o   43.526   10.357   20.063   11.060 -10.04475 20.71383 
1 1 1   -9   31   14 o   85.277   6.9517   74.111   11.313 2.739830 13.90345 
1 1 1   -9   31   15 o  153.147   3.9673  255.446   10.045 -23.34500 7.934656 
1 1 1   -9   31   16 o  123.176   4.6077  161.677   9.4723 -13.07296 9.215396 
1 1 1   -9   31   17 o  140.555   3.9268  200.581   9.5904 -2.667419 7.853539 
1 1 1   -9   31   18 f   48.963   8.9289   26.300   8.5297 -2.149025 17.85785 
1 1 1   -9   32    1 o  188.409   5.5297  357.957   20.837      ?      ? 
1 1 1   -9   32    2 o  191.108   5.5004  368.298   21.023      ?      ? 
1 1 1   -9   32    3 o  105.764   4.6753  112.564   9.8895      ?      ? 
1 1 1   -9   32    4 o  176.309   2.7151  314.142   9.3370 -5.246170 5.430149 
1 1 1   -9   32    5 o  120.046   3.7064  148.579   8.3536 -8.587402 7.412761 
1 1 1   -9   32    6 o  120.582   3.8752  148.174   8.4246 -3.234337 7.750448 
1 1 1   -9   32    7 o   95.350   4.9471   89.487   8.4909 5.962753 9.894277 
1 1 1   -9   32    8 o  320.416   3.2114  1020.78   18.972 9.124481 6.422857 
1 1 1   -9   32    9 o  102.711   5.2369  111.224   9.0475 -8.013382 10.47385 
1 1 1   -9   32   10 o   74.747   7.5244   56.297   10.481 5.486435 15.04879 
1 1 1   -9   32   11 o  115.276   5.2438  142.110   11.060 -17.09186 10.48762 
1 1 1   -9   32   12 o   76.264   7.5089   59.949   10.762 0.4019928E-01 15.01777 
1 1 1   -9   32   13 o  130.643   4.6016  174.809   11.519 -5.503189 9.203119 
1 1 1   -9   32   14 o   77.648   7.1475   61.655   10.675 0.6161346 14.29501 
1 1 1   -9   32   15 o  158.558   3.8038  252.756   11.809 1.536728 7.607642 
1 1 1   -9   32   16 o   67.148   7.8375   57.670   8.3974 -30.73248 15.67492 
1 1 1   -9   33    1 o   64.420   13.570   45.427   16.935      ?      ? 
1 1 1   -9   33    2 o   81.152   10.702   68.341   17.369      ?      ? 
1 1 1   -9   33    3 o  102.254   5.0359  105.455   10.299      ?      ? 
1 1 1   -9   33    4 o  198.803   3.3201  396.745   13.201      ?      ? 
1 1 1   -9   33    5 o  115.848   3.6239  135.685   8.1567 -1.071068 7.247837 
1 1 1   -9   33    6 o  136.645   3.3916  187.761   8.7528 0.6446686 6.783216 
1 1 1   -9   33    7 o  122.327   3.8913  152.733   8.7674 -3.953865 7.782696 
1 1 1   -9   33    8 o  148.039   3.7587  220.618   10.894 1.205582 7.517325 
1 1 1   -9   33    9 o  120.451   4.6753  149.424   10.800 -7.604179 9.350651 
1 1 1   -9   33   10 o  135.469   4.3596  185.737   11.295 -0.6361847 8.719297 
1 1 1   -9   33   11 o  118.478   4.8051  144.960   10.861 -9.237839 9.610174 
1 1 1   -9   33   12 o  157.630   3.7118  249.700   11.516 1.758118 7.423659 
1 1 1   -9   33   13 o   85.142   5.8938   73.358   9.9100 4.877563 11.78759 
1 1 1   -9   33   14 o  119.058   4.9802  135.917   10.485 80.78058 9.960299 
1 1 1   -9   34    1 o  107.869   8.4534  119.033   18.237      ?      ? 
1 1 1   -9   34    2 o  143.726   4.0204  207.657   11.557      ?      ? 
1 1 1   -9   34    3 o   81.383   6.6466   67.190   10.818      ?      ? 
1 1 1   -9   34    4 o  164.667   3.7220  272.362   12.258      ?      ? 
1 1 1   -9   34    5 o  140.376   3.9815  197.993   11.178      ?      ? 
1 1 1   -9   34    6 o  115.874   3.6833  134.286   8.4115 4.601471 7.366667 
1 1 1   -9   34    7 f  126.668   3.6715  160.320   8.8987 3.037926 7.342978 
1 1 1   -9   34    8 o  175.583   2.9997  308.622   10.061 1.878265 5.999358 
1 1 1   -9   34    9 o  120.260   4.3310  144.850   10.370 13.21631 8.661910 
1 1 1   -9   34   10 o  299.210   3.4674  902.436   20.735 -14.22955 6.934841 
1 1 1   -9   34   11 o  157.654   4.5085  216.159   12.258 71.22586 9.017082 
1 1 1   -9   35    1 o   98.285   9.2707   98.956   18.223      ?      ? 
1 1 1   -9   35    2 o  145.747   4.2149  213.526   12.286      ?      ? 
1 1 1   -9   35    3 o  135.931   4.4643  185.917   12.137      ?      ? 
1 1 1   -9   35    4 o  247.837   3.4834  616.868   17.266      ?      ? 
1 1 1   -9   35    5 o  205.139   3.4947  423.262   14.338      ?      ? 
1 1 1   -9   35    6 o  279.002   2.9337  796.365   15.802 -5.610291 5.867331 
1 1 1   -8    0    5 o  239.139   4.3553  572.649   20.815 -0.000000 0.000000 
1 1 1   -8    0    6 o  122.530   5.6539  151.177   13.792 -0.000000 0.000000 
1 1 1   -8    0    7 o  299.632   4.8335  898.841   28.949 -0.000000 0.000000 
1 1 1   -8    0    8 o  259.763   4.6886  675.654   24.341 -0.000000 0.000000 
1 1 1   -8    0    9 o  294.541   4.9483  868.575   29.131 -0.000000 0.000000 
1 1 1   -8    0   10 o  121.897   6.9307  150.117   16.782 -0.000000 0.000000 
1 1 1   -8    0   11 o  308.055   3.6765  949.523   22.630 -0.000000 0.000000 
1 1 1   -8    0   15 o  124.089   5.7593  160.717   13.714 -0.000000 0.000000 
1 1 1   -8    0   16 o  167.806   4.7556  278.724   15.747 -0.000000 0.000000 
1 1 1   -8    0   17 o  430.531   4.6931  1853.39   40.362 -0.000000 0.000000 
1 1 1   -8    0   18 o  427.139   4.7186  1827.14   40.265 -0.000000 0.000000 
1 1 1   -8    0   20 o   34.885   13.257   4.0447   17.162 -0.000000 0.000000 
1 1 1   -8    0   21 o   46.453   15.654   32.175   16.778 -0.000000 0.000000 
1 1 1   -8    0   23 o  189.246   4.9390  360.473   18.619 -0.000000 0.000000 
1 1 1   -8    0   24 o   89.597   11.680   92.149   17.251 -0.000000 0.000000 
1 1 1   -8    0   25 o  166.849   5.5332  281.526   18.343 -0.000000 0.000000 
1 1 1   -8    0   26 o  166.839   5.2827  280.711   17.535 -0.000000 0.000000 
1 1 1   -8    0   27 o  154.376   5.4003  240.712   16.563 -0.000000 0.000000 
1 1 1   -8    0   28 o   59.893   14.154   47.106   15.114 -0.000000 0.000000 
1 1 1   -8    0   30 o   24.469   11.499 -13.8087   15.914 -0.000000 0.000000 
1 1 1   -8    0   31 o   59.788   12.855   47.305   14.662 -0.000000 0.000000 
1 1 1   -8    0   33 o  130.966   6.3695  173.195   16.312 -0.000000 0.000000 
1 1 1   -8    0   34 o  220.247   4.2965  488.516   18.826 -0.000000 0.000000 
1 1 1   -8    0   35 o   39.010   14.923   22.602   16.156 -0.000000 0.000000 
1 1 1   -8    0   36 o  112.030   7.4610  131.014   16.302 -0.000000 0.000000 
1 1 1   -8    0   37 o   28.062   12.768   3.6956   15.973 -0.000000 0.000000 
1 1 1   -8    0   38 o   80.243   11.295   71.814   15.903 -0.000000 0.000000 
1 1 1   -8    0   39 o   18.970   9.6055 -24.6989   14.797 -0.000000 0.000000 
1 1 1   -8    1    4 o  421.516   6.0581  1779.36   51.072      ?      ? 
1 1 1   -8    1    5 f  467.987   4.6941  2193.50   43.931 4.434235 9.388141 
1 1 1   -8    1    6 o  175.546   3.3556  308.042   11.773 -5.748611 6.711269 
1 1 1   -8    1    7 o  482.809   4.8472  2332.32   46.768 -11.46103 9.694314 
1 1 1   -8    1    8 o  385.655   4.0563  1488.38   31.281 -4.858826 8.112597 
1 1 1   -8    1    9 o  192.379   3.4587  370.269   13.304 -5.856354 6.917361 
1 1 1   -8    1   10 o  271.243   2.9751  741.360   15.268 -6.147644 5.950212 
1 1 1   -8    1   11 o  305.830   2.5832  935.423   15.797 -3.085419 5.166480 
1 1 1   -8    1   12 o  487.620   3.5201  2378.84   34.327 -3.235901 7.040205 
1 1 1   -8    1   13 o  478.264   3.4507  2288.46   33.005 3.039642 6.901368 
1 1 1   -8    1   14 o  439.052   3.2310  1928.38   28.369 -4.188507 6.462081 
1 1 1   -8    1   15 o  407.593   3.1031  1661.97   25.295 -3.703522 6.206248 
1 1 1   -8    1   17 o  459.495   3.4583  2110.16   31.751 11.36557 6.916615 
1 1 1   -8    1   18 o  176.760   3.6294  312.792   12.795 -0.6402893 7.258867 
1 1 1   -8    1   19 o  141.586   6.0074  200.695   17.011      ?      ? 
1 1 1   -8    1   20 o  468.947   4.3352  2194.21   38.159 4.737518 8.670323 
1 1 1   -8    1   21 o  162.853   3.8875  265.573   12.661 1.909973 7.774942 
1 1 1   -8    1   22 o  199.956   3.4077  400.301   13.627 1.293976 6.815443 
1 1 1   -8    1   23 o   60.297   10.093   38.194   12.050 11.63791 20.18651 
1 1 1   -8    1   24 o  301.382   3.0089  909.176   18.133 3.115356 6.017790 
1 1 1   -8    1   25 o   88.885   6.6871   79.716   11.884 2.713799 13.37423 
1 1 1   -8    1   26 o  115.205   5.0399  133.481   11.603 -5.104134 10.07975 
1 1 1   -8    1   27 f  122.676   4.5546  151.494   11.156 -8.000992 9.109288 
1 1 1   -8    1   28 o  154.857   3.6128  240.729   11.189 -0.2007904 7.225672 
1 1 1   -8    1   29 o  188.503   3.4423  356.332   12.975 4.143097 6.884541 
1 1 1   -8    1   30 o   82.417   6.9946   69.060   11.415 16.02255 13.98911 
1 1 1   -8    1   31 o  140.364   3.8825  198.133   10.888 8.845673 7.764968 
1 1 1   -8    1   32 o  128.297   6.2417  166.244   16.016      ?      ? 
1 1 1   -8    1   34 o  161.738   3.6560  263.590   11.825 0.5552673E-01 7.311931 
1 1 1   -8    1   35 o   34.903   9.8188   4.0635   11.280 -13.88499 19.63751 
1 1 1   -8    1   36 o   86.397   6.6404   76.983   11.384 13.12405 13.28083 
1 1 1   -8    1   37 o   34.085   9.8852   4.3812   11.054 7.917933 19.77044 
1 1 1   -8    1   38 o   72.414   7.7902   54.577   11.256 -4.790474 15.58043 
1 1 1   -8    1   39 o   55.791   9.5100   34.183   10.501 3.321236 19.02003 
1 1 1   -8    2    4 o  233.010   4.2807  543.328   19.949      ?      ? 
1 1 1   -8    2    5 o  285.981   3.2840  818.320   18.781 4.297913 6.567953 
1 1 1   -8    2    6 o  471.727   4.7385  2228.53   44.703 3.834717 9.477097 
1 1 1   -8    2    7 o  334.668   3.6564  1119.57   24.455 10.44629 7.312882 
1 1 1   -8    2    8 o  168.936   3.6361  285.646   12.283 -4.274811 7.272273 
1 1 1   -8    2    9 o  453.558   4.6182  2059.13   41.886 4.966766 9.236350 
1 1 1   -8    2   10 o  428.354   3.8225  1845.30   31.090 -6.880127 7.644930 
1 1 1   -8    2   12 o  510.655   3.6552  2609.15   37.330 2.016663 7.310462 
1 1 1   -8    2   13 o  204.383   3.7030  417.858   15.136      ?      ? 
1 1 1   -8    2   15 f  259.143   3.7847  671.785   19.616      ?      ? 
1 1 1   -8    2   17 o  215.402   3.0857  464.627   13.280 -9.351013 6.171327 
1 1 1   -8    2   18 o  131.532   6.2202  173.234   16.363      ?      ? 
1 1 1   -8    2   19 o  318.730   4.1559  1016.44   26.492      ?      ? 
1 1 1   -8    2   20 o  513.792   5.3434  2642.79   54.908      ?      ? 
1 1 1   -8    2   21 o  177.059   4.3945  311.478   14.921 -4.931747 8.789064 
1 1 1   -8    2   22 f   88.843   6.8014   79.376   12.049 8.877670 13.60282 
1 1 1   -8    2   23 o  121.074   5.1537  146.626   12.460 8.286163 10.30730 
1 1 1   -8    2   24 o  305.405   3.0232  933.711   18.450 1.118774 6.046382 
1 1 1   -8    2   25 o  175.317   3.6192  308.637   12.668 -5.680695 7.238385 
1 1 1   -8    2   26 o  140.089   4.1597  196.895   11.640 0.7666473 8.319492 
1 1 1   -8    2   27 o  191.588   3.1777  368.187   12.169 -2.597260 6.355469 
1 1 1   -8    2   28 o  113.383   4.7113  129.597   10.666 -3.944344 9.422690 
1 1 1   -8    2   29 o  142.254   5.7924  203.114   16.480      ?      ? 
1 1 1   -8    2   31 o   49.023   9.3643   25.721   10.056 -20.70327 18.72868 
1 1 1   -8    2   32 o   76.060   7.5794   61.170   10.904 -20.70457 15.15872 
1 1 1   -8    2   33 o  157.129   5.3924  248.939   16.946      ?      ? 
1 1 1   -8    2   34 o  167.692   3.5234  283.665   11.791 -6.387955 7.046848 
1 1 1   -8    2   35 o   77.301   7.3081   62.212   11.260 -6.047493 14.61623 
1 1 1   -8    2   36 o   71.824   7.7753   53.555   11.165 -0.8062820 15.55056 
1 1 1   -8    2   37 o   36.987   10.148   10.061   10.824 5.535244 20.29538 
1 1 1   -8    2   38 o  109.086   5.2413  121.334   11.401 -8.585976 10.48263 
1 1 1   -8    2   39 o   35.778   9.8873   9.1923   10.312 -3.263199 19.77456 
1 1 1   -8    3    4 o  481.296   6.7909  2320.53   65.369      ?      ? 
1 1 1   -8    3    5 o  362.730   5.3697  1317.09   38.955      ?      ? 
1 1 1   -8    3    6 o  184.981   3.1965  342.400   11.825 0.7785492 6.393053 
1 1 1   -8    3    7 o  366.780   3.8700  1346.33   28.387 -4.510681 7.740065 
1 1 1   -8    3    8 o  117.416   4.5501  138.071   10.675 -0.8990860 9.100254 
1 1 1   -8    3    9 o  204.033   3.3681  416.425   13.741 -5.607513 6.736238 
1 1 1   -8    3   10 o   58.087   8.4596   39.382   9.0979 -23.22562 16.91915 
1 1 1   -8    3   11 o  426.288   3.8498  1822.10   30.982 -2.680878 7.699670 
1 1 1   -8    3   12 o  347.923   2.8139  1210.64   19.575 3.426056 5.627733 
1 1 1   -8    3   14 o  467.955   3.4086  2191.08   31.902 0.3039551 6.817279 
1 1 1   -8    3   15 o  324.986   2.8022  1056.43   18.212 -4.004333 5.604444 
1 1 1   -8    3   16 o  420.240   4.6132  1766.97   38.773      ?      ? 
1 1 1   -8    3   17 o  234.747   2.9556  549.907   13.856 10.53223 5.911285 
1 1 1   -8    3   18 o  305.147   2.9147  930.308   17.769 9.408142 5.829308 
1 1 1   -8    3   19 o  191.879   4.1157  366.725   15.016 3.021362 8.231487 
1 1 1   -8    3   20 o  147.698   6.0972  218.473   18.011      ?      ? 
1 1 1   -8    3   21 o  473.458   3.5685  2243.62   33.785 6.908997 7.137097 
1 1 1   -8    3   22 f  228.299   3.1726  521.776   14.486 -1.785065 6.345249 
1 1 1   -8    3   23 o  164.863   3.9520  272.319   13.031 -0.1108551 7.904045 
1 1 1   -8    3   24 o  196.350   3.5029  384.117   13.710 21.84526 7.005766 
1 1 1   -8    3   25 o  160.328   3.8752  258.220   12.406 -5.912079 7.750344 
1 1 1   -8    3   26 o  112.944   5.0362  128.736   11.331 -9.668785 10.07241 
1 1 1   -8    3   27 o  105.203   5.1590  111.945   10.789 -13.30701 10.31807 
1 1 1   -8    3   28 o  162.954   3.4931  266.870   11.369 -6.338394 6.986207 
1 1 1   -8    3   29 o   75.990   10.250   58.258   15.578      ?      ? 
1 1 1   -8    3   30 o   36.482   10.110   8.2690   10.912 8.143539 20.22054 
1 1 1   -8    3   31 o   31.833   9.2976   2.5104   9.9879 -6.186628 18.59524 
1 1 1   -8    3   33 o  211.343   3.0833  449.170   12.989 -0.3535309 6.166536 
1 1 1   -8    3   34 o   71.740   7.5385   53.320   10.675 -3.747276 15.07702 
1 1 1   -8    3   35 o   53.221   10.033   31.013   10.944 10.84967 20.06512 
1 1 1   -8    3   36 o   37.306   10.046   10.093   10.868 -9.490765 20.09234 
1 1 1   -8    3   37 o   27.996   8.9261  -7.6994   10.779 6.167370 17.85211 
1 1 1   -8    3   38 o  112.947   5.0438  129.484   11.391 0.4835815 10.08757 
1 1 1   -8    3   39 o   46.374   12.100   20.197   14.710 8.995220 24.19958 
1 1 1   -8    4    3 o  168.323   4.4454  283.539   14.965      ?      ? 
1 1 1   -8    4    4 o  448.275   6.3754  2012.47   57.159      ?      ? 
1 1 1   -8    4    5 o  255.683   4.4739  654.184   22.878      ?      ? 
1 1 1   -8    4    6 o  275.345   3.2691  757.399   17.986 10.88721 6.538269 
1 1 1   -8    4    7 o   85.698   6.1681   75.987   10.158 -26.09138 12.33619 
1 1 1   -8    4    8 o  430.613   4.4050  1856.27   37.937 -0.4097290 8.810065 
1 1 1   -8    4    9 o  594.654   5.0717  3561.25   57.355 -11.43689 10.14331 
1 1 1   -8    4   10 o  494.170   4.3177  2448.91   40.316 -2.985474 8.635497 
1 1 1   -8    4   11 o  124.724   7.3943  155.753   18.445      ?      ? 
1 1 1   -8    4   12 o  302.325   2.6782  913.835   16.183 3.985138 5.356486 
1 1 1   -8    4   13 o  403.520   3.0438  1628.63   24.561 -5.988953 6.087573 
1 1 1   -8    4   14 o  506.442   3.6505  2565.58   36.964 7.334503 7.300963 
1 1 1   -8    4   15 o  284.899   3.9090  811.980   22.273      ?      ? 
1 1 1   -8    4   16 o  548.065   3.9507  3005.22   43.294 6.834229 7.901326 
1 1 1   -8    4   17 o  215.240   4.4801  463.528   19.286      ?      ? 
1 1 1   -8    4   18 o  354.029   3.0153  1252.44   21.331 10.74347 6.030626 
1 1 1   -8    4   19 o  478.314   3.5791  2288.93   34.229 7.321777 7.158223 
1 1 1   -8    4   20 o  263.252   4.2397  693.536   22.322      ?      ? 
1 1 1   -8    4   21 o   36.191   10.333   3.8223   12.014 9.682066 20.66669 
1 1 1   -8    4   22 o  209.883   3.3006  441.081   13.854 -0.8321075 6.601119 
1 1 1   -8    4   23 o  246.476   3.1265  608.239   15.412 -0.4915314 6.252936 
1 1 1   -8    4   24 o  240.618   3.1458  579.874   15.138 -1.913040 6.291529 
1 1 1   -8    4   25 o  148.939   4.0272  222.571   11.992 -4.598099 8.054345 
1 1 1   -8    4   26 o  137.785   4.1259  190.648   11.365 2.997726 8.251837 
1 1 1   -8    4   27 o  219.822   2.9737  484.465   13.071 0.5083466 5.947465 
1 1 1   -8    4   28 o  174.170   3.3713  304.238   11.739 -5.134384 6.742552 
1 1 1   -8    4   30 o  163.155   3.5374  267.805   11.541 4.456696 7.074757 
1 1 1   -8    4   31 o   80.688   6.4023   65.858   10.304 7.263542 12.80469 
1 1 1   -8    4   33 o  147.335   3.8663  218.241   11.360 5.468140 7.732689 
1 1 1   -8    4   34 o   57.577   9.4200   35.925   10.589 -2.363918 18.83998 
1 1 1   -8    4   35 o  189.470   3.3183  362.428   12.504 -4.072510 6.636650 
1 1 1   -8    4   36 o   37.687   10.202   11.224   10.786 -2.227150 20.40446 
1 1 1   -8    4   37 o   48.380   9.6783   22.476   10.917 28.59556 19.35653 
1 1 1   -8    4   38 o   52.680   9.6709   28.132   11.132 28.99738 19.34182 
1 1 1   -8    4   39 o   50.664   12.155   28.065   13.958 10.79618 24.30919 
1 1 1   -8    5    3 o  212.456   4.2508  451.666   18.062      ?      ? 
1 1 1   -8    5    4 o  454.984   6.4497  2073.03   58.690      ?      ? 
1 1 1   -8    5    5 o  327.872   5.0286  1075.87   32.975      ?      ? 
1 1 1   -8    5    6 o  561.731   5.5531  3161.24   62.387 -0.7523804 11.10620 
1 1 1   -8    5    7 o  335.200   3.6798  1124.40   24.668 1.157562 7.359508 
1 1 1   -8    5    8 o  271.671   3.3844  738.019   18.383 -7.152985 6.768883 
1 1 1   -8    5    9 o  438.461   3.8928  1929.42   32.263 -3.924438 7.785550 
1 1 1   -8    5   10 o   42.291   15.430   14.503   16.981      ?      ? 
1 1 1   -8    5   11 o  276.057   3.1443  763.449   16.268 -1.126953 6.288570 
1 1 1   -8    5   12 o  546.904   4.7427  3005.70   49.183 -6.879272 9.485323 
1 1 1   -8    5   14 o  310.438   2.7473  963.636   17.051 4.846436 5.494529 
1 1 1   -8    5   15 o  359.027   4.2088  1289.58   30.221      ?      ? 
1 1 1   -8    5   16 o  341.948   2.9571  1169.89   20.221 -2.066925 5.914267 
1 1 1   -8    5   17 o  275.871   2.8943  760.633   15.953 5.934448 5.788695 
1 1 1   -8    5   18 o  223.103   3.8300  505.941   15.878 -9.673569 7.660023 
1 1 1   -8    5   19 o  262.882   3.0001  691.657   15.765 -1.734009 6.000243 
1 1 1   -8    5   20 o  343.294   3.0316  1179.30   20.812 2.549408 6.063198 
1 1 1   -8    5   21 o  292.775   2.9803  857.640   17.448 -7.166046 5.960569 
1 1 1   -8    5   22 o   29.287   9.3765  -9.7951   11.873 2.639530 18.75292 
1 1 1   -8    5   23 o  179.211   3.7428  322.106   13.399 -7.166000 7.485616 
1 1 1   -8    5   24 o  291.103   2.9966  848.567   17.445 3.598602 5.993130 
1 1 1   -8    5   25 o  117.870   4.9254  139.645   11.605 3.587570 9.850779 
1 1 1   -8    5   26 o  157.266   3.6927  248.125   11.613 1.299332 7.385325 
1 1 1   -8    5   27 o  107.296   5.0606  116.094   10.849 4.996613 10.12122 
1 1 1   -8    5   28 o   96.455   5.6755   94.227   10.932 -6.305763 11.35102 
1 1 1   -8    5   29 o  206.644   4.5471  427.536   18.793      ?      ? 
1 1 1   -8    5   30 f   83.141   6.3948   71.249   10.461 -15.26062 12.78955 
1 1 1   -8    5   31 o   73.711   7.2134   56.408   10.476 -9.198143 14.42681 
1 1 1   -8    5   33 o   30.661   9.2907  -0.4760   10.401 -5.279093 18.58139 
1 1 1   -8    5   34 o   82.335   6.4839   69.261   10.627 -6.032295 12.96781 
1 1 1   -8    5   35 o   75.072   7.3670   58.180   10.953 13.75552 14.73400 
1 1 1   -8    5   36 o   35.627   9.9136   7.6647   10.801 -7.844528 19.82723 
1 1 1   -8    5   37 o   36.139   10.090   7.7247   10.950 8.763945 20.18094 
1 1 1   -8    5   38 o  102.037   5.5996  106.838   11.281 -8.121414 11.19929 
1 1 1   -8    5   39 o   88.134   9.5153  110.991   14.712 -14.84727 19.03052 
1 1 1   -8    6    3 o  283.837   4.5990  806.194   26.107      ?      ? 
1 1 1   -8    6    4 o  258.432   4.4560  668.287   23.032      ?      ? 
1 1 1   -8    6    5 o  482.231   6.8188  2328.67   65.765      ?      ? 
1 1 1   -8    6    6 o  354.950   3.8161  1260.00   27.077 8.174042 7.632115 
1 1 1   -8    6    7 o  762.147   7.4460  5825.07  113.485 7.348999 14.89199 
1 1 1   -8    6    8 o  250.304   3.4100  626.885   17.070 -0.5900574 6.820029 
1 1 1   -8    6    9 o  626.436   5.3570  3919.43   63.038 4.492371 10.71406 
1 1 1   -8    6   10 o  271.220   5.0594  736.024   27.444      ?      ? 
1 1 1   -8    6   11 o  537.375   4.6591  2902.97   47.520 -7.585999 9.318190 
1 1 1   -8    6   12 o   78.764   8.1497   69.722   10.917 -20.98360 16.29933 
1 1 1   -8    6   13 o  987.465   8.3716  9692.72  153.732 23.78967 16.74318 
1 1 1   -8    6   14 o  369.573   4.2072  1366.43   31.097      ?      ? 
1 1 1   -8    6   15 o  785.278   5.4555  6174.32   85.662 9.551025 10.91091 
1 1 1   -8    6   16 o  232.120   4.1314  539.017   19.179      ?      ? 
1 1 1   -8    6   17 o  159.121   5.1348  253.425   16.341      ?      ? 
1 1 1   -8    6   18 o  549.825   3.9647  3025.31   43.586 5.801941 7.929366 
1 1 1   -8    6   19 o  211.278   3.2255  445.718   13.611 9.037033 6.451034 
1 1 1   -8    6   20 o   84.779   7.0071   72.773   11.737 -15.24068 14.01414 
1 1 1   -8    6   21 o  104.551   5.8403  110.010   12.153 12.32964 11.68067 
1 1 1   -8    6   22 o  380.166   3.8505  1445.38   27.648 -1.758606 7.701008 
1 1 1   -8    6   23 o  198.678   3.4420  394.821   13.664 5.383728 6.883989 
1 1 1   -8    6   24 o  204.020   3.2977  417.572   13.437 -11.90904 6.595441 
1 1 1   -8    6   25 o  199.029   3.1985  396.845   12.727 -7.662857 6.396990 
1 1 1   -8    6   26 o   68.854   8.0453   48.879   10.817 -6.501083 16.09069 
1 1 1   -8    6   27 o   90.465   5.9252   82.625   10.712 5.027657 11.85031 
1 1 1   -8    6   28 f   77.533   8.0128   64.570   11.579 -25.54790 16.02553 
1 1 1   -8    6   29 o  146.081   5.9157  213.985   17.284      ?      ? 
1 1 1   -8    6   30 o   99.663   5.2775  100.448   10.514 -2.421890 10.55507 
1 1 1   -8    6   31 o   71.688   7.3824   53.092   10.545 7.657288 14.76482 
1 1 1   -8    6   33 o  106.784   4.9251  115.265   10.494 10.12148 9.850227 
1 1 1   -8    6   34 o  216.476   3.0019  469.424   12.973 6.208633 6.003787 
1 1 1   -8    6   35 o   42.273   10.391   17.473   10.775 -0.8214607 20.78273 
1 1 1   -8    6   36 o   92.366   5.8749   87.229   10.821 -1.299202 11.74979 
1 1 1   -8    6   37 o   92.968   5.9887   88.321   11.134 1.310471 11.97731 
1 1 1   -8    6   38 o   78.819   6.9809   63.694   10.990 -5.119637 13.96186 
1 1 1   -8    7    2 o  401.531   5.8052  1613.95   46.619      ?      ? 
1 1 1   -8    7    3 o  445.194   6.3434  1984.36   56.481      ?      ? 
1 1 1   -8    7    4 o  282.871   4.6358  800.654   26.227      ?      ? 
1 1 1   -8    7    5 o  298.728   4.7851  892.946   28.589      ?      ? 
1 1 1   -8    7    6 o  414.796   4.2701  1721.18   35.409 8.450745 8.540103 
1 1 1   -8    7    7 o  556.158   5.5172  3097.05   61.352 -7.268677 11.03433 
1 1 1   -8    7    8 o  289.496   3.5234  838.595   20.399 3.623962 7.046740 
1 1 1   -8    7    9 o  495.898   4.3252  2470.51   40.694 -6.090729 8.650439 
1 1 1   -8    7   10 o  783.996   6.6411  6155.85   98.117 0.4823608 13.28220 
1 1 1   -8    7   11 o  792.187   6.6984  6319.04  100.785 -12.83716 13.39674 
1 1 1   -8    7   12 o  446.070   4.0633  2002.34   34.324 -7.828979 8.126563 
1 1 1   -8    7   13 o  520.894   7.4865  2717.02   77.993      ?      ? 
1 1 1   -8    7   14 o  407.734   4.4364  1663.29   36.177      ?      ? 
1 1 1   -8    7   15 o  170.695   5.2313  291.561   17.859      ?      ? 
1 1 1   -8    7   16 o  492.922   3.6383  2431.10   35.861 4.109589 7.276699 
1 1 1   -8    7   17 o  192.280   3.3141  370.732   12.710 -6.254791 6.628196 
1 1 1   -8    7   18 o  225.761   3.0537  509.115   13.765 6.372375 6.107395 
1 1 1   -8    7   19 o   95.094   6.1993   91.575   11.663 -14.52824 12.39856 
1 1 1   -8    7   20 o  298.896   2.9337  894.090   17.537 -2.839600 5.867429 
1 1 1   -8    7   21 o  323.002   2.9605  1044.18   19.123 -5.120789 5.920933 
1 1 1   -8    7   22 o  560.009   4.0612  3142.46   45.486 -0.8112183 8.122316 
1 1 1   -8    7   23 o  330.869   3.0282  1096.10   20.034 0.6727600 6.056346 
1 1 1   -8    7   24 o  139.347   4.2948  195.304   11.943 -8.491623 8.589511 
1 1 1   -8    7   25 o  174.707   3.4188  305.909   11.938 8.826141 6.837595 
1 1 1   -8    7   26 f  128.919   4.3052  166.901   11.054 16.04583 8.610368 
1 1 1   -8    7   27 o   92.284   5.8602   85.883   10.796 7.884575 11.72039 
1 1 1   -8    7   28 o   55.210   10.104   32.258   11.963 -23.95306 20.20840 
1 1 1   -8    7   29 o  258.585   3.0469  669.036   15.735 -14.83119 6.093852 
1 1 1   -8    7   30 o   53.727   9.5203   31.096   10.217 1.323677 19.04066 
1 1 1   -8    7   31 o   85.099   6.3789   75.806   10.683 -11.24217 12.75790 
1 1 1   -8    7   32 o   63.863   12.380   43.443   15.248      ?      ? 
1 1 1   -8    7   33 o   62.579   8.4696   41.656   10.286 21.98991 16.93917 
1 1 1   -8    7   34 o   59.968   9.0033   37.774   10.702 18.11611 18.00650 
1 1 1   -8    7   35 o  120.257   4.6708  147.501   11.151 -13.09984 9.341639 
1 1 1   -8    7   36 o  125.467   4.4815  159.722   11.201 -1.988029 8.962949 
1 1 1   -8    7   37 o   38.555   10.311   12.374   10.921 1.930286 20.62284 
1 1 1   -8    7   38 o  152.664   3.7203  234.489   11.323 -16.83849 7.440639 
1 1 1   -8    8    2 o  407.327   5.8709  1660.76   47.827      ?      ? 
1 1 1   -8    8    3 o  492.228   6.9244  2426.07   68.168      ?      ? 
1 1 1   -8    8    4 o  251.866   4.4569  634.704   22.451      ?      ? 
1 1 1   -8    8    5 o  309.568   4.9035  958.929   30.359      ?      ? 
1 1 1   -8    8    6 o  357.009   3.8360  1275.32   27.385 -2.746765 7.672038 
1 1 1   -8    8    7 o  334.955   3.7220  1122.75   24.932 0.8289185 7.444058 
1 1 1   -8    8    8 o  214.245   4.8889  459.258   20.949      ?      ? 
1 1 1   -8    8    9 o  524.929   4.5555  2756.98   45.098 0.4355469 9.111044 
1 1 1   -8    8   10 o  397.880   3.6686  1594.84   27.784 -9.036621 7.337219 
1 1 1   -8    8   11 o  399.222   3.7117  1600.71   27.966 -4.545990 7.423380 
1 1 1   -8    8   12 o  318.331   3.3235  1018.28   20.014 -4.329987 6.647061 
1 1 1   -8    8   13 o  257.671   5.5009  664.440   28.348      ?      ? 
1 1 1   -8    8   14 o  374.130   3.7031  1417.77   26.347 -15.28622 7.406271 
1 1 1   -8    8   16 f  586.067   4.1861  3438.04   49.055 6.247131 8.372160 
1 1 1   -8    8   17 o  366.378   3.0430  1342.52   22.283 4.186371 6.085984 
1 1 1   -8    8   19 o  325.208   2.9315  1058.00   19.060 4.455078 5.862956 
1 1 1   -8    8   20 o  112.064   5.2582  125.944   11.784 -1.769066 10.51644 
1 1 1   -8    8   21 o  144.882   4.2300  210.629   12.241 -6.374451 8.460021 
1 1 1   -8    8   22 o  188.693   3.5278  356.866   13.301 -8.472916 7.055571 
1 1 1   -8    8   23 o   94.121   6.3380   89.373   11.905 -4.501259 12.67595 
1 1 1   -8    8   24 o  242.618   2.9359  589.662   14.244 -4.879700 5.871771 
1 1 1   -8    8   25 o  218.858   2.9851  480.037   13.062 -1.614609 5.970200 
1 1 1   -8    8   26 o  173.147   3.3647  300.515   11.644 4.095367 6.729435 
1 1 1   -8    8   27 f  188.284   3.2490  355.507   12.230 6.903976 6.497964 
1 1 1   -8    8   29 o   20.415   7.1525 -35.5679   11.009 0.4677734 14.30506 
1 1 1   -8    8   30 o  179.959   3.1789  325.324   11.434 -2.321671 6.357884 
1 1 1   -8    8   32 o  106.403   5.2122  115.615   11.021 -6.825829 10.42440 
1 1 1   -8    8   33 o   75.470   6.9805   58.006   10.490 5.481285 13.96100 
1 1 1   -8    8   34 f  139.859   4.0172  198.600   11.172 -5.406616 8.034477 
1 1 1   -8    8   35 o   56.202   9.5538   34.108   10.751 16.76898 19.10757 
1 1 1   -8    8   36 o  138.466   4.1569  195.197   11.422 -8.019623 8.313813 
1 1 1   -8    8   37 o   40.289   10.320   14.756   10.840 6.406292 20.63930 
1 1 1   -8    8   38 o   37.543   9.9375   11.301   10.324 -7.959389 19.87510 
1 1 1   -8    9    1 o  438.853   6.2414  1927.92   54.781      ?      ? 
1 1 1   -8    9    2 o  609.690   8.4524  3724.25  103.067      ?      ? 
1 1 1   -8    9    3 o  309.788   4.8179  960.269   29.851      ?      ? 
1 1 1   -8    9    4 o  179.914   4.5904  323.867   16.518      ?      ? 
1 1 1   -8    9    5 o  370.439   5.5080  1373.29   40.807      ?      ? 
1 1 1   -8    9    6 o  272.200   3.4175  741.220   18.571 -0.7020874 6.835017 
1 1 1   -8    9    7 o  596.329   5.8941  3561.03   70.290 6.699158 11.78828 
1 1 1   -8    9    8 o  410.842   3.7198  1692.35   28.922 -2.654541 7.439651 
1 1 1   -8    9    9 o  416.013   3.7902  1739.92   29.885 -6.240723 7.580420 
1 1 1   -8    9   10 o  362.664   3.4228  1321.80   23.580 -5.219940 6.845654 
1 1 1   -8    9   11 o  476.733   4.2336  2264.50   37.809 5.950592 8.467211 
1 1 1   -8    9   12 o  494.776   4.4033  2445.51   40.925 2.676392 8.806557 
1 1 1   -8    9   13 o  354.634   3.6096  1242.73   23.740 11.62091 7.219223 
1 1 1   -8    9   14 o  484.417   7.1553  2349.47   69.323      ?      ? 
1 1 1   -8    9   15 o  468.024   4.2832  2209.28   37.987 -11.25867 8.566349 
1 1 1   -8    9   17 o  400.226   3.1801  1601.96   25.438 6.356354 6.360198 
1 1 1   -8    9   18 o  112.480   5.1836  126.779   11.653 0.5608292 10.36721 
1 1 1   -8    9   19 o  129.332   4.6262  167.955   11.941 -6.542542 9.252361 
1 1 1   -8    9   20 o  327.550   2.9759  1073.99   19.493 -0.9248962 5.951703 
1 1 1   -8    9   21 o  276.701   2.9688  765.804   16.421 7.527740 5.937645 
1 1 1   -8    9   22 o  266.874   3.0026  712.703   16.022 6.699707 6.005257 
1 1 1   -8    9   23 f  176.091   3.5119  310.984   12.362 -3.260941 7.023790 
1 1 1   -8    9   24 o  307.329   2.8517  945.931   17.527 2.189209 5.703382 
1 1 1   -8    9   25 o   34.198   9.8552   4.5739   10.666 4.076206 19.71042 
1 1 1   -8    9   26 o  238.828   2.8688  571.797   13.698 -0.5509186 5.737569 
1 1 1   -8    9   27 o   91.917   6.1870   86.271   11.287 13.08931 12.37396 
1 1 1   -8    9   28 o  242.559   4.3424  589.119   21.066      ?      ? 
1 1 1   -8    9   29 o  197.699   3.0828  392.897   12.167 -11.99557 6.165506 
1 1 1   -8    9   30 o   40.497   9.9387   14.378   10.666 -15.16425 19.87733 
1 1 1   -8    9   32 o   88.049   6.0877   79.385   10.676 -3.670395 12.17547 
1 1 1   -8    9   33 o   63.685   8.5392   43.090   10.534 -9.270920 17.07841 
1 1 1   -8    9   34 o  112.939   4.9082  130.448   10.990 -9.864479 9.816425 
1 1 1   -8    9   35 o   34.797   9.8536   6.5869   10.695 -6.162596 19.70727 
1 1 1   -8    9   36 o  131.605   4.3781  175.642   11.446 -1.702957 8.756291 
1 1 1   -8    9   37 o  130.378   4.4331  172.005   11.545 -5.105186 8.866237 
1 1 1   -8    9   38 o  131.820   4.0427  177.275   10.653 -5.619110 8.085359 
1 1 1   -8   10    1 o  546.406   7.6245  2990.00   83.321      ?      ? 
1 1 1   -8   10    2 o  685.615   9.4813  4711.25  130.010      ?      ? 
1 1 1   -8   10    3 o  387.060   5.6473  1499.32   43.717      ?      ? 
1 1 1   -8   10    4 o  422.561   6.0870  1787.13   51.443      ?      ? 
1 1 1   -8   10    5 o  222.555   4.4977  495.531   20.020      ?      ? 
1 1 1   -8   10    6 o  434.775   6.2585  1891.92   54.421      ?      ? 
1 1 1   -8   10    7 o  219.246   3.4650  479.062   15.144 -10.11952 6.930002 
1 1 1   -8   10    8 o  501.111   4.3904  2465.75   40.500 23.73349 8.780867 
1 1 1   -8   10    9 o  415.684   3.7577  1707.40   29.008 13.77710 7.515442 
1 1 1   -8   10   10 o  591.961   5.1159  3462.94   56.072 19.87469 10.23183 
1 1 1   -8   10   11 o  146.663   7.1077  215.367   20.849      ?      ? 
1 1 1   -8   10   12 o  633.399   5.4824  3970.35   64.384 19.48053 10.96481 
1 1 1   -8   10   13 o  574.215   5.0114  3300.44   54.168 0.1588135 10.02279 
1 1 1   -8   10   14 o  383.850   3.7772  1476.21   27.241 -1.335236 7.554463 
1 1 1   -8   10   15 o  321.301   3.5557  1035.98   21.325 -2.496582 7.111442 
1 1 1   -8   10   17 o  228.586   2.9833  522.384   13.615 3.527039 5.966578 
1 1 1   -8   10   18 o  545.076   3.9329  2973.94   42.859 8.055298 7.865824 
1 1 1   -8   10   19 o  294.533   2.9349  868.362   17.281 -1.009583 5.869861 
1 1 1   -8   10   20 o  107.626   5.4702  116.618   11.737 -7.257675 10.94041 
1 1 1   -8   10   21 o   75.377   11.021   57.240   16.614      ?      ? 
1 1 1   -8   10   22 o  276.497   2.9198  765.019   16.140 -7.319122 5.839640 
1 1 1   -8   10   23 o  140.082   4.1119  196.710   11.514 6.160751 8.223716 
1 1 1   -8   10   24 o   52.574   13.837   29.252   14.748      ?      ? 
1 1 1   -8   10   25 o  272.299   2.8057  743.217   15.277 -2.973541 5.611307 
1 1 1   -8   10   26 o  142.783   3.8532  204.567   10.996 7.159576 7.706336 
1 1 1   -8   10   27 o   18.670   9.3985 -48.9650   15.909      ?      ? 
1 1 1   -8   10   29 o  173.380   3.3296  301.951   11.532 0.6839752 6.659138 
1 1 1   -8   10   30 o  176.027   4.9678  312.924   17.489      ?      ? 
1 1 1   -8   10   31 o  203.478   4.8727  415.975   19.830      ?      ? 
1 1 1   -8   10   32 o   28.677   8.8213  -9.3201   10.433 15.06586 17.64260 
1 1 1   -8   10   33 o  111.829   4.8353  125.623   10.784 9.494316 9.670663 
1 1 1   -8   10   34 o   84.965   6.3158   73.773   10.709 0.2795868 12.63152 
1 1 1   -8   10   35 o  166.152   3.5522  277.289   11.756 6.126236 7.104334 
1 1 1   -8   10   36 o   40.863   10.351   15.572   10.981 -7.268387 20.70259 
1 1 1   -8   10   37 o  154.012   3.8454  239.146   11.834 -7.293503 7.690820 
1 1 1   -8   11    1 o  336.428   5.0824  1132.49   34.197      ?      ? 
1 1 1   -8   11    2 o  727.595   10.042  5305.84  146.136      ?      ? 
1 1 1   -8   11    3 o  611.609   8.4905  3746.60  103.857      ?      ? 
1 1 1   -8   11    4 o  245.175   4.5289  601.381   22.207      ?      ? 
1 1 1   -8   11    5 o  319.939   4.9839  1024.18   31.891      ?      ? 
1 1 1   -8   11    6 o  100.610   7.0688  101.343   14.224      ?      ? 
1 1 1   -8   11    7 o  556.890   5.5335  3098.46   61.526 21.88507 11.06692 
1 1 1   -8   11    8 o  391.691   3.5701  1523.57   26.157 8.210693 7.140282 
1 1 1   -8   11    9 o  240.258   4.8954  577.579   23.523      ?      ? 
1 1 1   -8   11   10 o  492.771   4.3451  2421.42   40.103 5.057709 8.690166 
1 1 1   -8   11   11 o  494.670   4.3925  2448.82   40.831 0.1752930 8.784972 
1 1 1   -8   11   12 o  227.805   5.8047  519.373   26.447      ?      ? 
1 1 1   -8   11   13 o  193.023   3.8155  379.277   13.629 -9.030685 7.631036 
1 1 1   -8   11   14 o  287.565   3.9007  827.373   22.434      ?      ? 
1 1 1   -8   11   15 o  343.494   3.5716  1166.54   22.756 10.87469 7.143239 
1 1 1   -8   11   16 o  166.262   4.5286  290.498   13.626 -20.77130 9.057149 
1 1 1   -8   11   17 o  398.366   3.1419  1584.92   24.985 13.02911 6.283803 
1 1 1   -8   11   18 o  293.729   2.8744  863.636   16.875 -1.583221 5.748821 
1 1 1   -8   11   19 o  255.108   2.9000  650.749   14.772 4.436676 5.800029 
1 1 1   -8   11   20 o  292.022   2.8743  852.216   16.769 10.11087 5.748501 
1 1 1   -8   11   22 o   96.742   8.2768   94.234   16.014      ?      ? 
1 1 1   -8   11   23 o  376.877   3.0560  1422.98   23.034 0.1685486 6.111989 
1 1 1   -8   11   24 o  161.803   3.5627  262.667   11.523 -1.073380 7.125428 
1 1 1   -8   11   25 o  251.441   2.8221  633.721   14.188 -7.505951 5.644288 
1 1 1   -8   11   26 o   32.489   9.5659   1.1101   10.658 9.177353 19.13187 
1 1 1   -8   11   28 o  138.518   3.9469  193.242   10.925 -2.312164 7.893815 
1 1 1   -8   11   29 o   28.180   8.9108  -5.5469   10.307 1.633152 17.82166 
1 1 1   -8   11   30 o  148.799   4.2890  222.463   12.750 -6.253784 8.578012 
1 1 1   -8   11   31 o  125.931   4.9563  161.514   12.413 -14.45274 9.912560 
1 1 1   -8   11   32 f   22.824   7.7850 -22.2103   10.595 1.522877 15.56998 
1 1 1   -8   11   33 o  145.473   3.8675  214.089   11.200 -1.192352 7.734928 
1 1 1   -8   11   34 o   69.104   7.9226   49.825   10.667 10.33080 15.84517 
1 1 1   -8   11   35 o  120.362   4.7393  149.032   11.236 -11.80216 9.478663 
1 1 1   -8   11   36 o   26.482   8.6643 -11.7791   10.964 -2.271605 17.32870 
1 1 1   -8   11   37 o  115.110   4.8878  136.419   11.028 -25.04731 9.775517 
1 1 1   -8   12    1 o  296.134   4.6770  877.388   27.701      ?      ? 
1 1 1   -8   12    2 o  409.694   5.8897  1679.83   48.259      ?      ? 
1 1 1   -8   12    3 o  571.888   7.9662  3275.41   91.115      ?      ? 
1 1 1   -8   12    4 o  263.907   4.5685  696.814   24.113      ?      ? 
1 1 1   -8   12    5 o  347.543   5.2670  1208.68   36.610      ?      ? 
1 1 1   -8   12    6 o  380.343   5.6736  1447.76   43.159      ?      ? 
1 1 1   -8   12    7 o  335.190   3.7536  1123.24   25.135 -6.303070 7.507258 
1 1 1   -8   12    8 o  196.890   3.0619  399.256   11.364 -18.80881 6.123767 
1 1 1   -8   12    9 o  269.649   5.0098  727.561   27.018      ?      ? 
1 1 1   -8   12   10 f  227.684   3.2174  521.977   13.552 -3.896530 6.434715 
1 1 1   -8   12   11 o  391.601   6.1304  1534.89   48.014      ?      ? 
1 1 1   -8   12   12 o  380.016   3.6826  1430.38   25.878 10.03271 7.365212 
1 1 1   -8   12   13 o  311.951   3.4158  988.138   20.086 -14.15936 6.831611 
1 1 1   -8   12   14 o  304.481   5.7151  928.045   34.803      ?      ? 
1 1 1   -8   12   15 o  477.181   4.3326  2260.14   38.473 11.11618 8.665202 
1 1 1   -8   12   16 o  297.181   3.4379  888.693   19.167 -4.643768 6.875901 
1 1 1   -8   12   17 f  165.757   4.3760  283.817   13.344 -13.95027 8.751908 
1 1 1   -8   12   18 f  369.834   3.0193  1367.68   22.310 8.391815 6.038559 
1 1 1   -8   12   19 o  300.450   2.8329  903.065   17.004 3.482391 5.665826 
1 1 1   -8   12   20 o  349.082   2.9771  1220.02   20.784 -2.633972 5.954236 
1 1 1   -8   12   21 o  251.589   2.8485  633.791   14.332 3.137650 5.696983 
1 1 1   -8   12   22 o   51.056   9.9441   27.407   10.482 -1.388248 19.88827 
1 1 1   -8   12   23 o  126.486   4.3004  160.632   10.876 4.186150 8.600882 
1 1 1   -8   12   24 o  111.731   4.7060  125.548   10.505 7.275063 9.412080 
1 1 1   -8   12   25 o  199.443   2.9980  398.988   11.954 -2.798569 5.995937 
1 1 1   -8   12   27 o   53.469   10.153   30.636   11.097 5.044930 20.30519 
1 1 1   -8   12   28 o   22.394   7.6189 -21.5908   10.134 2.997562 15.23777 
1 1 1   -8   12   29 o  146.341   3.8012  217.457   11.106 -6.255524 7.602418 
1 1 1   -8   12   30 o   86.609   9.9262   76.018   17.194      ?      ? 
1 1 1   -8   12   31 o  156.188   3.8136  246.010   11.896 0.7886505 7.627290 
1 1 1   -8   12   32 o  103.092   7.0025  107.305   14.438      ?      ? 
1 1 1   -8   12   33 o   27.921   8.8511  -5.8383   10.324 -2.281563 17.70223 
1 1 1   -8   12   34 o  117.616   4.6481  140.537   10.839 -2.856346 9.296225 
1 1 1   -8   12   35 o   39.953   10.322   14.679   10.751 -1.365948 20.64344 
1 1 1   -8   12   36 o  156.727   3.7404  247.038   11.671 2.686066 7.480881 
1 1 1   -8   12   37 o   88.605   5.8452   81.851   10.323 -9.339157 11.69041 
1 1 1   -8   13    1 o  608.947   8.4492  3714.68  102.903      ?      ? 
1 1 1   -8   13    2 f  438.390   6.2569  1923.71   54.859      ?      ? 
1 1 1   -8   13    3 o  385.897   5.6541  1490.34   43.638      ?      ? 
1 1 1   -8   13    4 o  193.796   4.5821  375.765   17.760      ?      ? 
1 1 1   -8   13    5 o  268.003   4.7163  718.646   25.279      ?      ? 
1 1 1   -8   13    6 o  269.122   4.9009  724.690   26.379      ?      ? 
1 1 1   -8   13    7 o  720.924   7.0745  5209.20  101.990 8.153198 14.14904 
1 1 1   -8   13    8 o  488.966   4.2985  2389.81   39.550 1.844910 8.596987 
1 1 1   -8   13    9 f  156.346   6.4285  244.688   20.101      ?      ? 
1 1 1   -8   13   10 o  303.468   5.4122  921.581   32.848      ?      ? 
1 1 1   -8   13   11 o  501.780   4.4535  2514.17   41.814 3.579315 8.907079 
1 1 1   -8   13   12 o  409.595   3.8452  1705.47   29.984 -21.86902 7.690374 
1 1 1   -8   13   13 o  679.466   5.8349  4614.83   74.373 4.531128 11.66985 
1 1 1   -8   13   14 o  561.157   4.9227  3150.57   51.852 1.770630 9.845363 
1 1 1   -8   13   15 o  393.920   3.7902  1554.48   28.013 -0.7934265 7.580448 
1 1 1   -8   13   16 o  568.515   4.9868  3217.18   52.839 10.34680 9.973664 
1 1 1   -8   13   17 f  254.365   3.5489  656.974   16.561 -9.258438 7.097701 
1 1 1   -8   13   18 o  272.919   3.5271  745.378   17.638 0.3746338 7.054148 
1 1 1   -8   13   19 f  436.269   3.3216  1900.86   28.920 16.64868 6.643195 
1 1 1   -8   13   20 o  152.426   3.7216  233.084   11.334 -6.348099 7.443181 
1 1 1   -8   13   21 o  297.799   2.7844  887.889   16.579 4.505890 5.568827 
1 1 1   -8   13   22 o   64.444   8.0904   43.016   10.102 13.76898 16.18076 
1 1 1   -8   13   23 o  170.120   3.1999  290.216   10.880 -0.7869263 6.399791 
1 1 1   -8   13   24 o  151.859   3.4388  231.470   10.428 -0.7796173 6.877570 
1 1 1   -8   13   25 o   25.509   11.828 -11.6807   14.417      ?      ? 
1 1 1   -8   13   26 o  228.456   4.4495  522.576   20.330      ?      ? 
1 1 1   -8   13   27 o  196.532   3.0624  388.228   12.021 -9.465683 6.124862 
1 1 1   -8   13   28 o  214.657   2.9607  462.502   12.707 -0.2778168 5.921458 
1 1 1   -8   13   29 o   93.060   6.3483   90.583   11.088 -38.86964 12.69663 
1 1 1   -8   13   30 o  140.602   4.0750  199.205   11.447 6.013031 8.149960 
1 1 1   -8   13   31 f  163.966   3.5387  270.875   11.580 -1.933502 7.077312 
1 1 1   -8   13   32 o   30.043   9.1038  -4.5900   10.448 13.31562 18.20763 
1 1 1   -8   13   33 o   56.005   9.3850   34.227   10.327 0.7546959 18.76993 
1 1 1   -8   13   34 o   26.675   8.6467  -8.8313   10.416 -0.5122776 17.29349 
1 1 1   -8   13   35 o   63.810   8.7002   43.262   10.641 9.869865 17.40039 
1 1 1   -8   13   36 o  126.171   4.2823  160.976   10.727 -1.856087 8.564617 
1 1 1   -8   14    1 o  375.254   3.9947  1409.24   29.958 -0.8157349E-01 7.989305 
1 1 1   -8   14    2 o  480.432   6.8189  2310.77   65.521      ?      ? 
1 1 1   -8   14    3 o  410.029   5.9682  1682.70   48.942      ?      ? 
1 1 1   -8   14    4 o  302.520   4.9581  915.741   29.999      ?      ? 
1 1 1   -8   14    5 o  886.396   12.230  7886.67  216.818      ?      ? 
1 1 1   -8   14    6 o  467.600   6.7265  2189.02   62.906      ?      ? 
1 1 1   -8   14    7 o  307.062   3.7578  939.644   23.012 -15.99265 7.515676 
1 1 1   -8   14    8 o  435.157   3.9447  1868.43   31.773 15.77478 7.889458 
1 1 1   -8   14    9 o  514.504   4.5305  2624.62   43.342 13.09955 9.060905 
1 1 1   -8   14   10 o  960.015   8.1386  9212.23  146.262 12.00879 16.27713 
1 1 1   -8   14   11 o  219.633   5.8992  482.929   25.913      ?      ? 
1 1 1   -8   14   12 f  507.037   7.3807  2575.46   74.845      ?      ? 
1 1 1   -8   14   13 o  180.630   3.9573  334.393   12.938 -10.41898 7.914616 
1 1 1   -8   14   14 f  426.037   3.9477  1825.24   31.679 -5.638428 7.895439 
1 1 1   -8   14   15 o  126.795   5.3946  173.746   11.997 -22.60074 10.78913 
1 1 1   -8   14   16 o  177.261   4.0464  325.842   12.904 -15.01234 8.092718 
1 1 1   -8   14   17 o  248.013   3.4386  613.969   15.627 1.876709 6.877206 
1 1 1   -8   14   18 o  140.596   5.0408  204.062   12.665 -9.611755 10.08161 
1 1 1   -8   14   19 o  265.857   5.8355  708.591   31.028      ?      ? 
1 1 1   -8   14   20 o  299.714   2.7853  899.279   16.681 3.116028 5.570601 
1 1 1   -8   14   21 o  141.574   3.7001  200.712   10.470 5.780457 7.400179 
1 1 1   -8   14   22 o  177.651   3.0621  316.439   10.875 -4.802567 6.124264 
1 1 1   -8   14   23 o  193.091   2.9343  374.375   11.299 -4.492752 5.868681 
1 1 1   -8   14   24 o  197.953   2.9262  392.905   11.534 0.4859467 5.852464 
1 1 1   -8   14   25 o  238.410   4.0798  569.047   19.453      ?      ? 
1 1 1   -8   14   26 o   58.041   9.1707   37.208   10.629 -17.47234 18.34139 
1 1 1   -8   14   27 o   64.845   8.0397   43.867   10.176 -1.832207 16.07940 
1 1 1   -8   14   28 o   96.197   5.6997   95.182   10.963 0.6381149 11.39931 
1 1 1   -8   14   29 o  212.526   3.1249  452.912   13.277 -8.780472 6.249751 
1 1 1   -8   14   30 o   31.498   9.4604   1.5438   10.349 2.348000 18.92072 
1 1 1   -8   14   31 o  118.536   4.5474  141.415   10.715 1.654366 9.094885 
1 1 1   -8   14   32 o   59.895   8.8116   39.949   10.292 -19.41282 17.62315 
1 1 1   -8   14   33 o   65.806   8.0238   45.577   10.216 -0.8579330 16.04764 
1 1 1   -8   14   34 o   53.267   9.6894   31.885   10.419 -8.325722 19.37873 
1 1 1   -8   14   35 o   70.481   8.1214   55.015   10.580 -19.37873 16.24289 
1 1 1   -8   14   36 o  125.896   4.0809  160.909   10.198 -3.026901 8.161718 
1 1 1   -8   15    1 o  375.063   4.0320  1407.90   30.228 0.8059692E-01 8.064061 
1 1 1   -8   15    2 o  260.586   4.7348  679.436   24.677      ?      ? 
1 1 1   -8   15    3 o  377.131   5.6654  1423.43   42.732      ?      ? 
1 1 1   -8   15    4 o  364.846   5.6099  1332.16   40.935      ?      ? 
1 1 1   -8   15    5 o  383.964   5.7600  1475.45   44.233      ?      ? 
1 1 1   -8   15    6 o  348.476   5.4758  1215.24   38.163      ?      ? 
1 1 1   -8   15    7 o  411.341   4.3643  1693.57   35.902 5.171265 8.728663 
1 1 1   -8   15    8 o  354.015   5.6209  1254.61   39.798      ?      ? 
1 1 1   -8   15    9 o  125.031   5.3057  183.910   10.866 -44.89942 10.61143 
1 1 1   -8   15   10 o  310.244   3.3381  899.896   18.251 42.08923 6.676250 
1 1 1   -8   15   11 o  573.423   4.9948  3273.39   53.419 9.482910 9.989648 
1 1 1   -8   15   12 o  402.286   3.7773  1615.05   28.337 3.355743 7.554521 
1 1 1   -8   15   13 o  114.689   5.5163  138.567   11.081 -12.76086 11.03254 
1 1 1   -8   15   14 o  205.173   3.5565  421.318   13.185 0.7293701E-01 7.112920 
1 1 1   -8   15   15 o  292.761   3.3614  860.506   18.168 -2.235352 6.722748 
1 1 1   -8   15   16 f  225.908   3.4423  511.799   14.244 -0.9286194 6.884580 
1 1 1   -8   15   17 f   56.522   9.6592   38.960   11.530 -29.83002 19.31834 
1 1 1   -8   15   18 o  274.523   5.7868  755.456   31.772      ?      ? 
1 1 1   -8   15   19 o  128.095   5.3331  171.671   12.041 -11.74846 10.66626 
1 1 1   -8   15   20 f  144.515   4.5317  205.438   11.930 6.754913 9.063391 
1 1 1   -8   15   21 o  200.898   2.8872  404.682   11.584 -2.992401 5.774497 
1 1 1   -8   15   22 o  109.595   4.4882  123.055   9.6132 -25.31561 8.976470 
1 1 1   -8   15   23 o  144.378   3.4670  208.381   9.9839 7.497864 6.933965 
1 1 1   -8   15   24 f  234.578   2.8816  548.957   13.462 10.86281 5.763213 
1 1 1   -8   15   26 o   79.974   6.2249   63.881   9.8423 16.96170 12.44981 
1 1 1   -8   15   27 o  157.294   3.5058  249.979   10.982 -8.242203 7.011649 
1 1 1   -8   15   29 o  148.102   3.7996  221.321   11.222 -1.915985 7.599142 
1 1 1   -8   15   30 o  124.277   4.3139  156.874   10.611 -6.224518 8.627826 
1 1 1   -8   15   31 o   22.969   7.7659 -17.5012   9.9534 0.8126640 15.53181 
1 1 1   -8   15   32 o   65.663   7.8973   45.152   10.034 1.129166 15.79470 
1 1 1   -8   15   33 o   62.123   8.3552   39.447   10.029 23.56841 16.71041 
1 1 1   -8   15   34 o  140.157   3.9413  197.669   10.869 2.485855 7.882508 
1 1 1   -8   15   35 o   99.468   5.2620   99.261   10.350 6.751541 10.52403 
1 1 1   -8   16    1 o  292.663   3.5903  850.587   20.923 36.93710 7.180555 
1 1 1   -8   16    2 o  241.014   3.5393  582.633   16.960 32.67207 7.078659 
1 1 1   -8   16    3 o  394.025   5.8736  1553.98   46.287      ?      ? 
1 1 1   -8   16    4 o  689.482   9.5840  4766.71  132.160      ?      ? 
1 1 1   -8   16    5 o  316.687   5.2039  1003.81   32.960      ?      ? 
1 1 1   -8   16    6 o   91.495   9.4483   83.972   17.289      ?      ? 
1 1 1   -8   16    7 o  483.348   4.9318  2337.99   47.647 11.28406 9.863679 
1 1 1   -8   16    8 f  330.958   3.4158  944.235   18.758 81.57712 6.831515 
1 1 1   -8   16    9 o  242.787   3.2490  576.722   14.257 12.39070 6.497983 
1 1 1   -8   16   10 o  485.974   4.3251  2347.76   39.084 9.365387 8.650167 
1 1 1   -8   16   11 o  406.917   3.7713  1662.19   28.845 -3.338715 7.542500 
1 1 1   -8   16   12 o  652.100   5.6024  4247.32   68.404 6.811584 11.20486 
1 1 1   -8   16   13 o  119.983   5.1870  150.028   11.024 -10.72369 10.37398 
1 1 1   -8   16   14 o  132.635   4.8869  191.249   11.284 -25.02698 9.773792 
1 1 1   -8   16   15 o  452.743   4.1216  2045.02   34.767 5.097382 8.243142 
1 1 1   -8   16   16 o   81.830   8.9071   80.828   11.434 -29.15816 17.81429 
1 1 1   -8   16   17 o  183.686   6.3913  338.419   23.480      ?      ? 
1 1 1   -8   16   18 o  245.994   3.4320  599.112   15.284 6.814270 6.864027 
1 1 1   -8   16   19 f   34.788   9.6464   5.3934   10.851 -10.65090 19.29290 
1 1 1   -8   16   20 o  312.897   3.3951  984.042   19.827 -2.446167 6.790243 
1 1 1   -8   16   21 o   29.551   9.4303  -6.5233   10.848 6.711563 18.86061 
1 1 1   -8   16   22 o   89.383   6.8987   83.566   10.934 -6.953522 13.79748 
1 1 1   -8   16   23 f   18.699   9.3113 -35.0259   13.857      ?      ? 
1 1 1   -8   16   25 o   73.816   6.5968   55.514   9.6996 -0.8917007 13.19356 
1 1 1   -8   16   26 o   84.841   5.6198   73.595   9.4431 -10.52814 11.23950 
1 1 1   -8   16   27 o   29.059   8.9771  -3.8159   10.148 -5.726597 17.95427 
1 1 1   -8   16   28 o  148.787   3.6719  223.026   10.898 -1.110992 7.343767 
1 1 1   -8   16   29 f  113.718   4.5189  130.805   10.194 0.7899246 9.037848 
1 1 1   -8   16   30 o  115.653   4.5077  136.234   10.265 -7.821228 9.015335 
1 1 1   -8   16   31 o   54.085   9.3725   32.313   10.032 -7.060966 18.74507 
1 1 1   -8   16   32 o   90.037   5.8693   85.452   10.144 -13.82079 11.73862 
1 1 1   -8   16   33 o   79.637   6.5402   64.572   10.278 4.451317 13.08047 
1 1 1   -8   16   34 o  109.764   4.9337  122.163   10.676 -0.3863144 9.867346 
1 1 1   -8   16   35 o   78.654   6.1126   62.673   9.5388 9.698013 12.22518 
1 1 1   -8   17    1 o  285.175   3.5598  810.945   20.139 -7.950104 7.119627 
1 1 1   -8   17    2 o  126.887   5.0843  164.736   12.541 13.80363 10.16863 
1 1 1   -8   17    3 o  101.015   7.7168  102.240   15.590      ?      ? 
1 1 1   -8   17    4 o  298.756   5.0253  893.272   30.027      ?      ? 
1 1 1   -8   17    5 o  271.543   4.9953  737.936   27.129      ?      ? 
1 1 1   -8   17    6 o  417.694   6.2022  1746.90   51.813      ?      ? 
1 1 1   -8   17    7 o  236.674   3.6633  559.518   17.309 -19.82491 7.326536 
1 1 1   -8   17    8 o  387.336   4.1385  1501.30   32.060      ?      ? 
1 1 1   -8   17    9 o  440.172   4.0110  1910.33   32.467 16.74258 8.021908 
1 1 1   -8   17   10 o  442.295   3.9929  1958.95   33.147 -0.1553955 7.985783 
1 1 1   -8   17   11 o  306.339   3.2668  930.246   18.397 7.396545 6.533552 
1 1 1   -8   17   12 f  494.987   4.3876  2450.18   40.648 2.508514 8.775264 
1 1 1   -8   17   13 o  413.360   3.8392  1715.67   29.750 -3.074188 7.678308 
1 1 1   -8   17   14 o  179.599   3.8105  334.915   12.262 -15.49409 7.621002 
1 1 1   -8   17   15 o  148.172   4.6306  242.121   11.762 -31.88812 9.261162 
1 1 1   -8   17   16 o  177.813   3.9562  329.197   12.472 -15.63704 7.912409 
1 1 1   -8   17   17 o  305.101   3.3493  931.087   18.905 1.367676 6.698528 
1 1 1   -8   17   18 o  103.340   6.2602  116.668   10.946 -17.93735 12.52042 
1 1 1   -8   17   19 o  165.842   3.9750  276.409   11.770 -0.7759552 7.950063 
1 1 1   -8   17   20 o  171.395   3.8849  300.441   12.081 -8.010895 7.769720 
1 1 1   -8   17   21 o  118.889   5.1336  141.815   11.108 0.8839340 10.26718 
1 1 1   -8   17   22 o   22.427   7.9081 -37.6290   11.305 10.96624 15.81622 
1 1 1   -8   17   23 o  341.308   3.6144  1084.97   21.907 50.56403 7.228736 
1 1 1   -8   17   24 o   24.438   11.328 -10.5444   13.208      ?      ? 
1 1 1   -8   17   25 o   76.640   5.9024   59.588   9.0429 0.2211685 11.80478 
1 1 1   -8   17   26 o  134.008   3.8165  181.749   10.220 -1.841187 7.633076 
1 1 1   -8   17   27 o  138.818   3.8271  193.717   10.605 -2.797943 7.654184 
1 1 1   -8   17   28 o   26.785   8.4938  -5.6553   9.4013 4.792673 16.98763 
1 1 1   -8   17   29 o  114.607   4.4629  132.081   10.149 2.273201 8.925792 
1 1 1   -8   17   30 o   99.992   5.1085  101.881   10.041 -0.8348007 10.21692 
1 1 1   -8   17   31 o   28.051   8.8254  -4.1701   9.9886 -0.6941757 17.65071 
1 1 1   -8   17   32 o   30.537   9.1429   1.3918   9.8619 -4.186787 18.28578 
1 1 1   -8   17   33 o   91.955   5.7221   86.145   10.359 0.9685135 11.44416 
1 1 1   -8   17   34 o   96.816   5.3927   93.758   10.351 10.89132 10.78533 
1 1 1   -8   18    1 o  337.241   3.8439  1138.13   25.907 18.01526 7.687744 
1 1 1   -8   18    2 o  315.491   3.7249  994.797   23.405 -5.012970 7.449839 
1 1 1   -8   18    3 o  184.981   3.9316  336.897   14.394 -20.71808 7.863101 
1 1 1   -8   18    4 o  169.443   5.6573  287.458   19.172      ?      ? 
1 1 1   -8   18    5 o  398.309   5.9815  1588.75   47.649      ?      ? 
1 1 1   -8   18    6 o  263.253   3.6005  693.842   18.955 2.450928 7.201000 
1 1 1   -8   18    7 o  432.738   4.5264  1873.89   39.144 11.38437 9.052891 
1 1 1   -8   18    8 o  275.522   5.2638  760.084   29.006      ?      ? 
1 1 1   -8   18    9 f  534.518   4.6835  2824.89   46.216 17.95660 9.366914 
1 1 1   -8   18   10 o  341.874   3.4240  1173.93   21.722 -3.067566 6.848099 
1 1 1   -8   18   11 o  260.448   3.1878  662.942   14.904 13.74724 6.375542 
1 1 1   -8   18   12 o  186.786   3.4967  353.163   11.756 -4.779495 6.993415 
1 1 1   -8   18   13 o  242.190   3.1920  590.839   14.259 -3.934326 6.383972 
1 1 1   -8   18   14 o  122.742   5.0024  153.354   10.796 -3.999756 10.00475 
1 1 1   -8   18   15 o   95.099   6.9827  105.364   10.706 -28.36762 13.96547 
1 1 1   -8   18   16 o  409.013   3.8090  1680.39   29.199 -2.252258 7.618036 
1 1 1   -8   18   17 o  175.905   3.9044  326.682   12.053 -20.55824 7.808861 
1 1 1   -8   18   18 o  268.652   3.2416  729.197   16.034 -5.739227 6.483260 
1 1 1   -8   18   19 f  134.499   4.6473  189.507   10.807 -11.84206 9.294521 
1 1 1   -8   18   20 o  113.162   5.4232  132.676   10.856 -7.279968 10.84638 
1 1 1   -8   18   21 o   36.094   10.187   7.5957   11.151 -3.617512 20.37431 
1 1 1   -8   18   22 o  238.625   5.5848  570.454   26.653      ?      ? 
1 1 1   -8   18   24 f   41.992   10.567   15.964   10.532 4.635342 21.13457 
1 1 1   -8   18   25 o   78.755   7.5941   68.921   10.608 -13.08042 15.18830 
1 1 1   -8   18   27 o   26.804   8.4691  -5.3653   9.4537 -3.559990 16.93814 
1 1 1   -8   18   28 o  149.026   3.4556  224.664   10.222 -8.227371 6.911255 
1 1 1   -8   18   29 o   37.207   9.6549   12.258   9.5625 -5.109711 19.30981 
1 1 1   -8   18   30 o   73.465   6.8284   53.701   9.8615 17.64586 13.65685 
1 1 1   -8   18   31 o   63.530   8.4959   45.899   10.071 -19.94927 16.99184 
1 1 1   -8   18   32 o   61.084   8.5793   39.642   9.9932 5.225101 17.15866 
1 1 1   -8   18   33 o   55.026   9.2395   33.592   9.9946 -9.477150 18.47896 
1 1 1   -8   18   34 o   53.211   8.9848   32.252   9.4070 1.008385 17.96969 
1 1 1   -8   19    1 o  346.603   3.8534  1203.05   26.659 0.9199829 7.706888 
1 1 1   -8   19    2 o  509.949   5.1455  2601.48   52.385 -15.19534 10.29107 
1 1 1   -8   19    3 o  533.474   5.3644  2853.16   57.234 1.434509 10.72873 
1 1 1   -8   19    4 o  701.799   9.7714  4946.31  137.152      ?      ? 
1 1 1   -8   19    5 o  357.762   5.6081  1281.80   40.127      ?      ? 
1 1 1   -8   19    6 o  206.831   3.7460  429.432   15.440 -19.95659 7.491931 
1 1 1   -8   19    7 o  222.736   3.6167  495.955   16.074 5.188904 7.233380 
1 1 1   -8   19    8 o  228.291   3.5744  521.761   16.286 0.8855896 7.148753 
1 1 1   -8   19    9 o   42.252   8.7924   19.920   9.1281 -20.69523 17.58484 
1 1 1   -8   19   10 o  290.627   3.1990  836.919   16.902 7.031403 6.397936 
1 1 1   -8   19   11 o  354.605   3.4844  1250.56   22.730 6.040771 6.968856 
1 1 1   -8   19   12 o  436.460   3.9974  1883.24   32.113 14.43195 7.994804 
1 1 1   -8   19   13 o  167.064   3.7912  285.285   11.263 -7.577103 7.582337 
1 1 1   -8   19   14 o   68.496   8.9029   52.522   9.9829 -12.53834 17.80587 
1 1 1   -8   19   15 o  241.917   3.2273  583.096   14.063 2.932739 6.454672 
1 1 1   -8   19   16 o   63.625   8.9068   40.470   9.9161 3.255939 17.81364 
1 1 1   -8   19   17 o   80.678   7.7102   71.984   10.037 -13.67631 15.42048 
1 1 1   -8   19   18 o  231.025   3.2828  538.291   13.628 -3.186813 6.565681 
1 1 1   -8   19   19 o  165.687   3.9149  280.955   11.361 -6.934967 7.829764 
1 1 1   -8   19   20 o  227.423   3.3984  525.540   14.347 -7.406677 6.796845 
1 1 1   -8   19   21 o  275.467   5.5168  760.170   30.394      ?      ? 
1 1 1   -8   19   22 o   42.249   9.1707   17.502   11.032 -26.37393 18.34138 
1 1 1   -8   19   23 o  168.791   3.8022  291.035   11.651 -6.767685 7.604435 
1 1 1   -8   19   24 o   48.906   10.193   27.291   10.615 -8.453259 20.38571 
1 1 1   -8   19   25 o  181.757   5.7611  331.351   20.942      ?      ? 
1 1 1   -8   19   26 o   19.612   6.9234 -33.5317   10.084 3.350069 13.84685 
1 1 1   -8   19   27 o   26.007   8.2398  -6.3149   9.1951 -4.653526 16.47965 
1 1 1   -8   19   28 f   22.180   7.5277 -18.4421   9.5365 1.495934 15.05544 
1 1 1   -8   19   29 o  191.071   2.9879  366.400   11.347 2.019775 5.975831 
1 1 1   -8   19   30 o   71.252   7.2126   52.520   10.031 -1.456345 14.42525 
1 1 1   -8   19   31 o   56.167   9.2202   34.160   9.9870 2.913586 18.44036 
1 1 1   -8   19   32 o  167.454   3.3441  283.198   10.991 -3.070877 6.688222 
1 1 1   -8   19   33 o   30.114   8.9023   1.4490   9.3877 -6.175781 17.80467 
1 1 1   -8   20    1 o  422.001   4.3992  1781.62   37.070 -10.75443 8.798375 
1 1 1   -8   20    2 o  308.901   3.6773  954.203   22.674 -6.440765 7.354652 
1 1 1   -8   20    3 o  323.994   3.7708  1050.85   24.413 -3.089935 7.541555 
1 1 1   -8   20    4 o  337.964   3.8427  1144.12   25.963 1.048676 7.685352 
1 1 1   -8   20    5 f  422.231   6.2421  1786.69   52.712      ?      ? 
1 1 1   -8   20    6 o  108.369   5.6682  118.123   12.203 -2.103951 11.33636 
1 1 1   -8   20    7 o  110.941   5.7263  126.043   12.428 -14.29440 11.45262 
1 1 1   -8   20    8 o  308.458   3.7062  953.219   22.841 -1.128967 7.412429 
1 1 1   -8   20    9 o  277.852   3.1718  777.323   16.016 -3.921204 6.343696 
1 1 1   -8   20   10 o  533.935   4.6836  2829.99   46.348 13.64368 9.367123 
1 1 1   -8   20   11 o  168.581   3.6522  264.799   10.812 24.05154 7.304420 
1 1 1   -8   20   12 o   38.710   8.6559   14.145   9.5753 -22.05710 17.31183 
1 1 1   -8   20   13 o  169.361   3.6266  284.763   10.670 3.127014 7.253157 
1 1 1   -8   20   14 o  124.894   4.5910  165.819   9.7269 -14.68469 9.182002 
1 1 1   -8   20   15 o   42.191   9.5837   18.693   9.2958 -9.801609 19.16744 
1 1 1   -8   20   16 o  405.352   3.7738  1612.17   27.851 21.05771 7.547698 
1 1 1   -8   20   17 o   33.206   9.1216   5.8157   9.6140 -10.13199 18.24313 
1 1 1   -8   20   18 o  158.603   3.9352  257.506   10.927 -6.649826 7.870368 
1 1 1   -8   20   19 o  100.634   6.5424  114.358   10.826 -22.55003 13.08479 
1 1 1   -8   20   20 o  281.234   3.4307  711.116   16.716 56.37221 6.861427 
1 1 1   -8   20   21 o  102.169   6.7351  125.056   11.154 -36.90170 13.47022 
1 1 1   -8   20   22 o  175.094   3.9997  308.251   13.835 1.242279 7.999405 
1 1 1   -8   20   23 o   32.102   9.6070   3.2341   10.123 1.246359 19.21402 
1 1 1   -8   20   24 o  157.350   6.6245  248.579   20.847      ?      ? 
1 1 1   -8   20   25 o   28.397   8.4429  -5.7721   10.043 -13.30813 16.88583 
1 1 1   -8   20   26 o  124.884   4.7761  164.619   10.560 -12.53416 9.552124 
1 1 1   -8   20   27 o  191.704   3.6462  350.037   12.481 21.58083 7.292432 
1 1 1   -8   20   28 o   26.132   8.7385 -14.0968   10.526 7.776529 17.47695 
1 1 1   -8   20   29 o   66.905   7.2388   45.942   9.5562 1.907188 14.47762 
1 1 1   -8   20   30 o   90.298   5.6680   84.571   9.9479 -6.581055 11.33605 
1 1 1   -8   20   31 o  103.252   5.1152  110.598   10.098 -8.265175 10.23046 
1 1 1   -8   20   32 o  102.396   5.2615  110.387   10.185 -14.31032 10.52304 
1 1 1   -8   21    1 o  490.255   4.9874  2410.06   48.894 6.778290 9.974723 
1 1 1   -8   21    2 o  298.971   3.6099  895.574   21.577 7.781830 7.219801 
1 1 1   -8   21    3 o  321.862   3.7304  1037.80   24.007 1.194214 7.460716 
1 1 1   -8   21    4 o  253.567   3.5465  643.282   17.954 -4.249329 7.092980 
1 1 1   -8   21    5 o  376.300   4.1272  1398.21   30.795 41.79080 8.254399 
1 1 1   -8   21    6 o  228.478   3.5554  523.369   16.227 -6.075134 7.110886 
1 1 1   -8   21    7 o  372.662   4.0608  1389.75   30.224 9.051483 8.121573 
1 1 1   -8   21    8 o  333.935   3.8387  1117.53   25.628 -1.676910 7.677420 
1 1 1   -8   21    9 o  234.773   3.0811  559.570   13.055 -7.706863 6.162232 
1 1 1   -8   21   10 o  292.879   3.1481  865.721   16.995 -5.803925 6.296131 
1 1 1   -8   21   11 o  306.246   3.2042  932.463   17.844 5.442444 6.408332 
1 1 1   -8   21   12 o  206.720   3.2429  438.468   11.768 -10.75465 6.485859 
1 1 1   -8   21   13 o  153.025   3.9551  246.439   10.032 -13.98404 7.910201 
1 1 1   -8   21   14 o  400.915   3.7248  1585.62   27.255 15.75745 7.449614 
1 1 1   -8   21   15 o  221.075   3.1601  488.459   12.424 1.369568 6.320141 
1 1 1   -8   21   16 o  104.934   5.3890  113.344   9.5738 -4.633835 10.77792 
1 1 1   -8   21   17 o  249.510   3.2191  630.149   14.588 -5.496643 6.438170 
1 1 1   -8   21   18 o   37.279   15.795   1.4146   20.412      ?      ? 
1 1 1   -8   21   19 o  122.835   4.9692  137.889   11.071 25.33282 9.938473 
1 1 1   -8   21   20 o   36.746   8.6207   10.207   10.002 -22.73841 17.24134 
1 1 1   -8   21   21 o  249.195   3.1575  621.567   14.396 1.592712 6.314962 
1 1 1   -8   21   22 o   35.848   9.2710   11.001   9.7060 -12.34198 18.54206 
1 1 1   -8   21   23 o  212.149   5.5869  451.348   23.705      ?      ? 
1 1 1   -8   21   25 o  196.864   3.3659  391.862   12.101 -2.600693 6.731811 
1 1 1   -8   21   26 o   93.103   6.3074   86.234   10.514 3.687256 12.61487 
1 1 1   -8   21   27 o   49.171   9.3034   29.185   10.378 -23.67907 18.60670 
1 1 1   -8   21   28 o  197.369   3.5781  384.452   12.565 8.277542 7.156265 
1 1 1   -8   21   29 o   73.475   9.2270   65.917   10.822 -22.68389 18.45406 
1 1 1   -8   21   30 o  103.607   6.0003  111.371   10.847 -4.327049 12.00051 
1 1 1   -8   21   31 o   80.627   6.2430   65.977   9.7354 1.131401 12.48605 
1 1 1   -8   21   32 o  108.825   5.5832  123.262   12.152      ?      ? 
1 1 1   -8   22    1 o  256.402   3.5357  657.901   18.112 -4.437775 7.071469 
1 1 1   -8   22    2 o  384.801   4.1408  1477.53   31.767 -19.97931 8.281588 
1 1 1   -8   22    3 o  404.684   4.2712  1631.19   34.393 -24.17438 8.542356 
1 1 1   -8   22    4 o  394.801   4.2203  1551.69   33.148 -25.43079 8.440640 
1 1 1   -8   22    5 o  266.464   3.5795  710.450   19.053 -7.013275 7.158981 
1 1 1   -8   22    6 o  191.542   3.6697  368.530   14.022 -7.211121 7.339471 
1 1 1   -8   22    7 o   90.637   7.3389   91.734   11.527 -45.29276 14.67777 
1 1 1   -8   22    8 o  217.884   3.4503  476.729   15.002 -7.244537 6.900655 
1 1 1   -8   22    9 o  179.221   3.2851  322.615   10.015 -0.9919586 6.570121 
1 1 1   -8   22   10 o  163.424   3.4602  278.492   9.5904 -12.93074 6.920450 
1 1 1   -8   22   11 o   74.244   7.2673   60.595   8.2180 -10.58574 14.53460 
1 1 1   -8   22   12 o   70.421   7.7906   55.969   8.3909 -13.17518 15.58119 
1 1 1   -8   22   13 o  320.001   3.2389  1017.48   18.827 6.671356 6.477787 
1 1 1   -8   22   14 o   24.196   8.0912 -11.6037   8.5594 8.508795 16.18232 
1 1 1   -8   22   15 o  120.415   4.6116  151.933   9.4237 -10.02717 9.223124 
1 1 1   -8   22   16 o  264.928   3.1949  698.586   15.410 5.203278 6.389769 
1 1 1   -8   22   17 o  279.536   5.4905  782.864   30.696      ?      ? 
1 1 1   -8   22   18 o   83.857   8.7683   93.484   10.690 -42.97154 17.53660 
1 1 1   -8   22   19 o  158.931   3.8512  260.631   10.821 -9.502045 7.702388 
1 1 1   -8   22   20 o   95.978   5.6300   90.961   9.5351 4.582260 11.26001 
1 1 1   -8   22   21 o  159.296   3.8388  268.996   10.934 -18.47487 7.677620 
1 1 1   -8   22   22 o  200.683   5.3553  403.833   21.494      ?      ? 
1 1 1   -8   22   23 o  158.133   6.0828  252.724   19.238      ?      ? 
1 1 1   -8   22   24 o  132.241   4.5627  182.890   10.407 -9.747643 9.125406 
1 1 1   -8   22   25 o   83.532   7.1312   73.610   10.234 -6.684654 14.26237 
1 1 1   -8   22   26 o  122.088   4.9954  154.816   10.696 -6.915825 9.990782 
1 1 1   -8   22   27 o   97.265   6.5430  105.686   10.527 -18.08003 13.08607 
1 1 1   -8   22   28 o  138.849   4.6381  196.104   11.060 -1.738098 9.276271 
1 1 1   -8   22   29 o   64.234   9.2775   45.392   10.303 -6.604462 18.55503 
1 1 1   -8   22   30 o   74.851   7.5473   49.771   10.399 27.16357 15.09457 
1 1 1   -8   22   31 f   44.198   9.5349   22.848   10.071 -17.01193 19.06984 
1 1 1   -8   23    1 o  298.498   3.5742  893.367   21.332 1.534363 7.148431 
1 1 1   -8   23    2 o  441.628   4.5682  1957.30   40.332 9.145081 9.136494 
1 1 1   -8   23    3 o  250.289   3.4307  626.922   17.159 12.49738 6.861473 
1 1 1   -8   23    4 o  159.138   3.8672  254.374   12.286 4.710602 7.734309 
1 1 1   -8   23    5 o   45.533   10.570   20.315   11.139 -3.746208 21.14009 
1 1 1   -8   23    6 o   53.740   8.3135   36.749   8.7320 -30.29905 16.62698 
1 1 1   -8   23    7 o  292.569   3.4665  854.572   20.192 11.59735 6.933045 
1 1 1   -8   23    8 o  100.759   5.3748  103.418   10.582 -6.609100 10.74961 
1 1 1   -8   23    9 o  195.948   3.3634  380.778   13.047 14.12767 6.726844 
1 1 1   -8   23   10 o  207.270   2.9839  435.288   10.870 -5.028870 5.967733 
1 1 1   -8   23   11 o  165.990   3.2458  268.506   9.1529 8.621033 6.491674 
1 1 1   -8   23   12 f   92.383   5.5102   88.522   8.1913 -4.932854 11.02039 
1 1 1   -8   23   13 o  204.412   3.0401  416.080   10.859 2.667618 6.080111 
1 1 1   -8   23   14 o   87.602   7.1915   93.151   8.9519 -26.90108 14.38295 
1 1 1   -8   23   15 o  237.652   5.3301  566.156   25.334      ?      ? 
1 1 1   -8   23   16 o  176.068   6.1182  310.877   21.544      ?      ? 
1 1 1   -8   23   17 o  151.531   4.0915  242.256   10.534 -14.31757 8.182982 
1 1 1   -8   23   18 o  173.545   3.5443  304.705   10.703 -2.781784 7.088641 
1 1 1   -8   23   19 o  188.270   3.4022  359.066   11.253 -3.588394 6.804441 
1 1 1   -8   23   21 o  203.148   3.1968  385.620   11.695 30.72112 6.393613 
1 1 1   -8   23   22 o  210.355   3.2463  452.334   12.345 -8.729141 6.492579 
1 1 1   -8   23   23 o  104.161   5.6430  116.928   9.9019 -12.97030 11.28605 
1 1 1   -8   23   24 o  123.479   4.6766  146.997   10.255 11.32462 9.353291 
1 1 1   -8   23   25 o  167.061   3.8656  288.884   11.324 -9.986084 7.731212 
1 1 1   -8   23   26 o  282.581   3.3099  789.500   16.854 10.85236 6.619702 
1 1 1   -8   23   27 o  167.947   3.8231  284.190   11.445 0.1082611 7.646107 
1 1 1   -8   23   28 o   86.603   6.6198   76.366   9.9150 0.3423615 13.23966 
1 1 1   -8   23   29 o  117.683   4.9796  135.324   10.467 8.559990 9.959239 
1 1 1   -8   23   30 o  107.887   5.3443  127.699   10.443 -23.91335 10.68867 
1 1 1   -8   24    1 o  266.116   3.3835  709.654   17.990 -1.522430 6.766958 
1 1 1   -8   24    2 f  161.599   3.7780  261.805   12.208 -3.416351 7.556090 
1 1 1   -8   24    3 o  150.578   3.9659  227.518   11.943 1.015579 7.931750 
1 1 1   -8   24    4 o  200.616   3.4696  403.212   13.910 -11.34602 6.939223 
1 1 1   -8   24    5 o  183.349   4.8028  337.062   17.612      ?      ? 
1 1 1   -8   24    6 f  232.985   2.8269  540.908   12.305 3.367813 5.653896 
1 1 1   -8   24    7 o  175.342   3.0908  313.204   9.9482 -7.510910 6.181584 
1 1 1   -8   24    8 o   64.359   8.2535   45.192   9.8909 -14.72055 16.50695 
1 1 1   -8   24    9 o  225.197   3.2888  503.279   14.648 15.35719 6.577672 
1 1 1   -8   24   10 o  129.278   3.7182  166.470   8.0266 1.584351 7.436460 
1 1 1   -8   24   11 o  220.324   2.9138  480.162   11.227 5.835327 5.827527 
1 1 1   -8   24   12 o   55.643   15.739   33.540   18.299      ?      ? 
1 1 1   -8   24   13 o  189.665   3.4508  376.329   11.145 -16.54909 6.901676 
1 1 1   -8   24   14 o  235.699   3.2018  477.790   12.458 58.51590 6.403659 
1 1 1   -8   24   15 o   41.506   6.4533   17.245   9.0204 -43.38580 12.90670 
1 1 1   -8   24   16 o  181.330   3.2991  328.252   10.453 1.809311 6.598106 
1 1 1   -8   24   17 o   43.473   9.1858   21.515   8.6452 -12.20059 18.37155 
1 1 1   -8   24   18 o  167.094   3.7325  296.866   10.667 -18.25787 7.465090 
1 1 1   -8   24   19 f  210.493   3.2211  438.300   12.321 6.230072 6.442103 
1 1 1   -8   24   20 o   69.145   13.010   51.071   17.331      ?      ? 
1 1 1   -8   24   21 o   96.726   6.1414   96.865   11.558 -6.772987 12.28278 
1 1 1   -8   24   22 f  224.467   3.2613  515.084   13.154 -9.302765 6.522516 
1 1 1   -8   24   23 o   95.090   6.3473   95.743   10.115 -8.042419 12.69469 
1 1 1   -8   24   24 o  278.119   3.2575  774.918   16.475 2.040924 6.515034 
1 1 1   -8   24   25 o  115.342   5.3059  143.841   10.300 -15.29047 10.61183 
1 1 1   -8   24   26 o   41.777   10.280   11.979   9.8264 22.48722 20.56030 
1 1 1   -8   24   27 o   95.154   5.8455   86.993   9.9195 11.48207 11.69091 
1 1 1   -8   24   28 o   68.122   8.2126   44.137   9.6163 11.97491 16.42523 
1 1 1   -8   24   29 f   53.511   9.9284   32.181   10.100 -4.894554 19.85690 
1 1 1   -8   25    1 o  147.624   3.6970  217.581   10.832 -5.989655 7.393968 
1 1 1   -8   25    2 o  195.274   3.2998  381.949   12.860 -3.873367 6.599529 
1 1 1   -8   25    3 o  219.464   3.2555  482.962   14.286 -2.964127 6.510939 
1 1 1   -8   25    4 o  310.118   3.5410  965.222   21.962 -1.878296 7.081899 
1 1 1   -8   25    5 o  345.433   3.2790  1186.70   21.021 7.526306 6.557995 
1 1 1   -8   25    6 o  343.967   3.2450  1175.04   20.748 8.752930 6.489975 
1 1 1   -8   25    7 o  191.385   4.8787  367.572   18.674      ?      ? 
1 1 1   -8   25    8 o  331.107   3.6537  1100.48   24.171 3.553589 7.307308 
1 1 1   -8   25    9 o  148.259   4.1705  229.229   11.926 -30.53708 8.340989 
1 1 1   -8   25   10 o  218.245   3.0815  491.722   11.832 -14.15552 6.162975 
1 1 1   -8   25   11 f  296.478   5.3459  880.602   31.699      ?      ? 
1 1 1   -8   25   12 o  101.947   5.4026  111.643   8.4732 -11.56438 10.80510 
1 1 1   -8   25   13 f  100.923   5.5204  113.160   8.4183 -15.93002 11.04074 
1 1 1   -8   25   14 o   85.979   6.4648   86.024   8.1615 -20.23328 12.92966 
1 1 1   -8   25   15 o  224.697   3.0537  490.275   11.797 13.84935 6.107353 
1 1 1   -8   25   16 o   67.725   8.7800   55.790   8.8731 -19.08517 17.56004 
1 1 1   -8   25   18 o  359.497   5.7796  1297.16   41.555      ?      ? 
1 1 1   -8   25   19 o  179.030   3.5647  336.441   11.306 -17.66068 7.129333 
1 1 1   -8   25   20 o   46.022   10.190   21.975   9.4059 1.766129 20.37991 
1 1 1   -8   25   21 o   85.594   8.0524   92.392   9.9264 -33.37323 16.10477 
1 1 1   -8   25   22 o   49.966   10.284   26.722   9.8961 0.7129135 20.56885 
1 1 1   -8   25   23 o   83.097   7.2556   71.793   10.125 -2.990364 14.51112 
1 1 1   -8   25   24 o   73.372   8.9539   67.859   10.058 -27.06215 17.90787 
1 1 1   -8   25   25 o   56.680   9.5854   35.939   9.8199 -7.256069 19.17085 
1 1 1   -8   25   26 o   50.401   9.7464   29.451   9.6151 -10.00304 19.49280 
1 1 1   -8   25   27 o  135.289   4.4105  182.509   10.265 2.739853 8.821088 
1 1 1   -8   25   28 o   65.367   8.3811   43.176   9.4551 5.067577 16.76229 
1 1 1   -8   26    1 o   82.895   5.7775   70.195   9.4067 5.752625 11.55493 
1 1 1   -8   26    2 o  105.607   4.7827  113.208   10.023 10.83719 9.565303 
1 1 1   -8   26    3 o  212.563   3.2358  453.226   13.747 10.71947 6.471546 
1 1 1   -8   26    4 o  363.922   3.9016  1331.99   28.398 0.7926025 7.803283 
1 1 1   -8   26    5 o  179.132   5.0301  322.603   18.021      ?      ? 
1 1 1   -8   26    6 o   72.454   11.506   53.757   16.673      ?      ? 
1 1 1   -8   26    7 f  389.528   5.8888  1522.48   45.877      ?      ? 
1 1 1   -8   26    8 o  249.366   3.0269  531.250   12.320 63.02286 6.053715 
1 1 1   -8   26    9 o  156.048   3.9338  241.171   11.781 6.288116 7.867507 
1 1 1   -8   26   10 o  126.303   4.9059  168.855   11.177 -15.92729 9.811800 
1 1 1   -8   26   11 o  164.317   3.5615  276.423   9.2436 -5.367767 7.123086 
1 1 1   -8   26   12 o  143.643   3.7604  208.877   8.4750 -2.073151 7.520792 
1 1 1   -8   26   13 o   26.844   7.7630   0.8457   7.4933 -8.511040 15.52605 
1 1 1   -8   26   14 o  200.755   3.0811  396.404   10.613 7.885406 6.162191 
1 1 1   -8   26   15 o   59.461   7.1176   60.246   9.2583 -64.23753 14.23522 
1 1 1   -8   26   16 o  217.903   3.5343  475.374   15.403      ?      ? 
1 1 1   -8   26   18 o   94.674   6.1245   92.706   9.4215 -3.253319 12.24908 
1 1 1   -8   26   19 o  155.935   3.9927  251.639   10.444 -8.353500 7.985363 
1 1 1   -8   26   20 o  130.181   4.6359  171.438   10.233 -1.311508 9.271835 
1 1 1   -8   26   21 o   90.830   6.5795   85.514   9.9555 -2.585625 13.15897 
1 1 1   -8   26   22 o  201.255   6.1076  409.572   24.584      ?      ? 
1 1 1   -8   26   23 o   85.503   7.0589   75.617   10.103 -2.041756 14.11783 
1 1 1   -8   26   24 o   87.251   7.6111   87.821   10.132 -18.32876 15.22224 
1 1 1   -8   26   25 o  117.627   4.9845  136.692   10.234 5.768196 9.968986 
1 1 1   -8   26   26 o   83.223   7.2066   73.915   9.9013 -7.387505 14.41320 
1 1 1   -8   26   27 o   99.186   6.0609   93.096   9.7963 12.50043 12.12186 
1 1 1   -8   27    1 o  281.735   3.4010  766.802   18.781 -50.68182 6.802097 
1 1 1   -8   27    2 o  214.178   3.6273  393.732   14.261 -115.7951 7.254550 
1 1 1   -8   27    3 o  296.164   3.5927  819.120   20.494 -77.31958 7.185467 
1 1 1   -8   27    4 o  223.917   3.6289  450.449   15.264 -105.3228 7.257844 
1 1 1   -8   27    5 o  201.329   5.2184  406.318   21.012      ?      ? 
1 1 1   -8   27    6 f  126.978   7.1486  162.643   18.154      ?      ? 
1 1 1   -8   27    7 o   24.682   7.7733  -3.8614   7.8248 -2.966272 15.54655 
1 1 1   -8   27    8 o  107.564   4.6546  125.093   8.0901 -14.09340 9.309104 
1 1 1   -8   27    9 o   84.193   5.5395   71.931   7.8319 -0.9890671 11.07893 
1 1 1   -8   27   10 o  114.757   4.6441  137.749   9.8179 -12.05478 9.288117 
1 1 1   -8   27   11 o  141.525   3.7902  203.090   8.2324 -2.298660 7.580476 
1 1 1   -8   27   12 f   61.717   8.5857   53.646   7.7207 -30.49032 17.17147 
1 1 1   -8   27   13 o   71.775   8.1164   89.612   8.3459 -66.07352 16.23273 
1 1 1   -8   27   14 o  283.030   3.1602  684.497   14.492 70.75101 6.320423 
1 1 1   -8   27   15 o  200.631   3.5206  428.498   12.133 -24.36743 7.041185 
1 1 1   -8   27   16 f  174.700   3.7378  319.821   10.916 -13.74197 7.475693 
1 1 1   -8   27   17 o  102.065   5.8421  115.312   9.0541 -15.22884 11.68417 
1 1 1   -8   27   18 o  111.779   4.9308  103.942   9.2706 36.30386 9.861659 
1 1 1   -8   27   19 o   83.415   7.1511   75.476   9.4605 -8.839165 14.30229 
1 1 1   -8   27   20 o   87.614   7.4961   81.868   12.287 -10.89948 14.99217 
1 1 1   -8   27   21 o   55.141   9.9563   31.822   9.7410 3.296516 19.91270 
1 1 1   -8   27   22 o   61.077   9.4229   43.320   9.8955 -12.63427 18.84573 
1 1 1   -8   27   23 o  181.317   3.7665  344.615   11.713 -14.93192 7.532933 
1 1 1   -8   27   24 f   66.180   8.9345   46.062   9.7921 -0.8389664 17.86896 
1 1 1   -8   27   25 o  118.231   4.8299  142.254   10.159 -2.129425 9.659777 
1 1 1   -8   27   26 o   47.236   10.385   24.422   9.7593 4.769371 20.76916 
1 1 1   -8   28    1 o  180.408   2.7156  338.575   8.3506 13.37054 5.431184 
1 1 1   -8   28    2 o  211.334   3.1246  448.063   13.185 16.82973 6.249168 
1 1 1   -8   28    3 o  192.283   3.2758  369.502   12.561 19.94301 6.551582 
1 1 1   -8   28    4 o  145.981   3.1472  207.305   8.3157 10.20735 6.294488 
1 1 1   -8   28    5 o  148.719   3.1328  214.900   8.3244 10.25769 6.265650 
1 1 1   -8   28    6 f  128.528   3.6311  164.573   8.1098 2.059547 7.262203 
1 1 1   -8   28    7 o  201.977   2.9135  398.668   10.327 10.58096 5.827068 
1 1 1   -8   28    8 o  150.275   3.4410  226.498   8.9620 0.3792877 6.881959 
1 1 1   -8   28    9 o   34.970   9.2878   4.4385   7.9826 22.99960 18.57553 
1 1 1   -8   28   10 o  138.807   4.2125  217.966   9.4193 -31.53249 8.425039 
1 1 1   -8   28   11 o  219.517   3.5183  484.688   15.064 -3.713181 7.036581 
1 1 1   -8   28   12 o   97.008   5.3529   79.644   8.6138 27.65312 10.70586 
1 1 1   -8   28   13 f  174.537   3.6056  333.275   10.472 -29.39113 7.211161 
1 1 1   -8   28   14 o  109.659   4.9154  126.979   8.5476 -8.583534 9.830822 
1 1 1   -8   28   15 o  105.188   9.1856  113.388   19.324      ?      ? 
1 1 1   -8   28   16 o  129.605   4.3961  167.192   9.1955 2.153091 8.792102 
1 1 1   -8   28   17 o  229.486   3.2532  524.362   12.807 3.857895 6.506375 
1 1 1   -8   28   18 f   99.298   6.1255  106.199   9.4418 -10.15616 12.25104 
1 1 1   -8   28   19 o  143.126   4.2488  205.277   10.184 1.499664 8.497503 
1 1 1   -8   28   20 o  113.685   5.2172  129.146   10.096 2.752701 10.43438 
1 1 1   -8   28   21 o  121.266   5.2288  149.060   10.403 -0.1220474 10.45751 
1 1 1   -8   28   22 o  105.351   6.0811  119.462   10.095 -10.80424 12.16219 
1 1 1   -8   28   23 o   86.479   6.6770   76.608   9.8008 -0.9980240 13.35400 
1 1 1   -8   28   24 o   62.872   8.6660   40.596   9.5554 2.176567 17.33193 
1 1 1   -8   29    1 f  131.064   6.2850  173.528   16.475      ?      ? 
1 1 1   -8   29    2 o  167.807   3.2941  285.447   10.512 4.418015 6.588270 
1 1 1   -8   29    3 o  297.431   3.4485  892.131   20.477 -0.5519104 6.897026 
1 1 1   -8   29    4 o   85.277   5.3430   83.258   7.7070 -22.68560 10.68609 
1 1 1   -8   29    5 o   33.089   13.501   5.6985   14.141      ?      ? 
1 1 1   -8   29    6 o  112.423   4.5503  151.279   8.3957 -47.76105 9.100585 
1 1 1   -8   29    7 o  157.865   5.0087  249.838   15.814      ?      ? 
1 1 1   -8   29    8 o  262.842   2.9246  671.018   14.152 19.76538 5.849258 
1 1 1   -8   29    9 f  187.977   3.1342  325.453   10.437 32.26660 6.268321 
1 1 1   -8   29   10 o  161.541   3.6195  282.543   10.187 -27.29143 7.239020 
1 1 1   -8   29   11 o   69.204   8.2595   63.272   8.7916 -34.22766 16.51895 
1 1 1   -8   29   12 o   75.378   7.3140   67.590   7.6833 -18.66988 14.62809 
1 1 1   -8   29   13 o   41.873   8.2105   21.237   7.6859 -19.12070 16.42093 
1 1 1   -8   29   14 o  176.110   5.7859  312.193   20.379      ?      ? 
1 1 1   -8   29   15 o   67.755   8.3557   51.324   8.4091 -9.092110 16.71139 
1 1 1   -8   29   16 o  147.379   4.0183  213.855   9.4639 5.277496 8.036540 
1 1 1   -8   29   17 o  105.375   5.9135  125.461   9.1901 -18.83447 11.82698 
1 1 1   -8   29   18 o   87.293   6.2280   68.783   9.1485 18.19205 12.45600 
1 1 1   -8   29   19 o  136.244   4.9186  188.175   12.804 0.5886230 9.837145 
1 1 1   -8   29   20 o  153.387   4.1667  243.743   10.816 -8.147873 8.333368 
1 1 1   -8   29   21 o   83.114   7.1343   72.219   9.9489 -3.392830 14.26855 
1 1 1   -8   29   22 o  141.822   7.2421  203.818   20.542      ?      ? 
1 1 1   -8   29   23 o   60.565   8.3776   41.812   8.8171 -11.73066 16.75523 
1 1 1   -8   30    1 o  255.915   4.9381  656.668   25.275      ?      ? 
1 1 1   -8   30    2 o  198.085   5.1431  393.631   20.375      ?      ? 
1 1 1   -8   30    3 o  284.753   3.3490  806.599   18.705 -11.83371 6.697957 
1 1 1   -8   30    4 o  256.073   2.8227  618.444   13.279 37.34755 5.645441 
1 1 1   -8   30    5 o  304.487   3.0213  942.510   17.537 -12.63257 6.042624 
1 1 1   -8   30    6 f  179.741   3.0602  338.557   10.060 -20.66460 6.120437 
1 1 1   -8   30    7 o  238.381   2.8414  584.399   12.921 -20.99557 5.682778 
1 1 1   -8   30    8 o  118.769   3.8399  138.090   8.4400 8.716774 7.679799 
1 1 1   -8   30    9 o  107.070   4.5694  120.300   8.4145 -8.578552 9.138779 
1 1 1   -8   30   10 o   74.488   7.5501   62.981   9.6714 -19.55876 15.10016 
1 1 1   -8   30   11 o  107.734   8.1599  117.632   17.582      ?      ? 
1 1 1   -8   30   12 o   81.568   6.8788   44.513   8.7333 99.12577 13.75766 
1 1 1   -8   30   13 o  202.241   3.0952  414.370   10.667 -3.087372 6.190326 
1 1 1   -8   30   14 o  108.550   4.7408  114.636   8.2728 6.363419 9.481599 
1 1 1   -8   30   15 o  182.262   3.3928  333.292   10.242 0.5178223 6.785589 
1 1 1   -8   30   16 f  102.016   5.7711  111.983   8.9549 -10.21541 11.54223 
1 1 1   -8   30   17 o   49.836   9.7470   27.855   8.9026 -5.125477 19.49398 
1 1 1   -8   30   18 o  129.692   4.6437  175.274   9.7795 -7.290138 9.287349 
1 1 1   -8   30   19 o  110.880   5.2335  124.420   9.7910 0.1160736 10.46702 
1 1 1   -8   30   20 o   91.994   6.0247   82.683   9.6083 6.823952 12.04948 
1 1 1   -8   30   21 o   46.117   9.8635   18.057   9.1502 21.54284 19.72709 
1 1 1   -8   30   22 o   59.272   14.103   65.994   16.499      ?      ? 
1 1 1   -8   31    1 f  249.966   4.9415  629.518   24.704      ?      ? 
1 1 1   -8   31    2 o  205.382   5.0861  425.192   20.892      ?      ? 
1 1 1   -8   31    4 o   77.326   4.4817   60.653   6.8838 -1.841591 8.963341 
1 1 1   -8   31    5 o   97.337   4.2362  101.017   7.5950 -16.48659 8.472411 
1 1 1   -8   31    6 o   60.916   7.7385   51.865   7.5975 -38.26704 15.47703 
1 1 1   -8   31    7 o  119.923   6.8414  145.184   16.409      ?      ? 
1 1 1   -8   31    8 o  137.080   3.6910  191.926   8.7616 -4.766327 7.382071 
1 1 1   -8   31    9 f   82.626   5.9255   71.193   8.2284 -4.436462 11.85099 
1 1 1   -8   31   10 o   36.395   8.9966   13.352   8.1168 -7.056278 17.99311 
1 1 1   -8   31   11 o  136.007   4.0754  188.387   10.542 -4.531723 8.150847 
1 1 1   -8   31   12 o   96.723   5.8460   98.514   10.417 -9.503868 11.69210 
1 1 1   -8   31   13 f  114.239   5.0616  150.793   8.3367 -24.78692 10.12319 
1 1 1   -8   31   14 o  187.120   3.3439  350.549   10.293 1.150665 6.687722 
1 1 1   -8   31   15 o   73.862   8.2994   67.788   8.4575 -22.52922 16.59887 
1 1 1   -8   31   16 o  150.461   4.0114  234.611   9.7480 -7.573029 8.022771 
1 1 1   -8   31   17 o  163.964   3.7376  279.024   10.279 -9.622543 7.475294 
1 1 1   -8   31   18 f  169.406   3.9838  283.446   13.150 14.71793 7.967514 
1 1 1   -8   31   19 o  127.031   4.1988  156.279   9.4298 10.38956 8.397576 
1 1 1   -8   31   20 o   98.230   5.2144  107.483   8.7724 -18.31290 10.42875 
1 1 1   -8   32    1 o  118.482   7.0221  142.026   16.640      ?      ? 
1 1 1   -8   32    2 o  161.558   5.6746  263.162   18.335      ?      ? 
1 1 1   -8   32    3 o   93.137   5.0546   87.392   9.4153      ?      ? 
1 1 1   -8   32    4 o   79.680   3.9459   63.659   6.2538 -11.59616 7.891768 
1 1 1   -8   32    5 o   22.105   6.7751 -11.1968   7.2816 -13.35789 13.55010 
1 1 1   -8   32    6 f   69.595   6.4795   54.462   7.5250 -14.67127 12.95896 
1 1 1   -8   32    7 o   51.766   8.2742   26.768   7.5660 7.394875 16.54832 
1 1 1   -8   32    8 o   68.361   7.5339   57.528   7.7876 -23.53755 15.06779 
1 1 1   -8   32    9 o   33.519   9.0407   9.1816   7.9292 -0.9115257 18.08136 
1 1 1   -8   32   10 o   42.343   9.7177   14.468   8.2081 18.57103 19.43536 
1 1 1   -8   32   11 o   77.591   6.9343   62.593   8.6128 -2.696571 13.86856 
1 1 1   -8   32   12 o   63.561   9.0746   43.360   10.387 -2.518204 18.14914 
1 1 1   -8   32   13 o   82.268   6.9287   65.822   10.778 14.00093 13.85741 
1 1 1   -8   32   14 o   78.440   6.5946   57.382   8.4411 11.46000 13.18926 
1 1 1   -8   32   15 o   67.352   8.2887   51.977   8.6732 -12.38278 16.57749 
1 1 1   -8   32   16 o  211.993   3.1572  451.922   11.808 -0.6879425 6.314469 
1 1 1   -8   32   17 f   94.121   5.3078   88.034   8.9728 3.931442 10.61552 
1 1 1   -8   32   18 o  105.664   4.6196  119.395   8.9414 -14.13434 9.239193 
1 1 1   -8   33    1 o  153.008   5.8361  236.550   17.859      ?      ? 
1 1 1   -8   33    2 o  147.628   6.0119  220.385   17.750      ?      ? 
1 1 1   -8   33    3 o  151.731   3.4380  231.077   10.433      ?      ? 
1 1 1   -8   33    4 o  102.514   4.6061  105.789   9.4439      ?      ? 
1 1 1   -8   33    5 o   93.458   3.5821   87.138   6.6615 10.64098 7.164272 
1 1 1   -8   33    6 o  149.154   2.9598  226.575   8.4021 -6.872116 5.919641 
1 1 1   -8   33    7 o  104.397   4.1037  101.918   7.8812 18.99430 8.207348 
1 1 1   -8   33    8 o  199.672   2.8995  390.377   10.358 11.13985 5.799091 
1 1 1   -8   33    9 o  124.453   3.9159  151.038   8.5928 8.644173 7.831758 
1 1 1   -8   33   10 o  141.297   3.7971  200.997   9.2476 0.1380310 7.594137 
1 1 1   -8   33   11 f   63.281   8.5930   46.320   8.8722 -13.23133 17.18599 
1 1 1   -8   33   12 f   63.307   8.7269   46.395   10.135 -18.98255 17.45378 
1 1 1   -8   33   13 o  109.780   5.0575  123.346   10.632 -4.006897 10.11502 
1 1 1   -8   33   14 o  144.276   4.0007  210.659   11.250 -2.807617 8.001372 
1 1 1   -8   33   15 o   93.080   5.1625   94.146   8.5801 -16.93726 10.32509 
1 1 1   -8   33   16 o   82.464   6.7425   59.724   8.7894 76.79372 13.48492 
1 1 1   -8   34    1 o  165.288   5.6434  276.271   18.656      ?      ? 
1 1 1   -8   34    2 o  152.676   3.4972  234.112   10.679      ?      ? 
1 1 1   -8   34    3 o  137.743   3.7365  190.676   10.293      ?      ? 
1 1 1   -8   34    4 o   60.537   7.6544   37.397   9.2674      ?      ? 
1 1 1   -8   34    5 o   65.988   7.1092   44.275   9.3825      ?      ? 
1 1 1   -8   34    6 o  117.101   3.1236  138.031   7.2985 -0.9190598 6.247211 
1 1 1   -8   34    7 o  102.486   4.1753  109.070   7.9963 -8.856064 8.350529 
1 1 1   -8   34    8 o   70.769   6.0599   47.891   8.0894 13.37904 12.11974 
1 1 1   -8   34    9 o   68.894   6.3939   46.905   8.1935 6.092186 12.78775 
1 1 1   -8   34   10 o  152.902   3.4378  237.342   9.4874 -3.632248 6.875586 
1 1 1   -8   34   11 o  131.207   4.2419  173.587   10.688 0.9861755E-01 8.483833 
1 1 1   -8   34   12 o   71.616   6.7721   52.051   9.5641 4.677002 13.54413 
1 1 1   -8   34   13 o  139.883   3.7401  192.031   10.280 31.22790 7.480246 
1 1 1   -8   35    1 o  197.091   5.3055  391.817   20.913      ?      ? 
1 1 1   -8   35    2 o  101.946   5.1345  104.750   10.469      ?      ? 
1 1 1   -8   35    3 o  104.465   4.8832  109.872   10.202      ?      ? 
1 1 1   -8   35    4 o  184.516   3.2896  341.451   12.140      ?      ? 
1 1 1   -8   35    5 o  159.565   3.5295  255.424   11.264      ?      ? 
1 1 1   -8   35    6 o  108.503   2.8866  114.422   6.1082 -15.07155 5.773183 
1 1 1   -8   35    7 o   97.124   3.8055   93.860   7.3446 13.56895 7.610979 
1 1 1   -8   35    8 f   99.411   4.2214   96.511   7.9930 10.33765 8.442745 
1 1 1   -8   35    9 o  101.107   4.4062  103.728   8.0829 -0.2580109 8.812387 
1 1 1   -8   35   10 o  118.557   4.3238  127.896   8.7852 46.42605 8.647610 
1 1 1   -8   36    1 o  159.491   3.7415  256.019   11.935      ?      ? 
1 1 1   -8   36    2 o  169.863   3.5885  290.545   12.191      ?      ? 
1 1 1   -8   36    3 o   92.093   5.5435   86.843   10.210      ?      ? 
1 1 1   -8   36    4 o  101.259   4.9262  108.571   9.9765      ?      ? 
1 1 1   -7    0    4 o  144.675   4.6360  210.057   13.384 -0.000000 0.000000 
1 1 1   -7    0    5 o  636.319   8.8017  4058.61  111.965 -0.000000 0.000000 
1 1 1   -7    0    6 o  364.868   5.3541  1333.02   39.052 -0.000000 0.000000 
1 1 1   -7    0    7 o  147.133   4.6465  217.229   13.643 -0.000000 0.000000 
1 1 1   -7    0    8 o  148.388   4.9010  221.018   14.510 -0.000000 0.000000 
1 1 1   -7    0    9 o  270.125   3.2642  730.354   17.620 -0.000000 0.000000 
1 1 1   -7    0   10 o  617.524   6.0793  3819.95   75.044 -0.000000 0.000000 
1 1 1   -7    0   11 o  273.420   3.4022  748.258   18.586 -0.000000 0.000000 
1 1 1   -7    0   13 o  386.054   4.1626  1491.48   32.116 -0.000000 0.000000 
1 1 1   -7    0   14 o  1046.45   10.186 10981.53  213.071 -0.000000 0.000000 
1 1 1   -7    0   16 o  664.711   6.5759  4416.86   87.238 -0.000000 0.000000 
1 1 1   -7    0   17 o  131.253   6.2193  179.193   15.733 -0.000000 0.000000 
1 1 1   -7    0   18 o  424.544   4.6736  1804.23   39.625 -0.000000 0.000000 
1 1 1   -7    0   19 o  645.800   6.4762  4175.70   83.574 -0.000000 0.000000 
1 1 1   -7    0   20 o  184.869   5.3960  345.068   19.803 -0.000000 0.000000 
1 1 1   -7    0   22 o  257.506   4.3730  664.524   22.481 -0.000000 0.000000 
1 1 1   -7    0   23 o  194.233   5.0181  379.199   19.433 -0.000000 0.000000 
1 1 1   -7    0   24 o  315.409   4.2662  996.884   26.888 -0.000000 0.000000 
1 1 1   -7    0   25 o  119.625   7.5036  147.129   17.657 -0.000000 0.000000 
1 1 1   -7    0   26 o   67.330   14.014   56.213   16.601 -0.000000 0.000000 
1 1 1   -7    0   27 o  278.768   4.1139  779.637   22.908 -0.000000 0.000000 
1 1 1   -7    0   28 o   68.249   13.289   56.732   15.650 -0.000000 0.000000 
1 1 1   -7    0   29 o  120.495   6.4495  148.834   15.331 -0.000000 0.000000 
1 1 1   -7    0   31 o   55.155   15.072   42.864   15.793 -0.000000 0.000000 
1 1 1   -7    0   32 o   23.288   11.095  -6.2789   14.316 -0.000000 0.000000 
1 1 1   -7    0   33 o  100.055   7.7223   99.899   15.169 -0.000000 0.000000 
1 1 1   -7    0   34 o   29.250   12.586  -7.1095   15.349 -0.000000 0.000000 
1 1 1   -7    0   35 o   58.074   14.436   45.160   15.416 -0.000000 0.000000 
1 1 1   -7    0   36 o   19.163   9.7481 -28.4934   15.903 -0.000000 0.000000 
1 1 1   -7    0   37 o  175.190   5.0562  310.053   17.511 -0.000000 0.000000 
1 1 1   -7    0   38 o   38.037   14.706   21.288   15.939 -0.000000 0.000000 
1 1 1   -7    0   39 o  106.866   7.5427  118.979   15.768 -0.000000 0.000000 
1 1 1   -7    0   40 o   61.590   12.995   53.088   13.932 -0.000000 0.000000 
1 1 1   -7    1    4 o  203.438   4.0100  414.179   16.316      ?      ? 
1 1 1   -7    1    5 o  505.234   5.0017  2558.46   50.539 -1.830078 10.00333 
1 1 1   -7    1    6 o  162.796   3.0817  264.794   10.025 -6.877945 6.163424 
1 1 1   -7    1    7 f  152.807   3.2113  233.860   9.8074 5.397324 6.422518 
1 1 1   -7    1    8 f  255.231   2.7076  654.362   13.164 -3.350769 5.415118 
1 1 1   -7    1    9 o  195.926   2.2652  384.166   8.8725 3.517303 4.530411 
1 1 1   -7    1   10 o  500.534   3.5374  2507.05   35.407 -4.532959 7.074755 
1 1 1   -7    1   11 o  169.473   3.6417  287.324   12.344      ?      ? 
1 1 1   -7    1   12 o  271.103   2.4446  735.177   13.254 1.980103 4.889110 
1 1 1   -7    1   13 f  605.005   4.2448  3663.65   51.363 -0.7451172 8.489623 
1 1 1   -7    1   14 o  788.173   5.4525  6220.38   85.950 1.054260 10.90505 
1 1 1   -7    1   15 o  612.280   4.2975  3751.65   52.622 -5.669250 8.595032 
1 1 1   -7    1   16 o  478.660   3.4958  2291.27   33.449 7.829498 6.991611 
1 1 1   -7    1   18 o  555.222   4.0107  3084.62   44.528 5.239685 8.021423 
1 1 1   -7    1   19 o  108.336   11.077  117.749   24.000      ?      ? 
1 1 1   -7    1   20 o  627.908   4.4764  3947.33   56.208 5.233093 8.952828 
1 1 1   -7    1   21 o  212.662   3.4256  453.456   14.540 -8.001938 6.851200 
1 1 1   -7    1   22 o  242.717   3.1142  589.775   15.113 -4.146851 6.228435 
1 1 1   -7    1   23 o  190.513   3.5951  363.592   13.693 -4.233765 7.190291 
1 1 1   -7    1   24 o  145.896   4.3830  213.507   12.774 -2.453812 8.766047 
1 1 1   -7    1   25 o  275.163   3.0261  758.190   16.649 -4.027802 6.052107 
1 1 1   -7    1   26 o  179.256   3.5496  322.085   12.725 -2.722992 7.099245 
1 1 1   -7    1   27 o   44.714   10.555   19.155   11.208 -6.729179 21.11036 
1 1 1   -7    1   28 o   31.533   9.4665  -1.2001   10.778 7.964973 18.93300 
1 1 1   -7    1   29 o  111.410   4.8072  124.970   10.710 -2.721985 9.614460 
1 1 1   -7    1   30 o  101.394   5.8142  103.642   11.772 -2.855934 11.62850 
1 1 1   -7    1   31 o   29.588   9.3291  -5.1763   11.156 3.691311 18.65821 
1 1 1   -7    1   32 o  109.858   4.8401  121.860   10.634 -0.6089249 9.680192 
1 1 1   -7    1   33 o  112.454   7.0429  127.276   15.840      ?      ? 
1 1 1   -7    1   34 o   25.492   11.939 -13.9029   15.234      ?      ? 
1 1 1   -7    1   35 o   88.015   6.3329   79.721   11.019 -13.65653 12.66575 
1 1 1   -7    1   36 o  144.196   4.1089  210.310   11.840 -7.817963 8.217759 
1 1 1   -7    1   37 o   80.807   7.0485   67.405   11.304 12.70875 14.09694 
1 1 1   -7    1   38 o   31.162   9.5110  -2.4788   11.258 8.744816 19.02208 
1 1 1   -7    1   39 o   52.650   10.130   30.169   11.148 12.00318 20.26067 
1 1 1   -7    1   40 o   63.168   11.112   51.399   13.972 16.90459 22.22320 
1 1 1   -7    2    4 o  354.245   5.1921  1256.46   36.785      ?      ? 
1 1 1   -7    2    5 o  222.992   2.9368  497.700   13.096 4.093185 5.873662 
1 1 1   -7    2    6 o  186.907   2.9463  349.694   11.011 3.320435 5.892672 
1 1 1   -7    2    7 f  168.796   3.0680  284.814   10.351 -6.313309 6.135906 
1 1 1   -7    2    8 o  332.338   3.0932  1108.25   19.450 -2.808563 6.186333 
1 1 1   -7    2    9 o  635.252   5.3949  4050.67   64.775 -3.659729 10.78975 
1 1 1   -7    2   10 o  273.195   3.3445  746.627   18.274      ?      ? 
1 1 1   -7    2   11 o  340.722   2.6379  1161.34   17.975 -2.878082 5.275797 
1 1 1   -7    2   12 o   47.039   11.861   23.082   11.164      ?      ? 
1 1 1   -7    2   13 o  590.337   4.1479  3487.46   48.967 5.249634 8.295727 
1 1 1   -7    2   14 o  567.143   4.0132  3218.54   45.518 3.803162 8.026347 
1 1 1   -7    2   15 o  562.419   3.9834  3165.48   44.806 0.6898193 7.966757 
1 1 1   -7    2   16 o  532.862   3.8212  2841.38   40.722 1.788269 7.642412 
1 1 1   -7    2   17 o  483.703   3.5626  2341.14   34.465 0.2843933 7.125291 
1 1 1   -7    2   18 o  293.564   2.9373  861.474   17.230 5.229919 5.874685 
1 1 1   -7    2   19 o  329.918   3.0028  1087.47   19.790 9.017944 6.005675 
1 1 1   -7    2   20 o  268.689   3.0350  722.087   16.295 2.398102 6.070014 
1 1 1   -7    2   22 o  337.263   3.0474  1137.85   20.547 5.165009 6.094833 
1 1 1   -7    2   23 o  298.952   3.0261  894.705   18.091 -3.605103 6.052181 
1 1 1   -7    2   24 o   79.631   7.7858   64.311   12.312 -6.653755 15.57154 
1 1 1   -7    2   25 o  220.503   3.2649  487.568   14.369 -5.632675 6.529788 
1 1 1   -7    2   26 o   85.825   6.9069   74.110   11.745 16.16285 13.81378 
1 1 1   -7    2   27 o  135.853   4.2806  185.555   11.598 -3.364014 8.561195 
1 1 1   -7    2   28 o  255.269   2.8512  653.122   14.554 -2.849228 5.702363 
1 1 1   -7    2   29 o  115.103   4.6353  133.600   10.637 10.64314 9.270689 
1 1 1   -7    2   31 o   32.458   9.7829   1.3412   11.154 0.2095261 19.56590 
1 1 1   -7    2   32 o  127.375   4.2193  163.423   10.746 -3.425209 8.438510 
1 1 1   -7    2   34 o   30.976   9.4872  -0.7351   10.815 1.489029 18.97437 
1 1 1   -7    2   35 o   82.915   9.6842   70.221   16.059      ?      ? 
1 1 1   -7    2   36 o  146.036   4.0255  215.720   11.746 -3.962494 8.050965 
1 1 1   -7    2   37 o   66.031   8.6836   47.564   11.014 -19.73718 17.36720 
1 1 1   -7    2   38 o   63.400   9.1187   43.773   11.167 -1.844746 18.23746 
1 1 1   -7    2   39 o  118.796   4.8138  143.042   11.413 -8.771202 9.627521 
1 1 1   -7    2   40 o   65.111   10.943   66.574   13.915 10.18093 21.88612 
1 1 1   -7    3    3 o  392.689   5.6669  1544.34   44.506      ?      ? 
1 1 1   -7    3    4 f  517.374   7.2202  2683.22   74.711      ?      ? 
1 1 1   -7    3    5 f  251.486   2.9946  630.177   15.017 13.75787 5.989248 
1 1 1   -7    3    6 o  355.822   3.6971  1267.33   26.306 -4.442413 7.394256 
1 1 1   -7    3    7 o  153.816   3.2772  236.643   10.074 8.414902 6.554336 
1 1 1   -7    3    8 o  408.768   3.6101  1669.69   27.765 1.957611 7.220161 
1 1 1   -7    3    9 o  114.100   3.9611  138.061   8.2394 -18.41248 7.922216 
1 1 1   -7    3   11 o  117.427   3.3315  138.516   7.7928 -7.585106 6.662910 
1 1 1   -7    3   12 o  358.365   2.7694  1284.13   19.840 5.469177 5.538880 
1 1 1   -7    3   13 o  432.892   3.1939  1874.75   27.649 2.217010 6.387721 
1 1 1   -7    3   15 o  412.252   3.0943  1700.18   25.511 2.089233 6.188693 
1 1 1   -7    3   16 o  148.433   3.5323  220.278   10.473 2.333481 7.064562 
1 1 1   -7    3   17 o  217.185   2.9980  471.836   13.011 0.7310944 5.996051 
1 1 1   -7    3   18 o  223.527   4.3460  499.874   19.429      ?      ? 
1 1 1   -7    3   19 o  483.750   3.6072  2340.28   34.882 10.40909 7.214484 
1 1 1   -7    3   20 o  366.734   3.1151  1345.73   22.848 3.508820 6.230228 
1 1 1   -7    3   21 o  418.521   3.3200  1752.91   27.788 -3.057648 6.639938 
1 1 1   -7    3   22 o  156.933   4.0757  246.661   12.791 -0.8880615 8.151405 
1 1 1   -7    3   23 o  147.675   4.3399  218.297   12.810 6.852615 8.679770 
1 1 1   -7    3   24 o  283.278   3.0337  803.504   17.180 -1.695251 6.067314 
1 1 1   -7    3   25 o  230.282   4.6853  531.081   21.579      ?      ? 
1 1 1   -7    3   26 f  145.648   4.2193  213.118   12.244 -1.853851 8.438666 
1 1 1   -7    3   27 o   44.974   10.501   19.475   10.981 6.641186 21.00288 
1 1 1   -7    3   28 o   56.396   9.6224   33.997   10.720 -3.103764 19.24485 
1 1 1   -7    3   29 f  102.213   5.2275  105.214   10.671 2.507141 10.45496 
1 1 1   -7    3   31 o   27.619   12.422  -5.9981   14.381      ?      ? 
1 1 1   -7    3   32 f   50.874   9.5201   26.966   10.222 19.37304 19.04013 
1 1 1   -7    3   33 o  187.673   4.4882  352.892   16.846      ?      ? 
1 1 1   -7    3   34 o  142.973   3.9586  206.179   11.292 0.1121674 7.917122 
1 1 1   -7    3   35 o   84.690   6.5946   74.407   10.952 -14.79055 13.18925 
1 1 1   -7    3   36 o   39.441   9.9412   12.112   10.990 -16.89183 19.88234 
1 1 1   -7    3   37 o  100.630   5.5369  103.559   11.095 -6.440269 11.07388 
1 1 1   -7    3   38 o   57.678   13.414   36.450   15.196      ?      ? 
1 1 1   -7    3   39 o  116.881   4.8079  138.234   11.238 -2.190331 9.615894 
1 1 1   -7    4    3 o  270.148   4.2752  730.419   23.099      ?      ? 
1 1 1   -7    4    4 o  126.330   4.7500  159.758   12.001      ?      ? 
1 1 1   -7    4    5 o  201.373   2.8962  405.220   11.652 -6.107819 5.792359 
1 1 1   -7    4    6 o  204.889   2.9491  419.933   12.081 6.505234 5.898163 
1 1 1   -7    4    7 o  187.975   3.0704  353.565   11.542 2.151871 6.140806 
1 1 1   -7    4    8 o  254.219   2.7201  647.206   13.042 -0.7296753 5.440137 
1 1 1   -7    4    9 o  633.206   5.3855  4009.81   64.107 3.016418 10.77094 
1 1 1   -7    4   10 o  238.660   2.8697  581.695   12.907 -15.57318 5.739322 
1 1 1   -7    4   11 o  396.588   2.9289  1573.39   23.229 2.522095 5.857848 
1 1 1   -7    4   12 o   60.690   9.4206   36.918   11.435      ?      ? 
1 1 1   -7    4   13 o  768.276   5.3136  5909.97   81.643 3.454590 10.62716 
1 1 1   -7    4   14 o  455.405   3.3505  2075.00   30.515 -0.8639832 6.700922 
1 1 1   -7    4   15 o  235.969   2.6474  557.327   12.487 -6.753922 5.294767 
1 1 1   -7    4   16 o  235.681   2.7719  555.771   13.058 -1.359741 5.543827 
1 1 1   -7    4   17 o  512.756   5.2833  2631.04   54.181      ?      ? 
1 1 1   -7    4   19 o  206.524   4.6536  426.831   19.221      ?      ? 
1 1 1   -7    4   20 o  215.178   3.9385  459.731   16.023 -5.187729 7.877021 
1 1 1   -7    4   21 o  116.520   5.3546  136.102   12.476 -1.673546 10.70916 
1 1 1   -7    4   22 o  271.090   3.0081  735.270   16.305 3.664948 6.016253 
1 1 1   -7    4   23 o  152.863   4.1728  234.179   12.746 -0.8885345 8.345654 
1 1 1   -7    4   24 o  284.427   3.0161  809.417   17.150 5.393433 6.032233 
1 1 1   -7    4   25 o  114.089   7.7531  130.731   17.691      ?      ? 
1 1 1   -7    4   26 o  334.949   2.9915  1122.89   20.030 9.589142 5.983036 
1 1 1   -7    4   27 o  204.937   3.1500  420.890   12.905 0.4462128 6.300028 
1 1 1   -7    4   28 o   51.928   9.8393   28.475   10.607 12.64158 19.67867 
1 1 1   -7    4   29 o   32.187   9.3977  -1.6620   10.854 13.93334 18.79535 
1 1 1   -7    4   31 o  111.579   4.9277  126.658   10.873 -6.051582 9.855364 
1 1 1   -7    4   32 o   73.299   7.1232   54.917   10.390 0.3997574 14.24636 
1 1 1   -7    4   34 o   49.758   10.071   26.453   10.527 7.956196 20.14157 
1 1 1   -7    4   35 o  126.737   4.4202  162.120   11.128 -1.881935 8.840314 
1 1 1   -7    4   36 o   45.561   10.436   21.764   10.905 -3.633396 20.87271 
1 1 1   -7    4   37 o   70.524   7.9068   51.478   11.063 1.518517 15.81361 
1 1 1   -7    4   38 o   51.888   10.225   29.833   11.163 -9.386665 20.44943 
1 1 1   -7    4   39 o  152.498   3.8079  233.592   11.574 5.000366 7.615702 
1 1 1   -7    5    3 o  338.408   4.9800  1146.49   33.705      ?      ? 
1 1 1   -7    5    4 o  145.108   4.3344  210.738   12.579      ?      ? 
1 1 1   -7    5    5 f   99.907   5.6154   99.948   11.220      ?      ? 
1 1 1   -7    5    6 o  137.347   3.4081  189.016   9.3474 2.941772 6.816279 
1 1 1   -7    5    7 o  144.583   4.7840  209.225   13.834      ?      ? 
1 1 1   -7    5    8 o  627.820   5.3491  3921.29   62.699 11.93573 10.69818 
1 1 1   -7    5    9 f  206.008   2.8144  431.039   10.961 -9.949371 5.628814 
1 1 1   -7    5   10 o  462.179   4.0488  2146.24   35.419 -5.652069 8.097585 
1 1 1   -7    5   11 o  390.762   2.9104  1527.53   22.742 1.563965 5.820721 
1 1 1   -7    5   12 f  457.837   3.3267  2097.27   30.461 -2.851837 6.653327 
1 1 1   -7    5   13 o  482.872   3.4902  2332.88   33.706 -2.325592 6.980378 
1 1 1   -7    5   14 o  130.883   5.2895  171.413   13.846      ?      ? 
1 1 1   -7    5   15 o  517.093   3.7066  2674.28   38.316 8.413513 7.413216 
1 1 1   -7    5   16 o  408.757   4.4511  1671.63   36.388      ?      ? 
1 1 1   -7    5   17 o  101.546   5.7197  103.355   11.609 -2.878609 11.43939 
1 1 1   -7    5   18 o  454.539   3.4410  2066.08   31.267 7.991821 6.882047 
1 1 1   -7    5   19 o  267.656   2.9818  716.431   15.951 3.857819 5.963571 
1 1 1   -7    5   20 o  334.339   4.3234  1118.52   28.910      ?      ? 
1 1 1   -7    5   21 o  239.635   3.1497  574.693   15.094 0.8816681 6.299466 
1 1 1   -7    5   22 o  149.993   4.2024  225.472   12.598 -6.273285 8.404728 
1 1 1   -7    5   23 o  226.410   3.1685  513.148   14.345 1.228058 6.337035 
1 1 1   -7    5   24 o   26.262   8.6536 -28.3178   12.042 14.75306 17.30716 
1 1 1   -7    5   25 f  170.809   3.8233  292.517   13.052 -1.161377 7.646672 
1 1 1   -7    5   26 o   37.166   10.405   7.8268   11.511 -1.949955 20.81086 
1 1 1   -7    5   27 o  213.771   3.0756  457.985   13.149 -0.4803009 6.151124 
1 1 1   -7    5   28 o   30.186   9.1632  -5.2292   10.660 12.13007 18.32645 
1 1 1   -7    5   29 o  177.533   3.5368  316.638   12.556 3.013275 7.073565 
1 1 1   -7    5   31 o   88.070   6.0847   78.514   10.699 7.341164 12.16946 
1 1 1   -7    5   32 f  137.254   4.1096  190.380   11.261 0.1950378 8.219275 
1 1 1   -7    5   34 o   54.679   9.5841   32.446   10.484 10.46735 19.16815 
1 1 1   -7    5   35 o  100.072   5.5726  102.135   11.069 -9.912437 11.14510 
1 1 1   -7    5   36 o   43.183   10.412   17.519   10.977 11.91041 20.82386 
1 1 1   -7    5   37 o   94.514   6.0307   91.484   11.265 -0.9069901 12.06132 
1 1 1   -7    5   38 o   89.171   6.4630   81.778   11.428 -2.032074 12.92596 
1 1 1   -7    5   39 o   90.338   6.1558   83.129   11.017 0.5878983 12.31168 
1 1 1   -7    6    2 o  255.309   4.1247  652.316   21.061      ?      ? 
1 1 1   -7    6    3 o  426.327   6.0386  1820.43   51.488      ?      ? 
1 1 1   -7    6    4 o  226.558   4.0303  513.636   18.262      ?      ? 
1 1 1   -7    6    5 o  262.385   4.3043  688.976   22.588      ?      ? 
1 1 1   -7    6    6 o  179.763   3.0955  323.368   11.122 8.381424 6.190934 
1 1 1   -7    6    7 o  341.938   3.1231  1171.53   20.175 -1.427155 6.246269 
1 1 1   -7    6    8 f  206.126   4.4633  425.149   18.400      ?      ? 
1 1 1   -7    6    9 o  227.420   2.8234  524.423   12.051 -9.162933 5.646751 
1 1 1   -7    6   10 o  488.014   4.2560  2379.22   38.987 2.604980 8.512021 
1 1 1   -7    6   11 o  141.831   6.3770  201.370   18.089      ?      ? 
1 1 1   -7    6   12 o   62.282   10.134   38.884   12.623      ?      ? 
1 1 1   -7    6   13 o  476.905   3.4601  2275.49   33.000 1.735138 6.920162 
1 1 1   -7    6   14 o  233.720   2.7491  545.957   12.834 3.893890 5.498277 
1 1 1   -7    6   15 o  283.705   3.7958  805.172   21.538      ?      ? 
1 1 1   -7    6   16 o  409.715   4.4883  1679.50   36.779      ?      ? 
1 1 1   -7    6   17 f  193.796   4.7352  375.779   18.353      ?      ? 
1 1 1   -7    6   18 o  248.647   2.9946  618.429   14.883 1.528015 5.989116 
1 1 1   -7    6   19 o  193.742   3.3929  375.740   13.132 -1.095917 6.785863 
1 1 1   -7    6   20 o  471.747   3.5661  2226.73   33.637 6.590546 7.132231 
1 1 1   -7    6   21 o  254.660   3.0503  649.041   15.535 -0.2809143E-01 6.100665 
1 1 1   -7    6   22 o   80.364   7.4528   65.107   11.929 8.698761 14.90557 
1 1 1   -7    6   23 o   88.014   6.8006   78.166   11.825 17.52563 13.60127 
1 1 1   -7    6   24 o  164.436   3.9292  270.677   12.903 2.417755 7.858461 
1 1 1   -7    6   25 o   86.632   6.9688   75.850   12.053 -3.733986 13.93756 
1 1 1   -7    6   26 o   43.318   10.640   17.320   11.298 0.1218758 21.28084 
1 1 1   -7    6   27 o   30.410   9.3444  -3.5767   10.818 6.541906 18.68876 
1 1 1   -7    6   28 o  103.466   5.2549  107.698   10.846 10.52444 10.50976 
1 1 1   -7    6   29 o  212.569   3.2532  453.599   13.819 2.427414 6.506397 
1 1 1   -7    6   31 o   84.265   6.3095   72.403   10.589 -7.751595 12.61909 
1 1 1   -7    6   32 o  150.199   3.8290  228.829   11.492 -1.611298 7.657987 
1 1 1   -7    6   34 o   98.629   5.3020   98.554   10.436 8.094368 10.60394 
1 1 1   -7    6   35 o   69.916   10.671   50.272   14.922      ?      ? 
1 1 1   -7    6   36 o  129.546   4.4060  169.682   11.399 1.072800 8.811983 
1 1 1   -7    6   37 o   37.106   10.211   9.6315   10.973 7.077579 20.42171 
1 1 1   -7    6   38 o   41.829   10.515   16.915   11.089 -0.8424301 21.03051 
1 1 1   -7    6   39 o   42.890   10.201   18.621   10.415 4.102444 20.40276 
1 1 1   -7    7    2 o  407.112   5.7899  1659.71   47.143      ?      ? 
1 1 1   -7    7    3 o  405.109   5.7708  1643.35   46.756      ?      ? 
1 1 1   -7    7    4 o  147.096   4.4617  216.540   13.126      ?      ? 
1 1 1   -7    7    5 o  275.746   4.4788  760.929   24.700      ?      ? 
1 1 1   -7    7    6 f  417.256   4.2330  1743.10   35.323 2.763672 8.465910 
1 1 1   -7    7    7 o  166.630   2.7924  275.844   8.7134 3.273987 5.584780 
1 1 1   -7    7    8 o  119.298   3.6844  146.412   8.1373 -9.286995 7.368766 
1 1 1   -7    7    9 o  412.570   3.6962  1706.46   28.718 -2.307220 7.392316 
1 1 1   -7    7   10 o  129.944   6.5232  169.043   16.953      ?      ? 
1 1 1   -7    7   11 f  459.089   4.0746  2102.17   35.057 4.316376 8.149274 
1 1 1   -7    7   12 o  268.129   2.5529  719.196   13.684 -0.7641602 5.105712 
1 1 1   -7    7   13 o  324.333   2.7431  1052.32   17.791 -5.876984 5.486099 
1 1 1   -7    7   14 o  134.258   5.8138  180.403   15.611      ?      ? 
1 1 1   -7    7   15 o  521.452   4.5968  2732.00   45.422 -6.261353 9.193675 
1 1 1   -7    7   16 o  452.667   4.8496  2050.30   43.905      ?      ? 
1 1 1   -7    7   18 f  243.240   3.0081  592.387   14.619 -3.927841 6.016186 
1 1 1   -7    7   19 o   85.217   7.0981   74.066   11.870 -16.98731 14.19621 
1 1 1   -7    7   20 o  365.619   3.0941  1337.81   22.622 -0.5380249 6.188188 
1 1 1   -7    7   21 o  289.756   2.9690  839.872   17.201 -8.795868 5.938031 
1 1 1   -7    7   22 o   91.682   6.4806   84.510   11.870 4.732101 12.96128 
1 1 1   -7    7   23 o  185.734   3.5346  345.504   13.125 -6.615128 7.069251 
1 1 1   -7    7   24 o  230.852   4.5191  533.651   20.865      ?      ? 
1 1 1   -7    7   25 o   71.747   8.6476   55.092   11.695 -25.27974 17.29525 
1 1 1   -7    7   26 o  297.340   2.8762  885.596   17.104 1.427368 5.752487 
1 1 1   -7    7   27 o  233.248   2.9153  545.365   13.595 -1.650085 5.830596 
1 1 1   -7    7   28 o   41.673   9.5995   13.106   10.555 24.00019 19.19898 
1 1 1   -7    7   29 o  278.891   4.3773  779.471   24.416      ?      ? 
1 1 1   -7    7   30 o   93.717   6.5493   90.072   12.215 8.604370 13.09864 
1 1 1   -7    7   31 o   47.594   10.002   23.994   10.258 -5.064960 20.00499 
1 1 1   -7    7   33 o  136.922   4.1716  189.433   11.416 -2.565659 8.343250 
1 1 1   -7    7   35 o  104.206   5.3456  110.887   11.103 -1.376488 10.69130 
1 1 1   -7    7   36 o   30.342   9.3893  -2.0492   10.897 -1.253128 18.77858 
1 1 1   -7    7   37 o  107.716   5.2495  117.167   11.252 13.81486 10.49895 
1 1 1   -7    7   38 o   61.035   9.3110   40.634   11.042 0.4891891 18.62209 
1 1 1   -7    7   39 o   36.644   9.5790   8.6675   10.187 -16.30875 19.15806 
1 1 1   -7    8    1 o  321.049   4.7811  1031.64   30.700      ?      ? 
1 1 1   -7    8    2 o  451.095   6.3572  2037.99   57.354      ?      ? 
1 1 1   -7    8    3 o  554.409   7.6997  3080.42   85.375      ?      ? 
1 1 1   -7    8    4 o  305.712   4.6940  935.328   28.701      ?      ? 
1 1 1   -7    8    5 o  307.094   4.7733  943.783   29.317      ?      ? 
1 1 1   -7    8    6 o  412.560   4.2093  1703.69   34.728 4.450867 8.418511 
1 1 1   -7    8    7 o  528.953   4.5443  2789.75   45.063 5.986755 9.088565 
1 1 1   -7    8    8 f  532.315   4.5918  2819.96   45.675 8.611755 9.183624 
1 1 1   -7    8    9 o  351.406   3.3083  1243.37   22.004 -7.029785 6.616566 
1 1 1   -7    8   10 o  663.831   5.6552  4399.36   70.457 5.857910 11.31037 
1 1 1   -7    8   11 f   82.423   10.986   68.119   18.110      ?      ? 
1 1 1   -7    8   12 o  131.058   7.3131  171.969   19.169      ?      ? 
1 1 1   -7    8   13 o  501.060   3.6132  2512.05   36.207 -4.512512 7.226343 
1 1 1   -7    8   14 o  441.431   4.6744  1949.66   41.269      ?      ? 
1 1 1   -7    8   15 o  385.009   4.3265  1483.01   33.315      ?      ? 
1 1 1   -7    8   16 o  479.882   5.0738  2304.33   48.697      ?      ? 
1 1 1   -7    8   17 f  353.103   3.0559  1246.80   21.573 6.661469 6.111810 
1 1 1   -7    8   18 o  211.644   4.5545  448.240   19.278      ?      ? 
1 1 1   -7    8   19 o  274.895   2.9754  754.235   16.338 15.31097 5.950718 
1 1 1   -7    8   20 o  226.353   3.1686  512.751   14.344 -2.122345 6.337164 
1 1 1   -7    8   21 f  276.983   2.9733  767.868   16.469 4.687958 5.946507 
1 1 1   -7    8   22 o  159.993   3.9589  256.718   12.648 10.14587 7.917782 
1 1 1   -7    8   23 f  187.113   3.5569  350.711   13.308 -4.365173 7.113754 
1 1 1   -7    8   24 o  364.488   3.0881  1330.13   22.505 4.040741 6.176266 
1 1 1   -7    8   25 o  129.874   4.4636  169.340   11.593 -0.5725250 8.927214 
1 1 1   -7    8   26 o  179.253   3.3657  322.103   12.065 1.208069 6.731422 
1 1 1   -7    8   27 o  120.456   4.5195  145.813   10.883 4.841209 9.039059 
1 1 1   -7    8   28 o  130.695   4.2265  171.686   11.042 5.516205 8.453037 
1 1 1   -7    8   30 o   55.364   9.9315   33.494   11.187 12.81352 19.86304 
1 1 1   -7    8   31 o   44.632   10.156   20.148   10.562 -9.833187 20.31103 
1 1 1   -7    8   32 o  244.402   4.4721  598.464   21.860      ?      ? 
1 1 1   -7    8   33 o  174.117   4.6510  304.999   16.196      ?      ? 
1 1 1   -7    8   34 o   90.093   6.1088   83.694   10.814 -9.233765 12.21751 
1 1 1   -7    8   35 o  128.651   4.4033  167.792   11.269 -1.592659 8.806647 
1 1 1   -7    8   36 o   95.261   5.9905   94.291   11.202 -12.54018 11.98097 
1 1 1   -7    8   37 o   94.193   6.0360   91.314   11.254 -3.693008 12.07204 
1 1 1   -7    8   38 o   54.377   9.9482   32.205   10.913 4.194202 19.89642 
1 1 1   -7    8   39 o   42.012   11.632   17.800   14.255 -2.506798 23.26308 
1 1 1   -7    9    1 o  518.206   7.2249  2690.19   74.880      ?      ? 
1 1 1   -7    9    2 o  656.911   9.0788  4327.28  119.279      ?      ? 
1 1 1   -7    9    3 o  344.609   5.0706  1188.55   34.947      ?      ? 
1 1 1   -7    9    4 o  309.334   4.7287  957.542   29.255      ?      ? 
1 1 1   -7    9    5 o  277.750   4.4905  771.909   24.945      ?      ? 
1 1 1   -7    9    6 o  157.713   3.3754  248.620   10.640 -4.567688 6.750823 
1 1 1   -7    9    7 o  384.605   3.4530  1479.05   25.018 0.7731934 6.906024 
1 1 1   -7    9    8 o  140.101   3.4841  203.615   9.0202 -14.42166 6.968241 
1 1 1   -7    9    9 o  452.422   3.9871  2057.08   34.163 -6.091156 7.974159 
1 1 1   -7    9   10 o  510.961   4.4370  2629.30   43.085 -10.45572 8.874001 
1 1 1   -7    9   11 o  633.368   5.4220  4010.33   64.576 2.715515 10.84410 
1 1 1   -7    9   12 o  215.854   3.3969  482.769   13.555 -21.52850 6.793711 
1 1 1   -7    9   13 o  259.535   5.2140  674.035   27.064      ?      ? 
1 1 1   -7    9   14 o  228.982   3.8778  524.518   17.759      ?      ? 
1 1 1   -7    9   17 o  237.066   4.2762  562.359   20.275      ?      ? 
1 1 1   -7    9   18 o  480.757   3.5843  2312.88   34.462 -5.565674 7.168670 
1 1 1   -7    9   19 f   75.990   7.8457   57.982   11.919 1.864250 15.69136 
1 1 1   -7    9   20 o  170.925   3.7251  292.437   12.732 2.311081 7.450173 
1 1 1   -7    9   21 o  468.742   3.5296  2199.40   33.082 6.950806 7.059183 
1 1 1   -7    9   22 o  230.729   3.1216  532.971   14.404 0.6685333 6.243217 
1 1 1   -7    9   23 o  202.821   4.7821  411.957   19.398      ?      ? 
1 1 1   -7    9   24 o  135.310   4.4199  183.775   11.960 2.398376 8.839816 
1 1 1   -7    9   25 o  113.914   4.8991  130.381   11.159 3.196442 9.798283 
1 1 1   -7    9   26 o   96.477   5.6709   93.870   10.934 -3.024925 11.34189 
1 1 1   -7    9   27 o  114.710   4.7116  132.428   10.809 0.8953323 9.423272 
1 1 1   -7    9   28 o   22.654   7.7510 -26.9075   10.896 6.212168 15.50207 
1 1 1   -7    9   30 o   82.247   6.2357   68.679   10.254 -1.016350 12.47132 
1 1 1   -7    9   31 o  202.412   4.4101  412.639   17.853      ?      ? 
1 1 1   -7    9   33 o   93.360   5.7979   88.553   10.792 4.535027 11.59570 
1 1 1   -7    9   34 o  177.750   4.5967  317.274   16.341      ?      ? 
1 1 1   -7    9   35 f   31.604   9.5937   0.3005   10.849 2.079117 19.18734 
1 1 1   -7    9   36 o   95.866   5.8603   93.306   11.165 4.722351 11.72064 
1 1 1   -7    9   37 f   83.007   6.8757   72.424   11.145 -12.75139 13.75138 
1 1 1   -7    9   38 f  103.005   5.4509  107.500   11.217 4.330818 10.90171 
1 1 1   -7   10    1 o  505.996   7.0624  2564.15   71.471      ?      ? 
1 1 1   -7   10    2 o  288.602   4.4816  833.404   25.868      ?      ? 
1 1 1   -7   10    3 o  494.413   6.9149  2447.79   68.376      ?      ? 
1 1 1   -7   10    4 o  480.358   6.7363  2310.35   64.717      ?      ? 
1 1 1   -7   10    5 o  569.954   7.9226  3253.97   90.311      ?      ? 
1 1 1   -7   10    6 o  500.010   4.9861  2501.87   49.843 10.36081 9.972221 
1 1 1   -7   10    7 o  661.134   5.6272  4353.20   69.570 10.15125 11.25431 
1 1 1   -7   10    8 o  547.897   4.7281  2977.20   48.235 13.59595 9.456175 
1 1 1   -7   10    9 o  203.726   5.0011  415.273   20.377      ?      ? 
1 1 1   -7   10   10 o  252.184   3.0360  633.592   14.192 2.731110 6.072079 
1 1 1   -7   10   11 o  303.547   3.1446  912.921   17.792 7.958282 6.289276 
1 1 1   -7   10   12 f  587.706   5.0794  3425.69   55.513 14.67657 10.15882 
1 1 1   -7   10   13 o  197.358   3.5480  391.625   12.921 -2.537918 7.096023 
1 1 1   -7   10   15 o  253.111   2.8422  641.306   14.378 -9.551102 5.684352 
1 1 1   -7   10   16 f  240.232   4.1088  577.417   19.741      ?      ? 
1 1 1   -7   10   17 f  325.807   2.9478  1057.84   19.155 16.75201 5.895627 
1 1 1   -7   10   18 o  390.481   3.1492  1525.50   24.581 2.600189 6.298340 
1 1 1   -7   10   19 o  410.367   3.2447  1685.57   26.629 -2.001038 6.489383 
1 1 1   -7   10   21 o  153.877   4.7500  239.579   14.037 5.345428 9.499932 
1 1 1   -7   10   22 o  129.712   4.6602  168.782   12.084 -3.113770 9.320383 
1 1 1   -7   10   23 o  255.352   2.9784  651.166   15.188 18.24046 5.956713 
1 1 1   -7   10   24 o  312.350   2.8902  977.182   18.054 -4.466095 5.780439 
1 1 1   -7   10   25 o  146.405   3.8987  214.939   11.407 8.050430 7.797461 
1 1 1   -7   10   26 o  168.953   3.4710  286.436   11.727 -1.488022 6.942031 
1 1 1   -7   10   27 o  138.696   3.9266  193.318   10.889 -2.203873 7.853267 
1 1 1   -7   10   28 o  214.459   3.1565  460.396   13.527 -12.83147 6.312943 
1 1 1   -7   10   29 o  257.805   2.9099  667.433   15.002 2.701263 5.819870 
1 1 1   -7   10   30 o  141.425   3.7804  201.326   10.686 -2.605698 7.560896 
1 1 1   -7   10   31 o  104.751   5.5420  111.670   11.509 -17.51936 11.08407 
1 1 1   -7   10   33 o   52.460   9.8229   29.953   10.467 5.134228 19.64589 
1 1 1   -7   10   34 o   99.386   5.5635  100.250   11.040 6.062889 11.12705 
1 1 1   -7   10   35 o   57.166   9.2753   34.379   10.910 25.39141 18.55060 
1 1 1   -7   10   36 o   29.278   9.2399  -4.5810   10.981 0.9799347 18.47978 
1 1 1   -7   10   37 f   38.875   9.9731   11.223   11.161 -16.50918 19.94619 
1 1 1   -7   10   38 o   58.640   9.0934   37.799   10.855 -27.42166 18.18684 
1 1 1   -7   11    1 o  320.932   4.7875  1030.61   30.729      ?      ? 
1 1 1   -7   11    2 o  340.921   5.0110  1163.05   34.167      ?      ? 
1 1 1   -7   11    3 o  274.714   4.3787  755.058   24.058      ?      ? 
1 1 1   -7   11    4 o  261.212   4.3091  682.647   22.512      ?      ? 
1 1 1   -7   11    5 o  462.697   6.5409  2143.23   60.530      ?      ? 
1 1 1   -7   11    6 o  144.523   3.8464  209.266   10.991 28.73825 7.692840 
1 1 1   -7   11    7 o  501.445   4.3373  2512.39   40.903 2.330811 8.674515 
1 1 1   -7   11    8 o  373.346   3.4288  1408.39   24.382 -12.48611 6.857695 
1 1 1   -7   11    9 o  649.625   5.5468  4183.95   67.027 17.10498 11.09353 
1 1 1   -7   11   10 o  294.927   3.0334  868.641   16.729 1.445984 6.066818 
1 1 1   -7   11   11 o  255.755   3.0215  660.074   14.452 -6.392929 6.043064 
1 1 1   -7   11   12 o  528.413   5.3090  2794.12   56.107      ?      ? 
1 1 1   -7   11   13 o  708.201   6.0638  4997.18   80.263 10.43884 12.12765 
1 1 1   -7   11   14 o  284.759   3.4177  831.963   18.377 -23.54269 6.835413 
1 1 1   -7   11   15 o  516.491   3.7418  2666.91   38.619 12.63647 7.483573 
1 1 1   -7   11   16 o  287.616   2.8239  827.674   16.243 -0.1277771 5.647738 
1 1 1   -7   11   17 o  281.465   4.1033  792.673   23.099      ?      ? 
1 1 1   -7   11   18 o  317.436   2.8981  1008.08   18.395 3.903381 5.796167 
1 1 1   -7   11   19 o  376.080   3.0768  1415.43   23.141 -4.414886 6.153529 
1 1 1   -7   11   20 o  103.825   5.5665  107.967   11.548 5.777504 11.13303 
1 1 1   -7   11   21 o   80.419   8.8374   61.326   13.410 -26.94991 17.67479 
1 1 1   -7   11   22 o  127.125   4.6901  162.056   11.924 -1.505264 9.380193 
1 1 1   -7   11   23 o  224.067   3.0520  502.817   13.675 -3.499527 6.104023 
1 1 1   -7   11   24 o  276.517   2.8339  765.702   15.671 -6.097107 5.667802 
1 1 1   -7   11   25 o  183.503   3.2715  337.746   12.000 -3.179153 6.542922 
1 1 1   -7   11   26 o  264.435   2.8252  700.892   14.941 0.4049377 5.650351 
1 1 1   -7   11   27 o  306.716   2.8675  943.798   17.587 1.142639 5.735017 
1 1 1   -7   11   28 o  169.869   4.9639  288.986   16.864      ?      ? 
1 1 1   -7   11   29 o   56.097   9.3007   33.758   10.264 4.527622 18.60135 
1 1 1   -7   11   30 o   79.926   6.4609   65.000   10.318 4.745667 12.92180 
1 1 1   -7   11   32 o  119.487   6.8167  144.622   16.290      ?      ? 
1 1 1   -7   11   33 o  191.697   3.1922  368.087   12.201 6.428024 6.384341 
1 1 1   -7   11   34 o  100.499   5.4341  103.220   10.876 -2.986595 10.86829 
1 1 1   -7   11   35 o  124.932   4.5238  158.556   11.221 -3.969711 9.047659 
1 1 1   -7   11   36 o  105.638   5.4043  115.155   11.262 -10.11878 10.80854 
1 1 1   -7   11   37 f   43.068   10.424   18.313   11.139 -9.037815 20.84800 
1 1 1   -7   11   38 o  108.953   4.9893  122.094   10.794 -12.63147 9.978699 
1 1 1   -7   12    1 o  386.531   5.5500  1495.23   42.905      ?      ? 
1 1 1   -7   12    2 o  423.460   6.0118  1794.81   50.915      ?      ? 
1 1 1   -7   12    3 o  276.162   4.4273  763.021   24.453      ?      ? 
1 1 1   -7   12    4 o  259.063   4.3833  671.441   22.711      ?      ? 
1 1 1   -7   12    5 o  151.945   4.9201  230.998   14.952      ?      ? 
1 1 1   -7   12    6 o  434.771   4.4342  1888.29   38.500 -14.38425 8.868485 
1 1 1   -7   12    7 o  312.308   3.0057  975.908   17.714 -0.1854858 6.011446 
1 1 1   -7   12    8 o  355.046   3.2879  1247.10   21.728 10.66336 6.575878 
1 1 1   -7   12    9 o  693.680   5.9182  4755.99   75.965 23.60925 11.83637 
1 1 1   -7   12   10 o  623.586   5.3517  3844.58   61.817 20.43481 10.70346 
1 1 1   -7   12   11 o   39.426   15.551   8.7135   18.038      ?      ? 
1 1 1   -7   12   12 o  212.730   3.3212  441.828   13.045 13.07744 6.642324 
1 1 1   -7   12   13 o  285.783   3.3581  839.726   18.119 -25.84198 6.716205 
1 1 1   -7   12   14 o  371.392   3.6639  1366.73   25.234 9.581665 7.327813 
1 1 1   -7   12   15 o  285.691   3.3905  825.060   18.345 -9.240051 6.781066 
1 1 1   -7   12   16 o  194.715   4.3854  379.376   17.078      ?      ? 
1 1 1   -7   12   17 o  476.064   3.5138  2267.81   33.447 6.920868 7.027513 
1 1 1   -7   12   18 o  316.501   2.8742  1002.44   18.192 0.9743652 5.748342 
1 1 1   -7   12   19 o  239.084   2.9652  571.925   14.175 3.582565 5.930339 
1 1 1   -7   12   20 o  143.213   4.0584  205.487   11.606 0.1726990 8.116826 
1 1 1   -7   12   21 o  179.732   4.0759  324.525   13.988 1.676056 8.151746 
1 1 1   -7   12   22 o   66.021   8.6619   45.132   11.157 -8.444458 17.32380 
1 1 1   -7   12   23 o  278.985   2.8486  779.442   15.891 -2.047882 5.697268 
1 1 1   -7   12   24 o  100.550   5.3743  101.730   10.805 -2.838814 10.74856 
1 1 1   -7   12   25 o  211.571   2.9757  448.738   12.590 -0.1936646 5.951480 
1 1 1   -7   12   26 o  108.547   4.8879  118.668   10.607 0.2301407 9.775752 
1 1 1   -7   12   27 o  173.738   4.8958  302.629   17.012      ?      ? 
1 1 1   -7   12   28 o  106.378   7.6113  114.534   16.194      ?      ? 
1 1 1   -7   12   29 o  190.391   3.0473  364.078   11.597 -6.827972 6.094690 
1 1 1   -7   12   30 o   39.154   9.6976   11.780   10.567 19.93633 19.39518 
1 1 1   -7   12   31 o  182.086   4.8230  332.981   17.564      ?      ? 
1 1 1   -7   12   32 o   35.338   9.8861   7.0100   10.457 9.129213 19.77225 
1 1 1   -7   12   33 o   81.338   8.7937   67.257   14.305      ?      ? 
1 1 1   -7   12   34 o   58.634   9.2256   36.915   10.610 16.32259 18.45121 
1 1 1   -7   12   35 o   31.388   9.4154  -2.0495   10.699 12.41519 18.83084 
1 1 1   -7   12   36 o   57.852   9.7139   36.340   11.016 5.152821 19.42776 
1 1 1   -7   12   37 o  119.121   4.7591  144.458   11.203 -5.820702 9.518296 
1 1 1   -7   13    1 o  337.429   5.0017  1139.22   33.755      ?      ? 
1 1 1   -7   13    2 o  285.971   4.5126  818.162   25.809      ?      ? 
1 1 1   -7   13    3 o  169.099   4.4042  286.066   14.895      ?      ? 
1 1 1   -7   13    4 o  670.397   9.2701  4502.91  124.293      ?      ? 
1 1 1   -7   13    5 o  482.640   6.7886  2331.86   65.529      ?      ? 
1 1 1   -7   13    6 o  267.427   2.8213  696.877   14.016 18.23135 5.642626 
1 1 1   -7   13    7 o  504.195   4.3736  2519.99   41.062 12.99924 8.747155 
1 1 1   -7   13    8 o  334.154   3.1952  1114.94   20.013 1.830383 6.390472 
1 1 1   -7   13    9 o  430.475   3.8533  1830.70   30.737 14.33420 7.706653 
1 1 1   -7   13   10 o  319.416   3.1943  1032.56   19.367 -12.08746 6.388515 
1 1 1   -7   13   11 o  317.257   3.3125  996.420   19.370 8.498352 6.625066 
1 1 1   -7   13   12 o  337.986   3.4447  1170.52   22.186 -29.14331 6.889381 
1 1 1   -7   13   13 o   98.391   6.7435  103.969   11.498 -15.09296 13.48697 
1 1 1   -7   13   14 o  146.648   7.6708  215.487   22.498      ?      ? 
1 1 1   -7   13   15 o  390.326   3.7817  1515.02   27.495 6.794647 7.563487 
1 1 1   -7   13   16 o  288.305   3.5134  836.276   18.774 -4.084351 7.026731 
1 1 1   -7   13   17 o  708.165   4.9512  5025.01   70.115 6.376282 9.902358 
1 1 1   -7   13   18 o  776.164   5.4076  6037.52   83.891 15.68799 10.81524 
1 1 1   -7   13   19 o  709.245   4.9690  5042.99   70.465 9.634155 9.938052 
1 1 1   -7   13   20 o   79.415   6.8833   63.306   10.920 5.029602 13.76666 
1 1 1   -7   13   21 o  316.193   4.1096  1000.97   25.989      ?      ? 
1 1 1   -7   13   22 o   96.772   5.5394   94.273   10.715 -1.609779 11.07888 
1 1 1   -7   13   23 o   66.886   7.9612   46.449   10.267 14.02031 15.92246 
1 1 1   -7   13   24 o  282.920   2.7497  801.836   15.558 2.444702 5.499471 
1 1 1   -7   13   25 f  278.601   2.7687  777.991   15.426 -3.632111 5.537338 
1 1 1   -7   13   26 o   88.676   6.0917   79.721   10.757 11.46721 12.18347 
1 1 1   -7   13   28 o   85.879   5.9941   74.607   10.273 3.306030 11.98827 
1 1 1   -7   13   29 f   71.017   7.3651   51.862   10.413 -5.118683 14.73010 
1 1 1   -7   13   31 o  142.952   5.9638  206.403   17.051      ?      ? 
1 1 1   -7   13   32 o   74.667   7.2023   58.423   10.498 -11.83342 14.40464 
1 1 1   -7   13   33 o   26.973   8.6997  -9.3253   10.643 -5.027710 17.39930 
1 1 1   -7   13   34 o  104.881   5.1722  112.721   10.750 -8.414276 10.34446 
1 1 1   -7   13   35 o  134.507   4.2290  182.295   11.286 5.005264 8.458089 
1 1 1   -7   13   36 o   41.852   10.393   16.009   10.857 11.12085 20.78637 
1 1 1   -7   13   37 o  123.491   4.4326  156.142   10.761 -9.871162 8.865145 
1 1 1   -7   14    1 o  291.577   3.3301  848.637   19.394 19.96024 6.660106 
1 1 1   -7   14    2 o  383.340   5.5524  1470.57   42.569      ?      ? 
1 1 1   -7   14    3 o  363.373   5.3217  1321.30   38.675      ?      ? 
1 1 1   -7   14    4 o  246.659   4.3042  608.681   21.233      ?      ? 
1 1 1   -7   14    5 o  599.006   8.3251  3594.23   99.736      ?      ? 
1 1 1   -7   14    6 o  643.055   6.3291  4141.86   81.381 10.75763 12.65821 
1 1 1   -7   14    7 o  726.098   6.2126  5161.59   82.496 39.71240 12.42514 
1 1 1   -7   14    8 o  685.389   9.5167  4708.02  130.453      ?      ? 
1 1 1   -7   14    9 o  300.613   3.1461  911.251   17.838 -7.278442 6.292128 
1 1 1   -7   14   11 o  312.545   5.3579  977.526   33.491      ?      ? 
1 1 1   -7   14   12 f  287.568   3.3454  835.879   17.838 -7.928101 6.690703 
1 1 1   -7   14   13 o   89.831   8.6349  101.108   11.623 -39.15571 17.26977 
1 1 1   -7   14   14 o  490.655   4.4088  2381.80   40.013 14.94128 8.817685 
1 1 1   -7   14   15 o  205.736   3.7267  433.968   14.070 -13.03276 7.453324 
1 1 1   -7   14   16 o  188.952   3.8828  360.123   13.436 -3.579727 7.765617 
1 1 1   -7   14   17 o  266.834   3.4254  714.653   16.935 -1.933929 6.850741 
1 1 1   -7   14   18 o  142.488   3.8732  203.479   10.997 -0.8628387 7.746476 
1 1 1   -7   14   19 o  280.831   2.7999  789.415   15.720 0.8294678E-01 5.599847 
1 1 1   -7   14   20 o  295.955   4.0750  876.849   24.120      ?      ? 
1 1 1   -7   14   21 f  273.918   3.3746  757.632   17.678 7.402863 6.749218 
1 1 1   -7   14   22 o  242.599   2.7523  589.429   13.353 -1.423462 5.504603 
1 1 1   -7   14   23 o  149.333   3.5454  223.569   10.583 7.157288 7.090765 
1 1 1   -7   14   24 o  122.482   4.1316  150.668   10.117 2.674438 8.263262 
1 1 1   -7   14   25 o  137.712   3.7850  190.005   10.410 8.002182 7.569968 
1 1 1   -7   14   27 o  252.176   2.9368  637.298   14.757 6.966156 5.873526 
1 1 1   -7   14   28 o   85.788   5.9541   74.296   10.164 4.301796 11.90813 
1 1 1   -7   14   29 f   85.407   6.8328   77.432   11.090 32.20042 13.66551 
1 1 1   -7   14   30 o  164.173   3.7529  271.599   12.293 -10.32091 7.505792 
1 1 1   -7   14   31 o  160.635   3.5748  260.886   11.410 -4.986740 7.149627 
1 1 1   -7   14   32 o  185.048   3.2255  344.798   11.880 -5.639114 6.451065 
1 1 1   -7   14   33 o   64.740   8.4094   43.921   10.587 14.63659 16.81880 
1 1 1   -7   14   34 o  113.045   4.8827  130.999   10.877 -8.463211 9.765365 
1 1 1   -7   14   35 f   48.398   10.349   25.185   10.736 2.367409 20.69703 
1 1 1   -7   14   36 o  192.903   3.2561  374.264   12.419 -0.5720825 6.512248 
1 1 1   -7   14   37 o   83.247   9.1168   76.914   15.179      ?      ? 
1 1 1   -7   15    1 o  329.290   3.5907  1080.00   23.593 24.65808 7.181369 
1 1 1   -7   15    2 o  537.713   7.5142  2895.38   80.810      ?      ? 
1 1 1   -7   15    3 o  413.210   5.9184  1708.90   48.911      ?      ? 
1 1 1   -7   15    4 o  333.861   5.0799  1115.33   33.920      ?      ? 
1 1 1   -7   15    5 o  616.789   8.5868  3811.13  105.925      ?      ? 
1 1 1   -7   15    6 o  607.510   6.0101  3697.31   73.023 1.552063 12.02012 
1 1 1   -7   15    7 o  113.103   7.4078  128.102   16.757      ?      ? 
1 1 1   -7   15    9 o  287.721   3.1586  823.453   16.840 4.332153 6.317206 
1 1 1   -7   15   10 f  174.733   3.5459  299.495   11.400 8.605301 7.091784 
1 1 1   -7   15   11 o  457.682   4.1019  2099.50   35.317 -1.683228 8.203785 
1 1 1   -7   15   12 o  240.649   3.3445  594.374   14.935 -17.35744 6.688931 
1 1 1   -7   15   13 o  281.780   3.3427  790.393   17.355 3.742889 6.685400 
1 1 1   -7   15   14 o  343.624   3.5025  1182.61   22.429 -0.6669312 7.004909 
1 1 1   -7   15   15 o  381.147   3.6583  1456.74   26.240 -1.931824 7.316582 
1 1 1   -7   15   16 o   98.992   6.6842  102.498   11.730 -9.442513 13.36846 
1 1 1   -7   15   17 o   49.214   10.591   25.831   11.572 -11.71403 21.18204 
1 1 1   -7   15   18 o  129.721   5.0375  166.753   12.140 4.057716 10.07499 
1 1 1   -7   15   19 o  260.130   2.7882  677.226   14.502 -8.577347 5.576466 
1 1 1   -7   15   20 o  211.195   2.9452  446.535   12.429 2.160370 5.890435 
1 1 1   -7   15   21 o  110.529   5.5385  124.138   11.715 4.228676 11.07706 
1 1 1   -7   15   22 o   30.008   9.1019  -0.5595   9.7969 -0.4815960 18.20384 
1 1 1   -7   15   23 o   72.155   6.7259   52.811   9.6705 7.574982 13.45186 
1 1 1   -7   15   24 o   88.563   5.4089   78.953   9.5688 5.941528 10.81781 
1 1 1   -7   15   25 o   80.263   6.8685   65.031   10.797 22.34620 13.73701 
1 1 1   -7   15   27 o  256.205   2.7547  656.263   14.061 8.656876 5.509429 
1 1 1   -7   15   28 o  115.443   4.5132  135.520   10.327 -5.273811 9.026414 
1 1 1   -7   15   29 o  201.071   3.3538  400.395   13.229 -55.11850 6.707582 
1 1 1   -7   15   30 o  124.599   4.4286  156.531   10.997 3.674904 8.857183 
1 1 1   -7   15   31 o  169.654   3.3701  285.290   11.331 17.11316 6.740255 
1 1 1   -7   15   32 o   22.245   7.5847 -20.0344   9.9626 1.464018 15.16937 
1 1 1   -7   15   33 o   48.138   9.9306   25.242   10.077 -1.242760 19.86115 
1 1 1   -7   15   34 o   37.064   9.9988   11.209   10.179 1.521347 19.99759 
1 1 1   -7   15   35 o   47.963   10.140   23.742   10.441 12.61248 20.28075 
1 1 1   -7   15   36 o   67.051   7.7538   47.497   9.9863 -4.958565 15.50754 
1 1 1   -7   16    1 o  407.549   4.2066  1629.77   33.768 -44.04486 8.413267 
1 1 1   -7   16    2 o  414.822   4.2683  1719.66   35.355 -10.76944 8.536588 
1 1 1   -7   16    3 o  612.718   8.5296  3761.16  104.524      ?      ? 
1 1 1   -7   16    4 o  290.532   4.8549  844.594   28.210      ?      ? 
1 1 1   -7   16    5 o  602.882   8.4379  3641.18  101.741      ?      ? 
1 1 1   -7   16    6 o  394.098   4.2033  1535.36   32.875 38.11636 8.406558 
1 1 1   -7   16    7 o  406.912   6.0505  1657.23   49.241      ?      ? 
1 1 1   -7   16    8 o  201.151   5.4459  404.953   21.909      ?      ? 
1 1 1   -7   16    9 o  593.457   5.1141  3513.33   56.817 6.717773 10.22821 
1 1 1   -7   16   10 o  304.551   3.2482  935.163   18.414 -6.440247 6.496314 
1 1 1   -7   16   11 f  474.169   6.9503  2251.85   65.913      ?      ? 
1 1 1   -7   16   12 o  418.580   3.8763  1759.69   30.453 -4.092529 7.752617 
1 1 1   -7   16   13 o  393.450   3.7230  1543.60   27.296 4.160431 7.446064 
1 1 1   -7   16   14 o  154.286   4.1276  240.788   11.647 -3.947739 8.255281 
1 1 1   -7   16   15 f  225.862   3.4284  521.336   14.221 -12.28729 6.856773 
1 1 1   -7   16   16 o  314.486   3.3995  996.377   19.981 -5.599976 6.799074 
1 1 1   -7   16   17 o  200.072   3.6185  400.224   13.454 0.8383636 7.237022 
1 1 1   -7   16   18 o  177.519   6.5028  315.978   23.088      ?      ? 
1 1 1   -7   16   19 o  146.232   4.5989  216.829   12.411 -4.137833 9.197803 
1 1 1   -7   16   20 o  120.463   4.1407  145.591   9.9708 0.9455109E-01 8.281369 
1 1 1   -7   16   21 o  181.693   3.5661  328.211   12.424 -5.236465 7.132283 
1 1 1   -7   16   22 o  122.978   3.9591  152.003   9.7275 -5.787521 7.918167 
1 1 1   -7   16   23 o  106.759   4.5065  114.952   9.5870 -10.29317 9.012988 
1 1 1   -7   16   24 o  162.250   3.3386  264.201   10.827 5.054642 6.677219 
1 1 1   -7   16   26 o   75.020   6.5816   57.345   9.8490 -0.3325043 13.16313 
1 1 1   -7   16   27 o  116.703   4.2127  137.355   9.8142 -2.653511 8.425493 
1 1 1   -7   16   28 o  129.071   4.1563  167.407   10.725 0.5483704 8.312617 
1 1 1   -7   16   29 o  168.913   3.4315  286.884   11.564 2.264038 6.862961 
1 1 1   -7   16   30 o  124.961   4.2106  157.422   10.365 1.606606 8.421240 
1 1 1   -7   16   31 o  105.585   4.9391  111.693   10.299 5.912041 9.878288 
1 1 1   -7   16   32 o   30.744   9.3159   0.5523   10.181 -0.4608116 18.63172 
1 1 1   -7   16   33 o  133.589   4.0470  178.797   10.660 6.145248 8.093923 
1 1 1   -7   16   34 o   53.884   9.4365   32.993   10.298 -15.30622 18.87306 
1 1 1   -7   16   35 o   87.094   6.1715   78.556   10.545 -9.567528 12.34292 
1 1 1   -7   16   36 o   63.675   7.1510   45.549   8.8046 -6.318359 14.30200 
1 1 1   -7   17    1 o  422.761   4.3616  1788.98   36.871 1.035889 8.723236 
1 1 1   -7   17    2 o  426.428   4.3982  1818.48   37.468 -7.419891 8.796469 
1 1 1   -7   17    3 o  451.460   6.4753  2040.21   58.467      ?      ? 
1 1 1   -7   17    4 f  313.687   5.0487  984.620   31.674      ?      ? 
1 1 1   -7   17    5 o  328.353   5.2676  1078.99   34.593      ?      ? 
1 1 1   -7   17    6 o  313.486   3.6859  983.132   23.102 5.640472 7.371849 
1 1 1   -7   17    7 o  137.169   4.0503  201.106   9.8041 -21.33488 8.100574 
1 1 1   -7   17    8 o  148.517   3.8829  228.498   10.275 -11.88464 7.765819 
1 1 1   -7   17    9 o  271.104   3.1285  709.623   15.376 21.96585 6.257045 
1 1 1   -7   17   10 o  236.104   3.2296  562.487   14.027 -5.109146 6.459256 
1 1 1   -7   17   11 o  218.692   3.2916  479.317   13.229 -0.8155518 6.583170 
1 1 1   -7   17   12 o  410.234   3.7926  1675.72   28.986 6.011139 7.585118 
1 1 1   -7   17   13 o  291.084   3.2403  863.557   17.733 -16.23956 6.480593 
1 1 1   -7   17   14 o  377.543   3.6305  1417.59   25.395 6.650024 7.260953 
1 1 1   -7   17   15 o  203.288   3.5286  428.512   13.122 -18.90865 7.057117 
1 1 1   -7   17   16 o  164.106   3.9781  277.152   11.996 -11.89380 7.956255 
1 1 1   -7   17   17 o  241.793   3.3514  565.299   14.888 20.45352 6.702732 
1 1 1   -7   17   18 o  301.743   3.3604  912.098   18.927 0.2551270E-01 6.720762 
1 1 1   -7   17   19 f  164.176   4.0404  271.488   12.155 -1.887680 8.080841 
1 1 1   -7   17   20 o  203.730   3.5220  415.247   13.169 0.9289551 7.043919 
1 1 1   -7   17   21 o  223.944   3.4047  509.462   14.055 -7.820129 6.809495 
1 1 1   -7   17   22 o   68.045   6.8423   47.397   9.2129 -9.395237 13.68456 
1 1 1   -7   17   23 f  100.893   6.7767  102.728   13.674      ?      ? 
1 1 1   -7   17   24 o  209.070   4.1558  437.552   17.377      ?      ? 
1 1 1   -7   17   25 o   33.707   9.5203   6.3467   9.7658 4.847559 19.04067 
1 1 1   -7   17   26 o   87.106   5.3160   76.786   9.2598 -0.5228729 10.63207 
1 1 1   -7   17   27 o  123.348   4.1711  154.871   10.245 -12.13105 8.342135 
1 1 1   -7   17   28 f  115.062   6.4012  133.206   14.731      ?      ? 
1 1 1   -7   17   29 o   50.385   9.3088   28.001   9.5485 -7.792118 18.61760 
1 1 1   -7   17   30 o   73.583   6.8375   54.973   9.9559 1.459595 13.67510 
1 1 1   -7   17   31 o  131.155   4.1245  175.582   10.570 -7.039612 8.248924 
1 1 1   -7   17   32 f  126.298   4.4078  162.521   10.821 -4.223190 8.815631 
1 1 1   -7   17   33 o   40.599   9.7437   16.076   10.302 -14.29986 19.48735 
1 1 1   -7   17   34 o  106.232   5.2244  118.260   10.701 -15.92641 10.44872 
1 1 1   -7   17   35 o   56.517   9.2238   34.584   10.167 2.643360 18.44757 
1 1 1   -7   18    1 o  350.126   4.7778  263.522   14.339 -427.2100 9.555666 
1 1 1   -7   18    2 o  415.039   4.8004  636.740   20.208 -376.9405 9.600772 
1 1 1   -7   18    3 o  299.013   3.5481  892.154   21.155 -11.07001 7.096188 
1 1 1   -7   18    4 o  372.436   5.6007  1388.55   41.718      ?      ? 
1 1 1   -7   18    5 o  115.897   7.3073  134.552   16.938      ?      ? 
1 1 1   -7   18    6 o  326.676   3.7401  1067.80   24.431 -4.528839 7.480218 
1 1 1   -7   18    7 o  273.880   3.0608  745.878   15.412 4.256897 6.121662 
1 1 1   -7   18    8 o  388.220   3.6053  1510.54   26.243 -1.573669 7.210674 
1 1 1   -7   18    9 o  747.183   10.389  5607.15  155.248      ?      ? 
1 1 1   -7   18   10 o  307.292   3.2349  940.805   18.401 3.600525 6.469806 
1 1 1   -7   18   11 o  181.212   3.6310  342.134   11.878 -18.10283 7.261963 
1 1 1   -7   18   12 o  633.313   5.4661  3978.18   64.175 17.97400 10.93211 
1 1 1   -7   18   13 o  426.287   3.8915  1821.02   31.118 -0.7287292 7.783082 
1 1 1   -7   18   14 o  368.694   3.5539  1366.58   24.571 -4.237335 7.107811 
1 1 1   -7   18   15 o   48.278   8.5852   26.897   10.581 -34.05703 17.17047 
1 1 1   -7   18   16 o  372.456   3.6229  1375.51   24.941 9.660187 7.245849 
1 1 1   -7   18   17 o   73.671   8.6628   58.057   10.908 -7.733887 17.32560 
1 1 1   -7   18   18 o  163.271   3.9260  268.994   11.693 -2.655792 7.852066 
1 1 1   -7   18   19 o  163.440   3.8740  272.205   11.544 -6.595291 7.747959 
1 1 1   -7   18   20 o   43.437   10.115   19.268   10.326 -8.643204 20.22901 
1 1 1   -7   18   21 o   49.156   10.345   25.957   10.621 -5.623604 20.69033 
1 1 1   -7   18   22 o   27.364   12.981 -22.2172   19.168      ?      ? 
1 1 1   -7   18   23 o  278.713   3.9440  777.599   21.985      ?      ? 
1 1 1   -7   18   24 o   74.502   9.3363   56.781   13.911      ?      ? 
1 1 1   -7   18   25 o   95.463   4.9248   92.154   9.3890 -2.481918 9.849536 
1 1 1   -7   18   26 o   31.717   8.8132   2.5446   9.3324 -15.44063 17.62634 
1 1 1   -7   18   27 o  150.068   4.9374  225.743   14.819      ?      ? 
1 1 1   -7   18   28 o  134.241   3.7808  181.204   10.122 4.088333 7.561593 
1 1 1   -7   18   29 o   45.290   9.7950   21.344   9.6174 4.773132 19.59005 
1 1 1   -7   18   30 o  113.465   4.5737  129.657   10.294 6.552536 9.147314 
1 1 1   -7   18   31 o  108.865   4.8899  119.743   10.493 2.534332 9.779771 
1 1 1   -7   18   32 f  106.705   5.0089  117.747   10.405 -9.749161 10.01782 
1 1 1   -7   18   33 o  113.800   4.6572  133.000   10.345 -8.184860 9.314406 
1 1 1   -7   18   34 o  107.086   4.9285  117.344   10.266 -5.679665 9.857089 
1 1 1   -7   19    1 o  404.311   4.2402  1625.70   34.096 -24.07925 8.480434 
1 1 1   -7   19    2 o  451.275   4.6217  2039.36   41.704 0.7263184E-01 9.243330 
1 1 1   -7   19    3 o  503.290   5.0857  2537.34   51.186 -1.639130 10.17146 
1 1 1   -7   19    4 o  304.956   5.0672  930.836   30.905      ?      ? 
1 1 1   -7   19    5 o  406.572   6.0557  1655.31   49.241      ?      ? 
1 1 1   -7   19    6 o  464.522   4.7621  2157.48   44.177 16.09357 9.524122 
1 1 1   -7   19    7 o  246.569   3.0246  591.826   13.408 15.02864 6.049242 
1 1 1   -7   19    8 o  219.166   3.0784  484.353   12.258 -4.050827 6.156800 
1 1 1   -7   19    9 o  171.188   3.4323  284.025   10.452 11.66858 6.864676 
1 1 1   -7   19   10 o  145.491   4.1270  218.994   10.329 -9.680176 8.253919 
1 1 1   -7   19   11 o  177.701   3.5913  319.786   11.316 -4.481949 7.182502 
1 1 1   -7   19   12 o  300.421   3.2576  902.170   17.975 1.110687 6.515231 
1 1 1   -7   19   13 o   33.922   9.3275   5.4503   10.086 -10.63873 18.65499 
1 1 1   -7   19   14 o  235.725   3.2393  560.014   14.051 -4.075119 6.478589 
1 1 1   -7   19   15 o  242.503   3.2144  585.762   14.349 3.281860 6.428704 
1 1 1   -7   19   16 o   55.957   9.5772   35.079   10.218 -13.25287 19.15449 
1 1 1   -7   19   17 o  113.895   5.3016  131.812   10.671 -2.924538 10.60322 
1 1 1   -7   19   18 o  191.435   3.5937  365.208   12.313 2.471451 7.187324 
1 1 1   -7   19   19 o   40.814   9.8680   16.192   10.071 -9.909626 19.73593 
1 1 1   -7   19   20 o  157.953   3.9494  251.681   11.230 -1.849350 7.898707 
1 1 1   -7   19   21 f  128.614   4.7172  171.266   11.282 -10.30386 9.434452 
1 1 1   -7   19   22 o  142.676   7.5505  204.345   21.546      ?      ? 
1 1 1   -7   19   23 o   71.281   9.4317   57.227   11.893 -14.00948 18.86332 
1 1 1   -7   19   24 o  131.481   3.7828  173.841   9.9303 0.3401184 7.565571 
1 1 1   -7   19   25 o   67.938   6.7070   47.464   9.1129 -0.2648239 13.41396 
1 1 1   -7   19   27 o  167.279   4.1694  281.217   13.949      ?      ? 
1 1 1   -7   19   28 o  110.196   4.3932  123.742   9.5334 -5.927437 8.786379 
1 1 1   -7   19   29 o  145.460   3.5789  212.056   10.333 4.939850 7.157737 
1 1 1   -7   19   30 o  104.230   4.9253  110.908   10.129 -5.473198 9.850594 
1 1 1   -7   19   31 o  140.131   3.8372  197.524   10.614 2.533554 7.674389 
1 1 1   -7   19   32 o   41.201   10.034   16.327   9.9233 7.139156 20.06808 
1 1 1   -7   19   33 o  129.341   4.0481  168.661   10.348 0.4757843 8.096107 
1 1 1   -7   19   34 o  144.339   3.5805  209.780   10.118 2.054581 7.160977 
1 1 1   -7   20    1 o  284.929   5.1562  812.745   29.383      ?      ? 
1 1 1   -7   20    2 o  291.372   3.5931  850.320   20.919 3.688599 7.186148 
1 1 1   -7   20    3 o  157.490   4.1112  252.288   12.669 14.06323 8.222388 
1 1 1   -7   20    4 o  203.928   3.5983  413.156   14.518 -10.11180 7.196596 
1 1 1   -7   20    5 o  151.055   5.7724  228.520   17.439      ?      ? 
1 1 1   -7   20    6 o  211.898   3.5192  449.603   14.903 -10.46571 7.038434 
1 1 1   -7   20    7 f  257.044   2.9446  663.146   13.919 -1.932983 5.889108 
1 1 1   -7   20    8 o  116.065   4.6119  133.619   9.0832 2.126450 9.223760 
1 1 1   -7   20    9 o  154.633   3.7795  245.642   9.9737 -7.847168 7.559076 
1 1 1   -7   20   10 o  250.086   3.0722  624.586   13.913 1.341476 6.144410 
1 1 1   -7   20   11 o  285.140   3.1714  815.164   16.653 -1.137848 6.342880 
1 1 1   -7   20   12 o  118.562   5.8378  176.390   10.653 -56.86307 11.67570 
1 1 1   -7   20   13 o  262.067   3.2067  660.199   15.043 22.95749 6.413345 
1 1 1   -7   20   14 o  181.152   3.4828  330.251   11.442 -1.936523 6.965693 
1 1 1   -7   20   15 f  231.874   3.1565  537.758   13.329 0.8023834 6.313089 
1 1 1   -7   20   16 o   76.358   8.0090   63.802   9.8581 -11.08270 16.01805 
1 1 1   -7   20   17 o  170.544   3.7502  300.022   11.285 -10.73022 7.500397 
1 1 1   -7   20   18 o  167.475   3.8427  294.769   11.346 -17.67181 7.685324 
1 1 1   -7   20   19 o   76.127   7.5610   61.424   9.8904 -6.619118 15.12195 
1 1 1   -7   20   20 o  106.198   5.9233  120.607   10.812 -12.69789 11.84655 
1 1 1   -7   20   21 o  229.427   5.8302  527.488   26.752      ?      ? 
1 1 1   -7   20   22 o  175.386   4.0339  312.876   12.756 -4.331619 8.067881 
1 1 1   -7   20   23 o  123.336   4.8674  156.882   10.590 -6.372772 9.734715 
1 1 1   -7   20   24 f  132.808   4.7025  186.794   10.914 -14.07201 9.405092 
1 1 1   -7   20   25 o  141.524   4.3502  208.514   11.386 -15.15619 8.700456 
1 1 1   -7   20   26 o  181.400   4.0618  330.634   14.736      ?      ? 
1 1 1   -7   20   28 o   84.435   5.6894   71.151   9.5268 10.27335 11.37879 
1 1 1   -7   20   29 o   73.136   6.5890   55.395   9.4048 -4.755707 13.17804 
1 1 1   -7   20   30 o   89.961   5.5099   82.796   9.7231 -2.565453 11.01989 
1 1 1   -7   20   31 o   35.069   14.169   7.1449   15.393      ?      ? 
1 1 1   -7   20   32 o  121.434   4.4401  152.985   10.358 -12.74930 8.880209 
1 1 1   -7   20   33 o   55.903   9.3196   35.496   10.244 -14.58016 18.63913 
1 1 1   -7   21    1 f  378.335   4.0552  1432.53   30.649 -6.150024 8.110422 
1 1 1   -7   21    2 o  531.660   5.3390  2833.91   56.757 -6.925293 10.67805 
1 1 1   -7   21    3 o  235.432   3.5281  554.867   16.604 -1.665146 7.056210 
1 1 1   -7   21    4 o  333.034   3.7716  1110.80   25.110 -0.6478882E-01 7.543235 
1 1 1   -7   21    5 o  321.697   3.7185  1033.82   23.870 -11.56790 7.436985 
1 1 1   -7   21    6 o  197.407   3.5480  389.510   13.980 5.697632 7.095910 
1 1 1   -7   21    7 o  336.295   3.2507  1136.99   20.398 -3.990845 6.501396 
1 1 1   -7   21    8 o  340.455   3.2801  1170.40   20.925 -8.492981 6.560230 
1 1 1   -7   21    9 o  229.854   3.0553  529.563   12.655 -0.7464447 6.110612 
1 1 1   -7   21   10 o  393.570   3.6459  1535.86   26.488 9.990662 7.291766 
1 1 1   -7   21   11 o  182.819   3.4272  338.409   11.240 -4.654266 6.854445 
1 1 1   -7   21   12 o  434.401   3.9264  1886.05   31.854 3.592285 7.852880 
1 1 1   -7   21   13 o  145.332   4.1340  230.207   10.218 -25.78462 8.267979 
1 1 1   -7   21   14 o  217.064   3.1409  472.830   12.248 -0.9886475 6.281885 
1 1 1   -7   21   15 o   35.890   9.4665   10.326   9.2561 -6.820545 18.93296 
1 1 1   -7   21   16 o  289.654   3.1759  830.776   16.696 8.114716 6.351723 
1 1 1   -7   21   17 o  180.167   3.5899  328.558   11.297 -3.460220 7.179813 
1 1 1   -7   21   18 o  164.815   3.7052  276.260   10.979 -5.203506 7.410317 
1 1 1   -7   21   19 o  321.053   3.4050  1024.69   20.151 8.113373 6.809949 
1 1 1   -7   21   20 o  337.524   5.9315  1141.56   40.040      ?      ? 
1 1 1   -7   21   21 f   28.296   8.5409  -8.9413   10.825 -13.32635 17.08184 
1 1 1   -7   21   22 o  124.891   4.7609  163.245   10.441 -10.61215 9.521852 
1 1 1   -7   21   23 o   36.505   9.4482   11.441   9.7298 -10.60809 18.89647 
1 1 1   -7   21   24 o  105.830   5.8558  121.662   10.600 -17.70484 11.71154 
1 1 1   -7   21   25 o   63.326   9.0351   50.555   10.158 -28.37518 18.07027 
1 1 1   -7   21   26 o   24.312   8.2082 -15.6574   9.7692 7.680046 16.41638 
1 1 1   -7   21   27 o   79.069   7.2960   62.208   10.353 3.886658 14.59202 
1 1 1   -7   21   28 o  114.335   4.1483  130.918   9.4106 7.354843 8.296668 
1 1 1   -7   21   29 o   52.541   8.9086   31.002   9.2317 -10.71397 17.81727 
1 1 1   -7   21   30 o   77.906   6.9122   68.651   9.5322 -28.18100 13.82435 
1 1 1   -7   21   31 o   41.482   9.7944   17.733   9.5638 -3.407578 19.58870 
1 1 1   -7   21   32 o  104.631   4.8087  108.882   9.8831 8.978081 9.617322 
1 1 1   -7   22    1 o  350.524   3.8454  1230.57   26.935 -1.839081 7.690840 
1 1 1   -7   22    2 o  406.633   4.2560  1656.96   34.611 6.196808 8.512080 
1 1 1   -7   22    3 o  355.596   3.8965  1266.88   27.709 1.307556 7.793016 
1 1 1   -7   22    4 o  310.293   3.6680  958.578   22.690 24.19482 7.336062 
1 1 1   -7   22    5 o  567.214   5.6685  3229.18   64.294 7.704773 11.33699 
1 1 1   -7   22    6 o  154.816   3.9252  240.063   12.151 2.068542 7.850394 
1 1 1   -7   22    7 o  186.432   3.6134  348.325   13.440 -1.528076 7.226834 
1 1 1   -7   22    8 o  215.953   2.9298  439.446   11.133 26.06429 5.859569 
1 1 1   -7   22    9 o  132.994   4.0841  189.097   9.1315 -17.13571 8.168116 
1 1 1   -7   22   10 o  141.598   3.7937  208.434   9.2194 -10.58102 7.587431 
1 1 1   -7   22   11 o  206.327   3.1712  424.219   11.399 2.105408 6.342314 
1 1 1   -7   22   12 o  303.510   3.1787  914.319   17.492 6.452454 6.357473 
1 1 1   -7   22   13 o  204.622   3.1223  423.731   11.385 -4.697296 6.244638 
1 1 1   -7   22   14 o  293.597   3.1667  868.777   17.003 -4.277466 6.333443 
1 1 1   -7   22   15 o  173.831   3.4610  307.681   10.487 -5.600891 6.922073 
1 1 1   -7   22   16 o  193.245   3.3272  368.965   11.211 5.657196 6.654390 
1 1 1   -7   22   17 o   95.021   6.3107   98.902   9.7956 -14.74921 12.62144 
1 1 1   -7   22   18 f   95.089   11.578   91.862   22.019      ?      ? 
1 1 1   -7   22   19 o  287.762   5.6943  830.013   32.772      ?      ? 
1 1 1   -7   22   20 o  225.331   3.8760  513.611   17.364 -10.39284 7.752088 
1 1 1   -7   22   21 o   71.063   8.2698   57.416   9.7662 -15.45702 16.53965 
1 1 1   -7   22   22 o   86.329   7.2618   89.301   9.8351 -27.66141 14.52359 
1 1 1   -7   22   23 o  159.252   6.3570  254.550   20.247      ?      ? 
1 1 1   -7   22   24 f   25.224   7.9901  -9.3078   9.4099 -7.443445 15.98020 
1 1 1   -7   22   25 f   45.001   8.3932   24.376   9.6437 -29.07270 16.78636 
1 1 1   -7   22   26 o  154.908   3.9247  231.972   10.853 12.84514 7.849350 
1 1 1   -7   22   27 o   91.228   6.5920   87.435   10.222 -5.431824 13.18396 
1 1 1   -7   22   28 o  128.788   4.8225  173.386   10.629 -8.806915 9.644973 
1 1 1   -7   22   29 o   45.250   10.389   22.014   10.204 -3.082577 20.77858 
1 1 1   -7   22   30 o   78.034   6.0746   60.855   9.3361 10.03671 12.14928 
1 1 1   -7   22   31 o   74.822   6.7441   59.182   9.7359 -14.77053 13.48824 
1 1 1   -7   22   32 o  139.021   3.6720  197.904   10.124 0.2847900 7.343970 
1 1 1   -7   23    1 o  392.162   4.1605  1491.47   31.825 -54.93762 8.320909 
1 1 1   -7   23    2 o  345.923   3.8134  1180.94   26.081 -32.63092 7.626850 
1 1 1   -7   23    3 o  579.753   5.7823  3374.19   67.017 -10.26141 11.56460 
1 1 1   -7   23    4 o  447.153   4.6045  2004.36   41.159 -7.231873 9.209068 
1 1 1   -7   23    5 o  312.101   3.1212  961.204   18.169 12.33926 6.242330 
1 1 1   -7   23    6 o  144.650   5.8713  209.864   16.986      ?      ? 
1 1 1   -7   23    7 o  173.551   3.6434  300.160   12.582 9.766022 7.286876 
1 1 1   -7   23    8 o  118.158   4.2746  144.477   8.2644 -6.719765 8.549109 
1 1 1   -7   23    9 o  172.306   3.2285  305.479   9.5803 -9.443481 6.456992 
1 1 1   -7   23   10 o  272.487   2.9732  738.644   14.647 4.187561 5.946460 
1 1 1   -7   23   11 o  153.689   3.7083  248.988   9.4085 -14.47166 7.416680 
1 1 1   -7   23   12 f  253.530   3.0387  632.807   13.547 9.082581 6.077344 
1 1 1   -7   23   13 o  180.469   3.2452  325.964   10.162 0.4974670 6.490475 
1 1 1   -7   23   14 o  118.947   4.4331  137.227   8.8389 7.378021 8.866278 
1 1 1   -7   23   15 o  117.880   4.5917  144.024   9.0678 -6.971024 9.183438 
1 1 1   -7   23   16 o   88.123   7.4201   94.954   9.6876 -30.66321 14.84017 
1 1 1   -7   23   17 o  523.891   7.6191  2754.45   79.832      ?      ? 
1 1 1   -7   23   18 o  106.120   5.8500  107.301   10.510 10.90906 11.69997 
1 1 1   -7   23   19 o   64.924   9.0204   48.229   9.7251 -13.50704 18.04074 
1 1 1   -7   23   20 o  141.621   4.0265  196.931   10.094 7.019485 8.053040 
1 1 1   -7   23   21 o   60.988   8.8845   47.187   9.4712 -24.24404 17.76908 
1 1 1   -7   23   22 o  146.359   6.9015  215.178   20.202      ?      ? 
1 1 1   -7   23   23 o  122.418   4.6746  162.299   9.7693 -18.28296 9.349148 
1 1 1   -7   23   24 o   83.609   6.7325   76.185   9.4779 -11.36961 13.46505 
1 1 1   -7   23   25 o  223.289   3.2746  489.853   13.033 10.15872 6.549247 
1 1 1   -7   23   26 o  181.913   3.6921  341.587   11.698 -9.701523 7.384108 
1 1 1   -7   23   27 o  127.292   4.7095  162.128   10.426 2.541824 9.418917 
1 1 1   -7   23   28 o   75.181   7.3912   54.137   9.9632 11.89603 14.78246 
1 1 1   -7   23   29 o   90.646   6.5633   86.425   10.134 -5.715073 13.12651 
1 1 1   -7   23   30 o   93.655   5.9729   81.163   10.126 19.23605 11.94588 
1 1 1   -7   23   31 o   74.010   7.3764   60.193   9.7105 -9.672333 14.75284 
1 1 1   -7   24    1 o  157.879   3.6868  249.400   11.516 -2.219894 7.373649 
1 1 1   -7   24    2 f  172.429   3.6032  298.175   12.395 0.6666870 7.206451 
1 1 1   -7   24    3 o  174.081   3.5602  303.856   12.388 0.6440430 7.120395 
1 1 1   -7   24    4 o  220.441   3.3103  486.209   14.582 -8.832657 6.620543 
1 1 1   -7   24    5 o  168.347   3.1372  287.684   9.7805 -6.121109 6.274480 
1 1 1   -7   24    6 o  328.284   3.1549  1075.25   19.403 3.682465 6.309745 
1 1 1   -7   24    7 o  226.628   4.8270  514.810   21.879      ?      ? 
1 1 1   -7   24    8 o  206.189   2.8610  417.058   10.292 8.514877 5.722012 
1 1 1   -7   24    9 o  161.348   3.2856  268.375   8.9111 -8.778275 6.571251 
1 1 1   -7   24   10 f  123.237   4.0317  149.893   8.1002 3.351814 8.063429 
1 1 1   -7   24   11 o  152.761   3.4454  237.277   8.8314 -4.057297 6.890811 
1 1 1   -7   24   12 o   70.021   7.3234   51.223   8.0261 -3.364304 14.64675 
1 1 1   -7   24   13 o  139.056   3.9797  200.854   9.1079 -8.774567 7.959381 
1 1 1   -7   24   14 f  305.931   3.2523  920.009   17.638 13.42212 6.504667 
1 1 1   -7   24   15 o  273.299   5.6204  748.745   30.721      ?      ? 
1 1 1   -7   24   16 o  195.540   5.8190  383.446   22.757      ?      ? 
1 1 1   -7   24   17 o   50.963   9.0426   31.741   9.0390 -19.23176 18.08524 
1 1 1   -7   24   18 o   80.395   7.0161   69.577   9.1090 -8.811142 14.03221 
1 1 1   -7   24   19 f   28.627   8.9962  -2.1492   9.2900 3.154572 17.99231 
1 1 1   -7   24   21 o  169.051   3.4427  259.444   10.570 37.30916 6.885334 
1 1 1   -7   24   22 o  125.950   4.5137  163.984   9.7045 -6.230125 9.027368 
1 1 1   -7   24   23 o  105.032   5.7338  123.689   9.7853 -20.70946 11.46759 
1 1 1   -7   24   24 o  273.745   3.2275  737.955   15.886 11.61578 6.455002 
1 1 1   -7   24   25 o   49.565   9.6184   29.439   9.7858 -15.41605 19.23678 
1 1 1   -7   24   26 o   40.996   9.8748   17.553   9.6716 -7.590164 19.74957 
1 1 1   -7   24   27 o   62.479   8.8781   36.560   9.8027 21.54892 17.75618 
1 1 1   -7   24   28 o   74.628   7.3424   53.640   9.6526 9.663826 14.68486 
1 1 1   -7   24   29 o   76.516   8.1784   67.907   9.9080 -18.17563 16.35675 
1 1 1   -7   24   30 o   49.104   9.7736   26.070   9.3593 1.659363 19.54729 
1 1 1   -7   25    1 o  296.658   3.3906  879.982   20.035 -7.873993 6.781198 
1 1 1   -7   25    2 o  219.007   3.1714  480.024   13.856 -4.029388 6.342857 
1 1 1   -7   25    3 o  182.435   3.3708  333.642   12.295 -0.4753571 6.741698 
1 1 1   -7   25    4 f   83.453   6.2271   70.531   10.330 -10.67336 12.45429 
1 1 1   -7   25    5 o  111.885   4.1386  127.545   8.3197 -4.037872 8.277239 
1 1 1   -7   25    6 o  392.076   3.5727  1535.97   26.122 3.840088 7.145483 
1 1 1   -7   25    7 o  239.978   2.8222  580.164   12.568 -3.617828 5.644472 
1 1 1   -7   25    8 o  241.591   2.8538  582.431   12.664 2.494171 5.707521 
1 1 1   -7   25    9 o  261.062   2.8623  686.956   13.515 -3.684326 5.724644 
1 1 1   -7   25   10 o  208.763   2.8868  431.335   10.375 4.944138 5.773666 
1 1 1   -7   25   11 o  250.780   2.9392  630.398   13.031 -0.4309082E-01 5.878341 
1 1 1   -7   25   12 o  108.994   8.5977  120.576   18.742      ?      ? 
1 1 1   -7   25   13 o  153.925   6.8880  237.743   21.205      ?      ? 
1 1 1   -7   25   14 o  162.779   6.5675  265.849   21.381      ?      ? 
1 1 1   -7   25   15 o  172.482   3.6378  320.042   10.317 -22.10930 7.275605 
1 1 1   -7   25   16 o  138.259   4.1404  202.887   9.2553 -13.64684 8.280832 
1 1 1   -7   25   17 o  201.035   3.2464  401.737   11.207 3.581467 6.492771 
1 1 1   -7   25   18 o  118.108   4.9653  152.781   9.5477 -16.76373 9.930694 
1 1 1   -7   25   19 o  288.699   3.6966  829.394   21.177 16.12750 7.393152 
1 1 1   -7   25   20 o  156.105   3.9119  245.852   10.792 -0.9026489 7.823748 
1 1 1   -7   25   21 o   29.473   9.2136  -4.1595   9.3890 12.90043 18.42724 
1 1 1   -7   25   22 o  278.045   3.1998  770.022   16.104 5.195892 6.399591 
1 1 1   -7   25   23 o  104.266   5.7022  112.654  10.0000 -4.637856 11.40448 
1 1 1   -7   25   24 o   56.190   9.6097   36.936   9.7901 -13.58733 19.21939 
1 1 1   -7   25   25 o   29.793   9.2721  -0.7215   9.6476 3.503340 18.54422 
1 1 1   -7   25   26 o   73.149   8.2417   60.238   9.5133 -11.31607 16.48331 
1 1 1   -7   25   27 o   82.915   7.0680   75.784   9.4978 -11.98045 14.13608 
1 1 1   -7   25   28 o  147.970   4.0082  213.742   10.338 8.974854 8.016467 
1 1 1   -7   25   29 o  106.119   5.6749  115.034   10.065 -0.8124237 11.34985 
1 1 1   -7   26    1 f  106.753   4.3208  112.843   8.7013 -4.579155 8.641521 
1 1 1   -7   26    2 o   79.370   5.8147   62.880   9.0600 -4.464638 11.62934 
1 1 1   -7   26    3 o  166.614   3.3605  277.708   11.159 -5.453491 6.721010 
1 1 1   -7   26    4 o  217.322   3.1682  472.824   13.756 -8.621109 6.336364 
1 1 1   -7   26    5 f   90.481   4.7379   83.417   7.6360 -2.758049 9.475856 
1 1 1   -7   26    6 o  282.987   2.9273  803.875   15.359 -1.258118 5.854692 
1 1 1   -7   26    7 f  220.518   2.7964  484.943   11.199 2.474518 5.592726 
1 1 1   -7   26    8 f  166.468   3.1071  281.534   9.1912 -4.850342 6.214181 
1 1 1   -7   26    9 o  242.948   4.9081  593.231   23.848      ?      ? 
1 1 1   -7   26   10 o  301.413   3.1073  921.680   17.194 -9.895782 6.214675 
1 1 1   -7   26   11 o  236.437   5.2427  559.922   24.791      ?      ? 
1 1 1   -7   26   12 o  243.520   5.2480  594.883   25.560      ?      ? 
1 1 1   -7   26   13 o  196.196   3.1440  400.060   10.678 -14.16446 6.287941 
1 1 1   -7   26   14 o   89.277   5.4896   80.577   7.9318 -0.5011444 10.97929 
1 1 1   -7   26   15 o   55.228   8.7232   35.488   8.0101 -12.57697 17.44638 
1 1 1   -7   26   16 o   85.790   6.7282   80.678   8.7884 -10.25172 13.45635 
1 1 1   -7   26   17 o   33.611   8.3329   5.7652   9.5209 -20.14890 16.66580 
1 1 1   -7   26   18 o  332.965   5.6942  1113.80   37.919      ?      ? 
1 1 1   -7   26   19 f   40.262   8.4105   18.424   9.1222 -23.78643 16.82091 
1 1 1   -7   26   20 o  134.027   4.3947  189.006   9.9404 -11.18433 8.789347 
1 1 1   -7   26   21 o  158.266   6.8512  252.827   21.686      ?      ? 
1 1 1   -7   26   22 o  135.117   4.5124  187.012   10.299 -3.478119 9.024840 
1 1 1   -7   26   23 o  169.649   3.8464  294.934   11.221 -6.226044 7.692813 
1 1 1   -7   26   24 o   90.367   6.4745   81.715   9.9312 2.998032 12.94893 
1 1 1   -7   26   25 o   75.816   8.1758   62.629   9.6324 -6.858337 16.35154 
1 1 1   -7   26   26 f   51.519   9.7432   29.168   9.1921 -2.925049 19.48646 
1 1 1   -7   26   27 o   95.662   6.2041   95.421   9.7589 -4.994057 12.40821 
1 1 1   -7   26   28 o  130.306   4.4001  162.175   9.9372 14.72868 8.800174 
1 1 1   -7   27    1 o  216.225   4.5668  469.216   19.749      ?      ? 
1 1 1   -7   27    2 o  154.162   3.3281  240.828   10.098 9.164108 6.656214 
1 1 1   -7   27    3 o  192.411   3.1548  372.274   12.101 18.88191 6.309585 
1 1 1   -7   27    4 o  210.975   2.7044  419.358   10.395 29.97108 5.408849 
1 1 1   -7   27    5 o  115.635   3.8264  130.987   8.1608 7.331718 7.652736 
1 1 1   -7   27    6 o  119.198   6.7923  142.829   16.193      ?      ? 
1 1 1   -7   27    7 o  326.608   5.2404  1068.71   34.231      ?      ? 
1 1 1   -7   27    8 o  286.876   3.0551  698.135   14.252 75.04539 6.110222 
1 1 1   -7   27    9 o  319.401   3.1266  1038.68   18.703 -15.25970 6.253141 
1 1 1   -7   27   11 o  127.412   4.0835  179.746   8.1143 -21.63921 8.167032 
1 1 1   -7   27   12 o  212.594   3.0064  431.674   10.625 17.97020 6.012701 
1 1 1   -7   27   13 o  223.524   3.0069  481.194   11.368 16.38873 6.013863 
1 1 1   -7   27   14 o   56.039   8.2057   46.593   8.2204 -37.50047 16.41147 
1 1 1   -7   27   15 o  188.842   3.4622  374.253   11.288 -18.17508 6.924470 
1 1 1   -7   27   16 o  333.844   3.4625  1044.91   19.973 42.02585 6.925013 
1 1 1   -7   27   17 o   65.457   16.352   47.867   21.368      ?      ? 
1 1 1   -7   27   18 o  141.446   4.2429  199.147   9.8244 2.940720 8.485863 
1 1 1   -7   27   19 o  101.657   5.8624  108.861   9.5222 -7.332130 11.72480 
1 1 1   -7   27   20 o  182.664   6.2259  336.713   22.745      ?      ? 
1 1 1   -7   27   21 o   94.342   6.5982  100.553   9.8512 -18.21944 13.19638 
1 1 1   -7   27   22 o  115.216   5.1439  133.291   10.142 1.782005 10.28786 
1 1 1   -7   27   23 f   32.354   9.8266   2.1607   10.032 6.303123 19.65313 
1 1 1   -7   27   24 o   64.005   9.5230   49.874   9.9264 -17.80449 19.04593 
1 1 1   -7   27   25 f   57.530   9.0866   43.606   9.3557 -26.66903 18.17324 
1 1 1   -7   27   26 o  146.931   3.9847  215.517   10.118 2.261276 7.969361 
1 1 1   -7   27   27 o  106.594   5.6847  113.118   9.7233 5.544586 11.36935 
1 1 1   -7   28    1 o  262.164   4.5599  688.169   23.909      ?      ? 
1 1 1   -7   28    2 o  308.587   3.5163  930.504   21.394 -44.80042 7.032640 
1 1 1   -7   28    3 o  345.933   3.7817  1146.36   25.398 61.97897 7.563308 
1 1 1   -7   28    4 o  316.421   5.1088  1003.97   32.331      ?      ? 
1 1 1   -7   28    5 o  217.738   2.8510  461.130   11.345 15.65656 5.701982 
1 1 1   -7   28    7 o  103.799   4.9225  124.576   8.1347 -27.57659 9.844978 
1 1 1   -7   28    8 o   30.878   8.8926  -0.7032   7.6138 19.97171 17.78511 
1 1 1   -7   28    9 o  151.152   5.7865  230.063   17.493      ?      ? 
1 1 1   -7   28   10 o  136.229   3.5036  185.959   6.9280 0.1265869 7.007191 
1 1 1   -7   28   11 o  204.262   3.0264  419.706   10.421 -0.8886719 6.052792 
1 1 1   -7   28   12 o  102.393   6.5080  142.065   8.5476 -47.58318 13.01595 
1 1 1   -7   28   13 o  258.089   5.4319  668.034   28.038      ?      ? 
1 1 1   -7   28   14 o  193.144   5.8097  374.826   22.442      ?      ? 
1 1 1   -7   28   15 o   89.315   7.8846  109.740   9.3344 -47.56661 15.76917 
1 1 1   -7   28   16 o   77.136   8.5686   79.390   9.0856 -34.15679 17.13727 
1 1 1   -7   28   17 o  373.665   3.6096  1380.12   24.374 14.75055 7.219119 
1 1 1   -7   28   18 o  107.139   5.7850  125.289   9.6911 -14.62717 11.56995 
1 1 1   -7   28   19 o  231.387   3.2857  543.119   13.352 -4.050049 6.571392 
1 1 1   -7   28   20 o   70.934   8.5531   57.796   9.4527 -13.79144 17.10623 
1 1 1   -7   28   21 o   60.376   9.4087   41.186   9.5061 -9.070339 18.81743 
1 1 1   -7   28   22 o  100.553   6.0333   97.186   10.018 9.855919 12.06664 
1 1 1   -7   28   23 o   77.413   8.7099   73.611   9.9776 -23.99163 17.41984 
1 1 1   -7   28   24 o  119.222   4.9578  142.435   9.8706 1.779762 9.915541 
1 1 1   -7   28   25 f   68.327   7.4424   40.116   8.9478 28.78619 14.88482 
1 1 1   -7   28   26 o   72.091   8.6264  126.078   10.214 -51.07584 17.25286 
1 1 1   -7   29    1 o  142.663   5.5877  204.752   15.943      ?      ? 
1 1 1   -7   29    2 o  208.410   4.6526  436.182   19.393      ?      ? 
1 1 1   -7   29    3 f  283.146   3.2890  805.862   18.598 4.754547 6.578012 
1 1 1   -7   29    4 f  155.754   2.7633  243.405   8.1471 -0.2317505 5.526695 
1 1 1   -7   29    5 o  163.270   2.8584  270.231   8.5936 -4.590240 5.716833 
1 1 1   -7   29    6 o  141.234   3.1016  195.720   7.9981 7.513687 6.203249 
1 1 1   -7   29    7 o  137.375   3.3222  189.232   8.3340 0.5461426 6.644455 
1 1 1   -7   29    8 o   23.649   7.6317  -5.2650   7.6695 0.6972771 15.26347 
1 1 1   -7   29    9 o   76.808   4.9783   23.013   8.4132 123.2732 9.956666 
1 1 1   -7   29   10 o  252.029   2.8412  633.743   11.721 1.484695 5.682308 
1 1 1   -7   29   11 o  300.842   5.2843  907.790   31.795      ?      ? 
1 1 1   -7   29   12 o  119.122   4.8771  159.040   8.7667 -21.16796 9.754243 
1 1 1   -7   29   13 o   96.821   5.9339  109.669   8.3452 -23.10873 11.86780 
1 1 1   -7   29   14 o   60.808   8.6082   43.586   8.1010 -13.68489 17.21632 
1 1 1   -7   29   15 o   81.298   7.3980   79.036   8.4552 -21.64787 14.79599 
1 1 1   -7   29   16 o  147.770   3.9408  213.267   9.5047 6.982269 7.881605 
1 1 1   -7   29   17 o  130.022   4.6497  175.878   9.5057 -6.460907 9.299361 
1 1 1   -7   29   18 o   99.059   6.0177  103.803   9.3134 -7.335464 12.03540 
1 1 1   -7   29   19 o   31.154   9.4661   2.1238   9.1967 5.756639 18.93210 
1 1 1   -7   29   20 o   62.385   9.2639   46.481   9.4256 -15.64836 18.52782 
1 1 1   -7   29   21 o  200.832   3.5186  405.014   12.085 0.8245544 7.037255 
1 1 1   -7   29   22 o   75.113   8.2675   58.251   9.8234 0.3075409 16.53503 
1 1 1   -7   29   23 o  170.922   3.6319  287.829   10.674 6.574554 7.263823 
1 1 1   -7   29   24 o   36.118   9.7171   10.291   8.5251 6.082314 19.43423 
1 1 1   -7   30    1 o   68.179   11.169   49.234   15.230      ?      ? 
1 1 1   -7   30    2 o  138.434   5.9673  194.794   16.522      ?      ? 
1 1 1   -7   30    3 o  154.480   3.7267  239.846   11.514      ?      ? 
1 1 1   -7   30    4 o  141.257   4.1214  200.266   11.644      ?      ? 
1 1 1   -7   30    5 o  234.833   2.6884  567.801   12.251 -35.83499 5.376800 
1 1 1   -7   30    6 o  224.352   2.7606  432.109   10.847 65.74939 5.521300 
1 1 1   -7   30    7 f  198.361   3.2809  393.899   13.016      ?      ? 
1 1 1   -7   30    8 o  154.673   3.0375  216.196   8.8514 46.76413 6.075008 
1 1 1   -7   30    9 o   40.797   6.2086   16.166   8.0724 -42.85450 12.41724 
1 1 1   -7   30   10 o   89.451   6.0027   96.238   8.4534 -30.86527 12.00530 
1 1 1   -7   30   11 o   96.886   5.3409  108.874   7.0735 -20.33034 10.68171 
1 1 1   -7   30   12 o  224.797   2.8814  507.792   10.287 -0.6917572 5.762819 
1 1 1   -7   30   13 o  190.025   3.1670  362.440   10.118 -0.2557831 6.334061 
1 1 1   -7   30   14 o  176.026   3.2205  298.263   9.5300 13.10100 6.440982 
1 1 1   -7   30   15 o   45.549   8.1361   27.608   8.1025 -26.19717 16.27225 
1 1 1   -7   30   16 o  100.164   6.0314  120.241   8.7159 -28.23289 12.06283 
1 1 1   -7   30   17 o  101.605   5.7295  108.653   9.0293 -6.502327 11.45908 
1 1 1   -7   30   18 o  104.187   5.6262  114.113   9.2621 -6.677460 11.25233 
1 1 1   -7   30   19 o  123.449   4.9628  161.278   9.7937 -9.790199 9.925510 
1 1 1   -7   30   20 o  149.713   4.1405  223.598   10.372 2.677032 8.281016 
1 1 1   -7   30   21 o  120.965   5.0555  154.176   10.026 -9.334877 10.11108 
1 1 1   -7   30   22 o  141.577   4.1206  194.751   9.8615 9.129364 8.241145 
1 1 1   -7   30   23 o   91.631   5.6063   97.616   8.2967 -21.53890 11.21251 
1 1 1   -7   31    1 o  137.857   5.9108  191.599   16.297      ?      ? 
1 1 1   -7   31    2 o   98.497   7.6742   98.485   15.118      ?      ? 
1 1 1   -7   31    4 o   96.632   4.1601   93.846   8.0400      ?      ? 
1 1 1   -7   31    5 o   50.114   9.5670   26.552   9.2452      ?      ? 
1 1 1   -7   31    6 o   47.883   7.2436   29.322   7.4193 -34.50648 14.48714 
1 1 1   -7   31    7 o  110.903   4.0387  123.317   7.9576 1.249207 8.077343 
1 1 1   -7   31    8 o  115.602   3.8982  126.273   8.1256 16.27161 7.796352 
1 1 1   -7   31    9 o   65.364   7.3870   45.765   7.9739 -5.416748 14.77409 
1 1 1   -7   31   10 o  126.591   3.8745  160.332   8.5484 1.078606 7.748973 
1 1 1   -7   31   11 o   68.776   5.8813   35.430   6.5114 31.55056 11.76257 
1 1 1   -7   31   12 o   58.878   8.1825   40.549   6.7085 -11.36443 16.36490 
1 1 1   -7   31   13 o  127.982   4.0680  172.192   7.4016 -8.454521 8.136091 
1 1 1   -7   31   14 f   44.620   8.6918   23.961   7.8453 -15.56659 17.38351 
1 1 1   -7   31   15 f   85.871   6.6449   83.791   8.3769 -15.67403 13.28983 
1 1 1   -7   31   16 o  129.785   4.5819  181.098   9.2476 -14.05984 9.163861 
1 1 1   -7   31   17 o   91.501   6.4829   90.610   9.0307 -9.251495 12.96576 
1 1 1   -7   31   18 o  127.720   4.6132  166.728   9.5025 -2.938713 9.226300 
1 1 1   -7   31   19 o   51.538   9.9511   24.429   9.0780 16.21937 19.90216 
1 1 1   -7   31   20 o  167.601   3.6309  279.355   10.566 3.553131 7.261885 
1 1 1   -7   31   21 o   25.675   7.9178  -5.9377   8.8578 -8.936535 15.83562 
1 1 1   -7   32    1 o  194.507   4.7518  380.729   18.485      ?      ? 
1 1 1   -7   32    2 o  280.626   4.8605  792.554   27.280      ?      ? 
1 1 1   -7   32    3 o  158.184   3.3262  250.928   10.523      ?      ? 
1 1 1   -7   32    4 o  187.495   3.1646  352.357   11.867      ?      ? 
1 1 1   -7   32    5 f  167.844   2.5065  280.961   8.2698 4.603378 5.012955 
1 1 1   -7   32    6 o  112.679   5.5402  127.731   12.485      ?      ? 
1 1 1   -7   32    7 o  136.574   3.2299  182.668   8.1130 8.376724 6.459735 
1 1 1   -7   32    8 o   18.834   6.6115 -20.5740   7.5947 6.119167 13.22306 
1 1 1   -7   32    9 o   97.355   4.9924  100.030   8.0437 -7.631638 9.984796 
1 1 1   -7   32   10 o   64.608   7.3329   39.633   8.0313 10.31389 14.66583 
1 1 1   -7   32   11 o  133.236   3.8403  175.183   8.8197 5.091431 7.680580 
1 1 1   -7   32   12 f  135.116   3.8887  189.197   8.1920 -6.635742 7.777385 
1 1 1   -7   32   13 o  142.169   3.7938  194.165   8.4933 10.28365 7.587595 
1 1 1   -7   32   14 f  167.520   3.5661  287.509   9.6335 -5.386581 7.132205 
1 1 1   -7   32   15 o  154.284   3.8503  245.715   9.5555 -6.692108 7.700594 
1 1 1   -7   32   16 o   63.261   8.8191   51.374   8.7223 -24.27208 17.63818 
1 1 1   -7   32   17 o  124.343   4.6186  165.845   9.4258 -14.24787 9.237207 
1 1 1   -7   32   18 o  126.375   4.3220  165.072   9.2741 -6.477890 8.644073 
1 1 1   -7   32   19 o   69.060   7.2519   54.256   8.5041 -16.37777 14.50376 
1 1 1   -7   33    1 o   89.110   8.6069   81.570   15.339      ?      ? 
1 1 1   -7   33    2 o  100.797   4.4077  102.312   8.8858      ?      ? 
1 1 1   -7   33    3 o  123.638   3.8163  153.618   9.4368      ?      ? 
1 1 1   -7   33    4 o  143.238   3.4254  205.903   9.8128      ?      ? 
1 1 1   -7   33    5 o   67.529   4.0944   45.388   5.4024 -4.095093 8.188833 
1 1 1   -7   33    6 o   99.688   3.6150  100.483   7.0242 -1.953705 7.230067 
1 1 1   -7   33    7 o   68.878   5.5783   46.411   7.2328 7.514114 11.15656 
1 1 1   -7   33    8 o   74.087   5.7782   55.376   7.6060 1.227798 11.55630 
1 1 1   -7   33    9 o  219.317   2.8503  472.963   11.136 9.833588 5.700642 
1 1 1   -7   33   10 o   91.953   5.2623   85.033   8.1663 1.124229 10.52467 
1 1 1   -7   33   11 o  152.054   3.6863  231.822   9.4311 1.089188 7.372672 
1 1 1   -7   33   12 o  126.622   4.4084  160.283   9.1801 2.126900 8.816803 
1 1 1   -7   33   13 f  103.674   5.3747  115.767   8.3196 -10.54262 10.74936 
1 1 1   -7   33   14 o  176.637   3.4475  325.941   10.163 -12.79510 6.894977 
1 1 1   -7   33   15 f  194.690   3.6103  384.007   13.743 -6.005844 7.220506 
1 1 1   -7   33   16 o  108.727   4.7544  118.322   8.8706 1.638313 9.508802 
1 1 1   -7   33   17 o   91.721   5.6616   92.005   8.6666 -13.42036 11.32324 
1 1 1   -7   34    1 o  165.666   5.3433  276.847   17.704      ?      ? 
1 1 1   -7   34    2 o   82.728   5.3500   69.035   8.8518      ?      ? 
1 1 1   -7   34    3 o   61.638   7.0718   38.568   8.7179      ?      ? 
1 1 1   -7   34    4 o   88.928   4.8762   79.657   8.6726      ?      ? 
1 1 1   -7   34    5 o  150.847   3.3480  228.349   10.101      ?      ? 
1 1 1   -7   34    6 o   85.190   3.6522   73.368   6.2018 8.058998 7.304319 
1 1 1   -7   34    7 o  187.509   2.6104  351.375   9.4168 3.411789 5.220775 
1 1 1   -7   34    8 o  142.887   3.1925  206.874   8.5585 -2.881470 6.384935 
1 1 1   -7   34    9 o  180.714   2.9535  323.738   9.8253 6.143326 5.907023 
1 1 1   -7   34   10 o   61.787   8.1155   45.811   8.1530 -18.21645 16.23099 
1 1 1   -7   34   11 o   37.416   9.6971   9.2258   8.3006 17.13987 19.39429 
1 1 1   -7   34   12 o  115.481   4.4631  131.816   8.8153 4.362144 8.926255 
1 1 1   -7   34   13 o  114.657   4.2417  133.093   7.3458 -1.253799 8.483345 
1 1 1   -7   34   14 o  239.768   3.0001  580.999   12.942 -3.510025 6.000242 
1 1 1   -7   34   15 o  176.635   3.2925  293.784   9.9441 23.51611 6.584939 
1 1 1   -7   35    1 o  142.437   3.6078  203.737   10.278      ?      ? 
1 1 1   -7   35    2 f  104.570   4.5546  110.070   9.5254      ?      ? 
1 1 1   -7   35    3 o  254.827   3.1861  651.417   16.238      ?      ? 
1 1 1   -7   35    4 o  278.113   3.3115  776.083   18.419      ?      ? 
1 1 1   -7   35    5 f  156.447   3.4515  245.677   10.800      ?      ? 
1 1 1   -7   35    6 o  199.026   3.1834  397.426   12.672      ?      ? 
1 1 1   -7   35    7 o  107.109   3.1682  115.438   6.7772 -0.1502304 6.336362 
1 1 1   -7   35    8 o  147.498   2.9734  219.979   8.4690 -3.809738 5.946728 
1 1 1   -7   35    9 o  152.838   3.0724  230.216   8.7000 7.400696 6.144740 
1 1 1   -7   35   10 o  230.314   2.7865  528.759   11.853 3.985489 5.573069 
1 1 1   -7   35   11 f   94.896   4.8067   87.337   8.1779 8.783386 9.613455 
1 1 1   -7   35   12 o  167.988   3.1854  274.728   9.5489 14.22618 6.370876 
1 1 1   -7   36    1 o  196.008   3.2333  385.212   12.675      ?      ? 
1 1 1   -7   36    2 o  145.583   3.5329  212.618   10.287      ?      ? 
1 1 1   -7   36    3 o  134.363   3.7452  181.185   10.064      ?      ? 
1 1 1   -7   36    4 o  140.579   3.7111  198.343   10.434      ?      ? 
1 1 1   -7   36    5 o  179.222   3.2565  322.153   11.673      ?      ? 
1 1 1   -7   36    6 o   90.931   5.2351   83.386   9.5206      ?      ? 
1 1 1   -7   36    7 o  214.260   3.0976  460.888   13.274      ?      ? 
1 1 1   -7   36    8 o   92.356   3.6848   89.917   6.6396 -15.56706 7.369572 
1 1 1   -6    0    4 o  145.775   4.1192  213.082   11.988 -0.000000 0.000000 
1 1 1   -6    0    5 o  612.560   8.4673  3760.11  103.691 -0.000000 0.000000 
1 1 1   -6    0    6 o  352.591   5.1620  1244.73   36.384 -0.000000 0.000000 
1 1 1   -6    0    7 o  104.487   3.8512  110.669   7.9297 -0.000000 0.000000 
1 1 1   -6    0    8 o  411.525   4.1568  1695.91   34.197 -0.000000 0.000000 
1 1 1   -6    0    9 o  148.940   3.2105  223.457   9.4966 -0.000000 0.000000 
1 1 1   -6    0   10 o  117.937   3.8958  140.868   9.0921 -0.000000 0.000000 
1 1 1   -6    0   11 o   43.683   9.0421   24.888   9.5513 -0.000000 0.000000 
1 1 1   -6    0   12 o  487.821   4.8948  2383.04   47.734 -0.000000 0.000000 
1 1 1   -6    0   13 o  511.778   5.1273  2622.57   52.456 -0.000000 0.000000 
1 1 1   -6    0   15 o  166.112   4.5296  283.414   14.624 -0.000000 0.000000 
1 1 1   -6    0   16 o  358.699   4.1158  1288.31   29.503 -0.000000 0.000000 
1 1 1   -6    0   17 o  374.109   4.2086  1399.83   31.456 -0.000000 0.000000 
1 1 1   -6    0   18 o  133.186   6.1019  180.806   16.004 -0.000000 0.000000 
1 1 1   -6    0   19 f  704.884   7.0106  4967.02   98.627 -0.000000 0.000000 
1 1 1   -6    0   20 o  819.518   8.0676  6724.37  132.078 -0.000000 0.000000 
1 1 1   -6    0   21 f  679.958   6.7943  4631.84   92.331 -0.000000 0.000000 
1 1 1   -6    0   22 o  257.436   4.5144  664.288   23.209 -0.000000 0.000000 
1 1 1   -6    0   23 o  384.280   4.5122  1479.19   34.657 -0.000000 0.000000 
1 1 1   -6    0   24 o   59.899   15.820   48.665   17.607 -0.000000 0.000000 
1 1 1   -6    0   25 o  126.305   7.1106  162.704   17.616 -0.000000 0.000000 
1 1 1   -6    0   26 o  342.784   4.3456  1177.72   29.765 -0.000000 0.000000 
1 1 1   -6    0   27 o   68.106   13.947   57.145   16.803 -0.000000 0.000000 
1 1 1   -6    0   28 o   72.368   12.861   63.994   16.098 -0.000000 0.000000 
1 1 1   -6    0   29 o  249.791   4.1509  627.789   20.654 -0.000000 0.000000 
1 1 1   -6    0   30 o  128.677   6.1157  169.534   15.510 -0.000000 0.000000 
1 1 1   -6    0   32 o  131.469   6.1764  175.628   15.977 -0.000000 0.000000 
1 1 1   -6    0   33 o  178.475   4.5719  322.694   16.147 -0.000000 0.000000 
1 1 1   -6    0   34 o  221.060   4.2263  493.643   18.402 -0.000000 0.000000 
1 1 1   -6    0   35 o   91.959   9.8343   96.999   15.264 -0.000000 0.000000 
1 1 1   -6    0   36 o  106.892   7.6797  119.118   15.994 -0.000000 0.000000 
1 1 1   -6    0   37 o   40.900   15.149   26.068   16.003 -0.000000 0.000000 
1 1 1   -6    0   38 o   32.130   13.711   11.521   16.336 -0.000000 0.000000 
1 1 1   -6    0   39 o   79.424   11.430   72.044   15.947 -0.000000 0.000000 
1 1 1   -6    0   40 o   84.166   9.7732   76.114   15.186 -0.000000 0.000000 
1 1 1   -6    1    4 o  225.822   2.7735  509.312   12.512 8.827805 5.546962 
1 1 1   -6    1    5 o  497.344   4.9080  2478.54   48.819 -1.014313 9.815918 
1 1 1   -6    1    6 o  182.789   2.7918  334.315   10.204 0.8867798 5.583525 
1 1 1   -6    1    7 o  287.871   2.7249  832.464   14.852 -3.553131 5.449780 
1 1 1   -6    1    8 o  105.357   2.7878  111.027   5.8728 -2.328697 5.575581 
1 1 1   -6    1    9 f  362.636   2.6478  1315.80   19.203 2.876953 5.295515 
1 1 1   -6    1   10 o  216.709   3.0314  469.811   13.139      ?      ? 
1 1 1   -6    1   11 o  266.133   2.2768  708.292   12.116 -4.177521 4.553653 
1 1 1   -6    1   14 o  774.785   5.3529  6010.26   82.927 9.840454 10.70576 
1 1 1   -6    1   15 o  596.867   4.2001  3565.41   50.137 -3.095398 8.400142 
1 1 1   -6    1   17 o  350.342   2.9009  1227.86   20.325 1.001312 5.801779 
1 1 1   -6    1   18 o  408.027   3.1964  1664.73   26.068 6.236755 6.392823 
1 1 1   -6    1   21 o  210.985   3.3908  445.386   14.291 1.038345 6.781676 
1 1 1   -6    1   22 o  368.568   3.1648  1359.36   23.328 -3.382324 6.329524 
1 1 1   -6    1   23 o  440.358   3.4043  1941.11   29.982 0.4429626 6.808673 
1 1 1   -6    1   24 o  102.344   6.1337  105.120   12.552 -1.490433 12.26744 
1 1 1   -6    1   25 o  224.364   3.2589  504.016   14.623 -2.388412 6.517868 
1 1 1   -6    1   26 o  121.308   5.3810  150.718   12.695 -32.14930 10.76204 
1 1 1   -6    1   27 o  109.555   5.5161  120.774   12.085 1.157341 11.03221 
1 1 1   -6    1   28 o   67.646   8.6496   47.307   11.423 7.869003 17.29916 
1 1 1   -6    1   29 o   25.763   8.5033 -15.2226   10.907 4.254349 17.00657 
1 1 1   -6    1   30 o  187.306   3.2234  351.955   12.074 -1.080582 6.446750 
1 1 1   -6    1   32 o   19.807   6.9637 -36.7868   10.726 0.8008175 13.92740 
1 1 1   -6    1   33 o  152.422   3.6096  233.626   11.002 -3.982544 7.219177 
1 1 1   -6    1   34 o  185.855   4.6198  346.105   17.172      ?      ? 
1 1 1   -6    1   35 o   81.774   6.5515   68.444   10.703 5.462662 13.10291 
1 1 1   -6    1   36 o   85.861   6.4846   74.960   11.131 -0.9171524 12.96928 
1 1 1   -6    1   37 o   91.266   6.3008   85.552   11.407 13.30695 12.60163 
1 1 1   -6    1   38 o  154.767   3.9924  241.981   12.357 -1.473740 7.984895 
1 1 1   -6    1   39 o   35.471   10.111   6.2573   11.311 -7.406906 20.22281 
1 1 1   -6    1   40 o   76.079   7.1064   59.441   10.809 2.684280 14.21274 
1 1 1   -6    2    3 o  196.980   3.8527  388.233   15.178      ?      ? 
1 1 1   -6    2    4 o  186.783   3.7568  349.083   14.034      ?      ? 
1 1 1   -6    2    5 o  444.541   4.4243  1979.44   39.334 -1.507446 8.848532 
1 1 1   -6    2    6 o  279.401   3.1158  781.291   17.410 -0.8825073 6.231528 
1 1 1   -6    2    7 o  394.577   3.4611  1560.88   25.782 -1.888672 6.922244 
1 1 1   -6    2    8 o  250.159   2.0978  625.839   10.493 -3.245834 4.195690 
1 1 1   -6    2    9 o   57.972   5.0034   33.703   5.7959 -0.8992958 10.00690 
1 1 1   -6    2   10 o  355.554   2.6323  1263.57   18.706 -9.754852 5.264663 
1 1 1   -6    2   11 o  169.018   3.3205  285.789   11.224      ?      ? 
1 1 1   -6    2   12 o  275.280   3.3336  758.063   18.353      ?      ? 
1 1 1   -6    2   13 f  374.264   2.8275  1401.26   21.163 2.641449 5.654992 
1 1 1   -6    2   15 o  423.444   3.1706  1793.86   26.851 0.9948425 6.341283 
1 1 1   -6    2   16 o  864.458   7.3030  7506.09  119.401 -6.205017 14.60608 
1 1 1   -6    2   17 f  409.114   4.4160  1674.54   36.133      ?      ? 
1 1 1   -6    2   18 o  498.816   3.6560  2488.98   36.460 5.656647 7.312077 
1 1 1   -6    2   19 o  332.566   4.3404  1106.53   28.869      ?      ? 
1 1 1   -6    2   20 o  497.413   5.2003  2475.90   51.734      ?      ? 
1 1 1   -6    2   21 o  509.182   3.7749  2595.17   38.441 -1.182220 7.549831 
1 1 1   -6    2   22 o  383.091   3.1974  1468.46   24.496 -5.959625 6.394709 
1 1 1   -6    2   23 o  121.058   5.2079  146.979   12.601 -2.433044 10.41570 
1 1 1   -6    2   24 o   94.368   6.7270   89.512   12.683 -0.8606796 13.45405 
1 1 1   -6    2   25 o  213.518   3.3753  456.310   14.403 2.608353 6.750502 
1 1 1   -6    2   26 o  302.035   3.0166  913.483   18.219 -6.286469 6.033229 
1 1 1   -6    2   27 o  182.181   3.5686  332.404   12.996 6.655365 7.137266 
1 1 1   -6    2   28 o  266.462   2.9252  711.328   15.588 0.1159363 5.850372 
1 1 1   -6    2   29 o  170.064   3.4694  290.218   11.800 1.130722 6.938900 
1 1 1   -6    2   30 o   66.821   8.4308   46.945   10.885 14.33699 16.86164 
1 1 1   -6    2   31 o  356.467   4.3674  1272.13   31.137      ?      ? 
1 1 1   -6    2   32 o  188.733   3.3218  357.357   12.528 5.815918 6.643620 
1 1 1   -6    2   33 o   29.150   9.1016  -4.1791   10.534 -4.011795 18.20327 
1 1 1   -6    2   34 o  154.685   5.5380  239.996   17.133      ?      ? 
1 1 1   -6    2   35 o   70.869   7.6338   51.967   10.810 -0.4778137 15.26762 
1 1 1   -6    2   36 o   78.205   7.1497   62.381   11.176 0.9624481 14.29947 
1 1 1   -6    2   37 o   25.866   8.5668 -16.1791   11.265 5.455988 17.13369 
1 1 1   -6    2   38 o   41.165   10.639   15.428   11.461 4.362247 21.27826 
1 1 1   -6    2   39 o   34.132   10.013   4.3128   11.261 3.726677 20.02502 
1 1 1   -6    2   40 o   80.218   6.7569   66.025   10.825 -4.091805 13.51383 
1 1 1   -6    3    3 o  376.664   5.3590  1420.42   40.371      ?      ? 
1 1 1   -6    3    4 o  133.242   4.0591  177.659   10.817      ?      ? 
1 1 1   -6    3    5 o  453.213   4.4969  2056.90   40.749 -6.275787 8.993819 
1 1 1   -6    3    6 o  189.673   2.3909  359.657   8.5516 0.4226990 4.781880 
1 1 1   -6    3    7 o  174.010   2.4740  308.060   8.1863 -9.924774 4.948024 
1 1 1   -6    3    8 o  338.904   3.0554  1157.94   19.741 -8.435760 6.110750 
1 1 1   -6    3    9 o  249.625   2.1430  623.401   10.698 -1.091217 4.285901 
1 1 1   -6    3   10 o  355.556   2.6394  1264.92   18.769 -0.1043701E-01 5.278780 
1 1 1   -6    3   11 o  153.126   3.4792  234.580   10.655      ?      ? 
1 1 1   -6    3   12 o  430.898   3.1108  1857.84   26.809 -1.706909 6.221663 
1 1 1   -6    3   13 o  195.923   3.4539  383.984   13.534      ?      ? 
1 1 1   -6    3   14 o  298.879   3.7005  893.601   22.120      ?      ? 
1 1 1   -6    3   15 o  450.202   3.3056  2027.27   29.759 -7.206360 6.611237 
1 1 1   -6    3   16 f  103.864   6.7218  107.987   13.963      ?      ? 
1 1 1   -6    3   17 o  668.984   4.6769  4477.46   62.544 12.37360 9.353772 
1 1 1   -6    3   18 o  287.420   3.9648  826.419   22.791      ?      ? 
1 1 1   -6    3   19 o   23.867   8.1707 -29.0686   11.988 4.187475 16.34134 
1 1 1   -6    3   20 o  156.050   5.8556  243.744   18.275      ?      ? 
1 1 1   -6    3   21 o  222.004   3.3000  492.531   14.642 10.55733 6.599970 
1 1 1   -6    3   22 o  368.156   3.1435  1356.31   23.145 2.851715 6.287068 
1 1 1   -6    3   23 o  121.741   5.1355  148.569   12.503 -1.686554 10.27110 
1 1 1   -6    3   24 o  203.666   3.4378  415.401   14.000 -5.176208 6.875640 
1 1 1   -6    3   25 o  159.147   4.1172  253.686   13.102 3.581512 8.234435 
1 1 1   -6    3   26 o  136.116   4.6508  185.969   12.632 -1.551041 9.301545 
1 1 1   -6    3   27 o   69.375   8.6601   49.510   11.770 4.694565 17.32030 
1 1 1   -6    3   28 o  170.866   3.6013  292.570   12.289 2.326981 7.202637 
1 1 1   -6    3   29 o  174.344   3.3984  305.463   11.831 -7.666763 6.796773 
1 1 1   -6    3   30 o  140.411   4.0834  198.501   11.455 -6.547287 8.166856 
1 1 1   -6    3   31 o  264.072   4.2161  698.068   22.267      ?      ? 
1 1 1   -6    3   32 o  109.727   4.9111  120.824   10.733 6.683411 9.822123 
1 1 1   -6    3   33 o   24.149   8.0807 -16.3448   10.355 3.156536 16.16143 
1 1 1   -6    3   34 o  143.880   5.8184  207.815   16.743      ?      ? 
1 1 1   -6    3   35 o   55.797   9.5647   34.416   10.721 -14.10119 19.12944 
1 1 1   -6    3   36 o   81.492   6.9398   67.756   11.308 0.8360596 13.87951 
1 1 1   -6    3   37 o   30.849   9.5474  -2.3494   11.253 2.600760 19.09487 
1 1 1   -6    3   38 o   80.235   7.2219   66.573   11.427 17.81702 14.44381 
1 1 1   -6    3   39 o   94.278   6.0319   91.070   11.348 -1.716957 12.06383 
1 1 1   -6    3   40 o   60.450   8.8774   39.804   10.365 -7.306198 17.75484 
1 1 1   -6    4    3 o  253.363   4.0409  642.377   20.476      ?      ? 
1 1 1   -6    4    4 o  211.389   3.8264  447.140   16.177      ?      ? 
1 1 1   -6    4    5 o  141.268   2.9865  199.609   8.4323 -2.148666 5.972932 
1 1 1   -6    4    6 o   90.127   3.6361   82.520   6.1455 -3.957191 7.272152 
1 1 1   -6    4    7 o  297.565   2.7877  891.782   15.777 -6.347473 5.575407 
1 1 1   -6    4    8 o  209.449   2.5204  438.222   9.9238 0.9666443 5.040788 
1 1 1   -6    4    9 o  317.080   2.4284  1005.90   15.400 0.1267700 4.856863 
1 1 1   -6    4   10 o  123.588   2.7353  152.592   6.7555 4.891907 5.470657 
1 1 1   -6    4   11 o  454.382   3.2401  2066.09   29.444 1.362701 6.480164 
1 1 1   -6    4   12 o  125.704   4.2579  158.100   10.705      ?      ? 
1 1 1   -6    4   13 o  318.513   2.6030  1014.38   16.577 -9.318909 5.205936 
1 1 1   -6    4   14 o  980.462   6.7392  9634.91  132.147 4.266968 13.47842 
1 1 1   -6    4   15 o  408.422   3.0996  1668.67   25.318 -3.946014 6.199163 
1 1 1   -6    4   16 o  502.422   3.6252  2525.62   36.425 3.458740 7.250348 
1 1 1   -6    4   17 f  374.367   2.9808  1402.12   22.318 -0.1501465 5.961510 
1 1 1   -6    4   18 o  631.694   6.3141  3994.28   79.771      ?      ? 
1 1 1   -6    4   20 o  119.016   7.3018  141.878   17.381      ?      ? 
1 1 1   -6    4   21 f  565.593   4.0903  3199.03   46.235 14.46869 8.180667 
1 1 1   -6    4   22 f  326.023   3.0511  1063.54   19.891 -2.257324 6.102237 
1 1 1   -6    4   23 o   91.849   6.8043   84.812   12.484 4.831963 13.60851 
1 1 1   -6    4   24 o  125.305   5.0856  157.533   12.737 4.923866 10.17113 
1 1 1   -6    4   25 o   58.622   10.267   36.180   12.448 22.41167 20.53436 
1 1 1   -6    4   26 o  325.398   3.0189  1060.28   19.646 0.5203857 6.037802 
1 1 1   -6    4   27 o  144.724   4.2309  210.014   12.237 7.708313 8.461708 
1 1 1   -6    4   28 o  264.645   2.9119  701.716   15.409 0.2134094 5.823734 
1 1 1   -6    4   29 o   51.116   10.078   27.749   10.722 -4.480988 20.15692 
1 1 1   -6    4   30 o   96.413   5.9568   94.161   11.473 6.673073 11.91360 
1 1 1   -6    4   31 f  226.616   4.8249  514.364   21.868      ?      ? 
1 1 1   -6    4   32 o   32.265   9.5072   2.5888   10.311 -3.652855 19.01449 
1 1 1   -6    4   33 o   90.733   6.0226   86.062   10.745 -9.918427 12.04519 
1 1 1   -6    4   34 o  154.193   3.8518  239.704   11.831 -8.272888 7.703571 
1 1 1   -6    4   35 o   79.517   6.7988   65.198   10.767 -2.792580 13.59754 
1 1 1   -6    4   36 o  123.740   4.6845  154.890   11.569 -1.267265 9.369008 
1 1 1   -6    4   37 o   49.884   10.513   27.054   11.237 0.2141800 21.02581 
1 1 1   -6    4   38 o   79.848   7.2000   66.364   11.431 -5.622154 14.39993 
1 1 1   -6    4   39 o   28.573   9.1399  -7.2013   11.236 -0.3962021 18.27986 
1 1 1   -6    4   40 o   55.631   9.2869   33.343   10.171 9.779602 18.57379 
1 1 1   -6    5    2 o  477.520   6.6472  2284.62   63.483      ?      ? 
1 1 1   -6    5    3 f  444.521   6.2212  1979.36   55.309      ?      ? 
1 1 1   -6    5    4 o  275.820   4.2488  761.385   23.438      ?      ? 
1 1 1   -6    5    5 o  236.092   2.8177  557.727   13.304 2.993408 5.635450 
1 1 1   -6    5    6 o  173.561   2.4030  301.706   7.9464 -0.6187592 4.806077 
1 1 1   -6    5    7 o  271.141   2.6470  731.481   13.487 4.392242 5.293937 
1 1 1   -6    5    8 f  219.115   2.5352  488.139   10.543 -11.74127 5.070340 
1 1 1   -6    5    9 o  575.169   4.9054  3308.83   53.026 2.591614 9.810745 
1 1 1   -6    5   10 o   71.884   6.3310   51.750   9.1019      ?      ? 
1 1 1   -6    5   11 o  184.770   2.3364  341.648   8.6296 -6.686356 4.672873 
1 1 1   -6    5   12 o  151.013   4.0001  228.152   12.081      ?      ? 
1 1 1   -6    5   13 o  702.316   4.8722  4938.62   68.437 1.139160 9.744498 
1 1 1   -6    5   14 o  105.702   6.3251  111.838   13.371      ?      ? 
1 1 1   -6    5   15 o  177.912   2.9928  316.601   10.642 0.7825165 5.985502 
1 1 1   -6    5   16 o  408.758   3.1180  1670.83   25.481 6.958344 6.235912 
1 1 1   -6    5   17 o  665.083   4.6576  4427.38   61.947 6.542236 9.315183 
1 1 1   -6    5   19 o  304.133   4.2059  925.361   25.583      ?      ? 
1 1 1   -6    5   20 o  153.726   5.7563  236.585   17.698      ?      ? 
1 1 1   -6    5   22 o  353.706   3.0921  1251.60   21.869 5.875031 6.184171 
1 1 1   -6    5   23 o  120.730   5.2297  146.150   12.626 -0.6817932 10.45933 
1 1 1   -6    5   24 o  155.947   4.1746  243.672   13.013 7.000549 8.349102 
1 1 1   -6    5   25 o  103.483   6.0741  107.395   12.482 16.86607 12.14814 
1 1 1   -6    5   26 o  194.451   3.4913  378.832   13.575 1.398865 6.982557 
1 1 1   -6    5   27 o  292.722   2.9204  858.136   17.096 -3.059235 5.840776 
1 1 1   -6    5   28 o  190.207   3.2850  362.566   12.492 -7.242508 6.570093 
1 1 1   -6    5   29 o  145.953   3.8816  213.981   11.329 3.083755 7.763172 
1 1 1   -6    5   30 o   53.226   10.405   30.102   11.880 17.33275 20.81078 
1 1 1   -6    5   31 o  135.685   6.5371  184.943   17.740      ?      ? 
1 1 1   -6    5   32 o  112.162   4.8223  126.902   10.791 1.170944 9.644566 
1 1 1   -6    5   34 o   34.176   9.9386   3.9758   11.077 6.628254 19.87713 
1 1 1   -6    5   35 o  117.642   4.7029  139.921   11.041 3.298668 9.405883 
1 1 1   -6    5   36 o   33.309   9.5947  -1.1706   11.126 17.35670 19.18937 
1 1 1   -6    5   37 o   89.948   6.4788   83.952   11.425 -6.335602 12.95753 
1 1 1   -6    5   38 f   29.537   9.3699  -6.2255   11.408 5.801821 18.73984 
1 1 1   -6    5   39 o   48.546   10.527   25.702   11.391 -8.116364 21.05375 
1 1 1   -6    5   40 o   27.950   9.1737 -11.2501   11.750 3.149084 18.34741 
1 1 1   -6    6    2 o  305.215   4.5015  932.408   27.478      ?      ? 
1 1 1   -6    6    3 o  268.272   4.1408  720.260   22.217      ?      ? 
1 1 1   -6    6    4 o  159.961   3.8141  256.047   12.202      ?      ? 
1 1 1   -6    6    5 o  172.786   2.8684  298.783   9.8711 0.4815674E-01 5.736720 
1 1 1   -6    6    6 o  372.387   3.2918  1377.60   22.932 7.764740 6.583673 
1 1 1   -6    6    7 o  321.594   2.9321  1040.84   17.940 -6.031128 5.864217 
1 1 1   -6    6    8 o  121.277   5.2581  147.251   12.754      ?      ? 
1 1 1   -6    6    9 o  398.704   3.5207  1598.19   26.600 -5.692230 7.041407 
1 1 1   -6    6   10 o  328.796   2.5181  1081.17   16.554 4.252686 5.036124 
1 1 1   -6    6   11 o  343.086   2.6333  1177.60   18.068 -2.342529 5.266504 
1 1 1   -6    6   12 o  121.198   3.3691  148.153   8.1007 -13.76630 6.738209 
1 1 1   -6    6   13 o  593.078   4.1548  3519.62   49.272 6.867981 8.309644 
1 1 1   -6    6   14 o  210.491   2.6542  443.318   11.171 -4.538986 5.308477 
1 1 1   -6    6   15 o  306.445   2.6980  939.205   16.532 2.754822 5.396059 
1 1 1   -6    6   16 o  663.315   4.6405  4404.42   61.561 2.575867 9.280986 
1 1 1   -6    6   17 o  159.661   5.1504  255.079   16.446      ?      ? 
1 1 1   -6    6   18 o  321.400   2.9639  1033.38   19.052 3.315308 5.927849 
1 1 1   -6    6   19 o  645.768   4.5699  4173.50   59.011 7.889648 9.139812 
1 1 1   -6    6   20 o  600.528   4.2907  3610.35   51.528 5.455627 8.581388 
1 1 1   -6    6   21 o  328.860   3.0568  1078.21   20.064 19.09692 6.113569 
1 1 1   -6    6   22 o  139.527   4.5337  195.124   12.644 -2.675690 9.067460 
1 1 1   -6    6   23 o  271.255   3.0156  736.481   16.359 -0.3920593 6.031157 
1 1 1   -6    6   24 o  472.818   3.5762  2238.23   33.809 6.752533 7.152422 
1 1 1   -6    6   25 o   46.566   10.982   20.697   12.138 -6.289845 21.96357 
1 1 1   -6    6   26 o  179.851   3.6236  324.673   13.018 -6.421188 7.247196 
1 1 1   -6    6   27 o  178.204   3.5131  318.234   12.519 4.517761 7.026228 
1 1 1   -6    6   28 o  101.151   5.4778  103.073   11.081 1.409866 10.95563 
1 1 1   -6    6   29 o   97.783   5.5253   97.268   10.711 -12.24366 11.05055 
1 1 1   -6    6   30 o   27.517   9.0700 -15.6205   12.232 -0.1658115 18.14003 
1 1 1   -6    6   31 o   35.742   14.720   5.2695   16.966      ?      ? 
1 1 1   -6    6   32 o  155.001   3.6391  241.418   11.276 6.454712 7.278165 
1 1 1   -6    6   36 o   35.710   10.108   7.6968   11.038 5.214893 20.21614 
1 1 1   -6    6   37 o  130.203   4.5163  171.703   11.714 -0.4852905 9.032572 
1 1 1   -6    6   38 o   95.330   6.1910   95.298   11.532 -15.62020 12.38197 
1 1 1   -6    6   39 o   57.386   9.8502   36.343   11.358 -14.42895 19.70030 
1 1 1   -6    6   40 o   74.476   9.3381   63.008   13.459 7.169403 18.67614 
1 1 1   -6    7    1 o  330.651   4.8030  1094.46   31.762      ?      ? 
1 1 1   -6    7    2 o  441.721   6.1736  1954.61   54.540      ?      ? 
1 1 1   -6    7    3 o  407.070   5.7414  1659.60   46.743      ?      ? 
1 1 1   -6    7    4 o  294.183   4.4308  866.224   26.070      ?      ? 
1 1 1   -6    7    5 o  366.567   3.7372  1345.30   27.396 -2.129517 7.474317 
1 1 1   -6    7    6 o  152.880   2.5728  237.992   7.4638 -8.999130 5.145513 
1 1 1   -6    7    7 o  250.492   2.5851  629.943   12.216 -2.624573 5.170135 
1 1 1   -6    7    8 f  194.505   2.5383  379.079   9.2612 -0.8825684 5.076650 
1 1 1   -6    7    9 o  316.513   3.0134  999.243   17.825 2.749237 6.026743 
1 1 1   -6    7   10 o  171.644   4.8966  294.835   16.809      ?      ? 
1 1 1   -6    7   11 o  434.575   3.1420  1889.59   27.308 0.4324341E-01 6.284099 
1 1 1   -6    7   12 o  316.792   2.5943  1004.00   16.432 -1.001740 5.188522 
1 1 1   -6    7   13 o  410.244   3.7370  1683.53   28.873 0.3441162 7.473959 
1 1 1   -6    7   14 f  293.835   2.6472  863.625   15.554 -8.063049 5.294488 
1 1 1   -6    7   15 o  643.784   4.5098  4147.66   58.056 7.362793 9.019510 
1 1 1   -6    7   16 o  139.630   5.5559  195.114   15.515      ?      ? 
1 1 1   -6    7   18 o  634.015   4.5026  4023.35   57.090 -4.700684 9.005154 
1 1 1   -6    7   19 o  335.714   3.0313  1127.63   20.352 -1.790253 6.062542 
1 1 1   -6    7   20 o  285.206   2.9819  813.418   17.004 -6.339081 5.963834 
1 1 1   -6    7   21 o  471.258   3.5534  2222.38   33.484 6.065155 7.106705 
1 1 1   -6    7   22 o  142.128   4.4971  202.554   12.771 5.367188 8.994136 
1 1 1   -6    7   23 o   75.950   8.3455   59.621   12.209 13.76667 16.69095 
1 1 1   -6    7   24 f  226.806   3.1874  515.062   14.458 1.253723 6.374834 
1 1 1   -6    7   25 o  138.066   6.5383  191.176   18.054      ?      ? 
1 1 1   -6    7   26 o  182.764   3.4984  334.832   12.773 0.2511749 6.996827 
1 1 1   -6    7   27 o   84.771   6.5815   72.761   11.121 -5.130913 13.16292 
1 1 1   -6    7   28 o   63.903   8.5799   42.726   10.685 -8.167942 17.15986 
1 1 1   -6    7   29 o  102.232   5.3688  105.554   10.928 12.42200 10.73763 
1 1 1   -6    7   30 o  226.225   4.5988  512.520   20.807      ?      ? 
1 1 1   -6    7   31 o  128.974   4.6280  168.288   11.870 -17.91315 9.255980 
1 1 1   -6    7   32 o   61.990   8.7131   41.768   10.510 -24.44950 17.42629 
1 1 1   -6    7   33 o  313.619   4.1449  985.176   25.999      ?      ? 
1 1 1   -6    7   35 o   92.560   5.9889   88.093   10.933 -14.42225 11.97778 
1 1 1   -6    7   36 o  158.664   3.7530  254.486   11.870 -5.984146 7.506042 
1 1 1   -6    7   37 o   53.378   10.196   31.707   11.264 -9.337830 20.39250 
1 1 1   -6    7   38 o  128.003   4.5538  165.983   11.627 0.1539917 9.107551 
1 1 1   -6    7   39 o   99.536   5.6751  100.784   11.282 6.274094 11.35022 
1 1 1   -6    8    1 o  186.505   3.5806  348.046   13.356      ?      ? 
1 1 1   -6    8    2 o  496.805   6.9036  2473.55   68.594      ?      ? 
1 1 1   -6    8    3 o  577.089   7.9750  3339.92   92.045      ?      ? 
1 1 1   -6    8    4 o  232.406   3.9265  540.497   18.251      ?      ? 
1 1 1   -6    8    5 o  267.774   2.9831  717.600   15.974 -0.6796265 5.966177 
1 1 1   -6    8    6 o  238.499   2.5202  569.944   11.356 -1.108002 5.040438 
1 1 1   -6    8    7 o  183.254   2.5662  340.085   8.8297 -6.675217 5.132425 
1 1 1   -6    8    8 o  172.722   2.7602  308.079   8.8421 -15.79512 5.520415 
1 1 1   -6    8    9 o  492.418   4.2706  2406.26   39.143 11.46695 8.541141 
1 1 1   -6    8   10 o  179.750   3.1149  339.572   10.170 -23.42688 6.229883 
1 1 1   -6    8   11 o  299.008   2.4927  893.708   14.894 4.930176 4.985462 
1 1 1   -6    8   12 o  251.655   2.4570  633.675   12.358 -2.227463 4.913943 
1 1 1   -6    8   13 o  254.343   2.5197  647.031   12.814 -8.676544 5.039443 
1 1 1   -6    8   14 o  140.229   3.5804  197.379   10.010 -9.712250 7.160745 
1 1 1   -6    8   15 o  418.834   3.1660  1749.98   26.462 17.47260 6.331982 
1 1 1   -6    8   16 o   57.525   9.2887   34.751   10.476 7.968903 18.57731 
1 1 1   -6    8   17 o  311.039   2.9307  967.941   18.229 1.404572 5.861496 
1 1 1   -6    8   18 o  268.747   4.2789  722.571   22.999      ?      ? 
1 1 1   -6    8   19 o  202.633   4.1127  414.164   15.785 4.892059 8.225482 
1 1 1   -6    8   20 o  200.224   3.4159  401.375   13.665 11.20105 6.831875 
1 1 1   -6    8   21 o  180.124   3.6465  324.675   13.133 -3.123932 7.293072 
1 1 1   -6    8   22 o  268.321   2.9958  720.858   16.070 5.100800 5.991646 
1 1 1   -6    8   23 o   99.916   6.1905  101.221   12.242 14.47274 12.38099 
1 1 1   -6    8   24 o   51.516   10.923   27.220   12.154 2.550495 21.84557 
1 1 1   -6    8   25 o  190.609   4.9691  364.041   18.943      ?      ? 
1 1 1   -6    8   26 o  304.524   2.9029  928.677   17.674 2.226318 5.805722 
1 1 1   -6    8   27 o  150.523   3.8300  227.066   11.522 4.659790 7.659975 
1 1 1   -6    8   28 o   57.977   9.0563   35.197   10.622 23.70123 18.11259 
1 1 1   -6    8   29 o  220.682   3.0117  488.390   13.287 5.204773 6.023434 
1 1 1   -6    8   31 o   49.660   9.9054   25.786   10.794 -17.95549 19.81074 
1 1 1   -6    8   32 o   64.686   8.8827   44.478   11.195 20.70055 17.76541 
1 1 1   -6    8   34 o   57.770   9.4362   36.376   10.654 0.8405075 18.87232 
1 1 1   -6    8   36 f   43.044   10.500   18.363   11.013 -3.378391 21.00023 
1 1 1   -6    8   37 o   29.588   9.3379  -4.8884   11.214 1.994715 18.67575 
1 1 1   -6    8   38 o  159.259   3.8237  255.343   12.131 3.943588 7.647440 
1 1 1   -6    8   39 o   84.268   6.6151   73.406   11.021 -11.47559 13.23012 
1 1 1   -6    9    1 o  463.228   6.4569  2149.70   59.821      ?      ? 
1 1 1   -6    9    2 o  254.790   3.9787  649.623   20.275      ?      ? 
1 1 1   -6    9    3 o  278.640   4.2471  776.994   23.668      ?      ? 
1 1 1   -6    9    4 f  536.795   7.4439  2887.99   79.917      ?      ? 
1 1 1   -6    9    5 o  375.253   3.8098  1409.15   28.585 -6.583710 7.619603 
1 1 1   -6    9    6 o  493.326   4.2431  2419.45   39.079 9.538513 8.486197 
1 1 1   -6    9    7 o  250.767   4.3629  629.242   21.881      ?      ? 
1 1 1   -6    9    8 f  398.368   3.5431  1579.57   26.376 5.918182 7.086170 
1 1 1   -6    9    9 o  218.857   2.8322  490.726   11.464 -14.42151 5.664476 
1 1 1   -6    9   10 o  501.300   4.3511  2514.31   41.006 0.5453491 8.702188 
1 1 1   -6    9   11 o  136.781   6.5656  187.294   17.961      ?      ? 
1 1 1   -6    9   12 o  476.320   3.4244  2269.35   32.617 -7.229156 6.848885 
1 1 1   -6    9   13 o  181.736   4.0731  330.401   14.804      ?      ? 
1 1 1   -6    9   14 o  178.727   2.9226  319.655   10.441 -7.302017 5.845182 
1 1 1   -6    9   15 o  156.600   3.2678  245.436   10.228 6.829132 6.535605 
1 1 1   -6    9   16 o  557.092   5.6361  3106.00   62.796      ?      ? 
1 1 1   -6    9   18 o  688.886   4.8410  4752.53   66.698 -0.6184082 9.682044 
1 1 1   -6    9   19 o  422.686   3.3036  1787.84   27.926 0.9030151 6.607140 
1 1 1   -6    9   20 o  304.792   2.9826  929.584   18.181 -3.655640 5.965185 
1 1 1   -6    9   21 o  157.262   4.0305  247.637   12.676 -2.667664 8.061031 
1 1 1   -6    9   22 o  143.682   4.2815  206.941   12.292 7.286545 8.562952 
1 1 1   -6    9   23 o  112.259   5.3911  126.433   12.102 -1.362244 10.78229 
1 1 1   -6    9   24 o  109.193   5.5828  119.688   12.191 -0.8483887 11.16557 
1 1 1   -6    9   25 o  298.587   2.9397  892.654   17.550 5.354980 5.879426 
1 1 1   -6    9   26 o  165.182   4.9690  273.513   16.416      ?      ? 
1 1 1   -6    9   27 o   80.876   6.8433   67.781   10.782 -17.71353 13.68665 
1 1 1   -6    9   28 o  199.099   3.0550  397.317   12.159 2.598312 6.110039 
1 1 1   -6    9   29 o  187.739   3.3942  354.005   12.738 -4.958603 6.788372 
1 1 1   -6    9   30 o  186.411   3.4487  348.448   12.849 3.746933 6.897450 
1 1 1   -6    9   31 f   42.333   9.9593   17.151   10.293 -12.23980 19.91853 
1 1 1   -6    9   32 o   46.623   10.845   23.316   11.688 0.8459206 21.69020 
1 1 1   -6    9   34 o  108.184   5.1412  119.726   11.037 -8.722527 10.28243 
1 1 1   -6    9   35 o   67.410   8.5324   49.176   11.028 -14.78011 17.06487 
1 1 1   -6    9   36 o   39.267   10.423   12.560   11.116 6.955235 20.84543 
1 1 1   -6    9   37 o   72.910   8.0126   56.689   11.256 -6.556381 16.02522 
1 1 1   -6    9   38 o   43.331   10.238   18.664   11.190 -14.50082 20.47599 
1 1 1   -6    9   39 f   48.305   9.3082   24.577   10.603 -27.81635 18.61639 
1 1 1   -6   10    1 o  230.546   3.8135  531.817   17.584      ?      ? 
1 1 1   -6   10    2 f  394.071   5.5854  1554.79   44.021      ?      ? 
1 1 1   -6   10    3 o  310.695   4.6142  966.083   28.672      ?      ? 
1 1 1   -6   10    4 o  193.599   3.8221  375.003   14.799      ?      ? 
1 1 1   -6   10    5 o  529.693   5.2102  2808.64   55.159 11.08112 10.42043 
1 1 1   -6   10    6 o  326.392   3.0034  1060.90   18.378 4.321686 6.006784 
1 1 1   -6   10    7 o   94.932   6.9428   90.248   13.182      ?      ? 
1 1 1   -6   10    8 o  374.132   3.4051  1369.44   23.311 20.18884 6.810164 
1 1 1   -6   10    9 o  379.861   3.4705  1430.76   24.434 8.992218 6.940912 
1 1 1   -6   10   10 o  376.000   3.4510  1422.28   24.525 -6.384521 6.902048 
1 1 1   -6   10   11 o  344.665   3.3245  1192.85   21.467 -3.659454 6.649060 
1 1 1   -6   10   12 o  446.518   4.0026  1995.96   33.583 -0.5990295 8.005153 
1 1 1   -6   10   13 o  152.825   3.0717  233.784   9.3608 -1.077026 6.143386 
1 1 1   -6   10   14 o  155.691   3.1272  242.533   9.7355 -0.6493835 6.254487 
1 1 1   -6   10   15 o  343.617   2.8366  1181.02   19.493 -5.863617 5.673271 
1 1 1   -6   10   16 o  643.223   4.5265  4136.00   58.171 18.09772 9.053020 
1 1 1   -6   10   17 o  204.101   3.2067  415.816   13.043 24.35374 6.413486 
1 1 1   -6   10   18 o  380.718   3.0945  1449.66   23.556 8.268402 6.188990 
1 1 1   -6   10   19 o  270.622   2.9879  732.823   16.171 -0.6972656 5.975815 
1 1 1   -6   10   20 o  173.754   3.7042  302.114   12.869 -5.849380 7.408398 
1 1 1   -6   10   21 o  125.450   4.8931  157.739   12.263 -7.849258 9.786258 
1 1 1   -6   10   22 o  391.876   3.1712  1537.26   24.853 3.635773 6.342482 
1 1 1   -6   10   23 o  263.201   2.9729  693.110   15.645 8.588196 5.945839 
1 1 1   -6   10   24 o  346.321   4.2823  1201.05   29.661      ?      ? 
1 1 1   -6   10   25 o  126.523   4.5227  161.031   11.422 -6.870277 9.045377 
1 1 1   -6   10   26 o  163.801   3.5183  268.741   11.507 3.026352 7.036690 
1 1 1   -6   10   27 o  272.557   2.8294  744.468   15.422 3.040802 5.658840 
1 1 1   -6   10   28 o  141.633   3.9250  201.797   11.099 -9.720139 7.849961 
1 1 1   -6   10   29 o   99.685   5.7947   99.674   11.464 16.85203 11.58945 
1 1 1   -6   10   30 o   58.102   9.0376   35.800   10.554 21.08815 18.07514 
1 1 1   -6   10   31 o  101.459   5.1491  104.164   10.408 11.37049 10.29816 
1 1 1   -6   10   32 o  141.686   5.9072  201.487   16.739      ?      ? 
1 1 1   -6   10   33 o   29.116   9.1938  -6.9591   11.208 -6.673311 18.38759 
1 1 1   -6   10   34 o  112.177   5.0275  128.338   11.186 -13.02480 10.05493 
1 1 1   -6   10   35 o   30.000   9.3639  -2.9346   11.004 -0.2484493 18.72785 
1 1 1   -6   10   36 o  109.220   5.2721  121.292   11.377 -0.1074524 10.54420 
1 1 1   -6   10   37 o   46.302   10.557   21.833   11.334 12.86991 21.11370 
1 1 1   -6   10   38 o   80.851   7.1063   66.896   11.445 10.27243 14.21256 
1 1 1   -6   10   39 o   90.211   5.7508   84.658   10.337 -5.511253 11.50166 
1 1 1   -6   11    1 o  407.464   5.7610  1662.14   46.948      ?      ? 
1 1 1   -6   11    2 o  462.018   6.4723  2137.58   59.806      ?      ? 
1 1 1   -6   11    3 o  338.198   4.9543  1144.68   33.511      ?      ? 
1 1 1   -6   11    4 o  203.682   3.9471  415.063   16.079      ?      ? 
1 1 1   -6   11    5 o   81.143   4.8157   67.303   7.6534 -14.31422 9.631486 
1 1 1   -6   11    6 o  340.337   3.1201  1147.32   19.749 9.090820 6.240207 
1 1 1   -6   11    7 o  469.720   4.0689  2201.88   35.859 3.795837 8.137864 
1 1 1   -6   11    8 o  227.123   2.7215  515.369   11.409 0.7399750 5.443095 
1 1 1   -6   11    9 o  221.646   2.8374  501.569   11.643 -12.47490 5.674857 
1 1 1   -6   11   10 o  204.007   3.0061  420.185   11.251 -4.800339 6.012200 
1 1 1   -6   11   11 o  214.503   3.0679  469.122   12.177 -11.18068 6.135828 
1 1 1   -6   11   12 o   55.161   8.5983   37.233   9.2525 -28.46552 17.19666 
1 1 1   -6   11   13 o  620.034   4.3386  3844.00   53.755 14.70496 8.677157 
1 1 1   -6   11   14 o  222.502   3.8355  495.249   17.068      ?      ? 
1 1 1   -6   11   15 o  323.894   2.8018  1049.12   18.144 4.504517 5.603534 
1 1 1   -6   11   16 o  263.807   3.9464  696.206   20.822      ?      ? 
1 1 1   -6   11   17 o  162.806   5.2143  265.307   16.978      ?      ? 
1 1 1   -6   11   19 o  322.149   2.9090  1038.31   18.741 -3.632721 5.818065 
1 1 1   -6   11   20 o  354.561   2.9874  1258.04   21.183 4.587219 5.974789 
1 1 1   -6   11   21 o  352.516   3.0232  1243.53   21.310 -5.431854 6.046320 
1 1 1   -6   11   22 o  239.648   3.0268  574.951   14.507 2.049316 6.053550 
1 1 1   -6   11   23 o  282.034   2.9364  796.155   16.561 -3.099915 5.872784 
1 1 1   -6   11   24 o  197.010   3.2681  388.922   12.877 -1.524841 6.536231 
1 1 1   -6   11   25 o  133.130   4.2317  177.850   11.267 1.640030 8.463423 
1 1 1   -6   11   26 o  122.995   4.3805  151.978   10.773 0.1930237 8.761030 
1 1 1   -6   11   27 o  131.402   4.1434  173.594   10.881 -6.061401 8.286869 
1 1 1   -6   11   28 o  163.990   3.5032  270.760   11.471 -7.214264 7.006480 
1 1 1   -6   11   29 o   96.742   5.7653   94.905   11.054 -11.98818 11.53055 
1 1 1   -6   11   30 o  114.428   4.5790  132.409   10.444 -9.223518 9.157971 
1 1 1   -6   11   31 o   69.906   7.8801   52.363   10.584 -14.38829 15.76022 
1 1 1   -6   11   32 o  177.992   5.0696  317.775   18.047      ?      ? 
1 1 1   -6   11   33 o  109.855   4.9991  122.223   10.971 5.802116 9.998117 
1 1 1   -6   11   34 o  111.991   4.9901  126.160   11.133 4.696800 9.980137 
1 1 1   -6   11   35 o  147.063   3.9700  218.569   11.609 -3.090347 7.940023 
1 1 1   -6   11   36 o   45.545   10.516   21.887   11.039 -2.986683 21.03231 
1 1 1   -6   11   37 o  103.849   5.5258  108.609   11.409 11.81243 11.05164 
1 1 1   -6   11   38 o  144.536   4.0857  209.862   11.772 6.569092 8.171407 
1 1 1   -6   12    1 o  653.525   9.0269  4281.02  117.987      ?      ? 
1 1 1   -6   12    2 o  745.859   10.280  5579.80  153.346      ?      ? 
1 1 1   -6   12    3 o  339.904   4.9963  1156.15   33.965      ?      ? 
1 1 1   -6   12    4 f  320.829   4.8150  1029.96   30.896      ?      ? 
1 1 1   -6   12    5 o  743.962   7.2528  5536.34  107.703 28.16522 14.50550 
1 1 1   -6   12    6 o  291.903   4.6549  852.554   27.176      ?      ? 
1 1 1   -6   12    7 o  313.487   3.0155  962.840   17.312 15.80911 6.031054 
1 1 1   -6   12    8 o  419.428   3.7293  1749.87   29.148 6.722260 7.458519 
1 1 1   -6   12    9 o  718.234   6.0917  5150.44   82.104 6.240662 12.18346 
1 1 1   -6   12   10 o  356.430   3.3210  1250.44   21.863 14.76865 6.641984 
1 1 1   -6   12   11 o  432.063   3.8555  1854.98   31.095 8.289001 7.710949 
1 1 1   -6   12   12 o  388.769   3.5903  1504.29   26.126 5.771545 7.180502 
1 1 1   -6   12   13 o  414.435   3.8133  1727.65   29.858 -6.684052 7.626635 
1 1 1   -6   12   14 o  262.843   2.6729  691.107   14.051 0.6453857 5.345814 
1 1 1   -6   12   15 o  450.348   3.3521  2027.34   30.172 10.82513 6.704193 
1 1 1   -6   12   16 o  367.799   2.9718  1353.50   21.860 2.422455 5.943574 
1 1 1   -6   12   17 o  108.793   5.1270  118.599   11.101 -14.24193 10.25391 
1 1 1   -6   12   18 o  142.653   5.7603  203.750   16.434      ?      ? 
1 1 1   -6   12   19 o   54.911   10.065   31.533   11.214 -7.663944 20.13065 
1 1 1   -6   12   20 o  165.349   3.6769  273.904   12.154 -3.890182 7.353772 
1 1 1   -6   12   21 o  115.803   4.9847  134.307   11.534 7.044640 9.969456 
1 1 1   -6   12   22 o  205.134   3.1763  421.339   13.028 -6.184647 6.352526 
1 1 1   -6   12   23 o  210.419   3.1812  443.512   13.387 2.233093 6.362457 
1 1 1   -6   12   24 o  227.958   2.9653  520.575   13.517 5.651764 5.930535 
1 1 1   -6   12   25 o  101.064   5.3721  103.330   10.776 14.28560 10.74427 
1 1 1   -6   12   26 o  178.881   3.2405  321.106   11.586 -3.348831 6.480960 
1 1 1   -6   12   27 o   86.049   6.0172   75.202   10.310 -6.925842 12.03434 
1 1 1   -6   12   29 o  128.468   4.1834  166.530   10.736 8.884140 8.366892 
1 1 1   -6   12   30 o   32.469   9.4005   2.7154   10.129 -8.561445 18.80103 
1 1 1   -6   12   31 o   43.295   15.121   17.645   16.152      ?      ? 
1 1 1   -6   12   32 f   21.740   7.5573 -31.8107   11.342 2.546864 15.11470 
1 1 1   -6   12   33 f   24.973   8.3039 -15.0332   10.656 -1.109064 16.60784 
1 1 1   -6   12   34 o   28.129   9.0095  -7.7424   10.849 5.444084 18.01894 
1 1 1   -6   12   35 f   36.924   10.203   9.3596   10.916 5.996651 20.40636 
1 1 1   -6   12   36 o   94.059   5.9668   90.419   11.148 2.025513 11.93366 
1 1 1   -6   12   37 o   79.146   7.0691   64.647   11.078 0.1083374E-01 14.13827 
1 1 1   -6   12   38 o   38.898   10.162   13.312   10.520 -3.348019 20.32469 
1 1 1   -6   13    1 o  331.659   4.8857  1100.67   32.408      ?      ? 
1 1 1   -6   13    2 o  477.909   6.6952  2286.65   63.994      ?      ? 
1 1 1   -6   13    3 o  382.182   5.5218  1461.78   42.207      ?      ? 
1 1 1   -6   13    4 o  517.856   7.2341  2685.31   74.924      ?      ? 
1 1 1   -6   13    5 o  229.576   2.9309  524.727   13.389 10.42691 5.861742 
1 1 1   -6   13    6 o  265.342   2.7847  707.046   13.846 -2.997650 5.569433 
1 1 1   -6   13    7 o  532.030   4.5607  2845.53   46.006 -7.534668 9.121457 
1 1 1   -6   13    8 o  349.672   3.2299  1212.20   21.004 8.454742 6.459759 
1 1 1   -6   13    9 o  463.670   4.0637  2133.21   35.095 10.63052 8.127302 
1 1 1   -6   13   10 o  339.609   3.2057  1171.08   20.864 -18.62619 6.411341 
1 1 1   -6   13   11 o  176.615   3.2522  315.513   10.718 -5.516510 6.504362 
1 1 1   -6   13   12 o  149.972   6.3158  225.138   18.944      ?      ? 
1 1 1   -6   13   13 o  441.148   4.0245  1926.90   32.965 12.41061 8.048959 
1 1 1   -6   13   14 o  421.604   3.9254  1743.51   30.448 20.85245 7.850824 
1 1 1   -6   13   15 f  176.946   4.4408  313.304   15.716      ?      ? 
1 1 1   -6   13   16 o  117.643   4.5913  138.613   10.794 -5.999924 9.182547 
1 1 1   -6   13   17 f  333.852   2.8960  1113.77   19.323 12.00888 5.792027 
1 1 1   -6   13   18 o  447.359   3.3654  2003.22   30.111 1.049591 6.730897 
1 1 1   -6   13   19 o  564.331   4.0454  3189.75   45.659 -0.6574707 8.090898 
1 1 1   -6   13   20 o  184.035   3.3766  339.094   12.420 -9.160248 6.753200 
1 1 1   -6   13   21 o  175.072   3.4404  306.769   12.043 4.992111 6.880712 
1 1 1   -6   13   22 o  213.944   4.2612  458.290   18.233      ?      ? 
1 1 1   -6   13   23 o   42.834   10.344   17.284   10.678 2.811317 20.68857 
1 1 1   -6   13   24 o  129.003   4.2437  167.064   10.945 -1.419022 8.487308 
1 1 1   -6   13   25 o  134.683   4.0124  182.120   10.807 2.511536 8.024873 
1 1 1   -6   13   26 o  170.673   3.2627  292.659   11.118 -6.526047 6.525322 
1 1 1   -6   13   27 o   32.999   9.6572   2.8752   10.672 -5.922245 19.31431 
1 1 1   -6   13   29 o  130.036   4.0856  170.561   10.578 -3.484497 8.171199 
1 1 1   -6   13   30 o   96.311   5.5832   94.759   10.736 -5.345123 11.16633 
1 1 1   -6   13   32 o   30.584   9.4288  -1.6135   10.775 3.054499 18.85755 
1 1 1   -6   13   33 o  113.321   4.8990  129.683   11.031 -0.3824997 9.797931 
1 1 1   -6   13   34 o  112.779   4.9722  127.516   11.149 15.10921 9.944397 
1 1 1   -6   13   35 o   57.198   9.6560   36.174   10.885 -6.127945 19.31208 
1 1 1   -6   13   36 o  105.618   5.3606  114.783   11.159 -7.837883 10.72122 
1 1 1   -6   13   37 o   59.462   9.4650   38.001   10.877 3.617699 18.92999 
1 1 1   -6   13   38 o  100.569   5.1255  105.452   10.144 -1.094009 10.25097 
1 1 1   -6   14    1 o  241.860   2.9764  568.602   14.117 -33.75984 5.952836 
1 1 1   -6   14    2 o  289.938   4.5252  841.038   26.241      ?      ? 
1 1 1   -6   14    3 o  410.843   5.8753  1689.24   48.276      ?      ? 
1 1 1   -6   14    4 o  295.044   4.6706  870.929   27.560      ?      ? 
1 1 1   -6   14    5 o  435.060   4.3845  1889.89   38.069 14.88718 8.768966 
1 1 1   -6   14    6 o  424.852   3.7567  1789.08   29.646 10.61362 7.513425 
1 1 1   -6   14    7 o  435.971   3.8571  1846.90   30.599 29.72952 7.714262 
1 1 1   -6   14    8 o  346.522   3.2283  1190.19   20.851 8.751038 6.456525 
1 1 1   -6   14    9 o  196.487   4.8276  386.293   18.971      ?      ? 
1 1 1   -6   14   10 o  427.058   3.8384  1819.90   30.718 3.362244 7.676763 
1 1 1   -6   14   11 o  523.334   4.6104  2644.94   43.501 41.58719 9.220850 
1 1 1   -6   14   12 o  250.349   3.1911  641.341   15.028 -17.73462 6.382285 
1 1 1   -6   14   13 o  499.938   7.2584  2502.63   72.575      ?      ? 
1 1 1   -6   14   14 o  508.668   4.5154  2588.46   43.103 1.207214 9.030740 
1 1 1   -6   14   15 o  373.088   3.6482  1401.02   25.691 -6.582977 7.296310 
1 1 1   -6   14   16 o  249.916   2.7742  624.890   13.865 1.307129 5.548318 
1 1 1   -6   14   17 o  263.597   2.7709  695.254   14.608 1.820374 5.541826 
1 1 1   -6   14   18 o  354.178   2.9332  1255.27   20.775 3.358154 5.866314 
1 1 1   -6   14   19 o  196.637   3.1454  387.108   12.367 6.226959 6.290885 
1 1 1   -6   14   20 o   26.078   8.4750 -16.6858   10.756 10.20004 16.95009 
1 1 1   -6   14   21 o  122.793   6.5780  151.197   16.155      ?      ? 
1 1 1   -6   14   22 o   52.177   9.7665   28.316   10.622 15.82299 19.53305 
1 1 1   -6   14   23 o  417.663   3.2037  1747.44   26.758 5.467682 6.407434 
1 1 1   -6   14   24 o   30.504   9.1724  -1.1080   10.091 7.083569 18.34483 
1 1 1   -6   14   25 o  151.735   3.4861  230.989   10.573 1.263367 6.972139 
1 1 1   -6   14   26 f  114.233   4.5182  131.888   10.283 -7.057091 9.036390 
1 1 1   -6   14   27 o  192.187   3.3728  367.536   12.905 12.23332 6.745694 
1 1 1   -6   14   28 o  134.527   4.2374  181.164   11.313 8.655563 8.474727 
1 1 1   -6   14   29 o  103.846   5.0615  110.144   10.390 -10.29488 10.12298 
1 1 1   -6   14   31 o   27.126   8.8513 -12.0060   11.367 -2.729239 17.70252 
1 1 1   -6   14   32 o  127.311   4.3859  164.287   11.065 -2.645432 8.771839 
1 1 1   -6   14   33 o   59.548   9.1500   39.333   10.823 -19.67850 18.30002 
1 1 1   -6   14   34 o  136.338   4.1162  188.541   11.129 -4.791428 8.232423 
1 1 1   -6   14   35 o  145.685   3.9141  214.426   11.305 -0.1441803 7.828297 
1 1 1   -6   14   36 o   87.778   6.2527   76.613   10.811 17.62554 12.50537 
1 1 1   -6   14   37 o  128.515   4.2674  166.327   10.805 1.764069 8.534708 
1 1 1   -6   15    1 o  231.955   2.9875  536.456   13.834 18.25584 5.974991 
1 1 1   -6   15    2 o  435.064   6.1659  1894.45   53.651      ?      ? 
1 1 1   -6   15    3 f  423.676   6.0502  1796.54   51.266      ?      ? 
1 1 1   -6   15    4 o  502.764   7.0811  2530.73   71.203      ?      ? 
1 1 1   -6   15    5 o  372.026   3.8163  1373.57   28.198 24.75201 7.632512 
1 1 1   -6   15    6 o  422.157   3.7415  1748.25   29.044 20.68204 7.483018 
1 1 1   -6   15    7 o  525.101   4.5515  2700.75   43.807 27.54272 9.102919 
1 1 1   -6   15    8 o  276.784   4.8215  766.525   26.690      ?      ? 
1 1 1   -6   15    9 o  197.570   3.1148  410.318   11.411 -30.24046 6.229568 
1 1 1   -6   15   10 o  570.340   4.9665  3162.29   51.422 38.47339 9.933012 
1 1 1   -6   15   11 f  296.623   3.1518  898.074   17.838 -21.42371 6.303618 
1 1 1   -6   15   12 f  118.377   4.7827  134.746   10.731 14.07156 9.565493 
1 1 1   -6   15   13 o  439.051   4.0105  1906.26   32.602 13.81287 8.021051 
1 1 1   -6   15   14 f  324.680   3.4479  1054.52   20.886 0.2881470 6.895856 
1 1 1   -6   15   15 f  433.199   3.9975  1876.97   32.557 1.068024 7.995004 
1 1 1   -6   15   16 o  410.109   3.8772  1671.46   29.633 8.180267 7.754423 
1 1 1   -6   15   17 o  266.088   2.7394  708.489   14.578 -2.911591 5.478821 
1 1 1   -6   15   18 o  119.814   4.3954  143.786   10.529 -4.088432 8.790796 
1 1 1   -6   15   19 o   26.629   8.5877 -11.5417   10.443 6.287312 17.17547 
1 1 1   -6   15   20 o  400.254   3.1334  1603.92   25.082 3.555450 6.266749 
1 1 1   -6   15   21 o  151.070   3.7369  228.767   11.290 1.068420 7.473780 
1 1 1   -6   15   22 o  246.666   2.7585  609.317   13.608 0.6351318 5.517075 
1 1 1   -6   15   23 o   51.598   9.4091   28.018   10.123 17.84236 18.81821 
1 1 1   -6   15   24 o  104.231   4.7692  109.269   9.9391 -3.103539 9.538484 
1 1 1   -6   15   25 o   76.887   6.3276   59.943   9.6980 -2.195442 12.65521 
1 1 1   -6   15   26 o   22.511   10.860 -22.3956   14.633      ?      ? 
1 1 1   -6   15   27 o   66.871   8.3456   54.471   10.970 -58.27243 16.69124 
1 1 1   -6   15   28 o   91.438   5.6521   86.768   10.076 -17.50746 11.30417 
1 1 1   -6   15   29 o   22.669   7.6925 -24.8450   10.416 9.025877 15.38494 
1 1 1   -6   15   31 o  136.545   4.1505  187.292   11.240 5.451645 8.300919 
1 1 1   -6   15   32 o  149.647   3.7966  227.468   11.183 -9.809067 7.593260 
1 1 1   -6   15   33 o   29.254   9.1086  -4.4939   10.352 8.285866 18.21723 
1 1 1   -6   15   34 o   28.302   8.9337  -5.1899   10.132 5.915182 17.86750 
1 1 1   -6   15   35 o  149.040   3.8000  225.971   11.144 -7.151367 7.600022 
1 1 1   -6   15   36 o   51.124   9.9231   29.038   10.560 -9.102093 19.84624 
1 1 1   -6   15   37 o   40.653   9.5004   16.138   9.4233 15.14192 19.00072 
1 1 1   -6   16    1 o  221.111   3.0390  489.474   13.419 3.109879 6.077950 
1 1 1   -6   16    2 o  240.371   3.1342  576.280   15.034 -10.58855 6.268396 
1 1 1   -6   16    3 o  488.506   6.8737  2389.17   67.156      ?      ? 
1 1 1   -6   16    4 o  199.238   4.3722  397.144   17.422      ?      ? 
1 1 1   -6   16    5 o  378.516   3.8858  1410.07   29.023 36.53207 7.771637 
1 1 1   -6   16    6 o  120.160   6.0690  144.514   14.585      ?      ? 
1 1 1   -6   16    7 o  264.625   2.8802  696.784   14.182 3.823547 5.760387 
1 1 1   -6   16    8 o  799.206   6.8265  6258.90   99.761 42.79968 13.65303 
1 1 1   -6   16    9 o  208.065   5.2200  433.195   21.722      ?      ? 
1 1 1   -6   16   10 o  352.740   5.5560  1245.22   39.197      ?      ? 
1 1 1   -6   16   11 o   86.943   10.503   75.862   18.262      ?      ? 
1 1 1   -6   16   12 o  272.837   3.1715  739.062   16.043 5.584473 6.343036 
1 1 1   -6   16   13 o  259.094   3.2888  651.287   15.553 18.83513 6.577644 
1 1 1   -6   16   14 o  410.852   3.8099  1702.00   29.719 -9.691254 7.619743 
1 1 1   -6   16   15 o  441.272   4.0364  1922.00   32.967 16.23859 8.072730 
1 1 1   -6   16   16 o  321.526   3.4101  1035.59   20.568 -0.7015381 6.820146 
1 1 1   -6   16   17 o  227.766   3.4349  521.093   14.617 -2.135468 6.869802 
1 1 1   -6   16   18 o  232.076   3.9296  539.100   18.239      ?      ? 
1 1 1   -6   16   19 o  455.422   3.4011  2077.00   30.978 -1.586334 6.802139 
1 1 1   -6   16   20 o  283.174   2.7794  802.731   15.739 -3.553040 5.558761 
1 1 1   -6   16   21 o  104.195   4.9077  109.065   10.226 -1.091431 9.815464 
1 1 1   -6   16   22 o  104.643   4.7587  110.230   9.9338 -8.554497 9.517442 
1 1 1   -6   16   23 o   61.288   8.1302   39.240   9.6865 13.28828 16.26037 
1 1 1   -6   16   24 o  124.465   4.0301  155.635   10.027 0.3945084 8.060146 
1 1 1   -6   16   25 o   95.785   5.4541   92.196   10.391 14.02665 10.90829 
1 1 1   -6   16   27 o  144.382   3.5897  209.228   10.341 2.701752 7.179311 
1 1 1   -6   16   28 o  152.771   3.4499  234.927   10.500 -2.582932 6.899705 
1 1 1   -6   16   30 o   59.010   9.4426   37.998   10.809 -1.615566 18.88529 
1 1 1   -6   16   31 o  131.078   4.1352  173.066   10.725 1.397400 8.270423 
1 1 1   -6   16   32 f   23.836   8.0035 -16.0819   10.185 1.742334 16.00702 
1 1 1   -6   16   33 o  121.420   4.4717  148.523   10.723 3.473160 8.943427 
1 1 1   -6   16   34 o   45.451   9.5747   22.656   10.114 -17.11427 19.14941 
1 1 1   -6   16   35 o   80.666   6.5857   67.430   10.439 -4.456245 13.17144 
1 1 1   -6   16   36 o   88.227   5.8246   78.090   10.190 15.64056 11.64930 
1 1 1   -6   17    1 o  444.877   4.5117  1979.64   40.124 10.64880 9.023450 
1 1 1   -6   17    2 o  313.328   3.4871  964.955   21.556 -32.21500 6.974254 
1 1 1   -6   17    3 o  328.136   3.6507  1007.04   22.857 -69.86328 7.301375 
1 1 1   -6   17    4 o  430.168   6.1991  1852.25   53.333      ?      ? 
1 1 1   -6   17    5 o  372.656   3.8921  1389.35   28.988 3.016632 7.784287 
1 1 1   -6   17    6 f  361.926   3.3777  1300.06   22.717 7.761078 6.755303 
1 1 1   -6   17    7 f  445.677   3.9605  1978.15   32.933 5.832916 7.920987 
1 1 1   -6   17    8 o  311.983   5.2123  974.015   32.523      ?      ? 
1 1 1   -6   17    9 o  183.351   3.1824  342.648   10.820 -9.423309 6.364867 
1 1 1   -6   17   10 o  307.662   3.2077  925.217   17.992 16.99814 6.415433 
1 1 1   -6   17   11 o  541.677   4.7355  2898.22   47.428 18.84235 9.471093 
1 1 1   -6   17   12 o  260.774   3.1644  675.475   15.381 5.209747 6.328778 
1 1 1   -6   17   13 f   94.078   6.8453  100.787   10.891 -27.65543 13.69068 
1 1 1   -6   17   14 o  485.919   4.3179  2353.17   39.267 6.631622 8.635831 
1 1 1   -6   17   15 o  120.861   5.3045  157.053   11.373 -20.91898 10.60891 
1 1 1   -6   17   16 o  401.170   3.7645  1605.81   28.234 4.059509 7.529059 
1 1 1   -6   17   17 o  152.910   4.4056  243.779   12.235 -15.68874 8.811233 
1 1 1   -6   17   18 o  369.981   3.6779  1360.96   25.320 7.217712 7.355752 
1 1 1   -6   17   19 o  253.573   3.9029  643.808   19.794      ?      ? 
1 1 1   -6   17   20 o   90.707   5.4697   82.778   9.9213 1.141060 10.93937 
1 1 1   -6   17   21 o  295.521   2.7102  874.373   16.013 3.535309 5.420412 
1 1 1   -6   17   22 o  103.275   4.7359  108.224   9.6824 -15.12574 9.471871 
1 1 1   -6   17   23 f  302.844   2.7121  917.948   16.413 8.919830 5.424173 
1 1 1   -6   17   24 o   36.501   9.8070   10.209   9.8835 0.2967377 19.61406 
1 1 1   -6   17   25 o  255.793   3.9936  654.912   20.431      ?      ? 
1 1 1   -6   17   26 o  158.921   3.4102  253.400   10.808 5.103836 6.820327 
1 1 1   -6   17   27 o   81.902   5.8125   68.033   9.5051 -0.3781738 11.62506 
1 1 1   -6   17   29 o   87.512   6.0791   77.810   10.617 1.104851 12.15818 
1 1 1   -6   17   30 f   25.875   8.3488  -8.1977   9.7099 -1.793079 16.69750 
1 1 1   -6   17   31 o  184.916   3.1723  344.496   11.663 -6.399551 6.344554 
1 1 1   -6   17   32 o  139.598   4.0607  196.331   11.205 1.163025 8.121479 
1 1 1   -6   17   33 o  121.432   4.6390  151.415   11.030 -9.743637 9.277936 
1 1 1   -6   17   34 o  130.980   4.2099  174.131   10.880 -3.239563 8.419761 
1 1 1   -6   17   35 o  120.698   4.5637  148.866   10.835 -8.547546 9.127465 
1 1 1   -6   17   36 o   96.755   4.7468   95.555   9.1596 10.20206 9.493687 
1 1 1   -6   18    1 o  254.511   3.3131  640.562   16.739 -23.60274 6.626225 
1 1 1   -6   18    2 o  407.726   4.2372  1649.56   34.336 -29.92535 8.474330 
1 1 1   -6   18    3 f  762.435   7.4668  5824.94  113.803 14.20740 14.93351 
1 1 1   -6   18    4 o  593.857   8.3039  3532.57   98.627      ?      ? 
1 1 1   -6   18    5 o  716.179   7.0241  5111.38  100.134 42.16449 14.04829 
1 1 1   -6   18    6 o  450.997   4.0044  2002.24   33.275 18.75430 8.008851 
1 1 1   -6   18    7 o  603.247   5.1790  3624.08   58.355 9.602295 10.35805 
1 1 1   -6   18    8 o  158.214   5.8212  250.598   18.420      ?      ? 
1 1 1   -6   18    9 o  256.045   5.0510  656.117   25.866      ?      ? 
1 1 1   -6   18   10 o  177.607   3.4503  313.525   11.212 2.958801 6.900651 
1 1 1   -6   18   11 f  187.310   3.4915  361.499   11.908 -13.89507 6.983054 
1 1 1   -6   18   12 o  181.225   3.5219  338.029   11.757 -13.77806 7.043879 
1 1 1   -6   18   13 o  240.057   3.1326  576.415   14.073 0.3787384 6.265211 
1 1 1   -6   18   14 o  193.337   3.4499  374.766   12.286 -0.7654114 6.899867 
1 1 1   -6   18   15 o  182.103   3.6455  341.555   12.154 -13.49745 7.291049 
1 1 1   -6   18   16 o  113.870   5.5994  139.742   11.222 -19.47270 11.19888 
1 1 1   -6   18   17 o  160.086   4.2010  257.571   12.367 -1.289520 8.402050 
1 1 1   -6   18   18 o  290.144   3.3876  855.065   18.405 -11.82480 6.775266 
1 1 1   -6   18   19 o  256.984   3.7584  659.218   19.259 14.60744 7.516755 
1 1 1   -6   18   20 o   66.340   9.4180   47.978   11.014 -9.509727 18.83594 
1 1 1   -6   18   21 o  269.717   2.6219  728.568   14.140 2.613922 5.243886 
1 1 1   -6   18   22 o  131.214   3.7009  173.008   9.7031 -5.608978 7.401742 
1 1 1   -6   18   23 o  185.510   2.9881  345.255   11.082 0.3578033 5.976148 
1 1 1   -6   18   25 o  171.624   4.6103  296.282   15.825      ?      ? 
1 1 1   -6   18   26 o  115.213   4.1613  133.635   9.5524 0.6980591 8.322694 
1 1 1   -6   18   27 o  107.804   6.2546  118.375   13.485      ?      ? 
1 1 1   -6   18   29 o   35.926   9.6028   10.336   9.3433 3.054203 19.20565 
1 1 1   -6   18   30 o  180.145   3.1376  324.424   11.194 5.372711 6.275116 
1 1 1   -6   18   31 o  174.827   3.3415  308.141   11.612 -1.187241 6.682908 
1 1 1   -6   18   32 o  124.470   4.4008  157.761   10.807 -5.441208 8.801591 
1 1 1   -6   18   33 f   47.589   9.8426   25.293   10.195 -9.873322 19.68521 
1 1 1   -6   18   34 o   34.562   9.7787   7.3659   10.235 -1.100731 19.55730 
1 1 1   -6   18   35 o   54.597   9.2328   32.310   9.8460 0.5166206 18.46566 
1 1 1   -6   19    1 o  242.254   3.2907  587.392   15.911 0.6416931 6.581330 
1 1 1   -6   19    2 o  217.853   3.3208  475.304   14.458 8.664780 6.641604 
1 1 1   -6   19    3 o  375.674   3.9973  1412.82   30.033 3.111053 7.994698 
1 1 1   -6   19    4 o  534.985   5.3370  2862.47   57.020 -16.76031 10.67407 
1 1 1   -6   19    5 o  143.764   5.7501  206.901   16.533      ?      ? 
1 1 1   -6   19    6 o  459.965   6.6195  2118.59   60.894      ?      ? 
1 1 1   -6   19    7 o  359.434   5.5455  1293.24   39.865      ?      ? 
1 1 1   -6   19    8 o  262.086   2.9785  690.617   14.487 -3.446472 5.957073 
1 1 1   -6   19    9 o  287.795   3.0755  827.327   16.432 1.374268 6.151095 
1 1 1   -6   19   10 o  272.164   3.0638  742.907   15.525 -1.673981 6.127575 
1 1 1   -6   19   11 o  341.940   3.3469  1151.63   21.054 13.67242 6.693819 
1 1 1   -6   19   12 o  272.315   3.1403  747.793   15.895 -5.625854 6.280577 
1 1 1   -6   19   13 o  357.634   3.4694  1280.67   23.195 -0.1099243 6.938766 
1 1 1   -6   19   14 o  312.624   3.2502  983.686   19.116 -4.986572 6.500486 
1 1 1   -6   19   15 f   28.461   8.3147 -11.9897   10.633 -17.68533 16.62933 
1 1 1   -6   19   16 o  288.392   3.2764  827.897   17.527 4.471558 6.552814 
1 1 1   -6   19   17 o  151.335   4.1873  223.636   11.660 9.942413 8.374514 
1 1 1   -6   19   18 o  212.841   3.4535  450.787   13.458 3.589432 6.907012 
1 1 1   -6   19   19 o   82.055   7.2122   71.006   10.571 -8.741730 14.42433 
1 1 1   -6   19   20 o  126.643   4.8256  160.173   10.980 1.760468 9.651229 
1 1 1   -6   19   21 o  321.496   3.3724  1028.60   20.100 6.544373 6.744841 
1 1 1   -6   19   22 o  130.099   3.7749  170.115   9.8209 -2.864761 7.549759 
1 1 1   -6   19   23 f  203.866   4.3664  416.167   17.803      ?      ? 
1 1 1   -6   19   24 o  193.782   4.3160  377.204   16.727      ?      ? 
1 1 1   -6   19   25 o  110.380   4.5355  124.724   9.8558 -14.14262 9.071052 
1 1 1   -6   19   26 o  170.983   4.1311  294.250   14.127      ?      ? 
1 1 1   -6   19   27 o  143.792   4.9389  207.235   14.203      ?      ? 
1 1 1   -6   19   28 o   55.407   8.4460   33.895   9.2237 -17.16818 16.89207 
1 1 1   -6   19   29 o   23.859   7.7418 -12.8535   9.1758 -7.676014 15.48369 
1 1 1   -6   19   30 o   23.738   7.8682 -13.8218   9.6498 -3.724718 15.73648 
1 1 1   -6   19   31 o   39.878   9.6087   12.097   9.9846 20.68138 19.21741 
1 1 1   -6   19   32 o   34.586   9.7637   7.4664   10.060 2.846531 19.52738 
1 1 1   -6   19   33 o   46.809   10.005   23.312   10.017 3.608932 20.00954 
1 1 1   -6   19   34 o   95.135   5.5168   92.335   10.309 -2.778793 11.03361 
1 1 1   -6   19   35 o   32.016   8.5719   38.098   10.006 -20.52421 17.14388 
1 1 1   -6   20    1 o  374.719   4.0008  1399.54   29.911 23.38489 8.001642 
1 1 1   -6   20    2 o  390.168   4.0987  1520.47   31.915 -13.02078 8.197363 
1 1 1   -6   20    3 o  437.345   4.4919  1915.38   39.290 2.471252 8.983787 
1 1 1   -6   20    4 o  277.462   3.4026  770.944   18.849 2.901001 6.805180 
1 1 1   -6   20    5 o  227.463   4.5671  517.806   20.777      ?      ? 
1 1 1   -6   20    6 o  276.839   2.9168  765.082   15.064 1.769012 5.833510 
1 1 1   -6   20    7 o  370.735   3.4286  1367.73   23.692 5.835907 6.857138 
1 1 1   -6   20    8 o  319.844   3.1778  1032.21   19.021 -7.552399 6.355658 
1 1 1   -6   20    9 o  437.198   3.9188  1895.01   31.736 11.26898 7.837669 
1 1 1   -6   20   10 o  245.983   3.0231  614.495   13.746 -9.714905 6.046184 
1 1 1   -6   20   11 o  127.937   4.4401  171.388   9.8432 -12.02415 8.880115 
1 1 1   -6   20   12 f  561.368   4.8864  3128.25   50.874 14.50800 9.772856 
1 1 1   -6   20   13 o  268.422   3.2027  721.181   15.874 0.9487915E-01 6.405304 
1 1 1   -6   20   14 o  205.756   3.3918  417.211   12.696 7.676971 6.783592 
1 1 1   -6   20   15 o   99.205   6.2804  109.949   10.569 -23.31712 12.56079 
1 1 1   -6   20   16 o   38.664   9.3635   13.136   10.138 -16.33608 18.72702 
1 1 1   -6   20   17 o  177.972   3.5737  310.663   11.631 9.166031 7.147405 
1 1 1   -6   20   18 o  135.811   4.7257  195.542   11.105 -15.92220 9.451354 
1 1 1   -6   20   19 o  233.493   3.2708  547.417   13.913 -0.9676666 6.541693 
1 1 1   -6   20   20 o  191.747   3.5371  363.513   12.133 6.045471 7.074218 
1 1 1   -6   20   21 o   62.999   9.5900   45.468   10.861 -14.88201 19.17997 
1 1 1   -6   20   22 o  250.299   3.4435  589.644   15.780 36.23671 6.886918 
1 1 1   -6   20   23 f   33.221   9.4786   4.4740   9.9397 8.366724 18.95715 
1 1 1   -6   20   24 o  184.382   2.8416  339.526   10.438 8.979309 5.683197 
1 1 1   -6   20   25 o   99.841   4.6365  103.046   9.0644 -18.47569 9.273077 
1 1 1   -6   20   26 o   58.406   11.605   35.702   13.075      ?      ? 
1 1 1   -6   20   27 o   47.602   9.2436   24.652   9.1206 -5.377594 18.48724 
1 1 1   -6   20   28 o   67.361   7.3518   50.195   9.0688 -19.73852 14.70356 
1 1 1   -6   20   29 o   97.375   4.9027   95.188   9.4737 6.200676 9.805344 
1 1 1   -6   20   30 o   55.748   8.6404   34.247   9.4799 -14.20596 17.28084 
1 1 1   -6   20   31 o   45.597   9.8148   21.569   9.6953 9.020008 19.62958 
1 1 1   -6   20   32 o   38.423   9.7802   13.520   9.9058 -7.515491 19.56039 
1 1 1   -6   20   33 o   52.006   9.3347   30.325   9.8552 -12.55154 18.66950 
1 1 1   -6   20   34 o   85.135   6.2680   75.976   10.170 -6.004776 12.53598 
1 1 1   -6   21    1 o  556.371   5.5497  3097.12   61.656 -19.29486 11.09944 
1 1 1   -6   21    2 o  385.572   4.0517  1488.54   31.231 -1.633972 8.103455 
1 1 1   -6   21    3 o  479.342   4.8451  2299.15   46.395 -13.07117 9.690149 
1 1 1   -6   21    4 o  294.498   3.4849  864.529   20.464 -15.45145 6.969755 
1 1 1   -6   21    5 o  162.470   3.2250  263.279   10.014 1.896652 6.450083 
1 1 1   -6   21    6 o  480.856   4.1884  2321.01   37.999 -3.359253 8.376741 
1 1 1   -6   21    7 o  192.841   2.9676  378.412   10.394 -7.897354 5.935273 
1 1 1   -6   21    8 o  254.078   2.9290  644.324   13.584 1.662735 5.858058 
1 1 1   -6   21    9 o  380.868   3.5288  1440.25   24.834 8.241455 7.057678 
1 1 1   -6   21   10 o  474.494   4.1937  2246.89   37.114 5.063965 8.387450 
1 1 1   -6   21   11 o  139.829   4.1709  210.907   9.9845 -22.11491 8.341868 
1 1 1   -6   21   12 o  181.525   5.9483  330.236   21.595      ?      ? 
1 1 1   -6   21   13 o  405.364   3.7592  1630.30   28.218 10.21799 7.518311 
1 1 1   -6   21   14 o  357.902   3.4832  1270.27   22.946 9.328522 6.966374 
1 1 1   -6   21   15 o  161.307   3.8444  269.894   10.823 -11.87762 7.688718 
1 1 1   -6   21   16 o  261.401   5.3080  685.271   27.750      ?      ? 
1 1 1   -6   21   17 o   72.890   8.7596   67.843   9.9665 -32.80171 17.51929 
1 1 1   -6   21   18 o  112.821   5.3049  132.894   10.329 -8.704224 10.60988 
1 1 1   -6   21   19 o  201.365   3.3864  404.681   12.299 2.186584 6.772748 
1 1 1   -6   21   20 o   83.837   12.546   72.621   21.036      ?      ? 
1 1 1   -6   21   21 o  222.745   6.1594  497.289   27.440      ?      ? 
1 1 1   -6   21   22 o  144.599   4.6525  220.725   11.976 -15.48784 9.304970 
1 1 1   -6   21   23 o   86.192   6.8192   81.157   10.253 -14.85771 13.63838 
1 1 1   -6   21   24 o   57.480   9.3488   40.101   9.9627 -19.34916 18.69767 
1 1 1   -6   21   25 o  159.986   3.1418  256.158   10.040 3.044357 6.283554 
1 1 1   -6   21   26 o  105.466   4.4709  114.122   9.2878 -12.63222 8.941807 
1 1 1   -6   21   27 o   26.492   8.2245  -3.3361   8.6710 -4.784136 16.44898 
1 1 1   -6   21   28 o   54.028   8.7184   31.311   9.0969 -0.9164696 17.43676 
1 1 1   -6   21   29 o   45.295   9.5459   21.660   9.1779 3.121937 19.09180 
1 1 1   -6   21   30 o   24.944   8.1084  -8.6708   9.2532 -0.2520638 16.21678 
1 1 1   -6   21   31 o   95.997   5.2186   95.487   9.7562 -8.771461 10.43720 
1 1 1   -6   21   32 o   40.585   9.9098   16.319   9.7190 -0.4441833E-01 19.81956 
1 1 1   -6   21   33 o  127.105   4.0923  165.786   10.225 -16.64876 8.184551 
1 1 1   -6   22    1 o  271.505   3.2969  735.995   17.809 -6.790924 6.593784 
1 1 1   -6   22    2 o  289.105   3.3855  836.296   19.541 -2.883301 6.770912 
1 1 1   -6   22    3 o  405.624   4.2039  1648.38   34.102 -0.2907410 8.407844 
1 1 1   -6   22    4 o  242.689   3.3132  589.306   16.071 -4.048920 6.626481 
1 1 1   -6   22    5 o  412.144   3.7064  1699.39   28.711 1.109650 7.412878 
1 1 1   -6   22    6 o  225.758   2.7924  523.861   11.607 -16.31432 5.584756 
1 1 1   -6   22    7 o  174.234   3.1162  312.211   9.5272 -10.20403 6.232481 
1 1 1   -6   22    8 o  365.419   3.3998  1328.85   23.008 5.816132 6.799603 
1 1 1   -6   22    9 f  373.438   3.4898  1382.81   24.020 9.228088 6.979688 
1 1 1   -6   22   10 o  403.863   3.7237  1600.67   27.422 19.43991 7.447344 
1 1 1   -6   22   11 o  465.718   4.1510  2173.85   36.173 0.1138306E-01 8.301996 
1 1 1   -6   22   12 o  129.189   4.6205  189.588   9.8824 -33.83958 9.240903 
1 1 1   -6   22   13 o  294.083   3.1572  870.104   17.141 -3.377228 6.314448 
1 1 1   -6   22   14 o  235.431   3.1355  554.096   13.225 0.9855042 6.270925 
1 1 1   -6   22   15 o   64.944   9.0097   54.680   9.3966 -28.97694 18.01949 
1 1 1   -6   22   16 o   73.741   8.4631   64.487   9.5518 -20.62247 16.92615 
1 1 1   -6   22   17 o  179.333   3.5838  323.865   11.292 -1.547852 7.167585 
1 1 1   -6   22   18 o   28.707   9.1341  -4.9819   9.8197 6.799034 18.26821 
1 1 1   -6   22   20 o  387.248   6.1437  1503.04   47.583      ?      ? 
1 1 1   -6   22   21 o  199.525   3.5501  410.435   12.806 -12.16026 7.100175 
1 1 1   -6   22   22 o   48.278   9.4092   27.710   9.8691 -18.98285 18.81838 
1 1 1   -6   22   23 o   46.861   8.7229   26.756   9.6799 -26.31475 17.44586 
1 1 1   -6   22   24 f  170.914   3.6629  265.567   11.209 34.73369 7.325731 
1 1 1   -6   22   25 o   26.240   8.4113  -8.8070   10.044 -4.725288 16.82263 
1 1 1   -6   22   26 o   46.724   8.4093   27.035   9.5781 -30.12803 16.81870 
1 1 1   -6   22   27 o  130.489   3.6138  170.640   9.2988 2.361893 7.227645 
1 1 1   -6   22   28 o   87.207   5.2824   75.241   9.0777 13.30627 10.56484 
1 1 1   -6   22   29 o  106.601   4.4748  112.778   9.3691 10.39610 8.949623 
1 1 1   -6   22   30 o  160.482   3.2850  259.289   10.383 0.6323242 6.569939 
1 1 1   -6   22   31 o   30.496   8.8252   1.8376   9.3888 -9.630077 17.65047 
1 1 1   -6   22   32 o  119.059   4.2418  140.949   10.015 13.80903 8.483611 
1 1 1   -6   23    1 o  545.389   5.4691  2983.57   59.623 9.013428 10.93826 
1 1 1   -6   23    2 o  468.379   4.7605  2199.51   44.590 5.327911 9.521070 
1 1 1   -6   23    3 o  315.070   3.5776  985.444   22.435 29.08743 7.155166 
1 1 1   -6   23    4 o  543.574   5.4306  2956.31   58.899 23.11523 10.86117 
1 1 1   -6   23    5 o  426.863   6.2205  1826.44   53.106      ?      ? 
1 1 1   -6   23    6 o  308.763   2.8803  947.958   15.168 3.768280 5.760648 
1 1 1   -6   23    7 o  145.856   3.5970  228.045   8.8853 -20.27966 7.193925 
1 1 1   -6   23    8 o  136.956   3.6559  167.003   8.7290 30.50564 7.311875 
1 1 1   -6   23    9 o  195.998   3.1393  397.445   10.878 -14.34074 6.278597 
1 1 1   -6   23   10 o  294.766   3.0729  881.715   16.844 -10.74634 6.145778 
1 1 1   -6   23   11 o  197.502   3.1421  389.779   10.839 0.8978729 6.284112 
1 1 1   -6   23   12 o  177.855   3.4205  330.741   10.410 -15.47818 6.841051 
1 1 1   -6   23   13 o   58.400   8.9670   38.978   8.7391 -12.46447 17.93407 
1 1 1   -6   23   14 o  141.070   3.9585  200.585   9.5315 -1.382507 7.916934 
1 1 1   -6   23   15 o  225.499   3.1470  505.587   12.458 3.723557 6.293996 
1 1 1   -6   23   16 o  101.100   5.7066  110.635   9.4417 -13.80645 11.41324 
1 1 1   -6   23   17 o  163.904   3.7513  276.272   10.886 -8.655579 7.502609 
1 1 1   -6   23   18 o  231.360   3.3959  553.354   14.277 -18.54362 6.791822 
1 1 1   -6   23   19 o  303.552   3.3748  879.641   18.258 30.83923 6.749675 
1 1 1   -6   23   20 o   68.534   8.8227   56.563   9.9854 -22.58638 17.64537 
1 1 1   -6   23   21 o   26.842   8.5785  -5.6834   9.4635 -0.2679825E-01 17.15701 
1 1 1   -6   23   22 o   87.076   6.7205   86.410   9.7762 -18.77513 13.44106 
1 1 1   -6   23   23 o  184.271   5.7387  340.602   21.150      ?      ? 
1 1 1   -6   23   24 o   54.978   8.4949   40.663   9.3926 -35.08439 16.98980 
1 1 1   -6   23   25 o   29.701   9.2208  -0.6454   9.5307 3.979628 18.44155 
1 1 1   -6   23   26 o  189.522   3.5091  357.224   11.737 3.780380 7.018141 
1 1 1   -6   23   27 o  119.131   5.0510  147.230   10.417 -6.391144 10.10203 
1 1 1   -6   23   28 o  115.740   5.1174  135.205   10.395 0.7521896 10.23473 
1 1 1   -6   23   29 o   25.569   8.0973 -16.1589   9.1576 17.40328 16.19457 
1 1 1   -6   23   30 o  124.047   4.0247  155.360   9.7534 0.1696930 8.049330 
1 1 1   -6   23   31 o  117.047   4.2450  140.422   9.6036 -8.069923 8.489988 
1 1 1   -6   23   32 o  117.723   6.3554  157.830   14.963      ?      ? 
1 1 1   -6   24    1 f  226.330   3.2005  516.311   14.387 17.24165 6.400993 
1 1 1   -6   24    2 o  187.726   3.3575  332.807   12.239 -50.38347 6.714956 
1 1 1   -6   24    3 f  314.108   3.5633  977.986   22.227 -27.01996 7.126651 
1 1 1   -6   24    4 o  186.893   3.4148  349.786   12.755 9.690613 6.829516 
1 1 1   -6   24    5 o   48.988   8.7968   26.217   8.2729 -6.925323 17.59368 
1 1 1   -6   24    6 o  278.942   4.8256  779.811   26.921      ?      ? 
1 1 1   -6   24    7 o  125.108   3.8367  156.452   8.7130 0.8623657 7.673378 
1 1 1   -6   24    8 o  103.944   4.7228  116.374   7.7719 -12.92375 9.445641 
1 1 1   -6   24    9 o   97.091   5.1407  103.049   7.8845 -14.65095 10.28131 
1 1 1   -6   24   10 o  382.819   3.5107  1469.78   25.043 -0.7212219 7.021451 
1 1 1   -6   24   11 o  171.879   3.2778  305.774   9.6416 -11.24088 6.555526 
1 1 1   -6   24   12 o  251.274   2.9568  632.487   13.363 0.2726746E-01 5.913542 
1 1 1   -6   24   13 o  182.620   3.1989  334.165   10.110 0.8686829E-01 6.397821 
1 1 1   -6   24   14 o   41.478   9.6764   10.437   8.2647 25.94517 19.35289 
1 1 1   -6   24   15 o   39.512   8.4305   17.728   8.4530 -19.87434 16.86106 
1 1 1   -6   24   16 o  261.933   3.1686  701.701   15.136 -13.19070 6.337284 
1 1 1   -6   24   17 o  217.309   3.2057  404.066   12.164 64.31247 6.411500 
1 1 1   -6   24   18 o  258.954   5.3581  675.706   27.750      ?      ? 
1 1 1   -6   24   19 o   59.584   9.2280   41.905   9.4176 -15.97166 18.45607 
1 1 1   -6   24   20 o  169.516   3.6818  290.939   10.825 -2.801559 7.363627 
1 1 1   -6   24   21 o  188.510   5.6784  358.487   21.409      ?      ? 
1 1 1   -6   24   22 o  198.820   3.2529  373.272   11.568 25.01761 6.505774 
1 1 1   -6   24   23 o  205.915   3.3184  427.689   12.210 -1.736313 6.636893 
1 1 1   -6   24   24 o   38.284   9.4716   14.349   9.4533 -10.63208 18.94320 
1 1 1   -6   24   25 o  167.875   6.3891  284.387   21.451      ?      ? 
1 1 1   -6   24   26 o   43.764   10.397   17.970   9.7389 8.675297 20.79432 
1 1 1   -6   24   27 o  142.795   4.1218  166.621   10.438 62.39883 8.243610 
1 1 1   -6   24   28 o  197.754   3.4824  401.004   12.320 -8.352936 6.964758 
1 1 1   -6   24   29 o  127.604   4.8045  173.124   10.453 -13.24672 9.608920 
1 1 1   -6   24   30 o  117.593   4.8557  133.436   10.375 12.30991 9.711437 
1 1 1   -6   24   31 o   65.592   6.5272   46.707   8.3024 -4.804970 13.05431 
1 1 1   -6   25    1 o  216.557   3.0445  468.914   12.882 -1.899765 6.088996 
1 1 1   -6   25    2 o  115.289   4.1895  132.402   9.4106 -3.568291 8.378934 
1 1 1   -6   25    3 o  143.526   3.6808  206.604   10.537 0.6405182 7.361601 
1 1 1   -6   25    4 o  173.818   3.3948  302.742   11.799 1.247131 6.789660 
1 1 1   -6   25    5 o  285.442   2.9149  810.760   15.422 4.769165 5.829726 
1 1 1   -6   25    6 o  278.556   2.8927  775.717   15.002 1.324554 5.785346 
1 1 1   -6   25    7 o  269.319   2.7149  716.505   12.045 6.273254 5.429711 
1 1 1   -6   25    8 o  434.233   3.6602  1858.26   26.672 13.23032 7.320431 
1 1 1   -6   25    9 o  108.379   4.3515  119.987   7.5859 -3.389183 8.703014 
1 1 1   -6   25   10 o  116.569   4.3682  151.686   7.9364 -21.77600 8.736371 
1 1 1   -6   25   11 o   49.020   8.7394   25.621   7.5439 -4.614220 17.47875 
1 1 1   -6   25   12 o  167.442   3.2568  280.451   9.1996 0.6013336 6.513541 
1 1 1   -6   25   13 o  210.923   3.0693  452.521   11.262 -6.324463 6.138656 
1 1 1   -6   25   14 o  136.575   7.4347  188.260   20.308      ?      ? 
1 1 1   -6   25   15 o  276.344   5.3939  764.968   29.811      ?      ? 
1 1 1   -6   25   16 o  151.701   3.9253  234.971   10.211 -5.147720 7.850699 
1 1 1   -6   25   17 f   44.402   8.8917   23.315   8.9012 -18.86909 17.78330 
1 1 1   -6   25   18 o   56.838   8.9870   36.145   8.8451 -9.285667 17.97404 
1 1 1   -6   25   19 o  106.545   5.2522  117.296   9.3898 -3.859421 10.50434 
1 1 1   -6   25   20 o  138.121   4.3556  195.886   10.129 -6.181015 8.711211 
1 1 1   -6   25   21 o   21.688   7.5226 -21.7376   9.2262 7.171148 15.04528 
1 1 1   -6   25   22 o   51.642   9.1204   31.308   9.1093 -14.86943 18.24076 
1 1 1   -6   25   23 o  144.118   4.2730  223.653   10.303 -19.27379 8.546038 
1 1 1   -6   25   24 o  111.247   9.1298  126.579   20.313      ?      ? 
1 1 1   -6   25   25 o  182.033   3.5192  335.892   11.356 -3.315262 7.038460 
1 1 1   -6   25   26 o   68.320   8.4871   49.518   9.6454 -2.755943 16.97417 
1 1 1   -6   25   27 o  116.494   5.2102  147.019   10.029 -14.99038 10.42046 
1 1 1   -6   25   28 o   91.246   6.4598   92.515   9.6460 -15.49484 12.91954 
1 1 1   -6   25   29 o  125.239   4.7624  164.376   10.233 -9.853569 9.524788 
1 1 1   -6   25   30 o  106.033   5.5072  113.997   10.269 3.972328 11.01442 
1 1 1   -6   26    1 o  108.208   6.9680  117.736   15.080      ?      ? 
1 1 1   -6   26    2 o   95.342   4.6117   88.346   8.2218 -8.428749 9.223371 
1 1 1   -6   26    3 o  132.260   3.6289  174.445   9.4332 -3.963486 7.257856 
1 1 1   -6   26    4 o  125.210   3.3212  159.714   7.7346 -5.760895 6.642330 
1 1 1   -6   26    5 o  132.859   3.2905  174.517   7.9392 4.254562 6.580956 
1 1 1   -6   26    6 o  124.074   3.6032  152.587   7.9174 3.063950 7.206363 
1 1 1   -6   26    7 o  192.025   2.7064  369.294   8.1374 -0.6486511E-01 5.412884 
1 1 1   -6   26    8 o  154.794   2.9804  230.658   7.6995 10.90593 5.960721 
1 1 1   -6   26    9 o   68.425   5.8489   43.898   5.9904 7.012856 11.69774 
1 1 1   -6   26   10 o  209.002   2.8460  441.493   10.429 -3.810928 5.691902 
1 1 1   -6   26   11 o   38.444   15.098   9.9157   16.934      ?      ? 
1 1 1   -6   26   12 o   92.706   10.142   86.939   18.804      ?      ? 
1 1 1   -6   26   13 o  324.930   5.5006  1057.66   35.746      ?      ? 
1 1 1   -6   26   14 o   51.299   7.7838   11.256   8.1966 55.45010 15.56763 
1 1 1   -6   26   15 o   36.586   8.5430   13.801   8.1173 -14.25626 17.08602 
1 1 1   -6   26   16 o  151.897   3.7673  237.757   9.6001 -7.411804 7.534537 
1 1 1   -6   26   17 o  110.076   5.2210  123.266   9.3332 -1.685432 10.44197 
1 1 1   -6   26   19 o  164.837   6.5800  272.948   21.693      ?      ? 
1 1 1   -6   26   20 o  192.402   3.3980  373.074   11.293 -1.079559 6.795937 
1 1 1   -6   26   21 o   41.525   10.128   16.695   9.1238 3.157528 20.25660 
1 1 1   -6   26   22 o  126.524   4.5655  150.447   9.8690 15.90039 9.130923 
1 1 1   -6   26   23 o  169.980   3.7472  294.602   10.970 -4.063370 7.494419 
1 1 1   -6   26   24 o   52.084   9.3863   33.327   9.8099 -20.41477 18.77251 
1 1 1   -6   26   25 o   33.335   9.9306   3.1840   9.7892 9.891825 19.86122 
1 1 1   -6   26   26 o   39.347   10.319   13.181   9.5224 7.134789 20.63762 
1 1 1   -6   26   27 o   87.904   6.3601   79.728   9.3558 -2.161819 12.72011 
1 1 1   -6   26   28 o   82.670   6.6824   66.150   9.5709 8.002792 13.36474 
1 1 1   -6   26   29 f  117.759   4.9234  139.074   10.044 5.897118 9.846764 
1 1 1   -6   27    1 o  149.921   5.2366  225.671   15.702      ?      ? 
1 1 1   -6   27    2 o  202.320   2.9050  410.637   11.510 0.8044128 5.809992 
1 1 1   -6   27    3 o  241.319   3.0198  583.862   14.507 -0.1132050 6.039572 
1 1 1   -6   27    4 o   90.826   4.1494   87.312   6.9001 -13.52804 8.298796 
1 1 1   -6   27    5 f  148.535   2.9593  221.936   8.0481 -1.394226 5.918558 
1 1 1   -6   27    6 o  224.195   4.5094  504.235   20.220      ?      ? 
1 1 1   -6   27    7 o  238.791   2.7780  557.208   11.941 13.52463 5.555965 
1 1 1   -6   27    8 o   60.595   6.4552   69.863   6.9653 -68.61886 12.91046 
1 1 1   -6   27    9 o  205.960   2.8735  471.463   9.6290 -41.22052 5.747056 
1 1 1   -6   27   10 o  265.522   5.0002  706.085   26.553      ?      ? 
1 1 1   -6   27   11 o  338.481   5.4842  1148.57   37.126      ?      ? 
1 1 1   -6   27   12 o  314.767   3.2243  1013.55   18.822 -15.65219 6.448672 
1 1 1   -6   27   13 o  131.822   4.2255  188.778   8.6981 -17.69335 8.451020 
1 1 1   -6   27   14 o   95.811   5.1220   87.171   8.0496 9.600075 10.24399 
1 1 1   -6   27   15 o  168.460   3.4246  286.797   9.8235 -2.170486 6.849175 
1 1 1   -6   27   16 o  191.158   3.4440  373.087   11.468 -5.724487 6.888056 
1 1 1   -6   27   17 o  342.586   5.8558  1177.32   40.122      ?      ? 
1 1 1   -6   27   18 o  224.684   3.3880  499.405   13.122 6.717255 6.775955 
1 1 1   -6   27   19 o   93.080   6.1455   89.333   9.1526 -2.651131 12.29100 
1 1 1   -6   27   20 o   65.792   8.9928   55.071   9.2012 -24.63054 17.98565 
1 1 1   -6   27   21 f  176.074   6.4171  312.755   22.598      ?      ? 
1 1 1   -6   27   22 o  100.653   5.6259   97.842   9.6050 9.131760 11.25175 
1 1 1   -6   27   23 o   48.245   10.332   23.445   9.5453 6.145168 20.66356 
1 1 1   -6   27   24 o   91.296   6.5884   83.578   10.093 2.751091 13.17690 
1 1 1   -6   27   25 o   79.674   8.5868   77.319   10.088 -23.33754 17.17365 
1 1 1   -6   27   26 o   93.095   6.2938   91.207   9.7372 -5.865387 12.58753 
1 1 1   -6   27   27 o   94.266   6.0788   82.569   9.5681 14.23526 12.15767 
1 1 1   -6   27   28 f   66.875   8.8910   44.710   9.3790 20.14826 17.78201 
1 1 1   -6   28    1 o   37.967   14.106   12.002   14.277      ?      ? 
1 1 1   -6   28    3 f   63.195   5.2707   52.403   8.9129 90.19314 10.54145 
1 1 1   -6   28    4 o  112.256   3.8190  138.870   7.6360 -29.51614 7.638093 
1 1 1   -6   28    5 o  166.738   4.8107  278.524   16.043      ?      ? 
1 1 1   -6   28    6 o  252.165   4.5904  636.675   23.151      ?      ? 
1 1 1   -6   28    7 o  217.970   2.8035  441.426   10.758 32.19211 5.606972 
1 1 1   -6   28    8 o  115.247   3.8745  108.365   7.4510 39.37842 7.749071 
1 1 1   -6   28    9 o   58.266   6.5731   61.962   7.1289 -63.12482 13.14615 
1 1 1   -6   28   10 o   68.063   7.5669   78.895   7.1398 -60.50347 15.13371 
1 1 1   -6   28   11 o  157.128   3.0495  245.412   7.3332 1.997192 6.099087 
1 1 1   -6   28   12 o   88.554   5.9217   90.321   7.8763 -19.93587 11.84339 
1 1 1   -6   28   13 o  212.639   3.0968  457.187   11.343 -2.873276 6.193540 
1 1 1   -6   28   14 o  165.791   3.6157  288.763   10.103 -14.49370 7.231343 
1 1 1   -6   28   15 o  110.878   8.5782  123.769   19.023      ?      ? 
1 1 1   -6   28   16 o  220.081   3.6491  485.032   15.836 6.357803 7.298134 
1 1 1   -6   28   17 o   94.854   6.0745   91.528   9.3851 -0.5709839 12.14898 
1 1 1   -6   28   18 o   72.615   8.4473   59.127   9.1285 -10.31387 16.89461 
1 1 1   -6   28   19 o  122.922   4.7000  134.105   9.4112 24.88849 9.399942 
1 1 1   -6   28   20 o  109.137   5.2362  117.563   9.4508 5.100143 10.47238 
1 1 1   -6   28   21 o   71.192   8.1500   52.610   9.1983 -0.8931274 16.29992 
1 1 1   -6   28   22 o   59.110   9.3269   42.560   9.3226 -17.34416 18.65377 
1 1 1   -6   28   23 o   42.271   10.575   14.194   9.5399 15.80176 21.15071 
1 1 1   -6   28   24 o   72.571   8.4099   53.656   9.8117 2.263924 16.81980 
1 1 1   -6   28   25 o   90.748   6.5464   85.463   9.8479 -3.338394 13.09282 
1 1 1   -6   28   26 o  105.738   5.0192  105.080   9.1669 14.52614 10.03850 
1 1 1   -6   29    1 o   45.404   14.515   20.974   14.865      ?      ? 
1 1 1   -6   29    2 o   37.441   13.772   11.858   13.552      ?      ? 
1 1 1   -6   29    3 o  127.209   3.4592  162.297   8.8008      ?      ? 
1 1 1   -6   29    4 f  174.588   4.3982  306.466   15.357      ?      ? 
1 1 1   -6   29    5 o  398.016   5.9229  1597.62   47.148      ?      ? 
1 1 1   -6   29    6 o  289.047   2.9190  812.995   15.215 19.44247 5.838019 
1 1 1   -6   29    7 f  109.221   3.8553  113.745   7.4490 11.70367 7.710614 
1 1 1   -6   29    8 o  210.145   2.7692  437.872   10.411 5.157150 5.538335 
1 1 1   -6   29    9 o   73.765   5.7715   53.348   5.7816 2.604301 11.54302 
1 1 1   -6   29   10 o  162.947   3.0277  270.183   7.4459 -3.637665 6.055445 
1 1 1   -6   29   12 o  229.278   3.0907  530.950   12.615 -4.241776 6.181415 
1 1 1   -6   29   13 o  213.645   5.5331  458.058   23.642      ?      ? 
1 1 1   -6   29   14 o  106.134   5.8684  137.660   9.1906 -35.44160 11.73677 
1 1 1   -6   29   15 o  132.803   4.2537  184.123   9.2747 -8.713684 8.507362 
1 1 1   -6   29   16 o  168.049   3.6986  287.865   10.292 -4.153656 7.397152 
1 1 1   -6   29   17 o  113.034   4.9799  116.455   9.3305 19.06672 9.959760 
1 1 1   -6   29   18 o   28.716   9.1371 -20.4907   8.9315 27.23259 18.27426 
1 1 1   -6   29   19 o  143.043   4.2281  208.948   9.7552 -3.560623 8.456115 
1 1 1   -6   29   20 o  152.444   4.0319  238.856   10.031 -5.576981 8.063793 
1 1 1   -6   29   21 o   77.950   7.0614   53.687   9.2120 19.54141 14.12271 
1 1 1   -6   29   22 o  100.757   5.9672   93.156   9.6006 16.36913 11.93444 
1 1 1   -6   29   23 o   83.829   7.4010   74.326   9.4583 -4.852287 14.80207 
1 1 1   -6   29   24 o  126.401   4.7820  162.586   9.8458 -2.139778 9.563943 
1 1 1   -6   29   25 o  213.258   3.1594  441.667   11.653 14.18781 6.318705 
1 1 1   -6   30    1 o  195.834   4.5529  385.182   17.832      ?      ? 
1 1 1   -6   30    2 o  296.834   4.8458  885.420   28.768      ?      ? 
1 1 1   -6   30    3 o  144.826   3.2586  210.204   9.4387      ?      ? 
1 1 1   -6   30    4 o  135.671   2.5145  183.757   6.7997 6.708221 5.029022 
1 1 1   -6   30    5 o  171.798   2.4922  294.969   8.2434 2.081635 4.984411 
1 1 1   -6   30    6 o   58.105   7.3264   42.054   7.2338 -26.56534 14.65271 
1 1 1   -6   30    9 o  183.468   2.9647  336.880   10.879      ?      ? 
1 1 1   -6   30   10 o  305.022   5.0300  933.163   30.685      ?      ? 
1 1 1   -6   30   11 o   19.484   6.7895 -16.3451   7.3450 5.142050 13.57907 
1 1 1   -6   30   12 o  188.779   3.1341  383.222   10.614 -33.67821 6.268280 
1 1 1   -6   30   13 o   99.678   5.0572  102.882   8.2831 -4.386604 10.11434 
1 1 1   -6   30   14 o   36.260   7.8443   13.643   8.1448 -22.20092 15.68858 
1 1 1   -6   30   15 o  132.957   4.3553  164.049   11.087 38.26917 8.710532 
1 1 1   -6   30   16 o  170.601   3.5564  299.409   10.188 -7.311005 7.112822 
1 1 1   -6   30   17 o  200.421   3.2834  396.783   11.104 6.161163 6.566749 
1 1 1   -6   30   18 o   78.933   7.0145   60.264   8.7756 6.680695 14.02906 
1 1 1   -6   30   19 o   73.787   8.3724   64.147   8.8858 -16.52565 16.74489 
1 1 1   -6   30   20 o   66.174   8.8998   46.779   9.0780 -2.916588 17.79967 
1 1 1   -6   30   21 o  188.330   3.4989  340.516   11.028 15.39832 6.997771 
1 1 1   -6   30   22 o  121.040   4.9868  153.185   9.6638 -7.319992 9.973643 
1 1 1   -6   30   23 o  114.639   4.6984  123.606   9.1721 14.61124 9.396716 
1 1 1   -6   30   24 o  108.207   4.5484  118.410   8.2654 2.676109 9.096749 
1 1 1   -6   31    1 o  338.421   5.2749  1149.05   35.703      ?      ? 
1 1 1   -6   31    2 o  236.293   4.6619  559.630   22.031      ?      ? 
1 1 1   -6   31    3 o  321.901   3.5577  1037.43   22.905      ?      ? 
1 1 1   -6   31    4 o  261.677   2.7358  678.869   13.533 7.738525 5.471535 
1 1 1   -6   31    5 o  157.088   3.5168  247.091   11.049      ?      ? 
1 1 1   -6   31    6 o  312.032   4.8889  977.344   30.510      ?      ? 
1 1 1   -6   31    7 o   54.087   7.2967   26.689   7.9700 45.45464 14.59344 
1 1 1   -6   31    8 o   68.149   7.3519   66.024   8.1176 -59.08214 14.70374 
1 1 1   -6   31    9 o   44.231   7.7536   23.318   7.9342 -26.77221 15.50710 
1 1 1   -6   31   10 o   91.729   5.1993  101.679   6.4944 -25.61223 10.39854 
1 1 1   -6   31   11 o  103.379   4.7714  118.628   6.7764 -14.85425 9.542885 
1 1 1   -6   31   12 o  139.187   6.6705  195.528   18.569      ?      ? 
1 1 1   -6   31   13 o   52.976   8.4388   22.296   6.8716 22.77034 16.87760 
1 1 1   -6   31   14 f   77.701   7.5720   75.972   8.1158 -26.76378 15.14390 
1 1 1   -6   31   15 o   65.850   8.4333   54.862   8.2440 -23.55225 16.86664 
1 1 1   -6   31   16 o   41.773   8.8489   20.822   8.4528 -16.39087 17.69776 
1 1 1   -6   31   17 o   99.673   5.8306  104.871   8.8153 -6.719864 11.66126 
1 1 1   -6   31   18 f   88.982   6.7957   88.302   8.9100 -13.03825 13.59142 
1 1 1   -6   31   19 o  119.379   8.7891  146.008   20.985      ?      ? 
1 1 1   -6   31   20 o   78.294   7.6829   65.624   8.9403 -5.345238 15.36573 
1 1 1   -6   31   21 o  140.518   4.1237  188.619   9.5278 12.37442 8.247314 
1 1 1   -6   31   22 o   88.319   6.0304   79.043   8.6238 0.4550018 12.06084 
1 1 1   -6   32    1 o  225.477   4.5608  511.348   20.567      ?      ? 
1 1 1   -6   32    3 o   68.162   6.4901   47.019   8.8475      ?      ? 
1 1 1   -6   32    4 o  127.144   3.6889  162.308   9.3805      ?      ? 
1 1 1   -6   32    5 o  199.341   3.5047  398.875   13.973      ?      ? 
1 1 1   -6   32    6 f  228.104   3.9732  522.804   18.126      ?      ? 
1 1 1   -6   32    7 o   63.544   6.9475   49.746   7.2423 -29.72573 13.89502 
1 1 1   -6   32    8 o  143.240   3.2483  218.074   8.3709 -21.02293 6.496594 
1 1 1   -6   32    9 o  104.011   4.2801  115.351   7.6567 -12.96784 8.560130 
1 1 1   -6   32   10 o   60.708   6.5757   30.515   6.1140 17.66310 13.15139 
1 1 1   -6   32   11 o  153.902   3.1936  239.902   7.2309 -1.995865 6.387156 
1 1 1   -6   32   12 o   85.262   5.8471   82.966   6.6005 -15.13347 11.69428 
1 1 1   -6   32   13 o   67.620   8.0559   55.260   6.8064 -16.29084 16.11185 
1 1 1   -6   32   14 f   50.467   8.6993   32.646   7.0843 -17.69073 17.39854 
1 1 1   -6   32   15 o  104.438   5.5159  116.279   8.6259 -8.783386 11.03184 
1 1 1   -6   32   16 o   33.306   8.8424   9.1647   8.4633 -9.049105 17.68482 
1 1 1   -6   32   17 o  261.231   3.1888  682.571   14.555 2.485779 6.377610 
1 1 1   -6   32   18 o   64.030   8.6388   41.034   8.6765 3.910099 17.27766 
1 1 1   -6   32   19 o  116.363   4.7690  132.210   8.8648 5.971161 9.537981 
1 1 1   -6   32   20 o  114.988   4.6547  135.579   8.7171 -3.346657 9.309396 
1 1 1   -6   33    1 o  244.276   4.6481  599.264   22.709      ?      ? 
1 1 1   -6   33    3 o  121.526   3.5615  148.059   8.6563      ?      ? 
1 1 1   -6   33    4 o  137.126   3.3963  188.501   9.3145      ?      ? 
1 1 1   -6   33    6 o  122.421   2.9309  152.473   7.0831 -11.61386 5.861828 
1 1 1   -6   33    7 o  137.724   3.1082  190.850   8.1099 0.2359009E-01 6.216481 
1 1 1   -6   33    8 o   87.608   4.7733   75.609   7.7088 5.778511 9.546638 
1 1 1   -6   33    9 o   44.098   8.9794   20.495   7.6468 0.1800194 17.95875 
1 1 1   -6   33   10 f  110.361   4.1387  117.869   7.9612 8.924782 8.277389 
1 1 1   -6   33   11 o  103.074   4.6853  112.534   6.5248 -7.411880 9.370699 
1 1 1   -6   33   12 o  206.784   2.9759  417.302   9.1188 8.330582 5.951831 
1 1 1   -6   33   13 o   38.759   8.5724   17.520   8.0992 -16.07723 17.14483 
1 1 1   -6   33   14 o  146.081   3.7988  207.374   7.8691 6.882767 7.597502 
1 1 1   -6   33   15 o   41.685   10.071   12.803   8.2600 19.47802 20.14295 
1 1 1   -6   33   16 o   67.948   7.7003   43.328   8.4685 11.30391 15.40054 
1 1 1   -6   33   17 o  146.839   3.9505  221.586   9.4890 -5.748901 7.901013 
1 1 1   -6   33   18 o   69.673   8.5400   68.589   8.4405 -37.92990 17.08004 
1 1 1   -6   33   19 f  110.923   10.119  364.033   22.449      ?      ? 
1 1 1   -6   34    1 o  203.767   2.9458  416.195   12.005      ?      ? 
1 1 1   -6   34    2 o  242.525   3.0395  589.688   14.743      ?      ? 
1 1 1   -6   34    3 o  157.435   3.1388  248.555   9.8831      ?      ? 
1 1 1   -6   34    4 o  102.127   4.3039  104.878   8.7909      ?      ? 
1 1 1   -6   34    5 o  123.822   3.6841  153.968   9.1234      ?      ? 
1 1 1   -6   34    6 o   63.908   6.7999   41.431   8.6914      ?      ? 
1 1 1   -6   34    7 o  126.425   2.8979  162.270   7.2059 -8.113609 5.795894 
1 1 1   -6   34    8 o   99.059   4.1159  103.848   7.4872 -13.57566 8.231742 
1 1 1   -6   34    9 o  102.887   4.1715  105.693   7.7621 2.610313 8.343040 
1 1 1   -6   34   10 o  189.861   2.9205  362.222   10.023 0.4083252E-01 5.841014 
1 1 1   -6   34   11 o   54.021   8.4370   35.863   7.9923 -18.32158 16.87397 
1 1 1   -6   34   12 o  116.278   4.4047  141.778   7.1036 -6.916870 8.809372 
1 1 1   -6   34   13 o  132.647   4.0032  191.466   7.5508 -15.71613 8.006454 
1 1 1   -6   34   14 o  190.768   3.0850  369.038   9.0003 -3.286667 6.170084 
1 1 1   -6   34   15 o   85.697   5.4054   64.032   7.1058 18.37315 10.81080 
1 1 1   -6   34   16 o   74.096   7.4904   68.322   7.9832 -25.16017 14.98072 
1 1 1   -6   35    1 o  158.148   3.1672  250.936   10.018      ?      ? 
1 1 1   -6   35    2 o   63.685   6.3615   41.107   8.1025      ?      ? 
1 1 1   -6   35    3 o   51.158   8.2247   26.779   8.4152      ?      ? 
1 1 1   -6   35    4 o   91.152   4.8610   83.779   8.8618      ?      ? 
1 1 1   -6   35    5 f  190.844   3.0570  365.428   11.668      ?      ? 
1 1 1   -6   35    6 o   76.795   5.8131   59.658   8.9283      ?      ? 
1 1 1   -6   35    7 o  181.724   3.0828  331.231   11.205      ?      ? 
1 1 1   -6   35    8 o  135.012   2.9572  173.926   7.6439 22.80591 5.914355 
1 1 1   -6   35    9 o  189.621   2.7403  361.412   9.6450 -0.4717712 5.480554 
1 1 1   -6   35   10 o  141.779   3.2075  199.444   8.2771 4.380676 6.414915 
1 1 1   -6   35   11 o  130.157   3.6407  172.678   8.3475 -3.886795 7.281422 
1 1 1   -6   35   12 o  150.141   3.2199  213.692   7.3260 12.66946 6.439821 
1 1 1   -6   35   13 o   32.256   8.3471   9.5530   6.4897 -2.050596 16.69424 
1 1 1   -6   35   14 o  112.680   3.9455  137.625   7.0501 -9.061172 7.891090 
1 1 1   -6   36    1 o  123.246   3.8091  152.619   9.3891      ?      ? 
1 1 1   -6   36    2 f  116.426   3.9026  136.224   9.0873      ?      ? 
1 1 1   -6   36    3 o  136.986   3.5629  188.413   9.7614      ?      ? 
1 1 1   -6   36    4 o  100.606   4.4302  101.818   8.9141      ?      ? 
1 1 1   -6   36    5 o  197.499   3.0298  391.060   11.968      ?      ? 
1 1 1   -6   36    6 o  191.183   3.0506  366.391   11.664      ?      ? 
1 1 1   -6   36    7 o  160.122   3.1435  257.036   10.067      ?      ? 
1 1 1   -6   36    9 o  104.992   3.6198  109.072   7.1824 5.551933 7.239594 
1 1 1   -6   36   10 o   78.256   5.1265   57.353   7.3552 16.45132 10.25309 
1 1 1   -6   37    1 o   86.876   4.9917   76.103   8.6732      ?      ? 
1 1 1   -6   37    4 o   93.807   4.5194   89.019   8.4790      ?      ? 
1 1 1   -6   37    5 o  101.810   4.1307  106.099   8.4110      ?      ? 
1 1 1   -5    0    4 o  258.700   3.9999  669.857   20.685 -0.000000 0.000000 
1 1 1   -5    0    5 o  463.077   6.4593  2146.84   59.797 -0.000000 0.000000 
1 1 1   -5    0    6 o  390.375   3.9177  1525.59   30.573 -0.000000 0.000000 
1 1 1   -5    0    7 o  132.159   2.8816  175.180   7.5772 -0.000000 0.000000 
1 1 1   -5    0    8 o  134.177   2.9862  180.862   7.9778 -0.000000 0.000000 
1 1 1   -5    0    9 o  312.162   3.3125  975.524   20.670 -0.000000 0.000000 
1 1 1   -5    0   10 o  460.000   4.5921  2119.34   42.228 -0.000000 0.000000 
1 1 1   -5    0   11 o  387.165   3.9799  1501.03   30.803 -0.000000 0.000000 
1 1 1   -5    0   12 o  353.432   3.7303  1250.74   26.354 -0.000000 0.000000 
1 1 1   -5    0   13 f  143.846   3.7855  209.035   10.770 -0.000000 0.000000 
1 1 1   -5    0   14 o  119.612   4.7874  146.923   11.125 -0.000000 0.000000 
1 1 1   -5    0   16 o  804.669   7.8740  6488.57  126.662 -0.000000 0.000000 
1 1 1   -5    0   18 o  473.625   4.9298  2241.99   46.617 -0.000000 0.000000 
1 1 1   -5    0   19 o  260.515   4.0976  680.017   21.325 -0.000000 0.000000 
1 1 1   -5    0   20 o  276.047   4.2380  763.307   23.371 -0.000000 0.000000 
1 1 1   -5    0   22 o  372.927   4.4664  1389.71   33.253 -0.000000 0.000000 
1 1 1   -5    0   23 o  311.715   4.3933  972.721   27.353 -0.000000 0.000000 
1 1 1   -5    0   24 o  242.398   4.5547  589.512   22.037 -0.000000 0.000000 
1 1 1   -5    0   25 o  149.663   6.1608  226.568   18.301 -0.000000 0.000000 
1 1 1   -5    0   26 o  317.762   4.3413  1013.01   27.510 -0.000000 0.000000 
1 1 1   -5    0   27 f  162.464   5.8675  268.113   18.789 -0.000000 0.000000 
1 1 1   -5    0   28 o  237.835   4.3993  568.439   20.821 -0.000000 0.000000 
1 1 1   -5    0   29 o  113.456   7.8494  139.840   16.415 -0.000000 0.000000 
1 1 1   -5    0   30 o   76.071   11.749   69.697   15.037 -0.000000 0.000000 
1 1 1   -5    0   31 o   18.647   9.5199 -32.2940   15.538 -0.000000 0.000000 
1 1 1   -5    0   32 o  223.683   4.5994  504.136   20.439 -0.000000 0.000000 
1 1 1   -5    0   33 o   30.993   13.077   10.726   14.569 -0.000000 0.000000 
1 1 1   -5    0   34 o  161.153   4.9713  262.906   15.700 -0.000000 0.000000 
1 1 1   -5    0   35 o   20.917   10.402 -17.8907   14.909 -0.000000 0.000000 
1 1 1   -5    0   36 o   17.092   8.7950 -39.2527   15.288 -0.000000 0.000000 
1 1 1   -5    0   37 o   25.529   12.051  -3.4601   16.083 -0.000000 0.000000 
1 1 1   -5    0   38 o   37.652   13.725   8.5646   16.702 -0.000000 0.000000 
1 1 1   -5    0   39 o   42.229   15.387   27.442   16.666 -0.000000 0.000000 
1 1 1   -5    0   40 o   28.612   12.888   1.5049   16.285 -0.000000 0.000000 
1 1 1   -5    0   41 o   30.106   12.909   11.065   14.135 -0.000000 0.000000 
1 1 1   -5    1    3 o  578.855   7.9761  3355.15   92.340      ?      ? 
1 1 1   -5    1    4 o  225.518   2.6327  507.429   11.859 12.64740 5.265402 
1 1 1   -5    1    5 o  214.426   2.6258  459.941   11.259 5.481979 5.251573 
1 1 1   -5    1    6 o  228.445   1.9002  521.639   8.6763 -4.028320 3.800474 
1 1 1   -5    1    7 o  315.125   2.3247  993.411   14.651 -1.129578 4.649418 
1 1 1   -5    1    8 o  251.111   2.0432  629.981   10.253 7.529510 4.086483 
1 1 1   -5    1    9 o  250.720   2.0782  628.383   10.416 5.533890 4.156408 
1 1 1   -5    1   10 o  139.372   2.2748  194.180   6.3365 -7.170609 4.549514 
1 1 1   -5    1   11 o  171.688   2.1619  294.847   7.4162 0.6045532 4.323844 
1 1 1   -5    1   12 o  406.333   2.9387  1652.13   23.881 -2.939178 5.877370 
1 1 1   -5    1   13 o  199.083   2.2954  396.777   9.1315 -9.124573 4.590874 
1 1 1   -5    1   14 o  489.188   3.4849  2394.73   34.093 2.190674 6.969730 
1 1 1   -5    1   15 o  453.279   3.2874  2054.86   29.791 7.277496 6.574861 
1 1 1   -5    1   16 o  344.980   2.8093  1190.58   19.383 -2.183899 5.618640 
1 1 1   -5    1   17 o  585.438   4.1491  3427.01   48.550 -13.61823 8.298176 
1 1 1   -5    1   18 o   57.049   8.7614   33.392   10.125 26.85474 17.52271 
1 1 1   -5    1   19 o  266.760   2.8658  711.302   15.282 6.943390 5.731697 
1 1 1   -5    1   20 o  208.932   3.3619  434.995   14.019 13.96989 6.723862 
1 1 1   -5    1   21 o  516.102   5.3714  2665.54   55.444      ?      ? 
1 1 1   -5    1   22 o  410.108   3.2967  1683.11   27.040 -1.078430 6.593476 
1 1 1   -5    1   23 o   61.503   10.598   39.651   12.934 -1.641552 21.19574 
1 1 1   -5    1   24 o  221.041   3.2896  489.025   14.538 -0.6273651 6.579116 
1 1 1   -5    1   25 o  410.644   3.3091  1688.18   27.176 -3.437134 6.618181 
1 1 1   -5    1   26 o  461.661   3.5337  2134.50   32.627 2.447327 7.067488 
1 1 1   -5    1   27 o  217.181   3.3414  472.514   14.509 -1.597610 6.682716 
1 1 1   -5    1   28 o  238.327   3.0842  569.081   14.700 1.530701 6.168315 
1 1 1   -5    1   29 f  215.429   3.1406  465.111   13.531 2.136612 6.281157 
1 1 1   -5    1   30 o  190.313   3.2086  363.286   12.213 0.5593414 6.417179 
1 1 1   -5    1   31 o   44.860   10.350   19.464   11.190 14.44900 20.70096 
1 1 1   -5    1   33 o   62.305   8.4929   40.733   10.356 -8.232437 16.98585 
1 1 1   -5    1   34 o   90.635   5.8639   84.887   10.577 -10.55868 11.72773 
1 1 1   -5    1   35 o   71.371   8.0354   53.587   10.890 23.54555 16.07075 
1 1 1   -5    1   36 o  110.329   5.0463  123.435   11.131 3.266762 10.09254 
1 1 1   -5    1   37 o   39.491   10.511   13.304   11.391 -4.455532 21.02149 
1 1 1   -5    1   38 o  107.999   5.6308  118.954   12.162 -1.620644 11.26164 
1 1 1   -5    1   39 o  127.070   4.8784  164.351   12.372 -10.06971 9.756758 
1 1 1   -5    1   40 o   93.925   6.2096   90.149   11.665 0.5042801 12.41915 
1 1 1   -5    1   41 o  100.551   5.1127  104.414   10.253 -10.13751 10.22545 
1 1 1   -5    2    3 o  532.646   7.3536  2840.48   78.338      ?      ? 
1 1 1   -5    2    4 o  437.860   4.3228  1918.31   37.846 6.408386 8.645640 
1 1 1   -5    2    5 o  214.871   2.2351  462.172   9.0607 -0.5016937 4.470286 
1 1 1   -5    2    6 o  202.441   2.2490  403.863   8.4746 8.074280 4.497930 
1 1 1   -5    2    7 o  152.683   1.9482  233.149   5.9478 1.237869 3.896414 
1 1 1   -5    2    8 o  180.966   1.9262  327.503   6.9691 -6.823517 3.852423 
1 1 1   -5    2    9 o  182.725   1.9772  333.628   7.2177 4.124008 3.954350 
1 1 1   -5    2   10 o  226.830   2.0422  514.466   9.2621 -6.839417 4.084344 
1 1 1   -5    2   11 o  503.775   3.5273  2540.69   35.539 -1.606689 7.054518 
1 1 1   -5    2   12 o  137.094   2.6745  188.134   7.3290 5.202499 5.349007 
1 1 1   -5    2   13 o  478.973   3.4025  2295.37   32.586 6.167175 6.804945 
1 1 1   -5    2   14 o  193.408   2.4863  374.203   9.6166 0.8201599E-01 4.972561 
1 1 1   -5    2   15 f  231.551   2.5009  536.227   11.577 1.550354 5.001831 
1 1 1   -5    2   16 o  329.453   2.7413  1085.26   18.053 4.778320 5.482593 
1 1 1   -5    2   17 o  389.030   3.0371  1514.06   23.629 -0.2847290E-01 6.074216 
1 1 1   -5    2   18 o  281.425   3.8159  792.282   21.478      ?      ? 
1 1 1   -5    2   19 o  526.488   3.8186  2768.00   40.139 17.85583 7.637295 
1 1 1   -5    2   22 o  221.619   3.2678  491.380   14.480 1.955276 6.535652 
1 1 1   -5    2   23 o  105.301   6.0709  111.281   12.765 -7.289268 12.14179 
1 1 1   -5    2   24 o  213.555   3.3863  456.892   14.443 -13.42606 6.772617 
1 1 1   -5    2   25 o  193.576   3.6650  375.268   14.187 4.083435 7.330046 
1 1 1   -5    2   26 o  129.904   4.9352  169.358   12.811 -2.202286 9.870402 
1 1 1   -5    2   28 o  159.540   3.9355  255.291   12.556 2.617645 7.870965 
1 1 1   -5    2   29 f  272.252   2.9116  742.569   15.853 3.738495 5.823292 
1 1 1   -5    2   30 o   33.479   9.7057   2.6315   10.737 -8.648310 19.41131 
1 1 1   -5    2   31 o   29.778   13.291  -5.7219   16.181      ?      ? 
1 1 1   -5    2   32 o  132.843   6.5925  177.215   17.515      ?      ? 
1 1 1   -5    2   33 o   27.179   8.6368 -11.0928   10.400 10.63262 17.27367 
1 1 1   -5    2   34 o  130.459   4.3501  172.517   11.338 8.374229 8.700199 
1 1 1   -5    2   35 o  116.919   4.9092  138.241   11.470 4.264923 9.818434 
1 1 1   -5    2   36 o  116.462   4.8729  137.381   11.341 6.354477 9.745877 
1 1 1   -5    2   37 o  122.483   4.8657  152.295   11.901 9.431236 9.731494 
1 1 1   -5    2   38 o   41.637   10.660   14.793   11.824 12.23233 21.32031 
1 1 1   -5    2   39 o  117.670   5.2071  141.081   12.253 0.2233429 10.41426 
1 1 1   -5    2   40 o   88.618   6.6166   80.432   11.722 -0.4082413 13.23318 
1 1 1   -5    2   41 o   56.857   10.503   41.312   13.845 -33.25722 21.00619 
1 1 1   -5    3    3 o  354.886   5.0433  1260.21   35.796      ?      ? 
1 1 1   -5    3    4 o  490.912   4.8215  2408.86   47.271 -14.84338 9.643042 
1 1 1   -5    3    5 o  182.816   2.1941  338.399   7.6511 -7.697723 4.388184 
1 1 1   -5    3    6 o  324.116   2.8840  1056.37   17.774 -5.308411 5.768081 
1 1 1   -5    3    7 o  191.860   1.8748  368.212   7.1937 -2.172028 3.749581 
1 1 1   -5    3    8 f  174.962   1.9156  306.223   6.7026 -0.5677338 3.831101 
1 1 1   -5    3    9 o  358.202   2.6026  1283.88   18.645 -0.1030273 5.205293 
1 1 1   -5    3   10 o  126.199   2.4657  159.340   6.2221 3.585182 4.931490 
1 1 1   -5    3   11 o  464.045   3.2743  2155.39   30.388 0.8560181 6.548599 
1 1 1   -5    3   12 o  354.154   2.6532  1254.84   18.791 2.690643 5.306385 
1 1 1   -5    3   13 o  180.303   2.4578  324.559   8.8494 13.88989 4.915501 
1 1 1   -5    3   14 o  517.404   3.6605  2678.60   37.873 -5.843445 7.320941 
1 1 1   -5    3   15 f  316.343   2.6287  1000.97   16.630 -2.958862 5.257325 
1 1 1   -5    3   16 o  135.761   7.1884  184.538   19.518      ?      ? 
1 1 1   -5    3   17 f  834.813   5.7739  6978.75   96.394 -6.372681 11.54772 
1 1 1   -5    3   18 o  512.440   3.7027  2622.77   37.891 16.55084 7.405454 
1 1 1   -5    3   19 o  475.402   4.9752  2261.43   47.304      ?      ? 
1 1 1   -5    3   20 o  321.144   3.0181  1031.93   19.382 -2.424225 6.036271 
1 1 1   -5    3   21 f  405.539   3.2711  1645.13   26.522 4.176971 6.542271 
1 1 1   -5    3   22 o   36.723   10.618   4.6238   12.428 -2.467926 21.23564 
1 1 1   -5    3   23 o  252.050   3.1408  635.917   15.829 -4.137878 6.281532 
1 1 1   -5    3   24 o  131.705   4.8340  173.985   12.706 10.70686 9.668037 
1 1 1   -5    3   25 o  259.447   3.1532  673.870   16.361 -2.563629 6.306391 
1 1 1   -5    3   26 o  159.925   4.1414  256.016   13.235 4.063354 8.282786 
1 1 1   -5    3   27 o  359.940   3.1330  1297.69   22.551 -1.985077 6.265901 
1 1 1   -5    3   28 o  303.633   2.9795  923.599   18.091 -2.947540 5.959052 
1 1 1   -5    3   29 o  223.091   3.0796  498.501   13.729 3.160873 6.159161 
1 1 1   -5    3   30 o   47.734   9.8026   22.955   10.577 19.40059 19.60523 
1 1 1   -5    3   31 o   39.120   15.096   11.153   16.770      ?      ? 
1 1 1   -5    3   32 o   37.384   10.610   6.9895   12.089 4.853420 21.21999 
1 1 1   -5    3   33 o   34.996   9.8432   7.2039   10.362 -1.851574 19.68633 
1 1 1   -5    3   34 o  143.784   4.0723  208.421   11.705 -5.556290 8.144628 
1 1 1   -5    3   35 o   52.461   14.622   30.129   15.908      ?      ? 
1 1 1   -5    3   36 o   58.865   9.6419   38.038   11.215 -12.40906 19.28381 
1 1 1   -5    3   37 o   24.578   8.2942 -20.4555   11.538 -2.150810 16.58831 
1 1 1   -5    3   38 o  135.055   4.5227  185.224   12.167 -5.451492 9.045442 
1 1 1   -5    3   39 f   27.924   9.0686 -10.2323   11.581 -2.046707 18.13717 
1 1 1   -5    3   40 o   56.931   9.2696   33.935   11.468 35.27347 18.53927 
1 1 1   -5    3   41 o   37.939   10.940   17.907   13.221 17.60661 21.88086 
1 1 1   -5    4    2 o  260.670   3.9091  679.751   20.380      ?      ? 
1 1 1   -5    4    3 o  581.573   8.0074  3388.28   93.138      ?      ? 
1 1 1   -5    4    4 o  589.522   8.1242  3482.50   95.788      ?      ? 
1 1 1   -5    4    5 o  339.966   3.0040  1158.19   19.334 -1.607117 6.007989 
1 1 1   -5    4    6 o  484.211   4.1099  2365.32   37.985 -12.58603 8.219704 
1 1 1   -5    4    7 o  118.797   4.4723  141.248   10.626      ?      ? 
1 1 1   -5    4    8 o  408.758   2.8999  1671.76   23.704 -4.583496 5.799832 
1 1 1   -5    4    9 o  340.184   2.5048  1157.91   17.041 0.4261169 5.009554 
1 1 1   -5    4   10 f  107.709   2.8343  116.091   6.1055 1.241302 5.668697 
1 1 1   -5    4   11 o  183.876   2.1867  338.228   8.0414 0.7893219 4.373467 
1 1 1   -5    4   12 o   58.644   5.7677   34.518   6.7406 -6.262062 11.53537 
1 1 1   -5    4   13 f  471.737   3.3630  2226.11   31.720 -7.470184 6.726005 
1 1 1   -5    4   14 o  208.610   2.4680  435.355   10.297 -1.771088 4.936025 
1 1 1   -5    4   15 f  687.844   4.7798  4736.09   65.746 -7.152283 9.559513 
1 1 1   -5    4   16 o  404.639   3.0808  1638.04   24.932 0.8969727 6.161527 
1 1 1   -5    4   17 o  639.236   4.4866  4089.97   57.361 0.1975098 8.973297 
1 1 1   -5    4   18 o  224.124   2.8242  502.433   12.656 1.447128 5.648308 
1 1 1   -5    4   19 o  361.346   4.2669  1306.29   30.836      ?      ? 
1 1 1   -5    4   20 o  154.013   5.9164  237.402   18.224      ?      ? 
1 1 1   -5    4   21 f  201.216   3.3897  404.651   13.632 9.043579 6.779469 
1 1 1   -5    4   22 o  251.059   4.3572  630.682   21.878      ?      ? 
1 1 1   -5    4   23 o  320.181   3.0347  1025.87   19.430 -0.7269897 6.069388 
1 1 1   -5    4   24 o  105.006   6.0393  110.708   12.676 2.938843 12.07859 
1 1 1   -5    4   25 o  497.192   3.7208  2475.75   36.996 -3.106750 7.441545 
1 1 1   -5    4   26 o   97.788   6.5548   95.811   12.781 10.69211 13.10966 
1 1 1   -5    4   27 o  260.244   3.0660  678.483   15.948 -1.186218 6.132061 
1 1 1   -5    4   28 o  182.428   3.6030  333.543   13.138 1.243195 7.206089 
1 1 1   -5    4   29 o  222.205   3.0844  494.820   13.700 0.9710693 6.168830 
1 1 1   -5    4   30 o   39.183   10.280   12.053   10.798 6.591553 20.55972 
1 1 1   -5    4   31 o   34.242   14.372   2.4101   16.643      ?      ? 
1 1 1   -5    4   33 o   95.117   5.7251   93.059   10.709 -10.48570 11.45019 
1 1 1   -5    4   34 o  156.293   3.8553  245.093   12.024 2.020721 7.710620 
1 1 1   -5    4   35 o   64.833   8.7718   45.150   11.067 -13.22821 17.54359 
1 1 1   -5    4   36 o   82.564   7.0438   71.343   11.339 -17.65845 14.08757 
1 1 1   -5    4   37 o   95.834   6.1917   95.025   11.749 -10.60616 12.38343 
1 1 1   -5    4   38 o  127.298   4.6763  164.045   11.878 1.592094 9.352688 
1 1 1   -5    4   39 o  124.765   4.8200  158.599   11.944 -17.41978 9.639936 
1 1 1   -5    4   40 o   62.479   9.3551   42.196   11.320 -0.8693810 18.71026 
1 1 1   -5    5    2 o  294.665   4.2962  868.760   25.319      ?      ? 
1 1 1   -5    5    3 o  208.514   3.4823  434.954   14.522      ?      ? 
1 1 1   -5    5    4 o  434.336   6.0578  1888.99   52.622      ?      ? 
1 1 1   -5    5    5 o  137.324   2.3668  189.040   6.2630 -1.053085 4.733696 
1 1 1   -5    5    6 o  471.711   4.0273  2231.53   35.922 -2.400024 8.054592 
1 1 1   -5    5    7 o  149.945   2.4723  227.062   7.0031 -4.388245 4.944678 
1 1 1   -5    5    8 o  467.987   3.2811  2192.22   30.709 1.816986 6.562139 
1 1 1   -5    5    9 o  208.835   2.0252  436.186   8.4577 3.096786 4.050437 
1 1 1   -5    5   10 o  186.288   2.1060  346.634   7.8386 6.302185 4.211904 
1 1 1   -5    5   11 f  125.310   2.7010  157.045   6.7676 3.423035 5.401979 
1 1 1   -5    5   12 o  359.794   2.6926  1295.17   19.375 -1.356262 5.385162 
1 1 1   -5    5   13 o  315.885   2.5276  998.143   15.968 -3.100067 5.055273 
1 1 1   -5    5   14 o  449.436   3.2561  2020.80   29.266 -5.001862 6.512156 
1 1 1   -5    5   15 o  111.365   4.0914  124.103   9.1116 -2.448181 8.182788 
1 1 1   -5    5   16 o  262.974   2.6324  691.008   13.837 8.090393 5.264876 
1 1 1   -5    5   17 o  549.028   3.9267  3016.52   43.118 -0.4956055E-01 7.853440 
1 1 1   -5    5   18 o  715.710   4.9912  5128.70   71.445 0.7098389E-01 9.982368 
1 1 1   -5    5   21 o  157.538   3.9988  248.589   12.591 5.800018 7.997689 
1 1 1   -5    5   23 f  230.222   3.2157  530.368   14.804 -3.034943 6.431329 
1 1 1   -5    5   24 o  207.237   3.3929  429.982   14.062 -2.177856 6.785872 
1 1 1   -5    5   25 o  218.848   3.2828  479.533   14.368 0.9770050 6.565593 
1 1 1   -5    5   26 o  338.760   3.0704  1148.87   20.801 -5.420624 6.140742 
1 1 1   -5    5   27 o   30.580   9.6495  -6.6959   12.012 1.786167 19.29893 
1 1 1   -5    5   28 o  130.882   4.5250  172.014   11.842 3.693024 9.049954 
1 1 1   -5    5   29 o  116.916   4.8960  137.706   11.423 -9.469063 9.791986 
1 1 1   -5    5   30 o  144.334   3.9621  209.186   11.428 1.835999 7.924134 
1 1 1   -5    5   31 o  190.247   5.3773  362.871   20.460      ?      ? 
1 1 1   -5    5   32 o   75.027   8.2210   60.375   11.730 -11.81658 16.44207 
1 1 1   -5    5   33 o  147.492   3.8443  220.299   11.257 -10.79234 7.688532 
1 1 1   -5    5   34 o  161.434   5.4304  261.360   17.533      ?      ? 
1 1 1   -5    5   35 o  104.750   5.4072  112.276   11.247 -10.53442 10.81446 
1 1 1   -5    5   36 o  106.881   5.3365  115.349   11.308 1.432953 10.67303 
1 1 1   -5    5   37 o   34.790   9.7526  -0.7040   11.337 20.61349 19.50520 
1 1 1   -5    5   38 o   63.402   9.4124   43.623   11.448 0.7560158 18.82485 
1 1 1   -5    5   39 o   40.956   10.643   14.882   11.622 -6.366131 21.28615 
1 1 1   -5    5   40 o   79.883   7.0772   65.513   11.279 -6.886993 14.15446 
1 1 1   -5    6    2 o  535.319   7.3889  2871.38   79.108      ?      ? 
1 1 1   -5    6    3 o  232.208   3.6663  539.486   17.027      ?      ? 
1 1 1   -5    6    4 o  323.044   3.2912  1044.21   21.260 4.450745 6.582370 
1 1 1   -5    6    5 o  318.790   2.8537  1012.81   17.130 3.779297 5.707499 
1 1 1   -5    6    6 o  449.259   3.8699  2000.35   32.359 12.19534 7.739854 
1 1 1   -5    6    7 o  380.055   3.3220  1448.20   23.881 -2.011353 6.644075 
1 1 1   -5    6    8 o   88.741   3.8007   79.696   6.2492 -2.602966 7.601393 
1 1 1   -5    6    9 o  162.866   2.0754  265.237   6.7535 1.586899 4.150748 
1 1 1   -5    6   10 o  183.108   2.1150  335.484   7.7425 -1.645691 4.230014 
1 1 1   -5    6   11 f  315.003   2.4395  992.706   15.368 0.2787781 4.879027 
1 1 1   -5    6   12 o  241.212   2.2753  581.893   10.974 2.362000 4.550614 
1 1 1   -5    6   13 o  221.868   2.3621  492.417   10.480 -0.2364044 4.724262 
1 1 1   -5    6   14 o  222.390   2.4774  494.670   11.014 0.9172058 4.954803 
1 1 1   -5    6   15 o  427.909   3.1763  1831.94   27.183 0.6166382 6.352563 
1 1 1   -5    6   16 o  229.228   3.9098  525.633   17.925      ?      ? 
1 1 1   -5    6   17 o  356.728   2.9076  1272.55   20.738 -5.357391 5.815252 
1 1 1   -5    6   18 o  133.587   4.2850  178.704   11.426 1.095734 8.570045 
1 1 1   -5    6   20 o  655.098   4.6281  4295.97   60.636 3.598633 9.256265 
1 1 1   -5    6   21 o  214.739   3.2526  461.452   13.969 -0.2800903 6.505248 
1 1 1   -5    6   22 o  314.655   3.0316  990.685   19.075 7.103729 6.063107 
1 1 1   -5    6   23 o   33.358   10.048  -2.7930   12.317 9.111280 20.09534 
1 1 1   -5    6   24 o  230.552   3.1949  532.121   14.731 0.3897552 6.389708 
1 1 1   -5    6   25 o  265.502   3.0303  705.546   16.088 -6.532532 6.060568 
1 1 1   -5    6   26 o  121.150   7.3449  147.295   17.797      ?      ? 
1 1 1   -5    6   27 o  229.503   3.1217  527.781   14.326 -6.293442 6.243478 
1 1 1   -5    6   28 o   72.598   7.7733   53.381   11.284 2.087212 15.54663 
1 1 1   -5    6   29 o  198.877   3.1585  396.497   12.561 4.009811 6.316996 
1 1 1   -5    6   30 o   60.590   9.2160   39.002   10.827 4.276596 18.43192 
1 1 1   -5    6   32 o   50.274   10.162   26.926   11.153 -14.93884 20.32478 
1 1 1   -5    6   33 o  103.915   5.2338  109.399   10.875 -1.270706 10.46762 
1 1 1   -5    6   34 o  210.866   3.1338  445.468   13.216 0.6193237 6.267692 
1 1 1   -5    6   35 o   35.059   9.9247   7.3254   10.567 1.982681 19.84944 
1 1 1   -5    6   36 o  121.852   4.6696  148.768   11.342 11.42157 9.339291 
1 1 1   -5    6   37 o   41.814   10.640   16.342   11.365 -2.011055 21.28036 
1 1 1   -5    6   38 o   41.849   10.496   16.484   11.494 -10.10521 20.99220 
1 1 1   -5    6   39 o   45.154   10.710   20.677   11.516 7.932930 21.41909 
1 1 1   -5    6   40 o  110.680   5.1117  124.515   11.286 -7.401070 10.22341 
1 1 1   -5    7    1 o  344.745   4.8902  1189.65   33.717      ?      ? 
1 1 1   -5    7    2 o  215.854   3.5082  466.167   15.145      ?      ? 
1 1 1   -5    7    3 f  173.475   3.3625  301.081   11.666      ?      ? 
1 1 1   -5    7    4 o  166.846   2.4377  278.529   8.1340 0.3721008 4.875474 
1 1 1   -5    7    5 o  374.842   3.2550  1409.23   23.130 -2.499298 6.509967 
1 1 1   -5    7    6 o  400.605   3.4728  1605.71   26.242 0.5374146 6.945654 
1 1 1   -5    7    7 o  188.323   2.3625  354.779   8.3611 0.6198120E-01 4.724933 
1 1 1   -5    7    8 o  279.747   2.7006  785.292   14.217 -2.385223 5.401128 
1 1 1   -5    7    9 f  305.107   2.3285  930.331   14.200 -9.198212 4.657047 
1 1 1   -5    7   10 o  337.943   2.5252  1140.95   17.047 9.572540 5.050389 
1 1 1   -5    7   11 o  310.955   2.4439  967.335   15.199 -0.8424377 4.887827 
1 1 1   -5    7   12 o   97.765   3.8079   95.614   7.4413 1.409775 7.615819 
1 1 1   -5    7   13 o  372.974   2.8257  1391.69   21.078 -0.8210144 5.651459 
1 1 1   -5    7   14 o  417.353   3.0887  1742.69   25.781 -0.5433350 6.177431 
1 1 1   -5    7   15 o  150.298   3.2659  226.024   9.8157 -1.072083 6.531709 
1 1 1   -5    7   16 o  577.301   4.0859  3335.35   47.176 0.9920044 8.171745 
1 1 1   -5    7   17 o  426.043   3.9601  1806.40   31.444 -6.392731 7.920218 
1 1 1   -5    7   19 o   43.987   15.617   16.724   17.290      ?      ? 
1 1 1   -5    7   20 o  229.442   3.2009  526.845   14.686 3.651154 6.401724 
1 1 1   -5    7   21 o  164.023   5.4641  269.287   17.925      ?      ? 
1 1 1   -5    7   22 o  296.000   3.0297  876.938   17.930 9.075562 6.059435 
1 1 1   -5    7   23 o  130.408   4.8278  170.771   12.565 5.962669 9.655555 
1 1 1   -5    7   24 o  223.913   3.2501  501.963   14.553 0.1111450 6.500178 
1 1 1   -5    7   25 o  418.861   3.3296  1756.71   27.891 3.176392 6.659123 
1 1 1   -5    7   26 o   27.575   12.801 -14.7233   16.945      ?      ? 
1 1 1   -5    7   27 o  155.728   3.9294  243.368   12.232 -3.593124 7.858705 
1 1 1   -5    7   28 f  138.290   4.1961  191.892   11.602 4.668610 8.392271 
1 1 1   -5    7   29 o   24.899   8.2931 -16.4470   10.750 -0.5954132 16.58620 
1 1 1   -5    7   30 o  176.219   3.4765  311.911   12.249 2.930542 6.952906 
1 1 1   -5    7   32 o   41.052   10.437   15.141   10.952 -1.644138 20.87491 
1 1 1   -5    7   33 o  105.882   5.5190  115.494   11.606 -14.07832 11.03806 
1 1 1   -5    7   35 o   20.522   7.1730 -32.9990   10.693 2.901257 14.34608 
1 1 1   -5    7   36 o   76.246   7.2823   59.486   11.084 3.347710 14.56459 
1 1 1   -5    7   37 f   81.197   7.0990   67.529   11.494 6.638748 14.19807 
1 1 1   -5    7   38 f   98.882   5.9322  100.846   11.643 -10.43739 11.86432 
1 1 1   -5    7   39 o   35.933   10.251   7.4650   11.363 2.665478 20.50232 
1 1 1   -5    7   40 f   42.549   10.351   17.993   10.693 -3.429111 20.70154 
1 1 1   -5    8    1 o  291.570   4.2411  850.804   24.732      ?      ? 
1 1 1   -5    8    2 o  219.405   3.5376  481.651   15.523      ?      ? 
1 1 1   -5    8    3 o  305.854   4.4402  936.292   27.161      ?      ? 
1 1 1   -5    8    4 o  183.036   2.4667  334.841   9.0250 6.629776 4.933465 
1 1 1   -5    8    5 o  220.639   2.2935  492.662   9.6895 -9.151993 4.586954 
1 1 1   -5    8    6 o  265.121   2.5514  700.295   12.693 3.217499 5.102765 
1 1 1   -5    8    7 o  296.186   2.7705  873.094   15.337 4.422852 5.541031 
1 1 1   -5    8    8 o  331.061   3.0276  1097.40   18.821 -0.5549011 6.055248 
1 1 1   -5    8    9 f  159.396   2.7873  258.049   8.1457 -6.154404 5.574683 
1 1 1   -5    8   10 o  225.500   2.6124  511.340   11.082 -3.456055 5.224805 
1 1 1   -5    8   11 o  156.202   2.5310  244.286   7.8960 -2.737762 5.062021 
1 1 1   -5    8   12 o  524.595   3.6958  2753.82   38.773 3.394958 7.391661 
1 1 1   -5    8   13 o  428.027   3.1309  1832.36   26.796 -6.453156 6.261868 
1 1 1   -5    8   14 o  367.272   2.8403  1349.39   20.863 0.3238831 5.680550 
1 1 1   -5    8   15 o  348.625   2.8162  1215.76   19.635 -2.691528 5.632413 
1 1 1   -5    8   16 o   98.811   5.0210   98.529   9.8245 15.16455 10.04198 
1 1 1   -5    8   17 o  276.291   2.7554  761.782   15.187 -8.970428 5.510866 
1 1 1   -5    8   18 f  577.252   4.1357  3334.43   47.737 -5.341125 8.271403 
1 1 1   -5    8   20 o  147.700   6.1204  218.437   18.080      ?      ? 
1 1 1   -5    8   21 f  285.697   2.9915  814.448   17.068 20.51904 5.983037 
1 1 1   -5    8   22 o   48.796   10.265   22.363   12.028 24.25467 20.53041 
1 1 1   -5    8   23 o  211.186   3.3088  446.461   13.974 -0.4408264 6.617645 
1 1 1   -5    8   24 o  138.450   4.5024  192.138   12.466 -2.778748 9.004868 
1 1 1   -5    8   25 f  150.409   5.9518  226.721   17.904      ?      ? 
1 1 1   -5    8   26 o  158.820   3.9399  253.152   12.504 -4.247787 7.879732 
1 1 1   -5    8   27 o  177.148   3.4406  314.376   12.184 2.658585 6.881270 
1 1 1   -5    8   28 o   75.190   7.2159   57.263   10.837 -0.2839279 14.43183 
1 1 1   -5    8   29 o   61.128   9.0021   39.544   10.655 7.012657 18.00416 
1 1 1   -5    8   30 o   23.332   11.344 -28.6129   16.808      ?      ? 
1 1 1   -5    8   31 o  156.053   4.1146  243.776   12.806 16.07365 8.229248 
1 1 1   -5    8   32 f  148.356   3.8392  221.590   11.382 -6.891006 7.678394 
1 1 1   -5    8   34 f   21.246   7.4589 -39.4826   12.076 0.6489620 14.91780 
1 1 1   -5    8   35 o   25.042   8.3142 -17.5845   10.768 7.658823 16.62835 
1 1 1   -5    8   36 o   25.408   8.3730 -22.4986   11.071 13.44097 16.74602 
1 1 1   -5    8   37 o   87.420   6.5543   77.945   11.421 8.445709 13.10858 
1 1 1   -5    8   38 o  172.312   3.6247  299.646   12.478 0.4491425 7.249361 
1 1 1   -5    8   39 o   68.721   8.6369   50.970   11.404 -14.26227 17.27373 
1 1 1   -5    8   40 o   74.703   9.9007   61.651   14.352 -2.259987 19.80144 
1 1 1   -5    9    1 o  149.556   3.3146  223.783   9.9144      ?      ? 
1 1 1   -5    9    2 o  152.247   3.3299  231.911   10.139      ?      ? 
1 1 1   -5    9    3 o  271.847   4.0708  739.576   22.133      ?      ? 
1 1 1   -5    9    4 o  447.634   4.4116  2006.82   39.487 5.615784 8.823297 
1 1 1   -5    9    5 o  168.225   3.6363  283.169   12.234      ?      ? 
1 1 1   -5    9    6 o  157.794   3.9789  249.163   12.557      ?      ? 
1 1 1   -5    9    7 o  457.330   3.9471  2087.51   33.838 3.986908 7.894269 
1 1 1   -5    9    8 o  170.043   4.4352  289.367   15.083      ?      ? 
1 1 1   -5    9    9 o  206.700   2.6318  436.053   10.149 -12.01285 5.263541 
1 1 1   -5    9   10 o  263.194   2.2582  691.608   11.864 7.708069 4.516333 
1 1 1   -5    9   11 o  144.754   2.6846  210.360   7.7444 -9.152100 5.369164 
1 1 1   -5    9   12 o  332.987   2.6174  1109.21   17.431 -0.3378296 5.234816 
1 1 1   -5    9   13 o  281.528   2.4932  792.834   14.038 -3.800934 4.986461 
1 1 1   -5    9   14 o  317.634   2.6798  1009.21   17.023 0.4108582 5.359612 
1 1 1   -5    9   15 f  491.679   3.5485  2418.63   34.892 4.997620 7.097076 
1 1 1   -5    9   16 o  331.118   2.8153  1096.85   18.644 2.029114 5.630679 
1 1 1   -5    9   17 o  667.522   4.6876  4459.11   62.562 -9.116211 9.375165 
1 1 1   -5    9   18 o  198.338   4.8994  393.611   19.435      ?      ? 
1 1 1   -5    9   19 o  337.227   3.0336  1137.56   20.453 -2.982880 6.067214 
1 1 1   -5    9   20 o  309.234   4.1945  956.791   25.941      ?      ? 
1 1 1   -5    9   21 o   29.770   9.3577 -12.6279   12.138 -11.76070 18.71539 
1 1 1   -5    9   22 o  350.933   3.0489  1232.49   21.398 4.288055 6.097785 
1 1 1   -5    9   23 o  145.878   4.2741  213.221   12.453 10.08803 8.548278 
1 1 1   -5    9   24 o   61.605   9.6553   39.723   11.929 19.46531 19.31068 
1 1 1   -5    9   25 o  192.905   3.4641  372.171   13.342 15.98283 6.928162 
1 1 1   -5    9   26 o  285.796   2.9217  818.268   16.698 -1.503998 5.843359 
1 1 1   -5    9   27 f   43.557   10.115   17.492   10.920 -15.64957 20.22991 
1 1 1   -5    9   28 o  247.710   2.8904  614.945   14.318 1.793060 5.780784 
1 1 1   -5    9   29 o   66.684   8.1832   46.438   10.570 -11.98106 16.36637 
1 1 1   -5    9   31 o  213.432   3.1050  457.494   13.249 6.494858 6.210066 
1 1 1   -5    9   32 o   37.797   10.058   10.690   10.637 -7.947407 20.11649 
1 1 1   -5    9   34 o   22.719   7.8266 -28.6845   11.584 -1.521866 15.65317 
1 1 1   -5    9   35 f  112.251   7.3404  127.468   16.479      ?      ? 
1 1 1   -5    9   36 o  142.127   4.1513  203.741   11.767 3.439178 8.302682 
1 1 1   -5    9   37 o   52.402   9.6148   27.930   11.344 31.81139 19.22968 
1 1 1   -5    9   38 o   59.094   9.8355   38.226   11.463 9.458549 19.67103 
1 1 1   -5    9   39 o   63.710   9.1230   43.852   11.357 -14.68204 18.24606 
1 1 1   -5   10    1 o  208.365   3.4406  434.395   14.338      ?      ? 
1 1 1   -5   10    2 o  210.212   3.5293  442.143   14.838      ?      ? 
1 1 1   -5   10    3 o  427.536   5.9749  1830.79   51.090      ?      ? 
1 1 1   -5   10    4 o  202.417   2.5286  409.575   10.227 4.169342 5.057204 
1 1 1   -5   10    5 o  233.378   2.7199  545.042   12.693 -5.991318 5.439894 
1 1 1   -5   10    6 o  284.333   2.7064  799.453   14.290 8.788696 5.412713 
1 1 1   -5   10    7 o  312.254   2.9001  983.759   17.167 -8.386047 5.800158 
1 1 1   -5   10    8 o  247.897   2.6600  602.121   12.105 12.63077 5.320046 
1 1 1   -5   10    9 o  636.680   5.4189  4039.98   64.525 8.791443 10.83780 
1 1 1   -5   10   10 o  343.200   3.2147  1187.98   20.811 -8.475922 6.429425 
1 1 1   -5   10   11 f  620.333   4.3122  3851.73   53.499 -3.580688 8.624424 
1 1 1   -5   10   12 o  198.167   2.4717  393.083   9.7894 -6.795990 4.943350 
1 1 1   -5   10   13 o  307.337   2.5821  944.233   15.863 5.852997 5.164218 
1 1 1   -5   10   14 o  349.587   3.9168  1222.55   27.386      ?      ? 
1 1 1   -5   10   15 o  580.670   4.0864  3370.93   47.421 15.32544 8.172762 
1 1 1   -5   10   16 o  171.966   3.2060  296.522   11.001 11.16821 6.412012 
1 1 1   -5   10   17 o  363.229   3.0027  1317.42   21.792 16.42938 6.005421 
1 1 1   -5   10   18 o  191.285   4.7885  366.109   18.319      ?      ? 
1 1 1   -5   10   19 o  206.535   3.2846  427.640   13.541 7.810089 6.569288 
1 1 1   -5   10   20 f  219.970   3.1855  484.569   14.004 6.473633 6.371054 
1 1 1   -5   10   21 o  233.770   3.0845  546.976   14.417 1.122849 6.168955 
1 1 1   -5   10   22 o  338.899   3.0033  1149.46   20.356 3.301147 6.006620 
1 1 1   -5   10   23 o  273.126   2.9691  746.597   16.217 5.095001 5.938113 
1 1 1   -5   10   24 o  190.762   3.4676  364.411   13.228 0.7712250 6.935250 
1 1 1   -5   10   25 o  168.637   3.7165  284.883   12.531 4.568970 7.433083 
1 1 1   -5   10   26 o  265.999   2.8663  708.690   15.248 -1.068756 5.732519 
1 1 1   -5   10   27 o   69.079   7.8357   48.390   10.813 0.2617111 15.67134 
1 1 1   -5   10   28 o  227.619   2.9364  519.528   13.362 -8.049911 5.872730 
1 1 1   -5   10   29 o   32.473   9.6949   1.6663   10.852 -2.286562 19.38971 
1 1 1   -5   10   30 o  169.831   3.6672  286.169   12.393 21.92645 7.334385 
1 1 1   -5   10   31 o   34.452   9.4407   4.7865   10.252 -14.19790 18.88148 
1 1 1   -5   10   32 o  144.670   3.8540  211.553   11.144 -1.797089 7.707933 
1 1 1   -5   10   34 o   49.824   10.483   26.973   11.219 2.519833 20.96650 
1 1 1   -5   10   35 o  139.270   4.2125  196.292   11.676 -9.927994 8.424922 
1 1 1   -5   10   36 o   74.146   7.6686   57.231   11.248 -5.710793 15.33715 
1 1 1   -5   10   37 o  124.214   4.7925  157.587   11.815 -8.786278 9.585094 
1 1 1   -5   10   38 o   86.525   6.6827   77.657   11.449 -8.603447 13.36533 
1 1 1   -5   10   39 o  101.829   5.4886  105.360   11.175 -0.8815231 10.97721 
1 1 1   -5   11    1 o  193.244   3.4214  373.615   13.223      ?      ? 
1 1 1   -5   11    2 o  313.152   4.5506  981.481   28.501      ?      ? 
1 1 1   -5   11    3 o  585.062   8.0866  3432.01   94.623      ?      ? 
1 1 1   -5   11    4 o  270.433   2.9459  731.898   15.932 -3.582458 5.891847 
1 1 1   -5   11    5 o  359.249   3.6549  1291.47   26.251 3.897186 7.309863 
1 1 1   -5   11    6 o  464.011   4.0127  2128.93   34.500 14.79025 8.025331 
1 1 1   -5   11    7 o  226.767   4.2249  514.523   19.161      ?      ? 
1 1 1   -5   11    8 o  280.530   2.7757  795.269   14.736 -8.990601 5.551451 
1 1 1   -5   11    9 o   96.670   4.5912   97.108   7.7614 -7.844658 9.182326 
1 1 1   -5   11   10 o  453.862   3.9888  2044.85   33.660 9.792175 7.977562 
1 1 1   -5   11   11 o  418.558   3.7480  1757.16   29.534 -2.977417 7.496056 
1 1 1   -5   11   12 o  433.870   3.1617  1883.10   27.434 -4.434967 6.323308 
1 1 1   -5   11   13 o  256.971   2.4794  660.458   12.735 0.7682190 4.958879 
1 1 1   -5   11   14 o  440.928   3.2275  1945.11   28.462 2.824738 6.455070 
1 1 1   -5   11   15 o  388.012   2.9828  1505.98   23.145 6.017639 5.965522 
1 1 1   -5   11   18 o  124.603   4.6675  155.371   11.626 -2.752930 9.335012 
1 1 1   -5   11   19 o  331.880   2.9368  1101.44   19.487 11.23618 5.873506 
1 1 1   -5   11   20 o  228.446   3.0167  522.525   13.776 6.835159 6.033336 
1 1 1   -5   11   21 o  257.009   2.9489  661.073   15.154 0.1959229 5.897887 
1 1 1   -5   11   22 o  445.841   3.3998  1990.24   30.316 1.184998 6.799685 
1 1 1   -5   11   23 o  329.008   2.9847  1082.89   19.633 9.330811 5.969374 
1 1 1   -5   11   24 o  283.716   2.9545  805.331   16.758 6.599945 5.909063 
1 1 1   -5   11   25 o  323.072   2.9280  1045.44   18.917 2.615540 5.855962 
1 1 1   -5   11   26 o   76.006   7.1033   58.369   10.796 -0.4702759E-01 14.20668 
1 1 1   -5   11   27 o  261.317   2.8227  684.321   14.746 -0.3258362 5.645317 
1 1 1   -5   11   28 f   30.533   9.2519  -2.3306   10.405 8.340807 18.50378 
1 1 1   -5   11   29 f   89.656   6.3909   82.639   11.246 -14.04987 12.78175 
1 1 1   -5   11   30 o  224.719   3.0018  507.301   13.482 -2.601746 6.003502 
1 1 1   -5   11   31 o   64.314   8.3651   43.792   10.358 2.078869 16.73026 
1 1 1   -5   11   32 o  106.945   5.4223  117.320   11.419 -19.90565 10.84453 
1 1 1   -5   11   34 o   83.198   6.4961   71.396   10.716 -6.999100 12.99224 
1 1 1   -5   11   35 o   29.306   9.0965  -8.1955   10.950 13.13577 18.19298 
1 1 1   -5   11   36 o   76.093   7.5187   60.909   11.230 -9.673065 15.03736 
1 1 1   -5   11   37 o  147.157   4.1337  218.314   12.119 6.160950 8.267428 
1 1 1   -5   11   38 o   64.008   9.0593   44.564   11.147 -2.550507 18.11855 
1 1 1   -5   11   39 f   29.364   9.0352  -4.4533   10.536 -9.376539 18.07030 
1 1 1   -5   12    1 o  229.766   3.7324  528.192   17.152      ?      ? 
1 1 1   -5   12    2 f  245.000   3.9224  600.580   19.220      ?      ? 
1 1 1   -5   12    3 o  422.658   5.9556  1788.58   50.344      ?      ? 
1 1 1   -5   12    4 o  375.314   3.8011  1401.34   28.390 21.78696 7.602187 
1 1 1   -5   12    5 o  328.882   3.4331  1077.95   22.492 14.42001 6.866193 
1 1 1   -5   12    6 o  275.940   2.7016  765.447   13.998 -3.962036 5.403193 
1 1 1   -5   12    7 f  260.288   2.6809  671.442   12.950 6.410980 5.361797 
1 1 1   -5   12    8 o  535.162   4.5998  2838.00   45.748 14.36664 9.199676 
1 1 1   -5   12    9 o  459.486   4.0103  2116.61   34.737 -2.480682 8.020574 
1 1 1   -5   12   10 o  257.546   2.9096  671.979   13.917 -9.013916 5.819185 
1 1 1   -5   12   11 o  445.953   3.9620  1978.40   32.987 7.159637 7.923940 
1 1 1   -5   12   12 o  201.735   2.9687  411.103   11.429 -6.768204 5.937451 
1 1 1   -5   12   13 o  383.251   2.8979  1469.44   22.212 0.5856323 5.795870 
1 1 1   -5   12   14 o   93.729   4.8685   88.173   9.1028 4.744881 9.737031 
1 1 1   -5   12   15 o  208.662   2.8444  435.436   11.863 -1.778656 5.688869 
1 1 1   -5   12   17 o  257.053   2.8314  660.953   14.549 -1.704163 5.662714 
1 1 1   -5   12   18 o  212.242   3.0698  450.950   13.014 2.137314 6.139519 
1 1 1   -5   12   19 o  301.035   2.8486  906.665   17.141 -0.9273987 5.697141 
1 1 1   -5   12   20 o  226.107   2.9799  511.727   13.469 8.524033 5.959826 
1 1 1   -5   12   21 o   45.777   10.618   20.130   11.309 -6.135464 21.23523 
1 1 1   -5   12   22 o  201.480   3.2623  406.470   13.145 1.106384 6.524533 
1 1 1   -5   12   23 o   32.474   9.5665  -5.4394   11.647 -16.09350 19.13302 
1 1 1   -5   12   24 o  388.819   3.1418  1513.18   24.420 9.306824 6.283667 
1 1 1   -5   12   25 o  218.028   3.0223  475.971   13.176 6.598495 6.044606 
1 1 1   -5   12   26 o  283.424   2.8206  804.304   15.983 6.346405 5.641234 
1 1 1   -5   12   27 o  110.930   4.8714  124.415   10.760 -6.590141 9.742777 
1 1 1   -5   12   28 o   66.232   8.3643   47.469   10.523 -19.02302 16.72865 
1 1 1   -5   12   30 o   83.527   6.2951   70.541   10.466 11.57129 12.59016 
1 1 1   -5   12   31 o   40.600   10.365   14.966   10.803 -0.1820335 20.73010 
1 1 1   -5   12   33 o   45.277   10.042   18.438   11.111 23.58224 20.08424 
1 1 1   -5   12   34 o  119.124   4.7189  143.908   11.164 -6.137779 9.437893 
1 1 1   -5   12   35 o  123.500   4.6868  155.676   11.458 -8.577530 9.373638 
1 1 1   -5   12   36 o   32.827   9.7322   0.6753   11.077 10.55399 19.46450 
1 1 1   -5   12   37 o   45.808   10.658   22.100   11.312 -2.089539 21.31545 
1 1 1   -5   12   38 f   66.379   8.6888   47.845   11.037 -13.92678 17.37759 
1 1 1   -5   12   39 o  152.798   3.7753  250.889   11.478 -16.66292 7.550685 
1 1 1   -5   13    1 o  281.001   3.0816  787.285   17.288 18.61966 6.163123 
1 1 1   -5   13    2 o  652.347   9.0203  4265.88  117.687      ?      ? 
1 1 1   -5   13    3 o  278.137   4.3545  774.027   24.223      ?      ? 
1 1 1   -5   13    4 o  317.770   3.3399  1006.86   21.150 12.43405 6.679766 
1 1 1   -5   13    5 o  299.576   3.2295  897.170   19.312 4.104187 6.459023 
1 1 1   -5   13    6 o  183.083   2.6081  335.267   8.6946 0.3620911E-01 5.216189 
1 1 1   -5   13    7 o  299.775   2.9101  891.387   16.154 6.643463 5.820162 
1 1 1   -5   13    8 f  453.654   3.9633  2060.89   33.826 -0.9607849 7.926561 
1 1 1   -5   13    9 o  590.241   5.0542  3473.60   55.843 6.570435 10.10842 
1 1 1   -5   13   10 o  254.535   2.9327  640.274   13.582 7.317886 5.865353 
1 1 1   -5   13   11 o  561.276   4.8143  3142.70   50.741 5.499512 9.628530 
1 1 1   -5   13   12 o  500.111   4.3569  2495.81   40.946 4.292572 8.713703 
1 1 1   -5   13   13 f  126.729   3.5266  160.989   8.9149 3.648422 7.053264 
1 1 1   -5   13   14 o  101.981   4.7524  106.883   9.4060 25.69938 9.504744 
1 1 1   -5   13   15 f  236.474   2.7608  557.599   13.032 -19.80969 5.521639 
1 1 1   -5   13   16 o  314.924   2.8011  992.411   17.639 6.259644 5.602202 
1 1 1   -5   13   17 o  254.016   2.8419  645.483   14.424 -0.8714752 5.683763 
1 1 1   -5   13   18 o  244.896   2.9000  600.422   14.193 4.129120 5.799910 
1 1 1   -5   13   19 o  204.518   3.0701  418.665   12.551 0.8302917 6.140223 
1 1 1   -5   13   20 o  183.421   3.3579  336.805   12.318 0.3604279 6.715873 
1 1 1   -5   13   21 o  134.699   4.2888  181.772   11.550 -1.233521 8.577523 
1 1 1   -5   13   22 o  170.577   3.5400  291.323   12.073 5.619385 7.079913 
1 1 1   -5   13   24 o  202.329   3.1457  410.184   12.729 0.2476654 6.291469 
1 1 1   -5   13   25 o  376.138   3.0391  1417.38   22.860 -3.660278 6.078142 
1 1 1   -5   13   26 o  147.630   3.7061  218.898   10.935 -4.570602 7.412179 
1 1 1   -5   13   27 o  240.824   2.8072  580.755   13.509 5.241684 5.614405 
1 1 1   -5   13   29 o  113.835   5.1324  131.773   11.504 -4.184067 10.26473 
1 1 1   -5   13   30 o  160.937   3.5160  259.833   11.283 3.942413 7.032009 
1 1 1   -5   13   31 f   82.034   6.9740   69.490   11.422 6.606392 13.94791 
1 1 1   -5   13   32 o  107.568   7.6520  117.291   16.462      ?      ? 
1 1 1   -5   13   33 o   33.240   9.7872   3.1175   10.774 6.638672 19.57436 
1 1 1   -5   13   34 o   23.578   8.0151 -21.3624   10.931 1.216898 16.03029 
1 1 1   -5   13   35 o  196.555   3.2697  388.142   12.810 3.794464 6.539468 
1 1 1   -5   13   36 o   51.363   10.270   29.369   11.169 -8.741581 20.54045 
1 1 1   -5   13   37 o   57.180   9.6731   34.500   10.965 18.56958 19.34618 
1 1 1   -5   13   38 o   80.688   7.3992   72.039   10.816 -25.84741 14.79835 
1 1 1   -5   14    1 o  779.764   7.6063  6097.92  118.603 7.619629 15.21266 
1 1 1   -5   14    2 o  397.557   5.6753  1581.86   45.125      ?      ? 
1 1 1   -5   14    3 o  306.893   4.6765  942.374   28.704      ?      ? 
1 1 1   -5   14    4 o  325.866   4.7601  1062.51   31.023      ?      ? 
1 1 1   -5   14    5 o  264.563   3.0403  697.147   15.990 10.15607 6.080569 
1 1 1   -5   14    6 o  213.449   4.3833  455.816   18.712      ?      ? 
1 1 1   -5   14    7 o  230.574   2.7297  534.179   11.631 -2.719498 5.459318 
1 1 1   -5   14    8 o  236.860   2.7895  555.480   12.155 6.079468 5.578943 
1 1 1   -5   14    9 o  243.308   2.7141  582.732   12.306 10.48221 5.428108 
1 1 1   -5   14   10 o  506.546   4.3678  2569.16   41.762 -0.6803284 8.735565 
1 1 1   -5   14   11 o  664.597   5.6549  4412.33   70.591 4.677917 11.30983 
1 1 1   -5   14   12 o  365.050   3.4271  1340.52   23.763 -6.388947 6.854104 
1 1 1   -5   14   13 o  232.232   3.1569  509.470   13.531 32.49283 6.313768 
1 1 1   -5   14   14 f  369.479   4.1315  1365.70   30.530      ?      ? 
1 1 1   -5   14   15 o  260.589   2.6887  678.569   14.004 12.46591 5.377389 
1 1 1   -5   14   16 o   99.524   5.3282   99.237   10.596 0.4081726E-01 10.65633 
1 1 1   -5   14   17 o  351.252   4.1166  1234.50   28.919      ?      ? 
1 1 1   -5   14   18 o  217.068   2.9582  471.354   12.831 -1.801651 5.916372 
1 1 1   -5   14   19 o   36.234   10.074   7.5659   10.693 -2.036953 20.14755 
1 1 1   -5   14   20 o  339.735   2.9095  1155.09   19.767 6.605988 5.819082 
1 1 1   -5   14   21 o   40.607   9.9558   11.931   11.032 18.75659 19.91156 
1 1 1   -5   14   22 o  180.440   3.3973  326.231   12.212 -21.04178 6.794643 
1 1 1   -5   14   23 o  227.608   2.9120  518.328   13.244 5.721039 5.824007 
1 1 1   -5   14   24 o  266.198   2.7866  709.645   14.835 -2.028503 5.573239 
1 1 1   -5   14   25 o  147.549   3.5975  218.518   10.610 4.565048 7.194914 
1 1 1   -5   14   26 o   49.773   9.5433   26.207   9.9815 -13.24924 19.08657 
1 1 1   -5   14   27 o  198.904   3.0758  395.869   12.214 11.39137 6.151562 
1 1 1   -5   14   28 o  218.135   4.2582  476.378   18.577      ?      ? 
1 1 1   -5   14   29 o   83.795   6.3053   70.356   10.496 10.58922 12.61054 
1 1 1   -5   14   30 o  139.708   3.9629  195.711   11.041 14.43942 7.925794 
1 1 1   -5   14   32 o  160.182   3.8114  258.517   12.144 0.7630920 7.622770 
1 1 1   -5   14   33 f  127.366   4.4129  162.371   11.195 10.48211 8.825822 
1 1 1   -5   14   34 o   24.627   8.2566 -17.2347   10.719 4.825668 16.51329 
1 1 1   -5   14   35 o   23.268   7.8610 -21.2151   10.667 -4.167753 15.72210 
1 1 1   -5   14   36 o  179.573   3.4547  325.645   12.307 -2.615189 6.909426 
1 1 1   -5   14   37 o  136.195   4.2392  189.133   11.287 -6.916763 8.478325 
1 1 1   -5   14   38 o   65.956   7.9221   46.656   10.171 -0.7408295 15.84414 
1 1 1   -5   15    1 o  391.346   3.9819  1532.55   31.162 -1.867035 7.963811 
1 1 1   -5   15    2 o  213.919   2.8929  457.978   12.368 9.481628 5.785811 
1 1 1   -5   15    3 o  240.800   4.2358  580.088   20.400      ?      ? 
1 1 1   -5   15    4 o  354.776   3.6757  1259.50   26.073 -0.9040527 7.351350 
1 1 1   -5   15    5 o  426.413   4.2934  1818.23   36.581 7.733765 8.586836 
1 1 1   -5   15    6 o  296.707   4.8057  880.807   28.518      ?      ? 
1 1 1   -5   15    7 o  337.464   3.0995  1137.83   19.706 1.271454 6.198992 
1 1 1   -5   15    8 o  417.067   3.6909  1710.33   28.404 18.39435 7.381732 
1 1 1   -5   15    9 o  184.939   4.6985  342.213   17.379      ?      ? 
1 1 1   -5   15   10 o   77.065   9.7542   59.528   15.034      ?      ? 
1 1 1   -5   15   11 o  344.264   5.3660  1186.03   36.946      ?      ? 
1 1 1   -5   15   12 o  138.622   4.1952  192.129   10.863 0.3646698 8.390379 
1 1 1   -5   15   13 o  553.433   7.8279  3067.40   86.644      ?      ? 
1 1 1   -5   15   14 o  380.040   3.6281  1449.05   26.078 -2.962067 7.256185 
1 1 1   -5   15   15 o  478.922   3.5054  2295.01   33.571 5.309418 7.010818 
1 1 1   -5   15   16 o  229.903   2.8749  528.943   13.213 8.584366 5.749747 
1 1 1   -5   15   17 o  191.430   3.1005  365.087   11.843 -13.63077 6.200997 
1 1 1   -5   15   18 o  407.679   3.1438  1663.55   25.633 0.9932251 6.287554 
1 1 1   -5   15   19 o  286.227   2.7817  819.937   15.923 -0.3576355 5.563444 
1 1 1   -5   15   20 o   90.819   5.9925   83.310   10.811 11.21089 11.98510 
1 1 1   -5   15   21 o  141.951   4.0557  201.899   11.513 -0.6778107 8.111471 
1 1 1   -5   15   22 o  303.513   2.8364  921.762   17.211 9.299957 5.672877 
1 1 1   -5   15   23 o  129.606   4.0596  168.542   10.520 -3.035782 8.119103 
1 1 1   -5   15   24 o  123.592   4.1721  153.330   10.308 5.380829 8.344287 
1 1 1   -5   15   25 o  152.889   3.4359  234.484   10.505 3.005112 6.871742 
1 1 1   -5   15   26 o  169.002   3.2347  286.184   10.917 4.030151 6.469393 
1 1 1   -5   15   27 o  138.115   6.0227  191.255   16.636      ?      ? 
1 1 1   -5   15   28 o   84.870   6.2519   74.103   10.524 -6.024918 12.50384 
1 1 1   -5   15   29 o  101.241   5.0418  103.396   10.198 4.082306 10.08369 
1 1 1   -5   15   32 o  152.886   3.8115  237.086   11.547 -7.328156 7.623078 
1 1 1   -5   15   33 o  211.738   3.0918  452.712   13.015 -11.60332 6.183642 
1 1 1   -5   15   34 o   52.903   9.9489   30.642   10.611 -0.6314583 19.89771 
1 1 1   -5   15   35 o   37.136   9.9043   7.8767   10.587 16.58487 19.80861 
1 1 1   -5   15   36 o   40.619   10.184   13.315   10.757 16.13768 20.36826 
1 1 1   -5   15   37 o   97.969   5.3994   96.264   10.500 9.393524 10.79874 
1 1 1   -5   16    1 o  471.885   4.6993  2227.84   44.334 8.296265 9.398631 
1 1 1   -5   16    2 o  221.152   2.9320  486.311   12.928 21.69414 5.864079 
1 1 1   -5   16    3 f  310.180   4.7983  962.629   29.767      ?      ? 
1 1 1   -5   16    4 f  303.107   3.3206  919.609   20.121 -6.731079 6.641185 
1 1 1   -5   16    5 o  503.695   4.9921  2538.76   50.259 7.462921 9.984102 
1 1 1   -5   16    6 o  552.289   4.7309  3027.11   48.689 12.84912 9.461709 
1 1 1   -5   16    7 o  429.482   3.7791  1822.27   30.071 14.26340 7.558252 
1 1 1   -5   16    8 o  142.676   3.2629  208.624   8.5592 -9.160812 6.525877 
1 1 1   -5   16    9 f  392.443   3.5703  1515.15   25.832 16.68045 7.140675 
1 1 1   -5   16   10 o  591.766   5.1208  3417.65   55.265 35.58594 10.24165 
1 1 1   -5   16   11 o  313.787   3.2097  1004.77   19.221 -22.40350 6.419402 
1 1 1   -5   16   12 o  406.375   6.1237  1653.04   49.771      ?      ? 
1 1 1   -5   16   13 o  226.671   3.2069  515.479   13.713 -1.812241 6.413730 
1 1 1   -5   16   14 o  376.550   3.6139  1432.54   25.945 -12.24127 7.227896 
1 1 1   -5   16   15 o  437.859   4.0201  1907.63   32.960 7.433380 8.040272 
1 1 1   -5   16   16 o  275.290   3.8720  758.321   21.318      ?      ? 
1 1 1   -5   16   17 o  271.194   2.7020  735.302   14.638 -4.775879 5.403917 
1 1 1   -5   16   18 o  108.270   4.8183  117.382   10.426 -5.482788 9.636683 
1 1 1   -5   16   19 o  367.260   2.9661  1350.02   21.781 -2.637756 5.932155 
1 1 1   -5   16   20 o  322.828   2.8655  1043.26   18.500 0.6014709 5.731025 
1 1 1   -5   16   21 o  202.108   3.0622  409.127   12.377 0.1034088 6.124437 
1 1 1   -5   16   22 o  193.604   3.0488  375.517   11.804 -0.9241028 6.097554 
1 1 1   -5   16   23 f  126.967   4.0103  161.662   10.180 4.261192 8.020583 
1 1 1   -5   16   24 o  208.282   2.8342  434.765   11.795 0.9518433E-01 5.668374 
1 1 1   -5   16   25 o  135.123   3.8076  182.768   10.249 4.647919 7.615295 
1 1 1   -5   16   26 o   35.341   8.4652  -2.6724   10.545 -30.65208 16.93030 
1 1 1   -5   16   28 o   33.960   9.4605   6.9529   9.5631 -4.095713 18.92095 
1 1 1   -5   16   29 o   22.750   7.7281 -22.1773   10.289 6.822536 15.45613 
1 1 1   -5   16   30 o  142.025   5.8753  202.457   16.689      ?      ? 
1 1 1   -5   16   31 o  198.090   3.1465  395.261   12.426 -4.383377 6.292913 
1 1 1   -5   16   32 o  218.202   2.9774  476.720   12.938 5.203384 5.954727 
1 1 1   -5   16   33 o   56.675   9.2544   33.271   10.388 22.86368 18.50876 
1 1 1   -5   16   34 o   74.267   7.1846   56.406   10.565 4.034943 14.36921 
1 1 1   -5   16   35 o  143.462   3.8908  207.188   11.086 4.135300 7.781593 
1 1 1   -5   16   36 o   81.010   6.5316   67.436   10.468 -2.201599 13.06317 
1 1 1   -5   16   37 o   44.333   9.4669   21.306   9.5033 -13.24437 18.93382 
1 1 1   -5   17    1 o  165.604   3.0679  276.256   10.089 18.32561 6.135755 
1 1 1   -5   17    2 o  380.050   3.9242  1445.36   29.826 -3.091309 7.848409 
1 1 1   -5   17    3 o  246.372   3.1034  606.292   15.275 8.100815 6.206890 
1 1 1   -5   17    4 o  143.383   3.0142  207.133   8.5656 -9.131180 6.028489 
1 1 1   -5   17    5 o  162.780   3.0025  264.086   9.6849 4.370773 6.005078 
1 1 1   -5   17    6 o  452.059   3.9422  2038.58   33.426 4.034027 7.884334 
1 1 1   -5   17    7 o  357.393   3.2857  1266.37   21.864 8.737762 6.571321 
1 1 1   -5   17    8 o  182.162   3.0029  329.605   10.070 3.283432 6.005817 
1 1 1   -5   17    9 o  621.451   5.3179  3852.40   61.948 6.538330 10.63576 
1 1 1   -5   17   10 o  489.582   4.3402  2314.91   38.304 38.70786 8.680412 
1 1 1   -5   17   11 o   78.606   7.6102   72.752   9.6975 -28.13220 15.22046 
1 1 1   -5   17   12 o  165.466   3.7380  286.734   11.386 -21.50502 7.476007 
1 1 1   -5   17   13 o  559.699   4.8774  3100.62   50.679 17.14331 9.754877 
1 1 1   -5   17   14 o  419.666   3.8565  1773.01   30.723 -7.664185 7.713022 
1 1 1   -5   17   15 o  250.450   3.2345  628.067   15.292 -0.3774872 6.469021 
1 1 1   -5   17   16 o  181.986   3.7289  330.956   12.793 1.030151 7.457862 
1 1 1   -5   17   17 o  140.299   3.5997  196.886   10.091 -3.535629 7.199395 
1 1 1   -5   17   18 o  133.211   3.8970  177.536   10.366 -10.63169 7.793911 
1 1 1   -5   17   19 o  249.452   2.7717  622.782   13.820 -0.8361206 5.543357 
1 1 1   -5   17   20 o  144.924   3.7336  209.918   10.805 -10.55771 7.467104 
1 1 1   -5   17   21 o  228.558   2.7782  523.070   12.698 -3.521439 5.556435 
1 1 1   -5   17   22 o  295.276   2.7098  872.947   16.000 -7.621368 5.419671 
1 1 1   -5   17   23 o  133.943   3.7836  180.470   10.112 -5.777588 7.567171 
1 1 1   -5   17   24 o  132.272   3.7909  175.501   10.013 2.442856 7.581883 
1 1 1   -5   17   25 o   23.215   11.013 -16.2365   13.794      ?      ? 
1 1 1   -5   17   26 o  148.921   4.0430  217.813   11.475 63.37952 8.085907 
1 1 1   -5   17   27 o  103.278   4.7977  107.134   9.8862 7.344254 9.595337 
1 1 1   -5   17   28 o   46.539   9.7488   22.870   9.7068 3.095078 19.49766 
1 1 1   -5   17   30 o  154.909   3.6860  242.917   11.323 -6.053024 7.372094 
1 1 1   -5   17   31 o   39.918   9.9466   13.529   10.126 13.19404 19.89329 
1 1 1   -5   17   32 o   50.944   9.9120   27.439   10.645 16.88464 19.82398 
1 1 1   -5   17   33 o  127.697   4.4132  164.658   11.177 2.018677 8.826412 
1 1 1   -5   17   34 o  209.312   3.1115  441.235   12.943 -1.174850 6.222956 
1 1 1   -5   17   35 o   69.485   8.2476   54.487   10.546 -24.65962 16.49525 
1 1 1   -5   17   36 o  130.096   4.0858  170.744   10.556 -0.1248779 8.171528 
1 1 1   -5   18    1 o  462.675   4.6625  1998.88   40.928 -95.41248 9.325054 
1 1 1   -5   18    2 o  372.498   3.9073  1250.38   27.005 -97.85767 7.814580 
1 1 1   -5   18    3 f  384.832   3.9884  1471.91   30.556 26.77356 7.976748 
1 1 1   -5   18    4 o  462.662   4.6287  2111.08   42.332 42.96265 9.257393 
1 1 1   -5   18    5 o  302.498   2.9499  922.520   16.919 -7.511169 5.899715 
1 1 1   -5   18    6 o  531.669   4.5898  2816.53   45.660 6.740112 9.179566 
1 1 1   -5   18    7 o  324.375   5.1084  1052.84   33.141      ?      ? 
1 1 1   -5   18    8 f  745.084   6.3860  5416.65   86.562 45.88959 12.77192 
1 1 1   -5   18    9 o  506.236   4.4131  2552.82   41.761 7.072723 8.826160 
1 1 1   -5   18   10 f  135.206   4.2700  203.064   10.037 -34.63730 8.540015 
1 1 1   -5   18   11 o  380.099   3.5616  1422.86   25.022 15.50259 7.123280 
1 1 1   -5   18   12 o  201.219   3.3541  409.755   12.625 -6.553131 6.708270 
1 1 1   -5   18   13 o  177.000   3.6922  322.665   12.111 -14.34387 7.384322 
1 1 1   -5   18   14 o  572.836   4.9687  3278.61   53.396 4.614929 9.937387 
1 1 1   -5   18   15 o  371.092   3.5678  1386.82   25.065 -6.887177 7.135602 
1 1 1   -5   18   16 o  253.753   3.2758  643.318   15.569 1.433151 6.551590 
1 1 1   -5   18   17 o  322.034   3.4113  1036.66   20.620 1.531982 6.822622 
1 1 1   -5   18   18 o  277.926   3.3888  779.019   17.705 -5.994720 6.777634 
1 1 1   -5   18   19 o  167.873   3.2473  282.002   10.895 -5.121735 6.494606 
1 1 1   -5   18   20 o  131.755   3.7543  174.081   9.8863 0.1520233 7.508680 
1 1 1   -5   18   21 o   80.314   6.0247   65.843   9.5169 15.98991 12.04930 
1 1 1   -5   18   22 o  108.784   4.4782  119.164   9.7253 -5.868752 8.956478 
1 1 1   -5   18   23 o  122.806   3.9284  151.274   9.6402 4.243538 7.856709 
1 1 1   -5   18   24 o  130.619   5.4044  171.644   14.118      ?      ? 
1 1 1   -5   18   26 o  157.923   4.7876  250.793   15.121      ?      ? 
1 1 1   -5   18   27 o  129.585   3.8946  169.678   10.050 -8.543823 7.789157 
1 1 1   -5   18   28 f   22.100   7.4660 -27.3795   10.043 -10.47760 14.93210 
1 1 1   -5   18   30 o   87.781   5.6894   79.550   9.8001 -6.906937 11.37876 
1 1 1   -5   18   31 o   58.988   9.0292   37.685   10.290 -5.914104 18.05833 
1 1 1   -5   18   32 o  185.766   3.2183  347.803   11.906 -5.050049 6.436573 
1 1 1   -5   18   33 o  100.196   5.3491  101.490   10.628 4.615753 10.69811 
1 1 1   -5   18   34 f   61.963   8.9011   42.158   10.595 -10.35345 17.80222 
1 1 1   -5   18   35 o   58.979   9.0237   38.044   10.405 -11.77294 18.04744 
1 1 1   -5   18   36 o   76.890   6.3065   60.250   9.5493 12.21792 12.61302 
1 1 1   -5   19    1 o  451.614   4.5723  1973.34   40.247 -64.61945 9.144617 
1 1 1   -5   19    2 o  388.622   4.0339  1508.44   31.317 15.66522 8.067883 
1 1 1   -5   19    3 o  386.998   4.0428  1419.71   30.161 74.81601 8.085573 
1 1 1   -5   19    4 o  515.418   4.4899  2589.50   42.132 31.85278 8.979811 
1 1 1   -5   19    5 f  256.251   2.7931  644.868   13.211 11.96986 5.586165 
1 1 1   -5   19    6 o  616.271   5.2669  3795.39   60.947 4.024841 10.53377 
1 1 1   -5   19    7 f  555.188   4.7942  3045.98   49.239 18.95557 9.588315 
1 1 1   -5   19    8 o  305.893   3.0668  947.464   17.687 -11.30295 6.133559 
1 1 1   -5   19    9 o  257.017   2.9692  621.330   13.554 32.67664 5.938350 
1 1 1   -5   19   10 o  242.450   3.0571  597.793   13.727 -10.79083 6.114123 
1 1 1   -5   19   11 o  246.569   3.0738  612.282   14.097 -4.363190 6.147578 
1 1 1   -5   19   12 o  375.192   3.5710  1407.41   25.010 1.219452 7.141904 
1 1 1   -5   19   13 o  334.454   3.3799  1116.29   21.110 2.807159 6.759761 
1 1 1   -5   19   14 o  287.025   3.2070  827.610   17.283 -3.028412 6.414044 
1 1 1   -5   19   15 o  378.750   3.6125  1438.48   25.733 -1.562653 7.224926 
1 1 1   -5   19   16 o  168.882   3.9300  299.226   12.270 -23.25697 7.859905 
1 1 1   -5   19   17 o  209.513   5.7549  439.906   24.115      ?      ? 
1 1 1   -5   19   18 o   22.663   7.8949 -30.5902   11.308 5.337612 15.78988 
1 1 1   -5   19   19 o  198.619   3.6056  393.117   13.164 2.816376 7.211245 
1 1 1   -5   19   20 f   73.936   6.1577   55.101   9.0880 -6.201424 12.31538 
1 1 1   -5   19   21 o  172.930   2.9582  299.747   10.225 -8.116623 5.916347 
1 1 1   -5   19   22 o  144.697   3.3933  210.335   9.8040 -9.154388 6.786595 
1 1 1   -5   19   23 o  124.041   3.9691  154.796   9.8453 2.927841 7.938223 
1 1 1   -5   19   25 o  220.938   2.8381  490.748   12.516 -3.356903 5.676291 
1 1 1   -5   19   26 o  134.642   4.9323  182.216   13.282      ?      ? 
1 1 1   -5   19   27 o  101.946   4.7049  105.778   9.5027 18.80087 9.409746 
1 1 1   -5   19   29 o  207.637   2.8050  432.657   11.613 2.834335 5.610067 
1 1 1   -5   19   30 o  110.001   4.5640  121.349   9.9958 5.977005 9.127922 
1 1 1   -5   19   31 o   19.273   6.7509 -30.8975   9.7234 -0.3476906 13.50171 
1 1 1   -5   19   32 o   90.270   5.7022   84.038   10.118 -6.793381 11.40442 
1 1 1   -5   19   33 o  124.632   4.3316  157.682   10.690 -1.854118 8.663183 
1 1 1   -5   19   34 o   45.767   10.021   22.224   10.002 3.533566 20.04218 
1 1 1   -5   19   35 o   52.029   9.7631   30.680   10.421 -11.46365 19.52628 
1 1 1   -5   20    1 o  177.273   3.2067  314.585   11.213 0.3725739 6.413490 
1 1 1   -5   20    2 o  232.625   3.1133  540.408   14.434 -5.379349 6.226569 
1 1 1   -5   20    3 o  166.359   3.3955  275.308   11.263 -14.15816 6.791099 
1 1 1   -5   20    4 o  353.479   3.2521  1256.58   21.719 -5.517639 6.504226 
1 1 1   -5   20    5 o  409.995   3.6527  1663.65   27.819 12.03958 7.305442 
1 1 1   -5   20    6 o  292.763   4.8808  857.758   28.578      ?      ? 
1 1 1   -5   20    7 o  314.338   3.1073  983.231   18.070 4.510712 6.214509 
1 1 1   -5   20    8 o  116.483   7.4781  135.973   17.421      ?      ? 
1 1 1   -5   20    9 f  602.771   5.1866  3613.51   58.220 12.08173 10.37316 
1 1 1   -5   20   10 o  304.371   3.1397  938.449   17.939 -11.03680 6.279314 
1 1 1   -5   20   11 o  517.972   4.5239  2681.92   43.893 3.075317 9.047734 
1 1 1   -5   20   12 o  183.305   3.5717  337.657   11.600 -1.528427 7.143366 
1 1 1   -5   20   13 o  218.271   3.2662  480.014   13.136 -3.674118 6.532336 
1 1 1   -5   20   14 o  528.897   4.6366  2786.83   45.760 8.811768 9.273295 
1 1 1   -5   20   15 o  114.320   5.4956  140.581   11.112 -19.43009 10.99127 
1 1 1   -5   20   16 o  189.745   6.0488  360.993   22.955      ?      ? 
1 1 1   -5   20   17 o  231.355   3.3390  537.314   14.171 -1.158096 6.677950 
1 1 1   -5   20   18 o  317.987   3.3995  1007.51   19.968 4.517059 6.799081 
1 1 1   -5   20   19 o  225.766   3.3539  513.337   13.929 -2.892624 6.707874 
1 1 1   -5   20   20 o  133.867   4.5617  184.411   11.025 -7.831390 9.123447 
1 1 1   -5   20   21 o  175.908   2.9039  310.292   10.211 -7.013885 5.807788 
1 1 1   -5   20   22 o  129.420   3.7998  168.750   9.8110 10.53927 7.599683 
1 1 1   -5   20   24 o   16.411   8.2967 -44.4884   13.278      ?      ? 
1 1 1   -5   20   25 o  135.035   3.4982  183.607   9.4208 -3.628738 6.996434 
1 1 1   -5   20   26 o  131.663   3.5910  175.632   9.4439 -7.043991 7.181931 
1 1 1   -5   20   27 o  170.149   3.0605  289.563   10.397 14.09245 6.120977 
1 1 1   -5   20   28 o  194.329   2.8220  379.988   10.932 -4.723358 5.644031 
1 1 1   -5   20   29 o   37.651   14.092   11.635   14.302      ?      ? 
1 1 1   -5   20   30 o   72.736   6.6029   54.723   9.5280 -1.657394 13.20585 
1 1 1   -5   20   31 o  182.475   3.0661  336.260   11.099 -6.424423 6.132173 
1 1 1   -5   20   32 o   70.874   7.0645   51.638   9.9020 2.374046 14.12909 
1 1 1   -5   20   33 o   64.531   8.2026   46.113   9.9830 -18.72374 16.40520 
1 1 1   -5   20   34 o  115.962   4.3635  136.156   10.044 -2.909752 8.726929 
1 1 1   -5   21    1 o  495.874   4.9931  2463.06   49.516 1.643005 9.986212 
1 1 1   -5   21    2 o  294.085   3.3865  862.774   19.853 -11.01428 6.773027 
1 1 1   -5   21    3 f  461.391   4.6710  2131.67   43.095 -5.865784 9.342068 
1 1 1   -5   21    4 o  405.767   4.2045  1648.67   34.120 1.810242 8.408902 
1 1 1   -5   21    5 o  618.922   4.9776  3859.88   53.726 -7.772095 9.955128 
1 1 1   -5   21    6 o  540.721   4.6748  2899.24   46.949 14.36426 9.349692 
1 1 1   -5   21    7 o  274.344   2.9140  761.256   14.964 -8.560883 5.828038 
1 1 1   -5   21    8 o  325.046   3.1685  1049.03   19.016 6.628632 6.337069 
1 1 1   -5   21    9 o  185.824   3.1784  355.204   10.534 -11.74188 6.356810 
1 1 1   -5   21   10 o  342.624   3.3272  1166.56   20.946 6.252838 6.654459 
1 1 1   -5   21   11 o  410.748   3.7541  1682.26   28.622 4.709106 7.508162 
1 1 1   -5   21   12 o  837.497   11.638  7071.93  194.938      ?      ? 
1 1 1   -5   21   13 o  427.256   3.8989  1842.61   31.498 -10.29443 7.797789 
1 1 1   -5   21   14 f  205.600   3.3676  395.508   12.497 30.43213 6.735129 
1 1 1   -5   21   15 o  200.010   3.5100  413.273   12.755 -15.57138 7.019973 
1 1 1   -5   21   16 o  131.756   4.5312  178.318   10.768 -7.455750 9.062498 
1 1 1   -5   21   17 o  207.488   3.3048  434.797   12.600 -4.315475 6.609615 
1 1 1   -5   21   18 o   36.658   9.9309   9.5887   10.317 -5.657227 19.86179 
1 1 1   -5   21   19 f  274.861   3.2522  759.229   16.490 -1.716125 6.504328 
1 1 1   -5   21   20 o   41.009   10.528   13.333   10.323 9.984421 21.05663 
1 1 1   -5   21   21 o  269.657   3.2853  716.271   16.194 12.29248 6.570520 
1 1 1   -5   21   22 o  180.603   6.4917  326.979   23.448      ?      ? 
1 1 1   -5   21   23 o  132.880   3.7210  178.104   9.8747 -2.726257 7.442068 
1 1 1   -5   21   24 o   66.710   6.5008   45.648   8.5983 -5.688709 13.00157 
1 1 1   -5   21   25 o  122.742   3.7217  152.856   9.1124 -4.961143 7.443392 
1 1 1   -5   21   27 o  108.186   4.2029  118.257   9.0593 -0.7653122 8.405733 
1 1 1   -5   21   28 o   99.809   4.7187  101.078   9.2639 -2.082436 9.437346 
1 1 1   -5   21   29 o   92.174   5.2037   86.211   9.4738 1.347374 10.40738 
1 1 1   -5   21   30 o  167.509   3.1698  281.050   10.454 3.817062 6.339577 
1 1 1   -5   21   31 o   66.282   7.9359   49.130   9.6590 -17.65155 15.87184 
1 1 1   -5   21   32 o  132.228   3.9388  176.070   10.250 1.680130 7.877571 
1 1 1   -5   21   33 o   68.731   7.6425   49.998   10.049 -7.633438 15.28504 
1 1 1   -5   21   34 o   51.642   9.3816   30.447   9.7603 -3.200420 18.76312 
1 1 1   -5   22    1 o  456.219   4.6464  2084.42   42.383 -7.482605 9.292832 
1 1 1   -5   22    2 o  268.755   3.2319  723.231   17.330 1.484131 6.463741 
1 1 1   -5   22    3 o  119.007   4.2651  141.635   10.099 -1.781502 8.530114 
1 1 1   -5   22    4 o  104.420   4.9335  109.902   10.238 11.95373 9.866906 
1 1 1   -5   22    5 o  277.565   2.7084  773.399   12.837 -1.787659 5.416885 
1 1 1   -5   22    6 o  207.350   2.8286  438.973   10.641 -10.24936 5.657279 
1 1 1   -5   22    7 o  174.937   3.1219  314.751   9.5894 -10.32632 6.243730 
1 1 1   -5   22    8 o  269.528   2.9329  723.434   14.408 3.234985 5.865742 
1 1 1   -5   22    9 o  174.703   3.1415  298.814   9.7302 8.158920 6.283007 
1 1 1   -5   22   10 o  147.112   3.6759  211.653   9.4914 7.068344 7.351774 
1 1 1   -5   22   11 o  205.198   3.2404  427.644   11.802 -6.584930 6.480792 
1 1 1   -5   22   12 o  326.619   3.3210  1046.90   19.681 15.17880 6.642030 
1 1 1   -5   22   13 o  119.027   5.1161  155.836   10.371 -23.79822 10.23210 
1 1 1   -5   22   14 f  308.656   3.2334  954.161   18.494 0.2186279 6.466844 
1 1 1   -5   22   15 o  154.181   3.9830  243.682   10.770 -7.419067 7.966012 
1 1 1   -5   22   16 o  159.975   3.7961  254.298   10.835 3.110580 7.592138 
1 1 1   -5   22   17 o  191.102   3.5160  377.883   11.925 -13.77483 7.032031 
1 1 1   -5   22   18 o  344.464   3.4409  1192.44   22.027 -1.824005 6.881794 
1 1 1   -5   22   19 o  182.788   3.5872  345.362   11.886 -13.64694 7.174406 
1 1 1   -5   22   20 o   64.035   15.675   44.475   19.941      ?      ? 
1 1 1   -5   22   21 o  248.619   5.5678  619.310   27.685      ?      ? 
1 1 1   -5   22   22 o  197.377   3.5693  405.219   12.593 -15.92732 7.138613 
1 1 1   -5   22   23 o  281.537   3.2192  797.318   16.679 -1.589600 6.438315 
1 1 1   -5   22   24 o  140.990   3.2572  200.162   9.1619 5.608475 6.514352 
1 1 1   -5   22   26 o  206.590   2.6297  428.830   10.855 -8.144928 5.259431 
1 1 1   -5   22   27 o   40.994   9.0478   17.601   8.6695 -11.91669 18.09570 
1 1 1   -5   22   28 o   67.739   7.4802   51.407   9.1704 -21.36147 14.96041 
1 1 1   -5   22   29 o   32.295   8.9350   1.2485   9.1122 18.27146 17.86995 
1 1 1   -5   22   30 o   84.830   5.6424   72.739   9.4016 3.512154 11.28475 
1 1 1   -5   22   31 o   45.881   9.6063   21.478   9.5189 14.13130 19.21265 
1 1 1   -5   22   32 f   42.502   9.8496   18.565   9.5241 0.5926857 19.69912 
1 1 1   -5   22   33 o   36.078   9.6127   10.842   9.5004 -2.660397 19.22543 
1 1 1   -5   23    1 f  276.091   3.2359  760.690   17.705 -6.301361 6.471750 
1 1 1   -5   23    2 o  324.154   3.5417  1052.31   22.958 6.343048 7.083318 
1 1 1   -5   23    3 f  322.970   3.5551  1044.61   22.962 1.063263 7.110234 
1 1 1   -5   23    4 o  363.121   3.8373  1320.80   27.868 0.3232422 7.674553 
1 1 1   -5   23    5 o  383.361   3.2844  1444.76   21.199 12.60440 6.568884 
1 1 1   -5   23    6 o  226.114   2.6697  507.639   9.9377 3.058960 5.339319 
1 1 1   -5   23    7 o   93.855   5.0038   83.601   8.6065 12.15187 10.00765 
1 1 1   -5   23    8 o  219.254   2.9397  479.559   11.559 1.618195 5.879335 
1 1 1   -5   23    9 o  424.335   3.8258  1803.51   30.330 -0.3024292E-01 7.651655 
1 1 1   -5   23   10 f  357.828   3.4339  1248.17   22.128 21.45651 6.867707 
1 1 1   -5   23   11 o  112.542   5.1273  144.427   9.2370 -27.58717 10.25456 
1 1 1   -5   23   12 o  148.332   3.8502  222.387   9.7763 -2.460678 7.700420 
1 1 1   -5   23   13 o  132.906   4.3998  189.858   9.7264 -17.94565 8.799509 
1 1 1   -5   23   14 o  179.630   3.3974  319.417   10.777 4.550308 6.794778 
1 1 1   -5   23   15 o  185.685   3.3851  352.378   11.134 -8.072937 6.770175 
1 1 1   -5   23   16 o  105.067   5.9010  113.465   12.070 -9.802635 11.80204 
1 1 1   -5   23   17 o  220.628   3.2061  482.337   12.601 5.535202 6.412161 
1 1 1   -5   23   18 o   91.238   6.5755   93.751   9.8040 -19.51806 13.15106 
1 1 1   -5   23   20 o  136.720   4.4153  174.003   10.989 23.12589 8.830566 
1 1 1   -5   23   21 o  331.322   5.5995  1104.78   37.105      ?      ? 
1 1 1   -5   23   22 o  151.305   3.9123  227.400   10.493 3.785187 7.824695 
1 1 1   -5   23   23 o  125.331   7.9300  161.349   19.878      ?      ? 
1 1 1   -5   23   24 o  195.050   5.7000  381.783   22.236      ?      ? 
1 1 1   -5   23   25 o   47.863   8.3274   29.184   9.6516 -32.86671 16.65479 
1 1 1   -5   23   26 o   49.096   8.8731   25.693   8.6334 3.916203 17.74625 
1 1 1   -5   23   27 o   27.406   8.4540  -2.0231   8.8507 -2.449814 16.90800 
1 1 1   -5   23   28 o   62.556   7.4587   40.136   9.0648 9.346249 14.91749 
1 1 1   -5   23   29 o   76.293   6.2194   57.825   9.3467 14.05609 12.43881 
1 1 1   -5   23   30 o   52.305   9.2248   29.788   9.4458 1.235806 18.44951 
1 1 1   -5   23   31 o   80.402   6.0862   66.675   9.4795 -3.285637 12.17235 
1 1 1   -5   23   32 f   49.532   9.2078   27.444   9.2841 -9.597988 18.41552 
1 1 1   -5   24    1 o  377.954   4.0333  1430.83   30.482 -7.311035 8.066592 
1 1 1   -5   24    2 o  371.835   3.9171  1385.25   29.128 0.7275696 7.834153 
1 1 1   -5   24    3 o  289.647   3.3335  840.124   19.303 0.3869324 6.666988 
1 1 1   -5   24    4 o  480.301   4.1878  2324.08   38.176 -8.507935 8.375665 
1 1 1   -5   24    5 o  315.018   2.8711  998.489   15.541 -3.343781 5.742178 
1 1 1   -5   24    6 o  255.799   2.6962  637.515   11.281 11.64671 5.392359 
1 1 1   -5   24    7 o  247.789   2.6982  603.300   11.010 7.890350 5.396412 
1 1 1   -5   24    8 o  265.331   2.9085  709.400   14.169 -4.333405 5.816908 
1 1 1   -5   24    9 o  139.282   3.8583  208.998   8.8865 -19.33858 7.716561 
1 1 1   -5   24   10 o  358.671   3.3760  1292.86   22.480 -2.949097 6.751962 
1 1 1   -5   24   11 o  187.560   3.1296  349.010   10.157 3.465454 6.259102 
1 1 1   -5   24   12 o  275.630   3.0459  768.429   15.319 -6.669525 6.091813 
1 1 1   -5   24   13 o  266.035   3.0618  703.965   14.553 4.190948 6.123510 
1 1 1   -5   24   14 o   99.225   5.4204  103.513   8.9691 -8.385056 10.84089 
1 1 1   -5   24   15 o  111.299   4.8501  129.391   9.1013 -8.358521 9.700178 
1 1 1   -5   24   16 o   90.751   5.8867   85.713   9.0357 -5.691940 11.77330 
1 1 1   -5   24   18 o  351.288   5.7126  1236.39   40.135      ?      ? 
1 1 1   -5   24   19 o  237.984   3.2548  575.276   14.023 -6.461670 6.509667 
1 1 1   -5   24   20 o  218.757   3.2382  477.041   12.686 3.135269 6.476446 
1 1 1   -5   24   21 o  113.090   5.1582  140.279   9.5341 -18.25235 10.31632 
1 1 1   -5   24   22 o  121.407   5.0976  171.171   10.078 -35.85374 10.19519 
1 1 1   -5   24   23 o  121.246   4.6986  122.657   10.307 52.48483 9.397163 
1 1 1   -5   24   24 o  133.990   4.3809  195.003   10.113 -21.99014 8.761764 
1 1 1   -5   24   25 o  140.242   4.2189  201.365   10.143 -4.746994 8.437726 
1 1 1   -5   24   26 f   81.837   6.9315   68.785   9.8300 -1.019096 13.86305 
1 1 1   -5   24   27 o   32.266   9.5548   3.8107   9.8173 0.4040604 19.10963 
1 1 1   -5   24   28 o  189.378   2.8460  359.520   10.665 3.022049 5.692091 
1 1 1   -5   24   29 o  147.176   3.4220  217.857   9.8489 1.421585 6.843983 
1 1 1   -5   24   30 o   88.087   5.4095   77.574   9.3214 7.356453 10.81902 
1 1 1   -5   24   31 o   66.294   7.0045   43.520   9.1130 12.92825 14.00903 
1 1 1   -5   25    1 o  300.995   4.9677  907.795   29.905      ?      ? 
1 1 1   -5   25    2 o  215.222   3.0435  463.935   12.877 0.8390808E-01 6.087071 
1 1 1   -5   25    3 f  118.025   4.1603  140.170   9.7073 2.644463 8.320672 
1 1 1   -5   25    4 o  305.553   2.9699  937.043   17.074 -1.974701 5.939858 
1 1 1   -5   25    5 o  144.041   3.2592  215.470   8.5110 -13.14406 6.518356 
1 1 1   -5   25    6 o  309.811   2.8283  964.944   14.950 -2.472198 5.656673 
1 1 1   -5   25    7 o  321.472   2.9273  1022.97   15.723 6.581543 5.854517 
1 1 1   -5   25    8 o  338.907   3.0294  1145.77   17.354 2.345520 6.058832 
1 1 1   -5   25    9 o  235.075   2.8191  555.862   11.902 -2.445023 5.638200 
1 1 1   -5   25   10 f  322.500   3.1367  1035.39   18.497 5.038177 6.273466 
1 1 1   -5   25   11 o  150.437   3.4068  227.932   8.6648 -1.436905 6.813670 
1 1 1   -5   25   12 o  191.642   3.0762  377.186   10.265 -9.880066 6.152434 
1 1 1   -5   25   13 o  204.832   3.0361  419.017   10.868 1.412888 6.072234 
1 1 1   -5   25   14 f  175.475   3.2918  304.956   10.066 4.323303 6.583520 
1 1 1   -5   25   15 f   30.294   8.7971   2.5685   9.0550 -6.809410 17.59423 
1 1 1   -5   25   16 o  399.429   6.1857  1599.59   49.415      ?      ? 
1 1 1   -5   25   17 o  136.000   7.0420  185.991   19.154      ?      ? 
1 1 1   -5   25   18 o  133.004   4.1658  182.375   9.8520 -7.425446 8.331512 
1 1 1   -5   25   19 o  120.523   4.5989  141.845   9.6343 7.280708 9.197758 
1 1 1   -5   25   20 o   32.164   9.3202   5.3975   9.2713 -2.314728 18.64041 
1 1 1   -5   25   21 o  135.022   4.3138  196.372   9.9432 -20.32188 8.627677 
1 1 1   -5   25   22 f   72.716   8.1365   65.166   9.3156 -27.50964 16.27297 
1 1 1   -5   25   23 o  169.087   3.6191  286.867   10.488 0.7830048 7.238222 
1 1 1   -5   25   24 f  169.130   3.6992  286.531   10.590 0.8466034 7.398492 
1 1 1   -5   25   25 o   21.004   7.3878 -26.5320   9.5428 7.536238 14.77552 
1 1 1   -5   25   26 o  104.201   5.4859  110.201   10.092 -0.3593140 10.97180 
1 1 1   -5   25   27 o   78.268   7.2278   59.921   10.046 7.828972 14.45563 
1 1 1   -5   25   28 o  127.035   4.8204  169.799   10.387 -9.939720 9.640857 
1 1 1   -5   25   29 o   42.669   9.3118   20.971   9.6277 -17.28146 18.62360 
1 1 1   -5   25   30 o  112.029   4.3529  124.632   9.6162 10.76953 8.705820 
1 1 1   -5   26    1 o  347.194   5.2785  1208.64   36.653      ?      ? 
1 1 1   -5   26    2 o  145.621   3.1642  215.386   8.4897 5.371140 6.328429 
1 1 1   -5   26    3 o  210.296   2.9844  444.354   12.442 5.154251 5.968825 
1 1 1   -5   26    4 o  398.743   3.5576  1596.86   26.728 -2.463470 7.115153 
1 1 1   -5   26    5 f  127.590   3.3526  162.987   7.7562 0.2356644 6.705264 
1 1 1   -5   26    6 o  172.417   2.6798  298.701   7.2437 -1.057159 5.359510 
1 1 1   -5   26    7 o  272.993   2.6801  742.013   12.113 2.672729 5.360215 
1 1 1   -5   26    8 o  151.758   3.0415  226.536   6.9595 4.083481 6.082930 
1 1 1   -5   26    9 o   68.167   6.8335   54.370   6.1157 -14.83486 13.66703 
1 1 1   -5   26   10 o  268.931   2.8766  715.574   13.836 7.475159 5.753142 
1 1 1   -5   26   11 o  229.020   2.8790  532.264   11.692 -6.443283 5.758091 
1 1 1   -5   26   12 o  283.257   3.0324  802.499   15.467 1.498840 6.064835 
1 1 1   -5   26   13 o  202.707   3.1993  426.518   11.274 -14.65257 6.398643 
1 1 1   -5   26   14 o  254.054   3.1098  643.616   14.031 2.116577 6.219536 
1 1 1   -5   26   15 o  170.088   3.5471  283.480   10.408 7.284058 7.094178 
1 1 1   -5   26   16 o   47.289   9.3198   26.132   8.9201 -12.33681 18.63960 
1 1 1   -5   26   17 o  210.289   5.4567  444.888   22.950      ?      ? 
1 1 1   -5   26   18 o  238.181   3.1573  558.646   13.238 9.248138 6.314569 
1 1 1   -5   26   19 o  129.889   4.4930  173.825   9.9716 -5.519463 8.985982 
1 1 1   -5   26   20 o  200.146   3.3234  321.029   11.260 76.65706 6.646855 
1 1 1   -5   26   21 o  146.818   4.0553  220.360   10.321 -4.512009 8.110677 
1 1 1   -5   26   22 o  129.185   4.5256  168.101   9.7477 0.3414764 9.051124 
1 1 1   -5   26   23 o  139.768   4.3105  194.827   10.024 1.952332 8.620938 
1 1 1   -5   26   24 o   39.235   10.007   15.043   9.5853 -3.471081 20.01410 
1 1 1   -5   26   25 o  197.532   3.5110  392.885   12.175 -0.4726563 7.022097 
1 1 1   -5   26   26 o  117.253   5.2657  141.061   10.496 -3.030746 10.53140 
1 1 1   -5   26   27 o  137.531   4.5118  196.344   10.509 -7.396530 9.023559 
1 1 1   -5   26   28 o   57.536   9.3989   39.730   9.5426 -15.94138 18.79786 
1 1 1   -5   26   29 o   82.071   6.7732   64.967   9.5756 8.578522 13.54648 
1 1 1   -5   27    1 o  172.839   4.6767  299.551   16.166      ?      ? 
1 1 1   -5   27    2 o  315.970   3.7733  999.362   23.535 4.919861 7.546566 
1 1 1   -5   27    3 o  187.810   2.8671  353.512   10.536 0.1349335 5.734239 
1 1 1   -5   27    4 f  228.542   2.5037  518.730   10.822 5.832108 5.007327 
1 1 1   -5   27    5 o  184.023   2.6121  338.998   8.8684 0.3036652 5.224106 
1 1 1   -5   27    6 o  135.327   3.1566  191.249   6.9792 -10.07982 6.313222 
1 1 1   -5   27    7 o  160.073   2.9329  269.219   7.8296 -14.50249 5.865889 
1 1 1   -5   27    8 o  196.683   2.6228  372.856   7.9269 11.44901 5.245547 
1 1 1   -5   27    9 o  351.737   3.0634  1255.02   18.603 -8.471252 6.126758 
1 1 1   -5   27   10 o  169.592   3.2352  322.637   9.3366 -42.96999 6.470498 
1 1 1   -5   27   11 o   88.486   7.9944  144.157   8.4412 -93.88754 15.98886 
1 1 1   -5   27   12 o  291.059   5.3070  848.544   30.893      ?      ? 
1 1 1   -5   27   13 o  193.975   3.2771  369.237   10.841 7.669205 6.554263 
1 1 1   -5   27   14 o  190.033   3.1994  375.528   10.578 -14.28435 6.398812 
1 1 1   -5   27   15 o  130.165   4.0408  174.660   8.9473 -6.542908 8.081659 
1 1 1   -5   27   16 o  278.905   5.1442  782.150   28.695      ?      ? 
1 1 1   -5   27   17 o   23.706   7.9450 -12.1703   9.3660 1.140289 15.89005 
1 1 1   -5   27   18 o  231.148   3.2835  488.772   12.799 36.69830 6.567098 
1 1 1   -5   27   19 o  122.449   4.9495  159.932   9.9035 -12.68992 9.898904 
1 1 1   -5   27   20 o   81.359   8.0450   82.871   9.2187 -28.18933 16.08997 
1 1 1   -5   27   21 o   19.804   6.9095 -25.0366   9.1737 0.9331722 13.81906 
1 1 1   -5   27   22 o  203.066   3.4411  405.956   11.848 7.383148 6.882185 
1 1 1   -5   27   23 o   67.061   8.4097   42.431   9.4896 12.39417 16.81937 
1 1 1   -5   27   24 o  111.937   5.5307  133.242   10.061 -9.908211 11.06148 
1 1 1   -5   27   25 o  123.826   5.2118  164.432   10.439 -13.05815 10.42355 
1 1 1   -5   27   26 o  141.849   4.4970  210.372   10.802 -9.861526 8.994061 
1 1 1   -5   27   27 o   80.873   7.7291   73.246   9.8471 -13.13800 15.45830 
1 1 1   -5   27   28 o   51.883   10.353   20.017   9.4898 30.58193 20.70586 
1 1 1   -5   28    1 o  143.160   4.9609  205.701   14.204      ?      ? 
1 1 1   -5   28    2 o  171.000   4.5049  293.308   15.407      ?      ? 
1 1 1   -5   28    3 o  146.627   3.3099  215.361   9.7063      ?      ? 
1 1 1   -5   28    4 o  157.983   2.4866  244.529   7.5169 11.58395 4.973280 
1 1 1   -5   28    5 o  260.967   2.6909  667.386   12.881 14.35831 5.381719 
1 1 1   -5   28    6 o  136.495   3.2590  191.145   7.9325 -6.873932 6.518008 
1 1 1   -5   28    7 o  226.324   2.7449  511.183   11.344 2.197388 5.489719 
1 1 1   -5   28    8 o  203.262   3.0829  413.458   12.533      ?      ? 
1 1 1   -5   28    9 o  296.657   3.0016  844.897   15.879 26.18402 6.003125 
1 1 1   -5   28   10 o   90.375   4.7733   65.469   7.6418 42.79424 9.546580 
1 1 1   -5   28   11 o   62.074   7.1687   71.243   6.2983 -59.21467 14.33749 
1 1 1   -5   28   12 o  219.599   2.8418  470.621   10.813 11.49959 5.683599 
1 1 1   -5   28   13 o  108.004   4.6664  115.255   8.1180 3.252541 9.332791 
1 1 1   -5   28   14 o  236.764   3.0058  567.766   12.689 -5.116257 6.011564 
1 1 1   -5   28   15 o  105.237   4.9615  114.047   8.9783 -2.748505 9.923098 
1 1 1   -5   28   16 f  165.828   3.6462  293.627   10.495 -23.24001 7.292321 
1 1 1   -5   28   17 o  107.090   5.5856  122.013   9.6594 -10.32110 11.17115 
1 1 1   -5   28   18 o  168.984   3.7856  296.241   10.630 -9.805725 7.571284 
1 1 1   -5   28   19 o  115.771   5.2095  141.567   9.4217 -8.676003 10.41892 
1 1 1   -5   28   20 o  116.315   9.1242  137.524   21.226      ?      ? 
1 1 1   -5   28   21 o  109.629   5.2196  117.265   9.4077 7.209648 10.43917 
1 1 1   -5   28   22 o  101.866   5.6922  107.096   9.3795 -3.526146 11.38438 
1 1 1   -5   28   23 o   61.213   9.1905   36.437   9.4439 8.290215 18.38102 
1 1 1   -5   28   24 o  146.115   4.4239  217.403   10.651 -2.317017 8.847844 
1 1 1   -5   28   25 o  190.776   3.6662  363.230   11.889 2.887100 7.332300 
1 1 1   -5   28   26 o   74.420   8.6427   69.575   9.7187 -27.67049 17.28542 
1 1 1   -5   28   27 o   63.303   9.1279   49.602   9.0719 -19.53682 18.25572 
1 1 1   -5   29    1 o  229.416   4.6285  527.092   21.237      ?      ? 
1 1 1   -5   29    2 o  306.788   4.8880  942.621   29.992      ?      ? 
1 1 1   -5   29    4 o  384.443   5.7057  1480.85   43.870      ?      ? 
1 1 1   -5   29    5 o  195.739   4.4153  383.697   17.285      ?      ? 
1 1 1   -5   29    6 o  133.393   3.8445  211.017   8.1409 -45.10769 7.688938 
1 1 1   -5   29    8 o  231.179   2.7524  542.690   11.309 -6.409607 5.504761 
1 1 1   -5   29    9 o  227.880   2.7537  511.205   10.837 7.957031 5.507459 
1 1 1   -5   29   10 o  105.853   4.2200  114.116   5.9899 -2.149971 8.440061 
1 1 1   -5   29   11 o  215.702   2.8551  446.934   10.437 16.79666 5.710136 
1 1 1   -5   29   12 o  188.644   3.1421  368.387   10.101 -11.04556 6.284132 
1 1 1   -5   29   13 o  109.514   5.2594  137.998   8.7769 -25.28118 10.51886 
1 1 1   -5   29   14 o  212.562   5.3235  452.998   22.632      ?      ? 
1 1 1   -5   29   15 o   35.953   14.919   4.6225   17.612      ?      ? 
1 1 1   -5   29   16 o  187.828   3.3511  373.890   10.989 -22.18478 6.702219 
1 1 1   -5   29   17 o   58.580   9.2704   38.440   8.9926 -7.844097 18.54088 
1 1 1   -5   29   18 o  110.853   5.1990  121.574   9.2633 3.346321 10.39807 
1 1 1   -5   29   19 o  116.114   9.1958  138.098   21.355      ?      ? 
1 1 1   -5   29   20 o   89.697   6.1275   73.944   8.9972 14.70401 12.25502 
1 1 1   -5   29   21 o   55.070   9.5576   33.167   8.9160 -5.008987 19.11519 
1 1 1   -5   29   22 o  141.648   4.5106  202.739   9.9639 -0.5927887 9.021191 
1 1 1   -5   29   23 f  113.020   5.9141  138.210   9.8845 -11.65029 11.82822 
1 1 1   -5   29   24 o   67.978   8.6732   43.078   9.6312 13.46586 17.34635 
1 1 1   -5   29   25 o   67.473   8.8239   45.453   9.5800 4.212952 17.64778 
1 1 1   -5   29   26 o   58.828   8.7254   31.454   8.4808 19.28245 17.45086 
1 1 1   -5   30    1 o   76.015   8.6582   58.689   13.163      ?      ? 
1 1 1   -5   30    2 f  304.104   4.8070  929.061   29.237      ?      ? 
1 1 1   -5   30    3 o  164.694   2.8071  271.651   9.2462      ?      ? 
1 1 1   -5   30    4 o  102.497   2.6103  105.952   5.3135 12.90936 5.220700 
1 1 1   -5   30    5 o  131.882   2.6233  170.912   6.7163 10.47565 5.246700 
1 1 1   -5   30    6 o  220.177   2.5435  476.104   10.248 10.82658 5.086956 
1 1 1   -5   30    7 o   89.401   4.3397   81.495   6.8963 -2.667526 8.679327 
1 1 1   -5   30    8 o  144.325   2.8218  208.488   6.3154 0.3143768 5.643682 
1 1 1   -5   30    9 o   26.331   7.8305   1.5796   7.1308 -3.737963 15.66109 
1 1 1   -5   30   10 o  191.172   3.0739  401.693   10.452 -47.36079 6.147836 
1 1 1   -5   30   11 o  293.651   3.0576  847.429   16.246 12.68585 6.115163 
1 1 1   -5   30   12 o  247.859   5.0852  616.620   25.208      ?      ? 
1 1 1   -5   30   13 o  204.452   3.1484  444.143   11.238 -25.61220 6.296896 
1 1 1   -5   30   14 o  108.141   5.0174  125.863   8.4832 -11.87273 10.03487 
1 1 1   -5   30   15 o   78.605   7.2801   70.324   8.3803 -14.25786 14.56026 
1 1 1   -5   30   16 o  258.455   5.3172  671.898   27.485      ?      ? 
1 1 1   -5   30   17 o   65.669   8.9826   58.073   8.6585 -29.06507 17.96511 
1 1 1   -5   30   18 o   36.866   10.032   10.506   8.5859 6.517971 20.06388 
1 1 1   -5   30   19 o  146.294   4.2031  219.315   9.6167 -4.262878 8.406102 
1 1 1   -5   30   20 o   94.086   5.9415   82.104   8.8625 13.20032 11.88303 
1 1 1   -5   30   21 o   38.887   9.6041   15.705   9.0079 -7.794209 19.20823 
1 1 1   -5   30   22 o   31.256   9.6442   1.3016   9.1680 7.918360 19.28849 
1 1 1   -5   30   23 o  110.336   5.5873  123.409   9.6484 -0.4726410 11.17467 
1 1 1   -5   30   24 f  127.823   4.4523  157.604   9.4555 9.755989 8.904505 
1 1 1   -5   31    1 o  182.178   4.5718  334.107   16.658      ?      ? 
1 1 1   -5   31    4 o  104.827   4.0396  110.705   8.4692      ?      ? 
1 1 1   -5   31    5 o  208.865   3.6321  437.765   15.172      ?      ? 
1 1 1   -5   31    6 o  180.587   4.0961  326.843   14.794      ?      ? 
1 1 1   -5   31    7 o  385.131   3.4567  1509.56   25.667 -24.29401 6.913433 
1 1 1   -5   31    8 o  274.958   4.6035  757.757   25.315      ?      ? 
1 1 1   -5   31    9 o   94.897   3.7040   83.403   6.1086 14.70060 7.408094 
1 1 1   -5   31   11 o  178.602   2.8413  337.060   8.1720 -16.43491 5.682619 
1 1 1   -5   31   12 o   67.268   6.5172   41.199   6.6654 10.84200 13.03442 
1 1 1   -5   31   13 o  127.175   4.2722  185.388   7.5443 -25.34275 8.544477 
1 1 1   -5   31   14 o  210.239   2.9608  435.330   9.5858 5.642059 5.921686 
1 1 1   -5   31   15 o  142.376   3.8670  207.929   8.9485 -4.706696 7.733992 
1 1 1   -5   31   16 o  123.446   4.5847  160.543   8.7981 -9.157082 9.169425 
1 1 1   -5   31   17 o   32.199   9.5582   4.3775   8.3352 8.301676 19.11633 
1 1 1   -5   31   18 o  109.999   5.5113  130.643   8.8679 -11.34309 11.02261 
1 1 1   -5   31   19 o   40.873   9.3953   18.713   8.4170 -9.017963 18.79055 
1 1 1   -5   31   20 o  139.289   4.3364  187.847   9.5485 8.885483 8.672755 
1 1 1   -5   31   21 o  107.530   5.7732  126.785   9.4005 -14.05283 11.54636 
1 1 1   -5   31   22 o  152.805   4.0737  235.070   10.077 -0.3179474 8.147439 
1 1 1   -5   31   23 o   38.010   8.1596   16.637   8.4330 -21.71210 16.31921 
1 1 1   -5   32    1 o  196.494   4.6429  387.433   18.246      ?      ? 
1 1 1   -5   32    5 o  146.285   3.2047  214.631   9.3758      ?      ? 
1 1 1   -5   32    6 o   84.926   4.8230   72.593   8.1919      ?      ? 
1 1 1   -5   32    7 o  156.793   2.6897  244.863   8.0370 3.947113 5.379438 
1 1 1   -5   32    8 o  290.967   2.9118  839.010   15.543 9.662689 5.823685 
1 1 1   -5   32    9 o  110.979   3.8524  116.127   7.6006 15.10551 7.704894 
1 1 1   -5   32   10 o  226.416   2.6492  509.111   9.6682 3.431656 5.298347 
1 1 1   -5   32   11 o  266.213   2.8722  703.928   13.984 6.156891 5.744318 
1 1 1   -5   32   12 o  241.208   3.1545  583.473   15.218      ?      ? 
1 1 1   -5   32   13 o  138.310   3.9091  194.470   9.0837 -2.370987 7.818108 
1 1 1   -5   32   14 o  198.221   3.0761  395.169   9.1338 -0.8441467 6.152169 
1 1 1   -5   32   15 o  106.036   5.3244  125.013   7.2984 -14.47138 10.64885 
1 1 1   -5   32   16 o   51.576   8.9931   33.261   7.9947 -17.11600 17.98617 
1 1 1   -5   32   17 o   62.584   9.1038   51.037   8.3191 -22.77626 18.20769 
1 1 1   -5   32   18 o   90.669   6.4711   86.622   8.5157 -5.225487 12.94229 
1 1 1   -5   32   19 o  108.717   5.6309  132.125   8.8902 -17.12062 11.26190 
1 1 1   -5   32   20 o  113.246   5.0112  125.534   9.1018 5.554733 10.02233 
1 1 1   -5   32   21 o   28.756   8.9592  -0.0575   8.6601 3.116619 17.91849 
1 1 1   -5   33    1 o  256.108   3.0640  657.747   15.694      ?      ? 
1 1 1   -5   33    2 f  150.583   3.1303  227.399   9.4275      ?      ? 
1 1 1   -5   33    3 o  218.987   2.9682  480.722   13.000      ?      ? 
1 1 1   -5   33    4 o  158.856   3.1022  252.970   9.8560      ?      ? 
1 1 1   -5   33    5 o  147.186   3.1435  217.120   9.2536      ?      ? 
1 1 1   -5   33    6 o  195.623   2.2847  387.835   8.7964 -14.67647 4.569440 
1 1 1   -5   33    7 o  122.657   2.9694  146.179   7.0057 13.54625 5.938706 
1 1 1   -5   33    8 o   71.226   5.6695   53.776   7.0679 -7.188499 11.33895 
1 1 1   -5   33    9 o   89.872   4.9336   82.521   7.5262 -1.497574 9.867216 
1 1 1   -5   33   10 o  288.315   2.8298  825.926   13.377 4.855286 5.659524 
1 1 1   -5   33   11 o   78.402   5.8755   62.639   6.4297 -1.063248 11.75100 
1 1 1   -5   33   12 o   72.862   7.3911   66.957   6.5252 -22.65058 14.78213 
1 1 1   -5   33   13 o  172.886   3.2480  292.737   8.0071 5.882355 6.495983 
1 1 1   -5   33   14 o  101.180   5.0721   93.661   7.0363 13.01054 10.14427 
1 1 1   -5   33   15 o  169.640   3.5151  289.410   8.3066 -0.3336792 7.030199 
1 1 1   -5   33   16 o   80.179   6.6763   64.219   7.2663 1.500793 13.35269 
1 1 1   -5   33   17 o   46.890   9.0143   26.564   8.2077 -14.93103 18.02852 
1 1 1   -5   33   18 o  125.022   4.2666  147.390   8.6640 13.42411 8.533213 
1 1 1   -5   33   19 o   77.306   6.4989   56.373   8.1006 9.449677 12.99775 
1 1 1   -5   33   20 o  105.199   8.6759  205.284   18.254      ?      ? 
1 1 1   -5   34    1 o  217.613   2.9545  475.062   12.859      ?      ? 
1 1 1   -5   34    2 o  198.996   2.9704  397.282   11.822      ?      ? 
1 1 1   -5   34    3 o  149.748   3.2011  225.068   9.5871      ?      ? 
1 1 1   -5   34    4 o  142.472   3.2184  203.669   9.1706      ?      ? 
1 1 1   -5   34    5 o  285.104   3.2283  815.276   18.408      ?      ? 
1 1 1   -5   34    6 o  187.549   2.9324  352.567   11.000      ?      ? 
1 1 1   -5   34    7 o  126.712   2.6758  160.190   6.6631 4.157005 5.351512 
1 1 1   -5   34    8 o  172.355   2.5719  298.331   8.3448 -0.3074341 5.143824 
1 1 1   -5   34    9 o  168.169   2.8908  280.611   8.7393 4.532318 5.781600 
1 1 1   -5   34   10 o  247.163   2.8058  612.632   12.549 0.6401062 5.611640 
1 1 1   -5   34   11 f  106.156   4.1441  110.540   6.5025 3.984161 8.288186 
1 1 1   -5   34   12 o   73.430   6.7314   58.156   6.4538 -6.040497 13.46282 
1 1 1   -5   34   13 o   91.852   5.1348   79.125   6.5885 9.057205 10.26969 
1 1 1   -5   34   14 o  149.704   3.6220  226.472   7.5065 -1.344376 7.244034 
1 1 1   -5   34   15 o  119.615   4.2816  137.755   7.1561 7.096741 8.563165 
1 1 1   -5   34   16 o  124.407   4.1449  153.661   7.3579 2.067085 8.289730 
1 1 1   -5   34   17 o   85.633   6.2979   80.971   7.8880 -11.46770 12.59587 
1 1 1   -5   35    1 o  144.541   3.1875  209.572   9.2144      ?      ? 
1 1 1   -5   35    2 o  157.889   3.0802  250.011   9.7266      ?      ? 
1 1 1   -5   35    3 o  269.690   3.1521  729.517   17.002      ?      ? 
1 1 1   -5   35    4 o  180.453   2.9561  326.498   10.669      ?      ? 
1 1 1   -5   35    5 o   75.987   5.3984   58.264   8.2041      ?      ? 
1 1 1   -5   35    6 f  232.669   2.9556  542.890   13.754      ?      ? 
1 1 1   -5   35    7 o   79.855   5.0749   64.337   8.1051      ?      ? 
1 1 1   -5   35    8 o  149.969   2.6404  217.136   7.5318 18.15578 5.280844 
1 1 1   -5   35    9 o  146.123   2.8489  212.546   7.7012 3.475510 5.697770 
1 1 1   -5   35   10 o  124.610   3.5589  158.653   7.6831 -3.994408 7.117862 
1 1 1   -5   35   11 o  190.002   2.7196  345.858   7.9230 13.22337 5.439195 
1 1 1   -5   35   12 o  105.365   4.4926  116.057   6.4387 -5.748016 8.985151 
1 1 1   -5   35   13 f  205.405   2.8171  416.827   8.7481 4.499435 5.634110 
1 1 1   -5   35   14 o  117.814   3.9015  133.284   6.5523 7.422127 7.802957 
1 1 1   -5   35   15 o  162.072   3.3151  285.492   7.7048 -18.76549 6.630245 
1 1 1   -5   36    1 o  243.385   3.0259  594.118   14.729      ?      ? 
1 1 1   -5   36    2 o  150.311   3.2225  226.680   9.6876      ?      ? 
1 1 1   -5   36    3 o  131.486   3.3849  173.503   8.9013      ?      ? 
1 1 1   -5   36    4 o  118.303   3.6071  140.518   8.5346      ?      ? 
1 1 1   -5   36    5 f  206.649   2.8553  428.136   11.801      ?      ? 
1 1 1   -5   36    6 o  137.563   3.0927  189.828   8.5087      ?      ? 
1 1 1   -5   36    7 o  111.800   3.5158  125.482   7.8614      ?      ? 
1 1 1   -5   36    8 o  145.758   2.9819  212.979   8.6926      ?      ? 
1 1 1   -5   36    9 o  129.278   3.2662  167.581   8.4448      ?      ? 
1 1 1   -5   36   10 o  116.740   3.4409  128.127   7.0562 15.45409 6.881826 
1 1 1   -5   36   11 o  224.306   2.7367  504.166   11.141 0.9700012 5.473379 
1 1 1   -5   36   12 o  165.763   3.0823  285.676   8.9904 -10.31859 6.164651 
1 1 1   -5   37    1 o  185.768   2.9391  345.855   10.920      ?      ? 
1 1 1   -5   37    2 o  207.981   2.8746  433.476   11.957      ?      ? 
1 1 1   -5   37    3 o  123.951   3.3388  154.081   8.2768      ?      ? 
1 1 1   -5   37    4 o  137.747   3.0515  190.215   8.4067      ?      ? 
1 1 1   -5   37    5 o  124.221   3.1404  154.738   7.8020      ?      ? 
1 1 1   -5   37    6 o   96.009   3.8420   92.613   7.3774      ?      ? 
1 1 1   -5   37    7 o  128.753   3.0631  166.463   7.8877      ?      ? 
1 1 1   -4    0    3 f  267.868   3.9398  718.096   21.096 -0.000000 0.000000 
1 1 1   -4    0    4 o  393.517   5.5090  1549.87   43.338 -0.000000 0.000000 
1 1 1   -4    0    5 o  139.655   2.4105  195.341   6.7205 -0.000000 0.000000 
1 1 1   -4    0    6 o  799.641   7.7508  6404.19  123.889 -0.000000 0.000000 
1 1 1   -4    0    7 o  119.530   2.8733  144.233   6.8050 -0.000000 0.000000 
1 1 1   -4    0    8 o  227.835   2.6942  519.485   12.252 -0.000000 0.000000 
1 1 1   -4    0    9 o  124.217   3.1355  155.792   7.7062 -0.000000 0.000000 
1 1 1   -4    0   10 o   60.497   7.5163   42.188   7.5415 -0.000000 0.000000 
1 1 1   -4    0   11 o  103.969   4.0865  110.170   8.3457 -0.000000 0.000000 
1 1 1   -4    0   12 o  344.703   3.6331  1189.51   25.020 -0.000000 0.000000 
1 1 1   -4    0   13 o  210.260   3.0437  443.315   12.771 -0.000000 0.000000 
1 1 1   -4    0   14 o   95.691   5.4677   93.560   10.307 -0.000000 0.000000 
1 1 1   -4    0   15 o  337.144   3.7194  1137.41   25.059 -0.000000 0.000000 
1 1 1   -4    0   16 o  565.781   5.6435  3205.70   63.831 -0.000000 0.000000 
1 1 1   -4    0   17 o  242.008   3.8188  586.874   18.459 -0.000000 0.000000 
1 1 1   -4    0   18 o  313.590   3.9717  984.588   24.884 -0.000000 0.000000 
1 1 1   -4    0   19 o  372.907   4.2163  1392.24   31.423 -0.000000 0.000000 
1 1 1   -4    0   20 o  261.864   4.1704  687.184   21.777 -0.000000 0.000000 
1 1 1   -4    0   21 f  495.297   5.2415  2456.63   51.889 -0.000000 0.000000 
1 1 1   -4    0   22 o  427.252   4.7573  1827.39   40.620 -0.000000 0.000000 
1 1 1   -4    0   23 o  158.504   6.2826  254.495   19.655 -0.000000 0.000000 
1 1 1   -4    0   24 o  748.451   7.4327  5615.98  111.191 -0.000000 0.000000 
1 1 1   -4    0   25 f  484.004   5.1597  2347.15   49.916 -0.000000 0.000000 
1 1 1   -4    0   26 o  349.273   4.4257  1222.68   30.862 -0.000000 0.000000 
1 1 1   -4    0   27 o  300.000   4.3584  902.334   25.993 -0.000000 0.000000 
1 1 1   -4    0   28 o  278.931   4.3035  779.954   23.849 -0.000000 0.000000 
1 1 1   -4    0   29 o   17.597   9.1284 -43.6786   16.040 -0.000000 0.000000 
1 1 1   -4    0   30 o  100.742   8.3261  108.416   15.746 -0.000000 0.000000 
1 1 1   -4    0   31 o   58.541   13.134   47.445   14.949 -0.000000 0.000000 
1 1 1   -4    0   33 o  140.109   6.0820  197.996   16.801 -0.000000 0.000000 
1 1 1   -4    0   34 o   21.337   10.449 -13.3461   14.486 -0.000000 0.000000 
1 1 1   -4    0   35 o   79.835   11.325   69.121   15.604 -0.000000 0.000000 
1 1 1   -4    0   36 o  120.798   6.9966  151.857   16.152 -0.000000 0.000000 
1 1 1   -4    0   37 o  212.556   4.5743  458.102   19.251 -0.000000 0.000000 
1 1 1   -4    0   38 o  329.329   4.3744  1092.12   28.769 -0.000000 0.000000 
1 1 1   -4    0   39 o  114.608   7.7011  134.471   17.169 -0.000000 0.000000 
1 1 1   -4    0   40 o   33.983   14.060   12.012   16.412 -0.000000 0.000000 
1 1 1   -4    0   41 f   74.953   12.088   66.763   15.633 -0.000000 0.000000 
1 1 1   -4    1    3 o  867.193   11.879  7538.72  206.021      ?      ? 
1 1 1   -4    1    4 o  163.493   3.1697  267.345   10.365      ?      ? 
1 1 1   -4    1    5 o  221.198   1.7822  489.321   7.8843 2.311539 3.564476 
1 1 1   -4    1    6 o  472.902   3.2788  2235.53   30.992 10.21912 6.557615 
1 1 1   -4    1    7 o  370.988   2.6285  1376.74   19.502 -1.232666 5.256975 
1 1 1   -4    1    8 o  380.440   2.6997  1447.99   20.542 0.9103394E-01 5.399499 
1 1 1   -4    1    9 o   56.684   4.3196   32.276   4.8802 -2.787796 8.639235 
1 1 1   -4    1   10 o  238.032   2.0207  566.671   9.6186 -4.718353 4.041351 
1 1 1   -4    1   11 o  156.436   2.1366  244.884   6.6833 -3.287979 4.273283 
1 1 1   -4    1   12 o  401.719   2.8947  1614.52   23.252 -5.981079 5.789388 
1 1 1   -4    1   13 o  218.077   2.6604  476.431   11.000 0.8594971 5.320869 
1 1 1   -4    1   14 o  238.469   2.2905  566.576   10.899 14.21172 4.581021 
1 1 1   -4    1   15 o  127.923   3.2063  163.584   8.1979 3.402016 6.412676 
1 1 1   -4    1   16 o   17.442   6.1403 -30.9007   8.4943 -0.3064747 12.28067 
1 1 1   -4    1   17 o  834.029   5.7601  6967.29   96.079 -4.350830 11.52025 
1 1 1   -4    1   18 o  395.164   3.0619  1561.83   24.196 5.132751 6.123861 
1 1 1   -4    1   19 o  174.653   3.1767  305.154   11.095 -3.289963 6.353420 
1 1 1   -4    1   20 o  422.443   3.2736  1785.03   27.652 5.225189 6.547112 
1 1 1   -4    1   21 o  481.906   3.6232  2323.40   34.916 5.240875 7.246493 
1 1 1   -4    1   22 f  131.475   6.9797  173.094   18.353      ?      ? 
1 1 1   -4    1   23 f  521.523   3.8483  2722.41   40.139 0.9118652 7.696541 
1 1 1   -4    1   24 o  188.241   3.8044  354.388   14.312 -10.23825 7.608844 
1 1 1   -4    1   25 o   47.560   11.048   21.166   12.618 12.71100 22.09688 
1 1 1   -4    1   26 o  246.422   3.1793  607.960   15.668 0.9949341 6.358517 
1 1 1   -4    1   27 o  238.400   3.1968  568.814   15.239 7.028259 6.393661 
1 1 1   -4    1   28 o  173.403   3.7845  301.786   13.109 -8.570969 7.568996 
1 1 1   -4    1   29 o   96.187   6.0333   93.171   11.603 0.1817932 12.06651 
1 1 1   -4    1   30 o   41.039   10.413   14.328   11.071 7.929344 20.82596 
1 1 1   -4    1   31 o  188.738   3.2149  357.290   12.135 -1.478043 6.429820 
1 1 1   -4    1   32 o  193.544   5.0410  375.388   19.513      ?      ? 
1 1 1   -4    1   33 f  141.106   4.2070  201.011   11.870 -3.109253 8.414061 
1 1 1   -4    1   34 o  153.631   3.6184  237.381   11.115 -2.010056 7.236898 
1 1 1   -4    1   35 f  123.215   4.6571  151.869   11.434 15.00718 9.314173 
1 1 1   -4    1   36 o  141.621   4.1681  202.408   11.800 3.222260 8.336258 
1 1 1   -4    1   37 o  106.376   5.5483  115.199   11.723 -12.95350 11.09670 
1 1 1   -4    1   38 o   27.897   9.0542 -16.6387   12.165 10.70761 18.10835 
1 1 1   -4    1   39 o  165.936   3.8798  278.235   12.866 -6.044342 7.759643 
1 1 1   -4    1   40 o   66.168   9.0418   46.857   11.712 10.07962 18.08368 
1 1 1   -4    1   41 f   88.569   6.2391   80.236   10.985 -12.50208 12.47813 
1 1 1   -4    2    3 o  481.088   6.6341  2316.20   63.832      ?      ? 
1 1 1   -4    2    4 o  524.374   4.4209  2753.96   43.775 -1.536743 8.841765 
1 1 1   -4    2    5 o  236.913   1.8397  561.305   8.7165 -1.521561 3.679416 
1 1 1   -4    2    6 o  131.863   2.5866  173.904   6.8215      ?      ? 
1 1 1   -4    2    7 o  298.022   2.2002  888.327   13.114 -2.537445 4.400455 
1 1 1   -4    2    8 o  191.876   1.8153  368.164   6.9653 -4.569901 3.630631 
1 1 1   -4    2    9 o  365.301   2.6270  1335.09   19.192 2.031891 5.253994 
1 1 1   -4    2   10 o  333.199   2.4582  1110.79   16.381 -1.766235 4.916337 
1 1 1   -4    2   11 o  250.114   2.1066  625.761   10.537 3.377121 4.213254 
1 1 1   -4    2   12 f  342.493   2.5532  1173.65   17.489 2.301544 5.106448 
1 1 1   -4    2   13 f  181.696   2.2659  330.280   8.2335 -0.1331482 4.531824 
1 1 1   -4    2   14 o  518.600   3.6537  2692.03   37.896 -1.903748 7.307493 
1 1 1   -4    2   15 o  261.980   2.4385  686.568   12.776 2.568390 4.876945 
1 1 1   -4    2   16 o  191.822   2.6316  368.010   10.091 1.290482 5.263142 
1 1 1   -4    2   17 o  625.272   4.3930  3913.35   54.936 0.7611694 8.785924 
1 1 1   -4    2   18 o   77.959   6.6111   60.913   10.303 2.813210 13.22229 
1 1 1   -4    2   19 o  162.333   3.3068  263.025   10.710 5.290207 6.613692 
1 1 1   -4    2   20 o  193.206   3.2854  373.439   12.656 0.2651062 6.570870 
1 1 1   -4    2   21 o  267.464   3.0501  715.766   16.313 -5.489136 6.100225 
1 1 1   -4    2   22 o   78.245   8.7171   64.505   12.632 34.81230 17.43425 
1 1 1   -4    2   24 o  408.599   3.2932  1670.99   26.911 1.915802 6.586322 
1 1 1   -4    2   25 o  284.960   3.0788  812.711   17.545 -1.416809 6.157509 
1 1 1   -4    2   26 o   82.200   7.7087   68.216   12.622 -8.483521 15.41744 
1 1 1   -4    2   27 o   56.925   10.721   34.014   12.427 -2.608723 21.44153 
1 1 1   -4    2   28 o   98.810   6.1709   98.347   12.193 1.171829 12.34185 
1 1 1   -4    2   29 o  128.650   4.6389  166.309   11.929 -3.995552 9.277774 
1 1 1   -4    2   30 o  177.356   3.4444  315.495   12.217 1.681747 6.888783 
1 1 1   -4    2   31 o  192.202   3.2295  370.609   12.413 1.145630 6.458957 
1 1 1   -4    2   33 o   39.114   10.486   12.256   11.288 0.7181969 20.97221 
1 1 1   -4    2   34 o   73.410   7.3020   55.114   10.717 2.860268 14.60400 
1 1 1   -4    2   35 f  183.762   4.7698  338.396   17.530      ?      ? 
1 1 1   -4    2   36 o   40.003   10.513   13.963   11.214 0.5314941 21.02551 
1 1 1   -4    2   37 o  131.298   4.6230  173.966   12.113 11.20266 9.245902 
1 1 1   -4    2   38 o  184.219   3.6346  341.535   13.383 9.006699 7.269256 
1 1 1   -4    2   39 o  160.074   4.0267  258.724   12.884 4.330307 8.053391 
1 1 1   -4    2   40 o   76.393   11.072   60.676   16.916      ?      ? 
1 1 1   -4    2   41 o   70.986   7.8411   52.858   10.835 9.856750 15.68213 
1 1 1   -4    3    2 o  660.626   9.0556  4370.39  119.648      ?      ? 
1 1 1   -4    3    3 o  213.539   3.3547  456.077   14.327      ?      ? 
1 1 1   -4    3    4 o  145.753   1.9502  214.983   5.4495 -6.296280 3.900476 
1 1 1   -4    3    5 f  345.152   2.9858  1200.56   19.658 -8.730499 5.971610 
1 1 1   -4    3    6 o  282.596   2.0959  798.763   11.846 -1.498962 4.191800 
1 1 1   -4    3    7 o  201.485   1.7988  406.013   7.2469 0.5406036 3.597511 
1 1 1   -4    3    8 o  281.256   2.1424  791.308   12.051 -1.310242 4.284722 
1 1 1   -4    3    9 o  248.605   2.0245  617.836   10.062 -6.526596 4.048935 
1 1 1   -4    3   10 f  139.162   2.1876  192.184   6.0611 17.60930 4.375165 
1 1 1   -4    3   11 o  151.387   2.5573  227.962   7.4788 3.377914 5.114558 
1 1 1   -4    3   12 o  365.709   2.6877  1338.30   19.658 -0.1924133 5.375376 
1 1 1   -4    3   13 o  113.643   3.0339  129.242   6.8952 -1.799629 6.067779 
1 1 1   -4    3   14 o   77.021   4.8025   59.245   7.3865 -4.221512 9.604987 
1 1 1   -4    3   15 o  139.394   3.0062  194.385   8.3775 -0.6403961 6.012346 
1 1 1   -4    3   16 f  318.688   2.6356  1015.99   16.799 -0.8210144 5.271259 
1 1 1   -4    3   17 o  191.682   2.9410  367.762   11.267 -7.739410 5.881937 
1 1 1   -4    3   18 o  827.883   5.7274  6863.98   94.832 0.4517212 11.45473 
1 1 1   -4    3   19 o  373.021   2.9703  1391.31   22.150 6.245483 5.940668 
1 1 1   -4    3   20 o  519.271   3.7797  2696.95   39.235 8.114929 7.559365 
1 1 1   -4    3   21 o  184.892   5.2680  342.083   19.480      ?      ? 
1 1 1   -4    3   22 o  281.765   3.0365  794.531   17.105 -2.083862 6.073034 
1 1 1   -4    3   24 o  310.088   3.0541  962.272   18.941 -1.457825 6.108231 
1 1 1   -4    3   25 o  236.491   3.2641  559.869   15.439 -0.7059021 6.528290 
1 1 1   -4    3   26 o  139.065   4.6494  194.711   12.875 -11.96503 9.298715 
1 1 1   -4    3   27 o   31.435   9.8458  -6.6449   12.474 -3.893810 19.69167 
1 1 1   -4    3   28 o   65.840   9.5355   45.674   12.122 0.8010864E-01 19.07105 
1 1 1   -4    3   29 o  261.412   2.9804  684.594   15.582 -2.267303 5.960887 
1 1 1   -4    3   30 o  171.524   3.4933  295.123   11.982 3.874741 6.986631 
1 1 1   -4    3   31 o   47.359   10.470   23.136   11.010 -1.775898 20.93987 
1 1 1   -4    3   33 o   27.754   8.7098 -13.4227   11.097 -12.99265 17.41961 
1 1 1   -4    3   34 o   80.170   6.9811   65.762   11.051 17.12483 13.96224 
1 1 1   -4    3   35 o  114.074   5.2820  130.574   12.036 5.309731 10.56394 
1 1 1   -4    3   36 o  144.375   4.1338  210.918   11.913 -9.626007 8.267546 
1 1 1   -4    3   37 o   97.287   6.1857   96.922   11.901 -16.46533 12.37140 
1 1 1   -4    3   38 o   72.445   8.4597   55.236   11.990 6.729034 16.91931 
1 1 1   -4    3   39 o   28.870   9.2695  -8.1374   11.659 2.566206 18.53907 
1 1 1   -4    3   40 o   56.965   10.105   35.842   11.497 2.916855 20.21007 
1 1 1   -4    3   41 o   71.720   7.7695   53.658   10.784 14.72061 15.53897 
1 1 1   -4    4    2 o  426.455   5.9025  1819.72   50.343      ?      ? 
1 1 1   -4    4    3 o  285.724   2.9196  816.534   16.682 -2.005402 5.839233 
1 1 1   -4    4    4 o  596.225   5.0384  3523.23   55.871 15.58093 10.07679 
1 1 1   -4    4    5 o  630.269   5.2924  3994.43   63.329 -9.035461 10.58479 
1 1 1   -4    4    6 f  150.424   1.7523  226.320   5.2714 -1.885193 3.504566 
1 1 1   -4    4    7 o  252.076   1.9793  635.202   9.9757 -6.193848 3.958667 
1 1 1   -4    4    8 o  158.969   1.9032  252.635   6.0490 3.621826 3.806383 
1 1 1   -4    4    9 o  129.208   2.1772  166.996   5.6248 -4.077644 4.354426 
1 1 1   -4    4   10 o  237.605   2.0461  564.556   9.7197 3.186600 4.092235 
1 1 1   -4    4   11 o  213.613   2.0720  456.488   8.8520 0.2969360E-01 4.143929 
1 1 1   -4    4   12 o  287.808   2.3223  826.946   13.349 -11.25687 4.644597 
1 1 1   -4    4   13 o  262.411   2.2893  688.868   12.012 -0.2130432 4.578617 
1 1 1   -4    4   15 o  476.934   3.4210  2275.44   32.624 -6.529602 6.842071 
1 1 1   -4    4   16 o  222.905   2.5844  496.827   11.519 5.027359 5.168846 
1 1 1   -4    4   17 o  574.428   4.0685  3301.46   46.734 6.959900 8.136939 
1 1 1   -4    4   18 o  355.509   2.8962  1263.00   20.576 -9.119568 5.792466 
1 1 1   -4    4   19 o  598.538   4.2320  3585.26   50.657 4.910889 8.464081 
1 1 1   -4    4   21 o  291.193   4.2158  848.294   24.552      ?      ? 
1 1 1   -4    4   22 o   58.553   10.359   36.035   12.183 -9.150734 20.71778 
1 1 1   -4    4   24 o  121.143   5.2455  147.096   12.709 -1.577934 10.49099 
1 1 1   -4    4   25 o  173.117   3.9063  300.171   13.522 0.3777618 7.812682 
1 1 1   -4    4   26 o  191.688   3.6351  367.745   13.927 3.895309 7.270158 
1 1 1   -4    4   27 o  166.329   4.0180  279.698   13.247 -18.60191 8.035944 
1 1 1   -4    4   28 o  267.787   3.0185  718.199   16.152 1.912567 6.036955 
1 1 1   -4    4   29 o   99.019   5.9240   98.620   11.721 3.990990 11.84793 
1 1 1   -4    4   30 o   82.709   6.7213   69.090   11.096 7.308174 13.44262 
1 1 1   -4    4   31 o   29.467   9.1740  -7.9663   11.330 -9.600969 18.34797 
1 1 1   -4    4   33 o   76.402   7.2241   58.026   10.850 19.61745 14.44824 
1 1 1   -4    4   34 o  134.577   4.2682  183.411   11.450 -0.7735291 8.536355 
1 1 1   -4    4   36 o   50.240   10.372   27.537   11.197 -8.369534 20.74353 
1 1 1   -4    4   37 o   81.171   7.4234   68.552   11.847 -16.21795 14.84680 
1 1 1   -4    4   38 o   64.226   9.5323   44.930   11.840 1.225986 19.06458 
1 1 1   -4    4   39 o   61.120   9.6903   41.077   11.568 7.632465 19.38060 
1 1 1   -4    4   40 o   35.907   10.302   7.1081   11.554 -0.5913353 20.60392 
1 1 1   -4    4   41 o   34.940   9.8437   7.6031   10.463 3.993176 19.68738 
1 1 1   -4    5    1 o  357.446   4.9897  1278.25   35.671      ?      ? 
1 1 1   -4    5    2 o  429.904   5.9546  1849.39   51.198      ?      ? 
1 1 1   -4    5    3 o  619.144   6.0123  3836.65   74.416 11.35486 12.02462 
1 1 1   -4    5    4 o  543.201   4.5799  2955.63   46.994 -1.415283 9.159848 
1 1 1   -4    5    5 o  301.071   2.6822  907.665   15.253 -0.9402466 5.364352 
1 1 1   -4    5    6 o  353.209   3.0816  1245.63   20.478 2.144836 6.163155 
1 1 1   -4    5    7 o  373.203   2.6553  1392.73   19.811 -6.906311 5.310677 
1 1 1   -4    5    8 o  104.810   3.4737  109.907   7.2815      ?      ? 
1 1 1   -4    5    9 o  244.660   2.0369  598.709   9.9660 2.723099 4.073829 
1 1 1   -4    5   10 o   60.693   4.5306   37.192   5.4569 6.075138 9.061202 
1 1 1   -4    5   11 o  195.937   2.0743  383.961   8.1273 -4.659439 4.148556 
1 1 1   -4    5   12 o  158.692   2.3174  251.964   7.3543 1.272980 4.634713 
1 1 1   -4    5   13 o  332.694   2.5699  1107.40   17.099 0.4751892 5.139706 
1 1 1   -4    5   15 o  229.759   2.4428  527.812   11.222 5.381577 4.885556 
1 1 1   -4    5   16 o  431.330   3.1892  1860.99   27.508 6.132477 6.378344 
1 1 1   -4    5   17 o  239.046   2.7492  571.744   13.140 5.875259 5.498374 
1 1 1   -4    5   18 o  627.196   4.4084  3937.31   55.298 -1.689636 8.816847 
1 1 1   -4    5   19 o  262.649   2.7881  690.160   14.644 5.307129 5.576162 
1 1 1   -4    5   20 o  353.932   4.2612  1253.26   30.163      ?      ? 
1 1 1   -4    5   22 o  227.330   3.1989  517.355   14.538 5.023514 6.397830 
1 1 1   -4    5   23 o  205.529   4.7180  422.756   19.394      ?      ? 
1 1 1   -4    5   24 o  240.654   3.1593  579.582   15.204 -1.726913 6.318681 
1 1 1   -4    5   25 o  269.995   3.0574  729.733   16.509 1.651947 6.114718 
1 1 1   -4    5   26 o  201.838   3.4695  407.928   14.004 2.514557 6.938927 
1 1 1   -4    5   27 o  380.353   4.5054  1448.73   34.273      ?      ? 
1 1 1   -4    5   28 o  225.444   3.1863  509.339   14.365 -3.802063 6.372664 
1 1 1   -4    5   29 o  195.152   3.3482  381.802   13.068 -0.2532654 6.696367 
1 1 1   -4    5   30 o  134.425   4.2903  182.147   11.502 -6.304825 8.580601 
1 1 1   -4    5   31 o   84.777   6.8908   72.756   11.645 7.202103 13.78151 
1 1 1   -4    5   33 f   88.120   6.2484   78.494   10.938 3.050301 12.49679 
1 1 1   -4    5   34 o  108.650   5.2129  121.286   11.228 -1.760330 10.42577 
1 1 1   -4    5   35 o   53.140   10.119   31.018   11.402 -15.93290 20.23882 
1 1 1   -4    5   36 o   39.093   10.151   11.639   10.910 13.61119 20.30204 
1 1 1   -4    5   37 o   27.871   8.9858 -11.2395   11.551 -6.610485 17.97169 
1 1 1   -4    5   38 o   57.520   10.246   36.352   11.745 3.755138 20.49295 
1 1 1   -4    5   39 f   69.406   8.7141   52.694   11.578 -17.15080 17.42820 
1 1 1   -4    5   40 o   44.362   10.665   19.748   11.432 6.852470 21.33041 
1 1 1   -4    5   41 o   91.414   7.6789   86.061   13.803 -23.24184 15.35785 
1 1 1   -4    6    1 o  373.622   5.1987  1396.74   38.847      ?      ? 
1 1 1   -4    6    2 f  282.547   4.0579  798.623   22.931      ?      ? 
1 1 1   -4    6    3 o  439.459   4.3064  1931.14   37.823 10.62497 8.612716 
1 1 1   -4    6    4 o  552.889   5.3841  3061.41   59.531 -4.060669 10.76819 
1 1 1   -4    6    5 o  187.227   2.0898  348.419   7.4305 3.714096 4.179661 
1 1 1   -4    6    6 o  401.723   3.4601  1613.46   26.184 1.195557 6.920199 
1 1 1   -4    6    7 o  231.417   1.9184  534.190   8.8636 -10.86981 3.836746 
1 1 1   -4    6    8 o  106.137   2.4235  112.765   5.1285 -10.88663 4.846941 
1 1 1   -4    6    9 o  201.208   2.3451  401.660   8.9208 5.059692 4.690187 
1 1 1   -4    6   10 o   79.201   3.5353   63.139   5.5438 -13.51700 7.070523 
1 1 1   -4    6   11 o  237.382   2.1114  563.544   10.022 -3.614059 4.222879 
1 1 1   -4    6   12 o  270.644   2.2728  732.797   12.302 -2.519684 4.545524 
1 1 1   -4    6   13 o  287.587   3.4200  827.397   19.671      ?      ? 
1 1 1   -4    6   14 o  266.353   2.4063  708.705   12.806 -7.895264 4.812696 
1 1 1   -4    6   15 o  220.933   2.4719  487.903   10.914 -4.003525 4.943792 
1 1 1   -4    6   16 f  248.715   2.5771  618.471   12.807 -2.791229 5.154142 
1 1 1   -4    6   17 o  829.106   5.7282  6883.85   94.982 -4.247375 11.45638 
1 1 1   -4    6   18 o  120.744   4.3623  146.613   10.436 4.586998 8.724533 
1 1 1   -4    6   19 o  537.943   3.8943  2896.01   41.897 1.751770 7.788510 
1 1 1   -4    6   20 o  193.275   3.4951  374.316   13.480 15.19211 6.990215 
1 1 1   -4    6   21 o  434.962   3.3876  1890.06   29.440 15.45395 6.775160 
1 1 1   -4    6   22 o  639.744   4.5426  4097.85   58.118 -3.328491 9.085208 
1 1 1   -4    6   23 o  334.938   3.0492  1122.67   20.425 1.378082 6.098491 
1 1 1   -4    6   24 o  244.618   3.1243  598.807   15.284 4.708755 6.248616 
1 1 1   -4    6   25 f   76.745   8.1232   59.303   12.461 3.802170 16.24646 
1 1 1   -4    6   27 o  306.898   3.0346  943.130   18.625 2.588623 6.069209 
1 1 1   -4    6   28 o  321.790   2.9916  1037.17   19.252 -2.650696 5.983206 
1 1 1   -4    6   29 o  306.556   2.9131  941.297   17.857 6.090149 5.826197 
1 1 1   -4    6   30 o   53.336   9.9889   30.145   10.886 8.147591 19.97770 
1 1 1   -4    6   32 o  165.819   5.6909  276.115   18.873      ?      ? 
1 1 1   -4    6   33 o  125.007   4.5028  158.092   11.222 -7.747025 9.005504 
1 1 1   -4    6   34 o   27.845   9.0380 -10.5449   11.429 2.606552 18.07605 
1 1 1   -4    6   35 o   32.487   9.6552   0.7609   11.179 -8.015583 19.31038 
1 1 1   -4    6   36 o   56.810   9.8366   34.991   11.090 6.181522 19.67323 
1 1 1   -4    6   37 o  105.407   5.6351  114.189   11.759 -4.046165 11.27026 
1 1 1   -4    6   38 o   53.646   10.649   31.622   11.802 0.9189987 21.29713 
1 1 1   -4    6   39 o   80.361   7.5125   68.021   11.829 -7.979797 15.02505 
1 1 1   -4    6   40 o   74.159   7.8011   56.548   11.547 5.923470 15.60217 
1 1 1   -4    6   41 o   39.656   11.259   20.425   13.540 -10.03090 22.51856 
1 1 1   -4    7    1 o  685.906   9.4202  4716.10  129.228      ?      ? 
1 1 1   -4    7    2 o  601.334   8.2668  3623.15   99.423      ?      ? 
1 1 1   -4    7    3 o  290.527   2.9653  844.446   17.227 -1.468506 5.930660 
1 1 1   -4    7    4 o  265.786   2.7989  705.236   14.856 10.27719 5.597818 
1 1 1   -4    7    5 o  538.985   4.5692  2896.94   46.159 6.463379 9.138425 
1 1 1   -4    7    6 o  448.274   3.8305  2014.93   32.450 -2.204773 7.661089 
1 1 1   -4    7    7 o  347.511   3.0674  1213.40   20.207 -4.431183 6.134820 
1 1 1   -4    7    8 o  188.460   1.8920  355.058   7.1282 -7.735382 3.783993 
1 1 1   -4    7    9 o  184.441   1.9619  340.193   7.2358 3.459274 3.923786 
1 1 1   -4    7   10 o  177.849   2.0312  316.225   7.2221 6.621048 4.062345 
1 1 1   -4    7   11 o  102.327   3.0450  104.794   6.2311 -1.842987 6.090063 
1 1 1   -4    7   12 o  139.724   2.6024  195.281   7.2716 -2.391098 5.204815 
1 1 1   -4    7   13 o  207.267   3.3132  429.745   13.734      ?      ? 
1 1 1   -4    7   14 o  304.499   2.5173  927.496   15.328 -0.4026489 5.034531 
1 1 1   -4    7   15 o  421.415   3.1118  1776.72   26.226 -1.371826 6.223570 
1 1 1   -4    7   16 o  470.941   3.4238  2219.02   32.247 0.2391052 6.847617 
1 1 1   -4    7   17 o  129.140   5.8678  166.906   15.155      ?      ? 
1 1 1   -4    7   18 o  387.690   3.0399  1503.86   23.568 2.704132 6.079763 
1 1 1   -4    7   21 o  745.599   5.2100  5567.48   77.671 -10.37030 10.41998 
1 1 1   -4    7   22 o  150.673   5.9266  227.280   17.860      ?      ? 
1 1 1   -4    7   23 o  363.077   3.1057  1318.94   22.546 -4.067413 6.211436 
1 1 1   -4    7   24 o  124.814   5.0756  156.195   12.669 1.326752 10.15127 
1 1 1   -4    7   25 o  184.026   3.6938  339.014   13.591 5.598145 7.387646 
1 1 1   -4    7   26 o  268.942   3.0791  724.087   16.561 2.538025 6.158103 
1 1 1   -4    7   27 f  116.030   5.2973  135.667   12.262 -6.166542 10.59452 
1 1 1   -4    7   28 f  185.252   3.4677  343.884   12.845 2.502991 6.935397 
1 1 1   -4    7   29 o  232.721   3.0096  542.705   14.003 1.945297 6.019267 
1 1 1   -4    7   30 o  176.346   3.4142  312.498   12.021 -11.03519 6.828342 
1 1 1   -4    7   31 o  193.558   5.1628  375.731   19.986      ?      ? 
1 1 1   -4    7   33 o  104.140   5.5105  109.809   11.460 -0.4740143E-01 11.02106 
1 1 1   -4    7   35 o   92.820   6.1251   87.727   11.343 3.359116 12.25010 
1 1 1   -4    7   36 f  122.206   6.4141  150.670   15.677      ?      ? 
1 1 1   -4    7   37 o   68.392   8.6145   49.276   11.513 8.385399 17.22902 
1 1 1   -4    7   38 o  123.809   4.8789  156.393   12.003 -8.695534 9.757729 
1 1 1   -4    7   39 o  165.683   3.8003  277.341   12.557 -3.168472 7.600541 
1 1 1   -4    7   40 o  126.176   4.7293  161.067   11.928 -1.472031 9.458504 
1 1 1   -4    8    1 o  471.078   6.5083  2222.51   61.318      ?      ? 
1 1 1   -4    8    2 f  328.911   4.6415  1082.69   30.533      ?      ? 
1 1 1   -4    8    3 o  121.021   2.3482  146.522   5.6836 -0.4980774 4.696413 
1 1 1   -4    8    4 o  280.417   2.9103  786.574   16.318 -4.635895 5.820675 
1 1 1   -4    8    5 o  183.683   2.1346  333.239   7.3616 6.636261 4.269169 
1 1 1   -4    8    6 o  288.942   2.6536  833.160   14.398 2.181396 5.307196 
1 1 1   -4    8    7 o  389.349   3.3805  1524.18   24.947 -5.546204 6.761066 
1 1 1   -4    8    8 o  225.471   1.9502  508.505   8.7915 0.8362122 3.900368 
1 1 1   -4    8    9 o  123.512   2.3633  152.577   5.8366 1.983528 4.726512 
1 1 1   -4    8   10 o  170.214   2.9799  289.834   10.144      ?      ? 
1 1 1   -4    8   11 o   89.429   3.5295   80.054   6.3111 0.2329865 7.058947 
1 1 1   -4    8   12 o  456.299   3.2458  2083.42   29.620 2.495728 6.491664 
1 1 1   -4    8   13 o  130.022   4.2843  169.145   11.141      ?      ? 
1 1 1   -4    8   14 o  150.199   2.9045  225.828   8.7193 5.768631 5.809062 
1 1 1   -4    8   15 o  366.445   3.5124  1342.82   24.105 -0.5392761 7.024731 
1 1 1   -4    8   16 o  359.121   2.8808  1290.24   20.689 1.878723 5.761513 
1 1 1   -4    8   17 o  406.376   3.1184  1651.94   25.342 6.368378 6.236708 
1 1 1   -4    8   18 o  194.537   3.1289  380.110   12.126 13.76489 6.257885 
1 1 1   -4    8   19 o  121.650   5.1540  152.206   12.167 30.35963 10.30808 
1 1 1   -4    8   20 o  469.414   3.5539  2202.27   33.344 15.87653 7.107896 
1 1 1   -4    8   21 o  281.825   4.2335  794.732   23.862      ?      ? 
1 1 1   -4    8   22 o  199.180   4.8397  397.060   19.280      ?      ? 
1 1 1   -4    8   23 o  170.412   3.8301  290.850   13.050 4.218292 7.660203 
1 1 1   -4    8   24 o  364.459   3.1082  1329.58   22.656 2.911743 6.216453 
1 1 1   -4    8   25 o  430.184   3.3670  1852.79   28.964 -4.788971 6.733964 
1 1 1   -4    8   26 o  122.826   7.1512  151.373   17.567      ?      ? 
1 1 1   -4    8   27 o  335.561   3.0068  1127.86   20.177 3.664764 6.013577 
1 1 1   -4    8   28 f   79.336   7.2106   63.978   11.379 -7.257011 14.42127 
1 1 1   -4    8   29 o  216.366   3.0434  469.118   13.156 2.401993 6.086892 
1 1 1   -4    8   30 f  133.259   4.2523  178.756   11.313 -1.899338 8.504632 
1 1 1   -4    8   32 o   51.736   10.302   28.802   11.111 -1.183075 20.60361 
1 1 1   -4    8   33 o   25.742   8.5298 -15.8595   11.232 -2.728479 17.05959 
1 1 1   -4    8   34 o  141.547   6.1828  201.087   17.503      ?      ? 
1 1 1   -4    8   35 o   65.141   8.9126   45.488   11.162 4.052383 17.82528 
1 1 1   -4    8   36 o  171.024   3.5641  293.683   12.182 4.057404 7.128211 
1 1 1   -4    8   37 o   32.014   9.6638  -3.1842   11.523 12.29578 19.32751 
1 1 1   -4    8   38 o   31.394   9.5777  -2.3944   11.511 -8.039562 19.15549 
1 1 1   -4    8   39 o  129.461   6.7567  170.016   17.495      ?      ? 
1 1 1   -4    8   40 o  128.631   4.5102  166.618   11.576 -11.90289 9.020325 
1 1 1   -4    9    1 o  171.432   3.0279  294.003   10.382      ?      ? 
1 1 1   -4    9    2 o  309.597   4.4223  959.309   27.383      ?      ? 
1 1 1   -4    9    3 o  314.392   3.1777  988.088   19.961 8.162964 6.355442 
1 1 1   -4    9    4 o  189.155   2.3571  357.163   8.8976 6.105270 4.714190 
1 1 1   -4    9    5 o  212.419   2.2214  446.401   8.8008 6.421524 4.442867 
1 1 1   -4    9    6 o  102.011   2.9039  104.387   5.4810 -0.6629639 5.807713 
1 1 1   -4    9    7 o  307.562   2.8068  945.479   16.194 1.002289 5.613666 
1 1 1   -4    9    8 o  191.824   2.4332  369.885   8.6805 -2.504303 4.866394 
1 1 1   -4    9    9 o  184.859   2.0056  341.187   7.4063 7.150742 4.011140 
1 1 1   -4    9   10 o  197.665   2.1002  390.467   8.2978 -9.195938 4.200366 
1 1 1   -4    9   11 o  207.214   2.2067  429.411   9.1419 1.754410 4.413415 
1 1 1   -4    9   13 o  448.046   3.2281  2007.84   28.919 -6.923584 6.456124 
1 1 1   -4    9   14 o  291.955   2.5217  851.920   14.718 9.138824 5.043354 
1 1 1   -4    9   15 o  361.872   2.8382  1309.39   20.536 7.584686 5.676443 
1 1 1   -4    9   16 o  572.502   4.0520  3280.00   46.395 3.610535 8.104032 
1 1 1   -4    9   17 o  521.434   3.7597  2720.46   39.203 -4.060730 7.519351 
1 1 1   -4    9   19 o   88.749   9.1774   78.923   16.290      ?      ? 
1 1 1   -4    9   20 f  186.647   3.5221  348.408   13.143 -5.405472 7.044232 
1 1 1   -4    9   22 f   72.491   8.7342   54.513   12.172 16.74554 17.46837 
1 1 1   -4    9   23 o  119.281   5.2096  142.573   12.414 -7.734940 10.41916 
1 1 1   -4    9   24 o  207.268   3.3155  430.130   13.743 -2.625046 6.630940 
1 1 1   -4    9   25 f   48.700   10.814   23.358   12.060 -11.66740 21.62805 
1 1 1   -4    9   26 o  165.654   3.8638  275.091   12.800 -2.213699 7.727629 
1 1 1   -4    9   27 o   23.235   7.9357 -25.0877   11.160 -2.095190 15.87137 
1 1 1   -4    9   28 o   76.815   7.2833   59.549   11.104 13.13582 14.56651 
1 1 1   -4    9   29 o  128.135   4.3908  165.246   11.243 -3.332886 8.781660 
1 1 1   -4    9   30 o   59.144   9.2375   36.793   11.248 30.42634 18.47498 
1 1 1   -4    9   31 o   23.259   11.297 -28.5978   16.596      ?      ? 
1 1 1   -4    9   32 o   40.013   9.3082   10.997   10.570 -25.17898 18.61637 
1 1 1   -4    9   33 o   47.625   9.9075   22.335   11.270 27.33302 19.81498 
1 1 1   -4    9   34 o   27.660   12.972 -17.7128   18.201      ?      ? 
1 1 1   -4    9   35 o  156.152   3.8419  246.199   11.985 -2.547318 7.683753 
1 1 1   -4    9   36 o   60.377   9.5944   40.016   11.318 -8.306389 19.18886 
1 1 1   -4    9   37 o   51.101   10.551   28.664   11.451 -2.380627 21.10110 
1 1 1   -4    9   38 o   84.460   6.9292   74.158   11.609 -5.211868 13.85833 
1 1 1   -4    9   39 o   30.661   9.4232  -5.0757   11.528 -10.44914 18.84637 
1 1 1   -4    9   40 o   37.252   9.9470   9.5304   10.661 -12.62345 19.89407 
1 1 1   -4   10    1 o  373.833   5.2399  1399.24   39.177      ?      ? 
1 1 1   -4   10    2 o  242.738   3.7017  589.583   17.971      ?      ? 
1 1 1   -4   10    3 o  280.786   2.9080  788.628   16.326 -6.226379 5.815942 
1 1 1   -4   10    4 o  304.031   3.1163  924.537   18.934 4.941528 6.232621 
1 1 1   -4   10    5 o  101.711   2.8453  102.318   5.3124 2.938377 5.690579 
1 1 1   -4   10    6 o  283.052   2.6343  802.756   14.038 -1.181580 5.268693 
1 1 1   -4   10    7 o  250.676   2.5151  623.363   11.713 5.673416 5.030189 
1 1 1   -4   10    8 o  400.425   3.5161  1600.06   26.368 3.371429 7.032118 
1 1 1   -4   10    9 o  264.311   2.6866  697.905   13.227 1.062622 5.373298 
1 1 1   -4   10   10 o  293.280   3.2918  860.438   19.308      ?      ? 
1 1 1   -4   10   11 f  598.490   4.1604  3583.83   49.782 -10.05963 8.320868 
1 1 1   -4   10   12 o  463.281   3.3101  2147.48   30.669 -2.667084 6.620119 
1 1 1   -4   10   13 o  137.398   4.3242  188.872   11.883      ?      ? 
1 1 1   -4   10   14 o  413.016   3.0727  1706.52   25.381 2.532318 6.145339 
1 1 1   -4   10   15 o  439.145   4.6045  1929.42   40.441      ?      ? 
1 1 1   -4   10   16 o  486.062   3.5331  2364.02   34.346 1.098358 7.066109 
1 1 1   -4   10   17 o  595.779   4.2185  3552.61   50.265 2.601868 8.436916 
1 1 1   -4   10   18 o  447.577   3.3896  2002.73   30.329 13.55508 6.779135 
1 1 1   -4   10   19 o  586.973   4.1986  3445.19   49.256 15.30701 8.397127 
1 1 1   -4   10   20 o  244.117   3.0415  596.433   14.842 1.940933 6.083022 
1 1 1   -4   10   21 o  108.063   5.5507  117.654   11.923 12.37891 11.10131 
1 1 1   -4   10   22 o  104.755   5.7312  109.961   12.002 -4.335419 11.46236 
1 1 1   -4   10   23 o   47.432   10.673   21.660   11.777 -12.83775 21.34549 
1 1 1   -4   10   24 o  263.901   2.9612  696.897   15.626 5.370056 5.922457 
1 1 1   -4   10   25 o  230.188   4.4486  530.527   20.480      ?      ? 
1 1 1   -4   10   26 o  120.340   4.8983  145.544   11.785 -1.613350 9.796550 
1 1 1   -4   10   27 o  145.259   4.0071  211.726   11.636 -1.164932 8.014217 
1 1 1   -4   10   28 o  158.379   3.6820  251.686   11.654 0.5297241 7.363992 
1 1 1   -4   10   29 o  122.066   4.5115  149.657   11.000 3.740311 9.022977 
1 1 1   -4   10   30 o  215.886   4.5556  467.135   19.670      ?      ? 
1 1 1   -4   10   31 o  205.029   3.1558  422.801   12.932 -7.815735 6.311641 
1 1 1   -4   10   32 f   68.035   7.6780   47.428   10.441 -0.1828003 15.35603 
1 1 1   -4   10   33 f   17.962   9.1064 -58.9556   16.575      ?      ? 
1 1 1   -4   10   34 o  174.475   3.6325  305.650   12.634 7.224030 7.265004 
1 1 1   -4   10   35 o  156.444   5.2277  246.397   16.357      ?      ? 
1 1 1   -4   10   36 o   42.083   10.360   16.122   11.181 14.33963 20.72068 
1 1 1   -4   10   37 o  140.021   4.2976  198.236   12.004 0.3165283 8.595128 
1 1 1   -4   10   38 f  134.526   4.5374  183.872   12.136 -2.759109 9.074707 
1 1 1   -4   10   39 o  116.659   5.0394  138.551   11.704 -7.684624 10.07877 
1 1 1   -4   10   40 o  109.100   6.7295  127.954   14.672 -6.101555 13.45894 
1 1 1   -4   11    1 o  195.524   3.3180  382.492   12.975      ?      ? 
1 1 1   -4   11    2 o  327.758   4.6895  1075.34   30.740      ?      ? 
1 1 1   -4   11    3 o  362.632   3.6243  1315.24   26.261 8.046600 7.248519 
1 1 1   -4   11    4 o  398.676   3.9611  1591.42   31.578 2.804474 7.922128 
1 1 1   -4   11    5 o  555.967   4.7259  3079.06   49.109 8.600403 9.451766 
1 1 1   -4   11    6 o  290.812   2.7105  849.344   14.825 -3.230835 5.421098 
1 1 1   -4   11    7 o  569.826   4.8505  3236.11   51.701 7.913086 9.700918 
1 1 1   -4   11    8 o  250.864   2.6330  623.832   12.157 5.809265 5.265987 
1 1 1   -4   11    9 o  371.048   5.4425  1378.06   40.389      ?      ? 
1 1 1   -4   11   10 o  152.397   2.4395  233.075   7.4107 -8.677795 4.878921 
1 1 1   -4   11   11 o  347.547   2.6391  1208.14   18.343 -4.528168 5.278188 
1 1 1   -4   11   13 o  619.099   4.3201  3836.01   53.491 1.325867 8.640272 
1 1 1   -4   11   14 o  683.365   4.7519  4674.56   64.945 3.206909 9.503768 
1 1 1   -4   11   15 o  477.061   3.4518  2276.72   32.924 -3.813416 6.903644 
1 1 1   -4   11   16 o  166.793   3.3256  279.098   11.005 3.762634 6.651112 
1 1 1   -4   11   18 o  380.455   4.4053  1448.13   33.520      ?      ? 
1 1 1   -4   11   19 o  386.118   3.1179  1491.36   24.073 9.555603 6.235857 
1 1 1   -4   11   20 o  340.827   2.9808  1162.35   20.318 4.753387 5.961680 
1 1 1   -4   11   21 o  200.443   3.2817  402.191   13.153 1.982147 6.563380 
1 1 1   -4   11   22 o   45.483   10.829   19.332   11.758 6.204193 21.65834 
1 1 1   -4   11   23 o  166.382   3.7899  277.431   12.605 -4.034027 7.579773 
1 1 1   -4   11   24 o  252.482   3.0418  638.201   15.359 -0.2214966 6.083596 
1 1 1   -4   11   25 o  264.432   2.9790  700.028   15.748 -10.67032 5.958007 
1 1 1   -4   11   26 o   88.388   6.3078   78.816   11.138 -2.895302 12.61566 
1 1 1   -4   11   27 o  205.600   3.0901  423.597   12.706 1.367874 6.180187 
1 1 1   -4   11   28 o   90.691   6.0301   83.384   10.895 -4.150734 12.06026 
1 1 1   -4   11   29 o   99.773   5.4881  101.272   10.879 -8.943810 10.97618 
1 1 1   -4   11   31 o   46.868   10.092   23.081   10.329 -3.236309 20.18327 
1 1 1   -4   11   32 o   98.582   5.4831   98.680   10.809 0.7298584 10.96613 
1 1 1   -4   11   33 o  175.173   5.0437  307.611   17.670      ?      ? 
1 1 1   -4   11   34 o   45.579   10.381   21.748   10.715 2.719212 20.76111 
1 1 1   -4   11   35 o  106.500   7.2200  114.585   15.379      ?      ? 
1 1 1   -4   11   36 o  152.255   3.9382  232.988   11.972 10.04175 7.876374 
1 1 1   -4   11   37 o   91.035   6.3719   84.344   11.556 10.34379 12.74385 
1 1 1   -4   11   38 o   75.529   7.7012   59.512   11.521 -4.771736 15.40236 
1 1 1   -4   11   39 o   78.475   7.1641   63.951   11.095 -12.25486 14.32828 
1 1 1   -4   12    1 o  289.704   3.0207  840.010   17.499 1.327148 6.041364 
1 1 1   -4   12    2 f  283.573   4.2018  804.736   23.830      ?      ? 
1 1 1   -4   12    3 o  497.411   4.8810  2478.94   48.555 1.886627 9.762031 
1 1 1   -4   12    4 o  210.462   2.5502  443.575   10.723 -9.977966 5.100476 
1 1 1   -4   12    5 o  223.796   2.3717  501.107   9.8608 -0.9349060E-01 4.743463 
1 1 1   -4   12    6 o  221.511   2.4617  486.824   10.006 4.531662 4.923368 
1 1 1   -4   12    7 o  316.252   2.9243  999.285   17.282 1.200897 5.848548 
1 1 1   -4   12    8 f  332.679   3.0363  1118.42   19.244 -11.26236 6.072691 
1 1 1   -4   12    9 o  431.343   3.7497  1882.47   30.961 -17.03418 7.499317 
1 1 1   -4   12   10 o  599.477   5.1064  3598.94   57.685 -0.4182129 10.21289 
1 1 1   -4   12   11 o  260.348   2.3379  678.025   12.173 -1.385559 4.675808 
1 1 1   -4   12   12 o  868.289   5.9775  7550.99  103.801 4.015869 11.95497 
1 1 1   -4   12   13 o  657.046   4.5714  4321.11   60.071 2.213745 9.142789 
1 1 1   -4   12   14 o  498.383   3.5696  2485.21   35.579 5.555969 7.139228 
1 1 1   -4   12   15 o  617.920   4.3386  3821.73   53.616 -0.7133179 8.677244 
1 1 1   -4   12   16 o  697.538   4.8721  4870.65   67.958 -5.904358 9.744123 
1 1 1   -4   12   17 o  364.955   3.0071  1323.54   21.833 -22.74609 6.014125 
1 1 1   -4   12   18 o  221.662   3.0176  491.096   13.325 -2.616058 6.035164 
1 1 1   -4   12   19 f   87.812   6.4726   76.421   11.264 -16.69831 12.94525 
1 1 1   -4   12   20 o  183.908   3.4580  338.586   12.711 0.8378601 6.915916 
1 1 1   -4   12   21 o  236.238   3.0041  558.222   14.190 5.991379 6.008263 
1 1 1   -4   12   22 o  135.325   4.4878  183.419   12.143 3.358765 8.975564 
1 1 1   -4   12   23 o  142.649   4.2758  203.886   12.197 2.040649 8.551506 
1 1 1   -4   12   24 o  160.668   5.3975  258.623   17.344      ?      ? 
1 1 1   -4   12   25 o  131.533   4.4414  173.306   11.671 7.578239 8.882814 
1 1 1   -4   12   26 o  106.506   5.1620  114.045   10.981 -0.1576614 10.32397 
1 1 1   -4   12   27 o  230.043   2.9170  530.451   13.415 -1.794006 5.833967 
1 1 1   -4   12   28 o  231.009   2.8940  534.712   13.361 2.638702 5.787995 
1 1 1   -4   12   29 o   78.531   9.7865   62.578   15.371      ?      ? 
1 1 1   -4   12   30 o   33.025   9.4144  -1.5460   11.165 -16.62046 18.82883 
1 1 1   -4   12   31 o   43.227   10.258   18.424   10.446 4.070889 20.51687 
1 1 1   -4   12   32 o  246.818   3.0367  612.817   14.989 2.717728 6.073466 
1 1 1   -4   12   34 o   21.224   7.3590 -29.0452   10.684 -0.8196640 14.71793 
1 1 1   -4   12   35 o  114.886   5.0703  136.738   11.410 -19.90844 10.14065 
1 1 1   -4   12   36 o   98.423   5.8112   98.616   11.422 6.322014 11.62238 
1 1 1   -4   12   37 o   35.125   10.188   6.1494   11.416 0.8016243 20.37562 
1 1 1   -4   12   38 o  104.124   5.5424  111.276   11.428 -5.782257 11.08483 
1 1 1   -4   12   39 o   39.227   10.005   12.775   10.785 -13.32230 20.00947 
1 1 1   -4   13    1 o  345.665   3.5158  1194.09   24.273 -9.651215 7.031687 
1 1 1   -4   13    2 o  255.893   3.8682  655.164   19.797      ?      ? 
1 1 1   -4   13    3 o  410.049   4.0756  1682.48   33.405 6.023346 8.151136 
1 1 1   -4   13    4 o  153.612   2.6572  236.266   8.0331 -0.7098999 5.314377 
1 1 1   -4   13    5 o  396.177   3.4648  1573.41   25.850 -2.099243 6.929599 
1 1 1   -4   13    6 o  501.521   4.2860  2525.43   40.658 -4.784180 8.572059 
1 1 1   -4   13    7 o  335.394   3.0511  1134.51   19.404 -8.681366 6.102217 
1 1 1   -4   13    8 o  607.138   5.1493  3698.86   59.131 -4.091064 10.29869 
1 1 1   -4   13    9 o  290.699   2.8688  844.550   15.631 0.8103333 5.737590 
1 1 1   -4   13   10 o  271.222   2.8415  748.092   14.707 -15.84293 5.683023 
1 1 1   -4   13   11 o  500.107   4.3353  2510.98   41.042 -5.020569 8.670556 
1 1 1   -4   13   12 o  518.673   3.6594  2691.87   37.961 -0.6107178 7.318891 
1 1 1   -4   13   13 o  210.317   2.4646  440.836   10.344 -11.55995 4.929132 
1 1 1   -4   13   14 o  221.709   2.5668  491.073   11.353 -3.823700 5.133548 
1 1 1   -4   13   15 o  258.352   2.6694  665.537   13.747 -9.655457 5.338783 
1 1 1   -4   13   16 o  231.770   2.8312  536.890   13.078 -2.465393 5.662400 
1 1 1   -4   13   17 o  168.853   3.4702  284.797   11.644 -2.661377 6.940433 
1 1 1   -4   13   18 o  520.402   3.7797  2710.34   39.330 -2.825378 7.559425 
1 1 1   -4   13   19 o  143.182   4.1342  205.792   11.791 4.691910 8.268340 
1 1 1   -4   13   20 o  211.863   3.0414  449.019   12.859 -1.371658 6.082741 
1 1 1   -4   13   21 f  183.331   3.3813  337.067   12.372 12.86644 6.762574 
1 1 1   -4   13   22 o  169.104   3.6328  286.418   12.286 1.872253 7.265652 
1 1 1   -4   13   23 o  332.067   2.9779  1103.88   19.777 -0.5593872E-01 5.955813 
1 1 1   -4   13   24 o  120.195   4.8850  145.637   11.695 -9.433922 9.769955 
1 1 1   -4   13   25 o   23.429   7.9693 -22.7933   10.927 0.9394989 15.93866 
1 1 1   -4   13   26 o  263.983   2.8294  698.173   14.937 -4.503540 5.658789 
1 1 1   -4   13   27 o   72.957   7.5385   55.949   10.464 -16.60636 15.07695 
1 1 1   -4   13   28 o  185.952   3.2150  347.105   11.944 -0.4071655 6.429906 
1 1 1   -4   13   29 o  317.304   2.9706  997.919   18.734 27.26337 5.941245 
1 1 1   -4   13   30 o   76.661   7.1017   59.441   10.687 20.51878 14.20342 
1 1 1   -4   13   31 o   70.255   7.8709   52.099   10.633 -9.958885 15.74188 
1 1 1   -4   13   32 o  182.407   3.6600  333.334   13.326 1.642746 7.320096 
1 1 1   -4   13   33 o   53.845   10.019   32.807   11.353 -17.10996 20.03880 
1 1 1   -4   13   34 o  167.105   3.5554  277.588   11.816 19.80341 7.110731 
1 1 1   -4   13   35 f  163.341   3.6520  269.490   11.870 -3.524139 7.304078 
1 1 1   -4   13   36 o   31.814   9.6479  -0.9581   11.167 8.005119 19.29571 
1 1 1   -4   13   37 o  121.921   4.8353  151.002   11.714 -0.7711182 9.670667 
1 1 1   -4   13   38 o   96.337   5.9104   93.419   11.281 7.626106 11.82081 
1 1 1   -4   13   39 f  122.634   4.4299  158.760   10.770 -11.70246 8.859828 
1 1 1   -4   14    1 o  196.653   2.6519  385.326   10.385 25.79459 5.303787 
1 1 1   -4   14    2 o  187.896   2.6713  352.694   10.025 -4.879791 5.342660 
1 1 1   -4   14    3 f  208.787   2.6221  436.861   10.908 -22.35452 5.244227 
1 1 1   -4   14    4 o  432.158   4.2975  1869.46   37.139 1.003174 8.595002 
1 1 1   -4   14    5 o  211.848   4.1252  449.005   17.478      ?      ? 
1 1 1   -4   14    6 o  431.483   3.7528  1862.28   30.430 0.4896240 7.505529 
1 1 1   -4   14    7 o  180.248   4.3642  325.052   15.733      ?      ? 
1 1 1   -4   14    8 o  520.106   4.4426  2727.52   44.052 -13.00690 8.885273 
1 1 1   -4   14    9 o  320.245   5.0494  1026.15   32.341      ?      ? 
1 1 1   -4   14   10 o  384.161   3.4814  1489.36   25.408 -10.91776 6.962844 
1 1 1   -4   14   11 o  419.055   3.7058  1758.47   29.366 -1.008270 7.411694 
1 1 1   -4   14   12 o  241.529   2.8497  588.036   13.143 -6.335892 5.699438 
1 1 1   -4   14   13 o  135.233   3.2546  184.136   8.7469 12.14360 6.509239 
1 1 1   -4   14   14 o  465.881   3.3896  2171.33   31.580 6.625763 6.779275 
1 1 1   -4   14   16 o  314.508   2.7911  989.495   17.553 9.250061 5.582293 
1 1 1   -4   14   17 o  422.576   3.2370  1786.86   27.352 -0.7167053 6.473963 
1 1 1   -4   14   18 o  184.286   4.5981  339.866   16.947      ?      ? 
1 1 1   -4   14   19 o  288.619   2.8328  833.298   16.341 -2.467621 5.665699 
1 1 1   -4   14   20 o  126.263   4.4861  159.457   11.303 -3.099609 8.972128 
1 1 1   -4   14   21 o  263.877   2.8645  697.124   15.108 1.913177 5.728948 
1 1 1   -4   14   22 o  338.116   2.9532  1144.50   19.969 1.864960 5.906410 
1 1 1   -4   14   23 o  228.683   3.0366  523.480   13.885 3.062958 6.073278 
1 1 1   -4   14   24 o  157.597   3.6661  249.044   11.554 -0.8981323E-01 7.332247 
1 1 1   -4   14   25 f  218.950   2.9377  480.242   12.862 4.914825 5.875348 
1 1 1   -4   14   26 o  139.454   3.8797  195.278   10.820 -1.085373 7.759492 
1 1 1   -4   14   27 o  124.786   4.2170  156.510   10.514 0.4598236 8.433956 
1 1 1   -4   14   28 o   57.398   14.580   35.080   16.775      ?      ? 
1 1 1   -4   14   30 o  207.194   2.9978  431.019   12.404 -0.9009857 5.995537 
1 1 1   -4   14   32 o  119.812   5.1592  144.387   12.316 8.334518 10.31830 
1 1 1   -4   14   33 o   51.248   9.0047   28.541   11.006 -33.58031 18.00939 
1 1 1   -4   14   34 o  106.342   5.3234  116.075   11.144 -8.927025 10.64672 
1 1 1   -4   14   35 o   41.871   9.6378   16.406   10.734 -20.57130 19.27566 
1 1 1   -4   14   36 o  123.046   4.7123  154.366   11.473 -4.617409 9.424529 
1 1 1   -4   14   37 o   99.913   5.6876  101.621   11.272 1.861343 11.37517 
1 1 1   -4   14   38 o   75.507   7.0999   57.996   10.667 7.597313 14.19988 
1 1 1   -4   15    1 o  854.523   8.3543  7326.77  142.730 9.735413 16.70866 
1 1 1   -4   15    2 o  280.265   3.0693  775.656   17.070 28.80029 6.138646 
1 1 1   -4   15    3 o  367.795   3.7169  1353.74   27.340 -2.990326 7.433819 
1 1 1   -4   15    4 o  419.121   4.1827  1755.89   35.016 10.23096 8.365380 
1 1 1   -4   15    5 o  458.697   3.9531  2107.85   34.199 -1.554199 7.906173 
1 1 1   -4   15    6 o  495.999   4.2517  2475.39   40.031 -8.656830 8.503310 
1 1 1   -4   15    7 o  541.684   4.6414  2924.71   47.088 6.262878 9.282736 
1 1 1   -4   15    8 o  768.903   6.4860  5945.44   94.565 -9.654114 12.97195 
1 1 1   -4   15    9 o  715.377   6.0511  5122.16   81.551 1.358276 12.10220 
1 1 1   -4   15   10 o  299.403   2.9530  895.277   16.708 1.511292 5.905941 
1 1 1   -4   15   11 o  515.051   4.4497  2651.44   43.164 2.088623 8.899481 
1 1 1   -4   15   12 f  528.545   4.5806  2791.07   45.557 2.819031 9.161150 
1 1 1   -4   15   13 o  236.931   3.0910  548.601   13.821 16.08887 6.182000 
1 1 1   -4   15   14 o  489.408   5.0026  2396.63   48.966      ?      ? 
1 1 1   -4   15   15 o  336.391   2.8238  1132.13   18.998 1.464813 5.647506 
1 1 1   -4   15   16 o  663.546   4.6511  4409.10   61.725 1.374451 9.302297 
1 1 1   -4   15   17 o  516.986   3.7680  2675.35   38.958 -1.118774 7.535914 
1 1 1   -4   15   18 o  334.929   2.8816  1122.65   19.294 1.090363 5.763145 
1 1 1   -4   15   19 o  222.052   4.2533  493.496   18.889      ?      ? 
1 1 1   -4   15   20 o   31.088   9.3854  -3.1937   10.724 -10.05552 18.77072 
1 1 1   -4   15   21 o  248.280   2.8854  617.166   14.325 4.170441 5.770723 
1 1 1   -4   15   22 o  139.290   5.8585  194.455   16.321      ?      ? 
1 1 1   -4   15   23 o  197.132   3.1085  388.624   12.242 -12.87196 6.217048 
1 1 1   -4   15   24 f  109.405   4.7912  120.151   10.479 -4.176033 9.582358 
1 1 1   -4   15   25 o  106.733   4.7802  114.558   10.204 0.9989090 9.560335 
1 1 1   -4   15   26 o  208.742   2.8812  436.335   12.022 7.792542 5.762426 
1 1 1   -4   15   27 o  118.266   4.5904  140.878   10.844 3.787071 9.180887 
1 1 1   -4   15   28 o  234.432   3.0485  548.033   14.264 17.96941 6.096933 
1 1 1   -4   15   29 o  168.490   3.3474  285.133   11.257 -0.1746063 6.694835 
1 1 1   -4   15   30 o   63.017   8.5158   42.471   10.426 -11.53867 17.03159 
1 1 1   -4   15   31 o  186.108   3.4424  346.136   12.789 16.11571 6.884884 
1 1 1   -4   15   32 o   95.920   5.8923   94.540   11.150 -5.657288 11.78457 
1 1 1   -4   15   33 o  160.851   3.6434  258.030   11.670 15.04666 7.286731 
1 1 1   -4   15   34 o   21.957   7.5784 -26.3834   10.754 1.650896 15.15673 
1 1 1   -4   15   35 o   78.969   7.0345   63.572   11.027 6.307877 14.06910 
1 1 1   -4   15   36 o   87.815   6.4278   79.105   11.200 1.292664 12.85563 
1 1 1   -4   15   37 o   62.455   9.1091   41.953   10.958 3.459423 18.21811 
1 1 1   -4   15   38 o  100.468   5.0667  104.205   10.107 -6.982071 10.13338 
1 1 1   -4   16    1 o  602.300   5.9179  3632.84   71.279 -8.067627 11.83586 
1 1 1   -4   16    2 o  440.523   4.3966  1942.11   38.733 3.867981 8.793267 
1 1 1   -4   16    3 f  599.173   5.0817  3611.92   57.799 -9.689087 10.16345 
1 1 1   -4   16    4 o  321.649   3.3691  1035.22   21.670 -5.479797 6.738161 
1 1 1   -4   16    5 o  448.382   3.9032  1991.99   32.520 11.70667 7.806445 
1 1 1   -4   16    6 o  415.702   3.6533  1738.34   28.767 -7.060822 7.306599 
1 1 1   -4   16    7 o  790.813   6.7548  6090.03   96.934 51.60382 13.50962 
1 1 1   -4   16    8 o  231.657   4.2283  536.885   19.590      ?      ? 
1 1 1   -4   16    9 o  237.860   2.6706  565.510   12.068 0.5967712 5.341121 
1 1 1   -4   16   10 f  357.497   3.3123  1280.21   22.358 -1.321808 6.624592 
1 1 1   -4   16   11 o  277.344   2.9824  779.242   15.787 -12.17059 5.964810 
1 1 1   -4   16   12 f   72.819   8.2639   61.467   10.314 -27.05440 16.52788 
1 1 1   -4   16   13 o  468.489   6.7810  2197.31   63.537      ?      ? 
1 1 1   -4   16   14 o  244.234   3.2566  603.971   15.127 -9.653336 6.513173 
1 1 1   -4   16   15 o  284.752   2.7496  800.922   15.552 -31.67563 5.499248 
1 1 1   -4   16   16 o  270.704   2.7937  733.586   15.117 8.793640 5.587444 
1 1 1   -4   16   17 o  206.381   2.9840  426.209   12.298 -0.3396454 5.968096 
1 1 1   -4   16   18 o  159.818   3.4392  254.308   10.951 -9.585144 6.878419 
1 1 1   -4   16   19 o  121.687   4.3483  147.685   10.552 -7.351799 8.696599 
1 1 1   -4   16   20 o  216.270   2.9371  468.388   12.693 1.948975 5.874139 
1 1 1   -4   16   21 f  421.476   3.2558  1777.80   27.434 8.204285 6.511639 
1 1 1   -4   16   22 o   37.896   9.7037   8.4990   10.565 17.77563 19.40747 
1 1 1   -4   16   23 o   99.159   5.1642   98.822   10.238 3.347893 10.32832 
1 1 1   -4   16   24 o   81.546   6.0204   67.028   9.8152 3.169327 12.04086 
1 1 1   -4   16   25 o  111.771   4.5126  125.484   10.042 14.58601 9.025294 
1 1 1   -4   16   26 o   93.669   5.4342   88.803   10.142 -2.644562 10.86846 
1 1 1   -4   16   28 o  141.488   3.8567  201.585   10.907 6.630386 7.713354 
1 1 1   -4   16   29 o   35.947   9.7995   8.9352   10.155 -5.228806 19.59898 
1 1 1   -4   16   30 o   31.188   9.4767  -3.3037   11.300 -8.858191 18.95343 
1 1 1   -4   16   31 o  117.530   4.9890  138.446   11.660 15.04432 9.978021 
1 1 1   -4   16   32 o   53.273   13.397   30.991   14.270      ?      ? 
1 1 1   -4   16   33 o   25.431   8.3964 -13.5458   10.638 -1.513115 16.79279 
1 1 1   -4   16   34 o  143.113   4.0199  206.958   11.351 -0.8829956 8.039886 
1 1 1   -4   16   35 o  109.200   5.2206  122.274   11.248 -5.632629 10.44129 
1 1 1   -4   16   36 o   39.551   10.306   14.004   10.675 1.113625 20.61224 
1 1 1   -4   16   37 o   95.022   5.6157   92.495   10.587 -8.956421 11.23135 
1 1 1   -4   17    1 o  296.767   3.2260  874.385   19.021 -18.79507 6.451910 
1 1 1   -4   17    2 f  731.389   7.1641  5361.90  104.793 -4.942810 14.32814 
1 1 1   -4   17    3 o  644.029   5.4893  4127.06   65.998 11.07922 10.97863 
1 1 1   -4   17    4 o  703.588   6.8817  4959.14   96.797 11.73492 13.76341 
1 1 1   -4   17    5 o  537.959   4.6151  2878.81   46.346 9.155029 9.230239 
1 1 1   -4   17    6 o  298.611   2.8178  909.715   16.233 -24.77676 5.635550 
1 1 1   -4   17    7 o  501.004   4.3340  2463.50   39.895 24.08224 8.668004 
1 1 1   -4   17    8 o  225.693   4.4556  509.620   20.112      ?      ? 
1 1 1   -4   17    9 o  443.124   6.3775  1965.60   56.520      ?      ? 
1 1 1   -4   17   10 o  487.364   4.2650  2367.97   38.942 5.350769 8.530042 
1 1 1   -4   17   11 o  300.414   5.1921  903.066   31.196      ?      ? 
1 1 1   -4   17   13 o  257.000   3.1591  662.017   15.402 -1.378387 6.318162 
1 1 1   -4   17   14 o  419.898   3.8712  1777.83   30.977 -10.52704 7.742333 
1 1 1   -4   17   15 o  535.638   4.6906  2886.44   47.715 -7.860535 9.381134 
1 1 1   -4   17   16 o  155.307   3.4237  240.335   10.603 -8.911194 6.847453 
1 1 1   -4   17   17 o  241.582   2.7283  583.294   13.159 -4.933441 5.456602 
1 1 1   -4   17   18 o   40.077   9.8870   14.453   9.7316 -0.8462029 19.77404 
1 1 1   -4   17   19 o  115.473   4.4872  132.956   10.335 -9.333618 8.974299 
1 1 1   -4   17   20 f  174.077   3.3269  303.053   11.574 -5.997299 6.653778 
1 1 1   -4   17   21 f  104.453   4.9600  110.023   10.317 9.717567 9.919983 
1 1 1   -4   17   22 f   47.129   9.7079   23.064   9.7811 6.338032 19.41575 
1 1 1   -4   17   23 o  231.607   2.7291  537.041   12.638 5.991974 5.458239 
1 1 1   -4   17   24 o   56.065   8.7151   33.321   9.5322 8.337166 17.43011 
1 1 1   -4   17   25 o   26.956   8.5574  -6.6725   9.6655 4.332142 17.11483 
1 1 1   -4   17   27 o  100.621   8.3408  102.580   16.785      ?      ? 
1 1 1   -4   17   28 o  141.332   3.7371  200.882   10.547 0.1629486 7.474256 
1 1 1   -4   17   29 o  139.854   3.9102  198.393   10.912 0.7472229E-01 7.820438 
1 1 1   -4   17   30 o  153.033   3.7930  234.577   11.524 2.578262 7.585984 
1 1 1   -4   17   31 o  156.763   3.5971  246.318   11.166 5.637665 7.194123 
1 1 1   -4   17   32 o  123.284   4.5141  153.025   11.018 0.8990173 9.028120 
1 1 1   -4   17   33 o   93.904   5.8442   89.536   10.899 2.672035 11.68830 
1 1 1   -4   17   34 o   44.277   9.8530   20.123   10.802 -18.53534 19.70600 
1 1 1   -4   17   36 o  116.899   4.7073  138.653   10.915 -2.709602 9.414571 
1 1 1   -4   17   37 f   42.053   9.5838   18.724   9.4330 11.91741 19.16752 
1 1 1   -4   18    1 o  753.758   7.4103  5696.19  111.682 4.008545 14.82059 
1 1 1   -4   18    2 o  380.333   3.8839  1426.32   29.234 37.14597 7.767711 
1 1 1   -4   18    3 o  265.226   2.6037  685.802   12.660 16.47934 5.207321 
1 1 1   -4   18    4 o  263.751   2.6336  693.367   12.961 2.601959 5.267216 
1 1 1   -4   18    5 o  415.743   3.6462  1738.41   28.751 -6.879700 7.292389 
1 1 1   -4   18    6 o  431.197   6.1834  1861.08   53.326      ?      ? 
1 1 1   -4   18    7 o  657.930   5.6556  4211.47   67.519 43.60785 11.31123 
1 1 1   -4   18    8 o  402.131   3.5968  1634.95   27.605 -14.48178 7.193563 
1 1 1   -4   18    9 o  400.872   3.6168  1624.98   27.622 -14.39825 7.233549 
1 1 1   -4   18   10 o  128.591   4.0975  153.119   9.7777 24.96571 8.194995 
1 1 1   -4   18   11 o  265.126   3.0413  715.391   15.226 -14.37659 6.082626 
1 1 1   -4   18   12 o  281.990   5.2914  795.889   29.843      ?      ? 
1 1 1   -4   18   13 o  899.499   7.6419  8080.96  128.545 11.94958 15.28387 
1 1 1   -4   18   14 o  121.491   5.3276  154.867   11.786 -14.95560 10.65511 
1 1 1   -4   18   15 o  273.169   3.8469  747.192   21.017 0.2407837E-01 7.693785 
1 1 1   -4   18   16 o  245.614   3.4107  602.607   15.672 1.461517 6.821312 
1 1 1   -4   18   17 o  263.484   2.6780  694.076   14.097 -5.710480 5.355925 
1 1 1   -4   18   18 o  528.451   3.7934  2797.27   40.090 4.903870 7.586831 
1 1 1   -4   18   19 o  239.419   2.7964  573.213   13.377 -5.147049 5.592794 
1 1 1   -4   18   20 o  149.371   3.5478  224.251   10.567 11.46228 7.095566 
1 1 1   -4   18   21 o  130.463   3.8411  170.498   10.015 -6.777771 7.682147 
1 1 1   -4   18   22 o  256.122   2.6468  657.004   13.558 1.002060 5.293535 
1 1 1   -4   18   23 o  144.004   3.5165  208.515   10.106 -8.111740 7.032960 
1 1 1   -4   18   24 o  206.702   2.8045  427.949   11.585 3.469330 5.609089 
1 1 1   -4   18   26 o  137.437   4.1895  189.357   11.490 1.724091 8.379027 
1 1 1   -4   18   27 o  130.543   4.0415  171.453   10.515 0.2279053 8.082973 
1 1 1   -4   18   28 o  135.497   3.7974  185.492   10.263 -6.541565 7.594751 
1 1 1   -4   18   30 o  126.623   4.0708  162.431   10.219 -4.147842 8.141526 
1 1 1   -4   18   31 o   81.890   6.2836   68.661   10.196 -3.623772 12.56724 
1 1 1   -4   18   32 o   99.004   5.3605  101.005   10.498 -8.439850 10.72092 
1 1 1   -4   18   33 o   72.279   7.4485   53.397   10.699 10.24091 14.89697 
1 1 1   -4   18   34 o   32.225   9.6851   2.0552   10.855 0.1498222 19.37020 
1 1 1   -4   18   35 o   47.065   9.4059   24.206   10.693 -25.41075 18.81184 
1 1 1   -4   18   36 f   96.626   5.8641   93.499   11.200 10.49342 11.72812 
1 1 1   -4   19    1 o  534.800   5.3344  2783.96   55.883 -71.29111 10.66886 
1 1 1   -4   19    2 o  386.878   3.9774  1497.74   30.771 -3.056793 7.954777 
1 1 1   -4   19    3 o  923.222   7.8938  8422.40  134.376 34.18939 15.78756 
1 1 1   -4   19    4 o  822.903   7.0266  6681.07  106.537 32.28674 14.05330 
1 1 1   -4   19    5 o  188.858   4.6455  356.862   17.547      ?      ? 
1 1 1   -4   19    6 o  406.168   5.9257  1651.10   48.136      ?      ? 
1 1 1   -4   19    7 o  273.237   4.7378  747.014   25.891      ?      ? 
1 1 1   -4   19    8 f  620.662   5.3135  3836.92   61.631 9.531372 10.62697 
1 1 1   -4   19    9 o  193.335   3.1915  398.887   11.260 -36.05045 6.382981 
1 1 1   -4   19   10 o  543.263   4.7197  2933.57   47.741 10.68683 9.439456 
1 1 1   -4   19   11 o  169.552   3.5832  285.926   11.148 2.591400 7.166376 
1 1 1   -4   19   12 o  122.345   4.8637  156.688   10.827 -14.27388 9.727325 
1 1 1   -4   19   13 o  334.723   3.3844  1114.43   21.151 5.718689 6.768826 
1 1 1   -4   19   14 o  181.213   3.6130  328.319   12.345 0.6899109 7.225931 
1 1 1   -4   19   15 o  140.215   4.4789  193.756   11.729 6.278839 8.957843 
1 1 1   -4   19   16 o  275.168   5.3760  758.465   29.586      ?      ? 
1 1 1   -4   19   17 o  397.377   3.7640  1593.60   28.372 -9.719574 7.528064 
1 1 1   -4   19   18 o  159.236   4.6017  253.920   14.655      ?      ? 
1 1 1   -4   19   19 o   25.041   8.0860 -12.0725   9.5043 7.902651 16.17200 
1 1 1   -4   19   20 o  218.036   2.7126  475.771   11.824 8.658691 5.425151 
1 1 1   -4   19   21 o  215.226   2.6873  463.951   11.565 0.4877014 5.374678 
1 1 1   -4   19   22 o  233.560   2.6524  546.659   12.387 -2.612289 5.304743 
1 1 1   -4   19   23 o  185.135   2.9188  343.395   10.798 2.539764 5.837651 
1 1 1   -4   19   25 o  156.843   5.0343  246.446   15.792      ?      ? 
1 1 1   -4   19   26 o  116.354   4.2619  137.138   9.8597 -10.24900 8.523881 
1 1 1   -4   19   27 o  116.609   4.1382  137.724   9.5964 -10.71341 8.276388 
1 1 1   -4   19   28 o   22.971   11.031 -21.0651   14.678      ?      ? 
1 1 1   -4   19   29 o   34.222   13.432   8.0003   13.394      ?      ? 
1 1 1   -4   19   30 o   19.445   6.7871 -30.3970   9.6955 -2.862951 13.57416 
1 1 1   -4   19   32 o  151.540   3.5897  231.069   10.840 1.934464 7.179459 
1 1 1   -4   19   33 o   44.174   10.047   19.372   10.319 13.57949 20.09306 
1 1 1   -4   19   34 o   31.771   9.4356   2.1491   10.345 -4.365906 18.87119 
1 1 1   -4   19   35 o  194.402   3.1901  378.270   12.313 6.451004 6.380176 
1 1 1   -4   19   36 o   44.210   9.8700   26.860   10.539 28.86934 19.73998 
1 1 1   -4   20    1 o  447.055   4.5494  1995.01   40.586 17.89243 9.098745 
1 1 1   -4   20    2 o  447.437   4.5293  1994.11   40.384 25.02664 9.058513 
1 1 1   -4   20    3 o  335.737   3.1038  1125.93   19.558 1.540771 6.207618 
1 1 1   -4   20    4 o  461.142   4.0222  2123.48   34.789 3.036530 8.044419 
1 1 1   -4   20    5 o  219.781   4.5198  483.371   19.867      ?      ? 
1 1 1   -4   20    6 o  327.408   3.1129  1055.46   18.745 13.10208 6.225739 
1 1 1   -4   20    7 o  200.811   2.9470  404.615   10.672 -1.362671 5.893993 
1 1 1   -4   20    8 o  361.534   5.5628  1308.35   40.223      ?      ? 
1 1 1   -4   20    9 o  453.534   4.0799  1988.24   33.273 34.85327 8.159772 
1 1 1   -4   20   10 f  675.836   5.7912  4532.11   72.657 17.97760 11.58237 
1 1 1   -4   20   11 o  305.147   3.1960  939.282   18.272 -7.053406 6.392083 
1 1 1   -4   20   12 o  351.143   3.4241  1243.57   22.648 -8.067505 6.848210 
1 1 1   -4   20   13 o  195.717   3.4603  387.978   12.503 -6.112289 6.920690 
1 1 1   -4   20   14 o  284.895   3.2267  817.318   17.255 -4.952759 6.453388 
1 1 1   -4   20   15 o  229.352   3.2600  528.712   14.029 -2.645416 6.519985 
1 1 1   -4   20   16 o  155.641   4.1865  247.298   12.082 -8.149460 8.373054 
1 1 1   -4   20   17 o   39.928   10.736   10.714   11.157 9.121723 21.47190 
1 1 1   -4   20   18 o  146.524   4.3393  211.136   11.691 7.230881 8.678627 
1 1 1   -4   20   19 o  153.764   3.2096  236.626   9.8593 -10.29175 6.419153 
1 1 1   -4   20   20 o  269.141   2.5870  725.498   13.922 -0.3847046 5.174040 
1 1 1   -4   20   21 o  383.296   2.9668  1472.58   22.741 -5.570526 5.933507 
1 1 1   -4   20   22 o  145.500   3.3744  212.611   9.8103 -5.288666 6.748780 
1 1 1   -4   20   23 o  240.695   2.7364  581.222   13.169 3.228271 5.472832 
1 1 1   -4   20   25 o  213.945   2.7808  459.320   11.892 -9.122360 5.561696 
1 1 1   -4   20   26 o  102.793   4.4920  106.797   9.2096 -7.656548 8.983948 
1 1 1   -4   20   27 o   57.820   7.9635   37.350   9.1588 -38.79126 15.92690 
1 1 1   -4   20   28 o  101.270   4.7986  103.719   9.6596 -0.7750702E-01 9.597264 
1 1 1   -4   20   29 o   93.609   5.1032   89.172   9.4856 -1.418686 10.20649 
1 1 1   -4   20   30 o   73.995   6.6260   55.936   9.7456 -3.036446 13.25205 
1 1 1   -4   20   31 o  161.246   3.3121  261.813   10.642 -1.965942 6.624155 
1 1 1   -4   20   32 o   31.114   9.3045   1.9987   9.9420 -0.4074402 18.60908 
1 1 1   -4   20   33 o   62.011   8.6004   42.530   10.247 -15.51321 17.20078 
1 1 1   -4   20   34 o  156.268   3.5377  245.323   11.033 5.925186 7.075491 
1 1 1   -4   20   35 o   36.820   9.9072   11.129   10.109 -1.481583 19.81449 
1 1 1   -4   21    1 o  438.042   4.4917  1921.31   39.350 -0.3506470E-01 8.983403 
1 1 1   -4   21    2 o  617.820   6.1282  3825.99   75.720 -6.494934 12.25641 
1 1 1   -4   21    3 f  416.378   6.0275  1735.69   50.194      ?      ? 
1 1 1   -4   21    4 o  266.248   4.5717  709.349   24.344      ?      ? 
1 1 1   -4   21    5 o  456.462   3.7899  2054.97   29.301 12.30634 7.579892 
1 1 1   -4   21    6 o  506.301   4.1391  2559.16   36.082 2.546906 8.278175 
1 1 1   -4   21    7 o  254.460   4.7616  648.067   24.233      ?      ? 
1 1 1   -4   21    8 o  276.213   2.9738  741.029   14.780 18.20328 5.947697 
1 1 1   -4   21    9 o  313.013   3.1439  986.129   18.323 -4.965881 6.287844 
1 1 1   -4   21   10 f  216.308   3.1198  471.915   12.126 -3.903702 6.239669 
1 1 1   -4   21   11 o  259.373   3.0895  678.373   14.735 -5.021118 6.178902 
1 1 1   -4   21   12 o  358.458   3.4513  1294.36   23.228 -6.487396 6.902664 
1 1 1   -4   21   13 o  137.533   4.4350  192.089   10.981 -4.350723 8.870088 
1 1 1   -4   21   14 o  164.564   4.0537  277.345   12.081 -8.926437 8.107471 
1 1 1   -4   21   15 o  323.448   3.4080  1038.80   20.375 6.996399 6.816048 
1 1 1   -4   21   16 o   24.355   8.2038 -18.8793   10.781 0.2113190 16.40752 
1 1 1   -4   21   17 o   41.897   10.598   14.811   10.524 6.676403 21.19597 
1 1 1   -4   21   18 o  114.032   5.3704  136.907   10.944 -12.93260 10.74071 
1 1 1   -4   21   19 o  365.447   3.5826  1335.73   24.331 2.426605 7.165113 
1 1 1   -4   21   20 o  114.641   5.3206  137.361   10.731 -9.650566 10.64114 
1 1 1   -4   21   21 o  102.515   4.3971  105.900   8.9984 -4.696739 8.794220 
1 1 1   -4   21   22 f  200.292   2.8107  402.362   11.258 -3.173141 5.621438 
1 1 1   -4   21   23 o  274.938   3.9032  756.714   21.463      ?      ? 
1 1 1   -4   21   24 o   81.737   5.6246   68.575   9.0717 -10.26945 11.24918 
1 1 1   -4   21   25 f  114.325   3.9679  132.243   9.0237 -9.141762 7.935822 
1 1 1   -4   21   26 o  135.678   4.8894  185.075   13.268      ?      ? 
1 1 1   -4   21   27 o  116.378   3.9776  136.504   9.2424 6.697441 7.955295 
1 1 1   -4   21   28 o   90.735   5.0524   84.633   9.0462 -9.943436 10.10476 
1 1 1   -4   21   29 o  184.801   3.9601  342.571   14.636      ?      ? 
1 1 1   -4   21   30 o   87.218   5.5232   77.794   9.5002 -2.334023 11.04646 
1 1 1   -4   21   31 o  119.612   4.3005  147.008   10.041 -10.55051 8.601040 
1 1 1   -4   21   32 o   86.168   5.9726   74.732   10.197 14.28940 11.94517 
1 1 1   -4   21   33 f  106.289   4.9348  115.250   10.250 -2.548294 9.869693 
1 1 1   -4   21   34 o   55.939   8.9237   33.983   10.054 -17.28222 17.84749 
1 1 1   -4   22    1 o  248.097   3.1175  617.163   15.336 3.762833 6.235028 
1 1 1   -4   22    2 o  511.551   5.1444  2619.73   52.600 -13.97626 10.28880 
1 1 1   -4   22    3 o  353.201   3.7543  1248.30   26.507 -5.355591 7.508534 
1 1 1   -4   22    4 o  448.107   3.7054  2009.38   28.651 0.1428528 7.410779 
1 1 1   -4   22    5 o  575.606   4.6664  3310.90   46.246 2.357849 9.332896 
1 1 1   -4   22    6 o  471.989   3.9408  2166.75   30.855 23.76938 7.881645 
1 1 1   -4   22    7 o  261.481   2.8418  688.130   13.721 -3.977875 5.683550 
1 1 1   -4   22    8 o  100.548   4.7264  103.046   8.1895 -3.521767 9.452806 
1 1 1   -4   22    9 f  239.767   2.9153  580.675   12.777 -5.563370 5.830541 
1 1 1   -4   22   10 o  361.054   3.4151  1307.39   22.981 -1.743835 6.830135 
1 1 1   -4   22   11 o  109.832   8.4706  121.155   18.607      ?      ? 
1 1 1   -4   22   12 o  312.853   3.2492  977.261   18.822 2.188690 6.498437 
1 1 1   -4   22   13 o  189.101   3.4927  360.926   12.133 -3.873108 6.985476 
1 1 1   -4   22   14 o  144.183   4.2707  207.518   11.168 1.414185 8.541364 
1 1 1   -4   22   15 o  290.314   3.2480  844.423   17.412 -0.7104492E-01 6.496012 
1 1 1   -4   22   16 o  223.844   3.2858  503.329   13.342 -1.510086 6.571536 
1 1 1   -4   22   17 o  313.464   3.2938  986.549   19.151 -1.660492 6.587520 
1 1 1   -4   22   18 o  128.059   4.6141  162.017   10.585 4.659882 9.228269 
1 1 1   -4   22   19 o   61.920   9.1204   42.082   9.9663 -9.131088 18.24073 
1 1 1   -4   22   20 o  272.996   3.2100  744.700   16.100 2.449554 6.419977 
1 1 1   -4   22   22 o  130.085   5.6106  169.691   14.597      ?      ? 
1 1 1   -4   22   23 o  144.833   3.2434  211.217   9.3448 -4.314362 6.486722 
1 1 1   -4   22   24 o   27.353   8.2983  -1.9450   8.3752 7.639805 16.59658 
1 1 1   -4   22   25 o   51.268   13.172   28.319   13.577      ?      ? 
1 1 1   -4   22   27 o   32.395   9.0608   6.5736   8.7639 -2.824976 18.12161 
1 1 1   -4   22   28 o  215.208   2.7583  464.668   11.797 -0.4154053 5.516611 
1 1 1   -4   22   29 o   83.322   5.7409   69.847   9.4569 8.633202 11.48177 
1 1 1   -4   22   30 o  161.473   3.2971  261.825   10.522 2.557220 6.594255 
1 1 1   -4   22   31 o   79.920   6.3349   65.610   9.9651 -0.1331024 12.66988 
1 1 1   -4   22   32 o  105.582   4.8131  109.836   10.000 17.42981 9.626288 
1 1 1   -4   22   33 o   75.868   6.6635   59.247   9.8575 -2.723038 13.32704 
1 1 1   -4   23    1 o  364.742   3.9559  1330.06   28.799 9.263031 7.911798 
1 1 1   -4   23    2 o  134.025   3.6421  183.440   9.2792 9.176804 7.284273 
1 1 1   -4   23    3 o  179.663   3.0984  322.798   11.064 -1.437286 6.196711 
1 1 1   -4   23    4 o  354.913   3.0402  1270.27   18.759 -5.579102 6.080307 
1 1 1   -4   23    5 o  255.659   2.6045  635.670   10.967 12.51224 5.208910 
1 1 1   -4   23    6 o  131.160   3.2576  163.277   6.8543 11.26588 6.515149 
1 1 1   -4   23    7 o  170.439   2.8634  286.573   7.6946 3.893280 5.726833 
1 1 1   -4   23    8 f  369.747   3.4070  1367.95   23.448 0.6105042 6.814059 
1 1 1   -4   23    9 o  230.820   2.9358  544.929   12.348 -12.60538 5.871515 
1 1 1   -4   23   10 o   87.233   8.0198  110.669   9.1418 -59.30755 16.03967 
1 1 1   -4   23   11 f  223.416   5.1901  500.021   23.191      ?      ? 
1 1 1   -4   23   12 o  156.269   3.6724  230.846   10.302 19.49297 7.344820 
1 1 1   -4   23   13 o  112.466   5.2518  138.724   9.9365 -20.56165 10.50361 
1 1 1   -4   23   14 o  139.633   4.1086  194.313   10.208 1.816376 8.217195 
1 1 1   -4   23   15 o  240.218   3.1475  580.994   13.773 -3.005707 6.295066 
1 1 1   -4   23   16 o  380.307   3.6004  1442.50   25.368 5.295898 7.200874 
1 1 1   -4   23   17 o  135.151   4.3391  185.580   10.340 -3.418274 8.678159 
1 1 1   -4   23   18 o   90.990   6.1713   83.904   9.7817 -0.9227371 12.34264 
1 1 1   -4   23   19 o  155.682   3.9031  244.919   10.667 -1.930359 7.806202 
1 1 1   -4   23   20 f  137.640   7.9054  190.308   21.762      ?      ? 
1 1 1   -4   23   21 o  170.951   3.8694  300.658   11.645 -9.203781 7.738842 
1 1 1   -4   23   22 o  158.354   3.8165  251.188   10.636 0.8733368 7.633075 
1 1 1   -4   23   23 o   73.867   7.3539   54.601   9.6443 2.763878 14.70789 
1 1 1   -4   23   24 o   81.936   8.0791   67.865   13.239      ?      ? 
1 1 1   -4   23   25 o   17.128   8.5444 -31.3321   11.930      ?      ? 
1 1 1   -4   23   26 o  310.094   2.6891  965.388   16.654 2.106140 5.378213 
1 1 1   -4   23   27 o  138.063   3.5684  194.521   9.6475 -12.32770 7.136901 
1 1 1   -4   23   28 o   52.663   8.8760   30.837   9.1501 -6.036747 17.75203 
1 1 1   -4   23   29 o   77.641   6.2471   63.405   9.3725 -10.80962 12.49419 
1 1 1   -4   23   30 o  103.936   4.8242  109.378   9.9025 1.726273 9.648475 
1 1 1   -4   23   31 o  154.659   3.4469  241.513   10.483 -2.235580 6.893875 
1 1 1   -4   23   32 o   80.080   6.2598   66.481   9.7322 -6.677666 12.51954 
1 1 1   -4   23   33 o   87.767   5.4610   77.533   9.3743 24.36884 10.92205 
1 1 1   -4   24    1 o  245.563   4.5375  603.744   22.285      ?      ? 
1 1 1   -4   24    2 o  362.670   3.8223  1317.56   27.724 -0.6010437 7.644537 
1 1 1   -4   24    3 o  339.410   3.6270  1153.19   24.607 -5.171234 7.254053 
1 1 1   -4   24    4 o  235.221   2.5018  548.655   9.8473 3.817871 5.003650 
1 1 1   -4   24    5 o  580.606   4.7476  3323.78   46.459 17.15149 9.495147 
1 1 1   -4   24    6 o  328.620   2.9545  1067.17   16.347 7.612976 5.908980 
1 1 1   -4   24    7 o  166.526   3.0889  247.470   9.0410 37.14340 6.177744 
1 1 1   -4   24    8 o  206.273   2.8909  422.729   10.755 3.487167 5.781750 
1 1 1   -4   24    9 o  314.255   3.1219  977.951   17.943 8.413147 6.243886 
1 1 1   -4   24   10 o  112.011   4.7899  138.615   8.8599 -21.45545 9.579739 
1 1 1   -4   24   11 o  238.968   2.9475  565.756   12.728 5.926514 5.895006 
1 1 1   -4   24   12 o  201.768   3.1330  416.548   11.316 -10.01387 6.266026 
1 1 1   -4   24   13 o  161.592   3.6139  257.411   10.108 5.195633 7.227797 
1 1 1   -4   24   14 o  268.077   3.0763  718.856   15.000 0.9913330 6.152609 
1 1 1   -4   24   15 o   68.471   8.5286   56.823   9.1960 -22.61192 17.05729 
1 1 1   -4   24   16 o  155.537   3.7740  248.881   10.222 -8.236755 7.547908 
1 1 1   -4   24   17 o   88.721   6.2869   83.868   9.5446 -10.00881 12.57373 
1 1 1   -4   24   19 o  268.995   5.5793  724.927   30.016      ?      ? 
1 1 1   -4   24   20 o  191.774   3.5264  368.475   11.976 1.466278 7.052744 
1 1 1   -4   24   21 o  217.856   3.2044  475.372   12.566 0.9000702 6.408791 
1 1 1   -4   24   22 o   63.371   8.7769   45.123   9.3445 -10.23866 17.55381 
1 1 1   -4   24   23 o  166.071   3.8207  292.407   11.068 -20.59161 7.641352 
1 1 1   -4   24   24 o  117.388   4.9366  149.040   9.9964 -17.77788 9.873229 
1 1 1   -4   24   25 o  230.404   2.5427  531.217   11.639 6.229568 5.085344 
1 1 1   -4   24   26 o   95.231   6.0706   91.365   11.562      ?      ? 
1 1 1   -4   24   27 o  165.435   3.0925  274.433   10.095 3.878830 6.184912 
1 1 1   -4   24   28 o  112.994   4.2788  129.852   9.4780 -3.602402 8.557658 
1 1 1   -4   24   29 o  100.376   4.8659  102.552   9.5927 -1.512459 9.731768 
1 1 1   -4   24   30 o   76.444   6.2254   57.140   9.2881 21.78034 12.45076 
1 1 1   -4   24   31 o  206.084   2.8394  426.920   11.592 -1.664825 5.678870 
1 1 1   -4   24   32 o   44.896   9.4481   22.417   9.0419 -2.472992 18.89618 
1 1 1   -4   25    1 o  355.376   5.3849  1265.21   38.274      ?      ? 
1 1 1   -4   25    2 o  253.625   3.0609  641.944   15.380 -5.737320 6.121842 
1 1 1   -4   25    3 o  362.705   3.8266  1314.48   27.711 16.33844 7.653169 
1 1 1   -4   25    4 o  364.897   3.1574  1306.64   19.293 13.02805 6.314851 
1 1 1   -4   25    5 o  183.360   2.8147  297.576   9.1521 45.11775 5.629332 
1 1 1   -4   25    6 o  329.493   2.9440  1100.95   16.755 -8.545807 5.888091 
1 1 1   -4   25    7 o   72.807   7.4566   73.239   7.5988 -42.70659 14.91314 
1 1 1   -4   25    8 o  119.453   3.9114  147.733   7.9052 -7.537758 7.822761 
1 1 1   -4   25    9 o  190.191   2.7957  353.505   8.3136 7.193726 5.591373 
1 1 1   -4   25   10 o  222.944   2.8908  507.628   11.578 -10.33165 5.781644 
1 1 1   -4   25   11 f   83.297   6.7151   84.472   8.2205 -28.84407 13.43012 
1 1 1   -4   25   12 o  254.498   2.9494  653.179   13.731 -4.275787 5.898824 
1 1 1   -4   25   13 o   73.911   8.7036   68.840   11.125 -49.66550 17.40718 
1 1 1   -4   25   14 o  349.165   3.3601  1229.90   21.892 -5.798309 6.720253 
1 1 1   -4   25   15 o   97.212   5.6905  100.892   9.0720 -10.61314 11.38110 
1 1 1   -4   25   16 o  139.821   4.0987  187.930   9.8103 11.72359 8.197430 
1 1 1   -4   25   17 f  142.555   7.0429  203.891   20.080      ?      ? 
1 1 1   -4   25   19 o  146.665   4.0335  222.570   10.168 -8.721786 8.067069 
1 1 1   -4   25   20 o  131.735   4.3498  173.135   9.7696 2.028198 8.699642 
1 1 1   -4   25   21 o   75.594   6.8314   51.342   9.3220 24.11185 13.66272 
1 1 1   -4   25   22 o  241.662   5.1436  585.411   24.860      ?      ? 
1 1 1   -4   25   23 f  240.065   3.1586  577.902   13.735 1.129395 6.317248 
1 1 1   -4   25   24 o   34.777   9.9940   6.1742   9.3933 9.934565 19.98808 
1 1 1   -4   25   25 o  218.860   5.7328  482.093   25.094      ?      ? 
1 1 1   -4   25   26 o  111.041   5.3484  129.747   10.166 -8.393837 10.69684 
1 1 1   -4   25   27 f   76.003   6.4151   61.602   9.3014 -14.02756 12.83015 
1 1 1   -4   25   28 o   52.156   9.0726   30.938   9.5196 -14.04926 18.14523 
1 1 1   -4   25   29 o  267.028   2.6654  713.090   14.118 8.484344 5.330708 
1 1 1   -4   25   30 o   59.071   8.2600   38.936   9.1793 -14.99122 16.52000 
1 1 1   -4   25   31 o   40.689   9.7347   16.610   9.2942 5.589691 19.46947 
1 1 1   -4   26    1 o  513.629   7.2666  2652.24   74.647      ?      ? 
1 1 1   -4   26    2 o  212.497   4.4205  452.444   18.787      ?      ? 
1 1 1   -4   26    3 o  133.258   2.6602  175.104   7.0253 14.99705 5.320313 
1 1 1   -4   26    4 o  392.267   5.7394  1543.70   45.027      ?      ? 
1 1 1   -4   26    5 o  232.267   2.5906  550.483   11.068 -11.72818 5.181121 
1 1 1   -4   26    6 o  291.786   2.7251  842.800   13.255 5.832306 5.450178 
1 1 1   -4   26    7 o  142.243   3.1831  199.298   8.0044 5.005402 6.366187 
1 1 1   -4   26    8 o  117.027   4.0132  146.006   7.6853 -13.29594 8.026492 
1 1 1   -4   26    9 o  267.974   2.7099  721.182   12.023 -1.485352 5.419860 
1 1 1   -4   26   10 o  354.537   3.1309  1264.40   18.869 -2.749329 6.261765 
1 1 1   -4   26   11 o  167.915   3.2601  297.813   9.3321 -17.91818 6.520175 
1 1 1   -4   26   12 o   94.024   5.2053   90.200   8.1372 -2.518639 10.41052 
1 1 1   -4   26   13 o   67.073   8.0160   53.461   8.2264 -18.64932 16.03209 
1 1 1   -4   26   14 o  113.899   4.9431  142.163   9.1388 -18.01718 9.886183 
1 1 1   -4   26   15 o  367.425   3.4806  1384.06   24.421 -31.71738 6.961217 
1 1 1   -4   26   16 o   60.947   8.7889   35.286   9.2079 8.675358 17.57789 
1 1 1   -4   26   17 o  150.440   3.8084  234.320   9.9023 -9.099731 7.616776 
1 1 1   -4   26   18 o  141.469   4.0674  207.236   9.8763 -8.536362 8.134824 
1 1 1   -4   26   19 o  362.165   3.5040  1305.36   23.295 8.750427 7.008015 
1 1 1   -4   26   20 o   20.129   6.9991 -26.8553   9.6129 -0.3474770 13.99826 
1 1 1   -4   26   21 o  238.813   5.2858  572.520   25.246      ?      ? 
1 1 1   -4   26   22 o  138.046   4.0916  195.888   9.8692 -5.980835 8.183125 
1 1 1   -4   26   23 o  115.998   4.9942  137.967   9.6908 -3.315186 9.988474 
1 1 1   -4   26   24 o  176.411   6.3957  313.941   22.565      ?      ? 
1 1 1   -4   26   25 o   22.987   7.9323 -19.8191   9.6468 7.748600 15.86451 
1 1 1   -4   26   26 f  107.094   5.5244  115.720   10.200 1.087814 11.04884 
1 1 1   -4   26   27 o   67.410   8.9531   50.183   10.183 -7.339565 17.90620 
1 1 1   -4   26   28 o   52.558   10.282   25.996   10.074 17.31110 20.56454 
1 1 1   -4   26   29 o   75.009   6.4466   61.262   8.9449 -17.49371 12.89314 
1 1 1   -4   26   30 o  114.993   4.2898  127.868   9.5078 19.19187 8.579695 
1 1 1   -4   27    1 o  297.319   4.7567  886.194   28.285      ?      ? 
1 1 1   -4   27    2 o  160.178   4.7059  257.205   15.076      ?      ? 
1 1 1   -4   27    3 o  323.952   2.9870  1059.07   18.397 -7.778839 5.974050 
1 1 1   -4   27    4 o  203.878   2.3773  416.224   9.2955 -0.1018677 4.754578 
1 1 1   -4   27    5 o  258.172   2.4713  674.183   10.970 -5.279602 4.942563 
1 1 1   -4   27    6 o  227.904   2.4499  507.669   9.1050 9.253128 4.899751 
1 1 1   -4   27    7 o   85.880   4.5943   77.730   5.7685 -6.415459 9.188576 
1 1 1   -4   27    8 o  283.125   2.7300  794.622   12.708 5.048828 5.460035 
1 1 1   -4   27    9 o  326.759   2.9379  1070.31   16.165 -0.3855286 5.875775 
1 1 1   -4   27   10 o  207.054   2.7105  437.388   8.7999 -6.315430 5.421069 
1 1 1   -4   27   11 o  124.078   3.9896  159.127   8.0944 -6.439095 7.979209 
1 1 1   -4   27   13 o  505.191   7.2620  2560.52   73.374      ?      ? 
1 1 1   -4   27   14 o  182.847   3.2481  310.653   10.257 25.77261 6.496193 
1 1 1   -4   27   15 o  300.020   3.1019  904.971   17.098 -0.9136047 6.203829 
1 1 1   -4   27   16 o  302.133   3.1384  920.153   17.408 -3.586700 6.276788 
1 1 1   -4   27   17 o  229.197   3.1423  515.585   12.520 9.928223 6.284615 
1 1 1   -4   27   19 o  539.046   7.7557  2921.67   83.613      ?      ? 
1 1 1   -4   27   21 o   34.684   8.9986   10.215   8.9267 -10.89195 17.99730 
1 1 1   -4   27   22 o   84.975   8.1181   91.342   9.5199 -31.13481 16.23610 
1 1 1   -4   27   23 o  155.753   4.1227  254.184   10.630 -11.46552 8.245457 
1 1 1   -4   27   24 o  184.829   3.6111  334.642   11.371 8.946396 7.222202 
1 1 1   -4   27   25 o  160.809   4.0925  259.083   11.121 1.618942 8.184973 
1 1 1   -4   27   26 f  170.515   3.9945  292.251   11.636 1.010468 7.988910 
1 1 1   -4   27   27 o   37.434   10.347   10.165   9.9133 6.551785 20.69321 
1 1 1   -4   27   28 o  129.229   4.8159  161.311   10.477 10.05879 9.631805 
1 1 1   -4   27   29 o   52.914   10.198   29.202   9.3240 4.465580 20.39650 
1 1 1   -4   28    1 f   97.809   6.7481   96.306   13.200      ?      ? 
1 1 1   -4   28    2 o  212.838   4.2885  454.225   18.255      ?      ? 
1 1 1   -4   28    3 o  154.587   2.8603  239.260   8.8433      ?      ? 
1 1 1   -4   28    4 o  153.202   2.3509  217.201   6.8646 38.44142 4.701779 
1 1 1   -4   28    5 o  482.706   3.9774  2339.14   33.072 -0.4330444 7.954735 
1 1 1   -4   28    6 o  187.028   2.4123  353.279   7.3494 -2.840363 4.824625 
1 1 1   -4   28    7 o  189.604   2.4856  356.806   7.5558 2.793716 4.971169 
1 1 1   -4   28    8 o  190.765   2.8151  380.311   9.5324 -18.30072 5.630262 
1 1 1   -4   28    9 o   71.850   7.5553   96.062   6.2756 -67.37653 15.11051 
1 1 1   -4   28   10 o  227.654   2.8059  464.802   10.641 42.25259 5.611828 
1 1 1   -4   28   11 o  247.657   4.8746  614.336   24.145      ?      ? 
1 1 1   -4   28   12 o  214.399   2.9638  470.737   11.372 -10.23972 5.927554 
1 1 1   -4   28   13 o  217.826   3.0601  471.077   11.504 4.334473 6.120286 
1 1 1   -4   28   14 o  165.524   3.4541  268.524   9.4287 6.772232 6.908242 
1 1 1   -4   28   15 o  205.769   3.0875  421.263   11.043 3.354309 6.175006 
1 1 1   -4   28   16 o  115.315   4.7809  142.359   9.1478 -11.82820 9.561714 
1 1 1   -4   28   17 o  246.997   3.2038  610.079   14.240 0.8757935 6.407661 
1 1 1   -4   28   18 o  234.347   3.3687  569.924   14.114 -18.23970 6.737424 
1 1 1   -4   28   19 o   19.813   6.9215 -24.8579   9.1440 1.467184 13.84301 
1 1 1   -4   28   20 o  172.241   3.7336  292.693   10.510 5.553177 7.467232 
1 1 1   -4   28   21 o  177.824   3.7209  319.014   11.135 -1.629028 7.441815 
1 1 1   -4   28   22 f  242.204   3.2952  578.747   13.816 9.167068 6.590324 
1 1 1   -4   28   23 o  104.843   5.8065  113.229   9.6506 -2.977074 11.61302 
1 1 1   -4   28   24 o  200.769   3.6062  398.963   12.144 5.815033 7.212411 
1 1 1   -4   28   25 o   52.765   9.3975   36.717   10.251 -26.67680 18.79502 
1 1 1   -4   28   26 o  148.807   4.3656  228.216   10.870 -6.000549 8.731199 
1 1 1   -4   28   27 o  194.296   3.5730  370.238   11.872 8.924683 7.146004 
1 1 1   -4   28   28 o  121.165   6.0944  163.348   10.402 -14.83232 12.18888 
1 1 1   -4   29    1 o  230.796   4.3969  534.857   20.296      ?      ? 
1 1 1   -4   29    2 o  105.639   6.5331  112.584   13.803      ?      ? 
1 1 1   -4   29    4 o  442.411   6.5561  1968.76   58.010      ?      ? 
1 1 1   -4   29    5 o  279.094   4.4719  780.305   24.962      ?      ? 
1 1 1   -4   29    6 o  291.360   4.6600  850.059   27.155      ?      ? 
1 1 1   -4   29    7 o  218.091   2.7917  475.865   12.177      ?      ? 
1 1 1   -4   29    8 o  146.782   3.3455  221.845   8.1520 -7.463104 6.690996 
1 1 1   -4   29    9 o  186.709   3.0042  373.577   9.4725 -24.76324 6.008364 
1 1 1   -4   29   10 o  257.748   2.8641  677.328   13.324 -10.13564 5.728104 
1 1 1   -4   29   11 f   45.544   8.1198   25.682   7.0249 -17.76752 16.23966 
1 1 1   -4   29   12 o  246.481   2.8789  599.896   12.520 7.915146 5.757725 
1 1 1   -4   29   13 f   56.882   8.6860   42.867   8.2822 -25.81811 17.37203 
1 1 1   -4   29   14 o  266.468   3.1161  703.311   14.653 8.037476 6.232175 
1 1 1   -4   29   15 o  201.334   3.1723  398.278   11.162 7.735443 6.344668 
1 1 1   -4   29   16 o  285.126   3.1466  815.305   16.372 0.5092773 6.293104 
1 1 1   -4   29   17 f  140.722   7.4239  201.076   20.894      ?      ? 
1 1 1   -4   29   18 o  187.993   3.5595  360.580   11.010 -5.016632 7.119079 
1 1 1   -4   29   19 o  172.549   3.7018  287.340   10.205 10.96837 7.403590 
1 1 1   -4   29   20 o   37.276   9.4937   13.587   9.0191 -7.844913 18.98742 
1 1 1   -4   29   21 o  174.261   3.7174  305.362   10.714 -0.1355286 7.434754 
1 1 1   -4   29   22 o  140.749   4.4477  199.097   9.9968 0.6476898 8.895432 
1 1 1   -4   29   23 o  165.179   4.1309  279.325   10.884 -4.534134 8.261864 
1 1 1   -4   29   24 o  143.032   4.4668  197.018   10.533 11.40659 8.933699 
1 1 1   -4   29   25 f  139.525   4.6970  205.562   10.553 -11.25368 9.393989 
1 1 1   -4   29   26 o  108.935   5.2548  113.716   9.8230 11.00249 10.50957 
1 1 1   -4   30    1 o  191.702   4.4187  368.597   16.941      ?      ? 
1 1 1   -4   30    3 o   82.461   4.7003   68.365   7.7519      ?      ? 
1 1 1   -4   30    5 o   78.570   4.2218   67.196   6.0692 -20.03505 8.443594 
1 1 1   -4   30    6 o   86.083   3.8705   77.419   5.0701 -5.511864 7.741084 
1 1 1   -4   30    7 f   79.476   4.3993   62.629   5.1805 1.492020 8.798573 
1 1 1   -4   30    8 o  132.933   2.9517  168.446   5.9928 10.04810 5.903332 
1 1 1   -4   30    9 o  156.296   2.8666  246.368   6.7606 -1.573013 5.733258 
1 1 1   -4   30   10 o  197.132   2.7115  393.831   8.3692 -3.482788 5.423049 
1 1 1   -4   30   12 o  137.328   6.2908  189.423   17.278      ?      ? 
1 1 1   -4   30   13 o  228.842   2.9299  465.929   11.175 45.71616 5.859787 
1 1 1   -4   30   14 o  174.858   3.5151  335.520   10.359 -31.99384 7.030270 
1 1 1   -4   30   15 o   56.467   8.1789   47.664   8.2457 -39.36548 16.35775 
1 1 1   -4   30   16 o  189.519   3.3059  352.799   10.356 7.431381 6.611850 
1 1 1   -4   30   17 o  145.514   7.4774  214.174   21.761      ?      ? 
1 1 1   -4   30   18 o   72.745   9.1435   75.763   8.9705 -38.35492 18.28695 
1 1 1   -4   30   19 o   77.871   8.4903   73.037   9.1210 -19.96530 16.98050 
1 1 1   -4   30   20 o   92.490   6.5139   91.148   9.1404 -7.179550 13.02780 
1 1 1   -4   30   21 o  160.185   3.9780  250.297   10.139 8.095673 7.956028 
1 1 1   -4   30   22 o   57.113   9.9410   37.157   9.4563 -8.473087 19.88194 
1 1 1   -4   30   23 o  186.107   3.8687  349.645   11.541 -1.048706 7.737440 
1 1 1   -4   30   24 o   95.019   6.1389   86.792   9.5597 8.520760 12.27788 
1 1 1   -4   30   25 o  125.275   4.8490  158.991   9.5738 -0.7434921 9.698029 
1 1 1   -4   31    1 f  291.650   4.6994  854.523   27.412      ?      ? 
1 1 1   -4   31    2 f  265.874   3.0358  708.242   16.143      ?      ? 
1 1 1   -4   31    3 o  291.750   3.2187  852.994   18.781      ?      ? 
1 1 1   -4   31    4 o  220.933   2.8660  488.960   12.664      ?      ? 
1 1 1   -4   31    5 o  117.929   2.4738  139.477   5.8276 -7.871506 4.947674 
1 1 1   -4   31    6 o  107.166   4.8014  115.854   10.291      ?      ? 
1 1 1   -4   31    7 o  151.122   2.8157  216.033   7.8234 22.21889 5.631373 
1 1 1   -4   31    8 o  190.382   3.0254  362.982   11.519      ?      ? 
1 1 1   -4   31    9 o  287.056   4.6422  825.636   26.651      ?      ? 
1 1 1   -4   31   10 o  228.602   2.6292  495.031   10.745 26.92404 5.258453 
1 1 1   -4   31   11 o   68.164   5.8958   39.978   6.4049 17.10658 11.79161 
1 1 1   -4   31   12 o  194.336   2.9050  383.695   9.7632 -4.847809 5.810056 
1 1 1   -4   31   13 o  291.194   2.8510  852.734   13.758 -1.154755 5.702013 
1 1 1   -4   31   14 o   68.604   8.0347   68.838   6.7046 -37.28094 16.06948 
1 1 1   -4   31   15 o  148.816   3.5441  224.725   8.7197 -3.015091 7.088212 
1 1 1   -4   31   16 o  209.612   3.1715  451.222   11.363 -9.054794 6.343043 
1 1 1   -4   31   17 o  245.735   3.1672  604.724   13.450 1.366592 6.334499 
1 1 1   -4   31   18 o  122.811   4.6848  139.552   9.0702 16.52575 9.369687 
1 1 1   -4   31   19 o  137.379   4.3689  187.354   9.2832 3.082336 8.737703 
1 1 1   -4   31   20 o   96.889   6.2891   99.897   9.0336 -7.077377 12.57810 
1 1 1   -4   31   21 o  249.197   3.3048  615.657   14.154 6.573822 6.609629 
1 1 1   -4   31   22 o  137.587   4.5724  191.716   10.148 -1.059753 9.144835 
1 1 1   -4   31   23 o  167.565   3.8117  272.162   10.397 10.24899 7.623423 
1 1 1   -4   31   24 f   97.635   5.8366  104.353   8.8635 -9.143890 11.67314 
1 1 1   -4   32    3 f  241.915   2.9824  585.699   14.430      ?      ? 
1 1 1   -4   32    4 f  194.085   2.8414  376.982   11.030      ?      ? 
1 1 1   -4   32    6 o  208.843   2.3706  422.751   9.4797 22.62875 4.741243 
1 1 1   -4   32    7 o  120.877   3.0301  140.715   6.9339 14.94228 6.060239 
1 1 1   -4   32    8 o   82.290   4.9259   72.084   6.8137 -8.558701 9.851859 
1 1 1   -4   32    9 o  219.348   2.5413  462.749   8.8336 14.51106 5.082590 
1 1 1   -4   32   10 o  339.548   3.0040  1188.46   17.891 -19.10333 6.007900 
1 1 1   -4   32   11 o  204.452   2.7352  427.923   8.7926 -7.064758 5.470313 
1 1 1   -4   32   12 o  192.834   2.8458  378.686   8.2597 -4.849121 5.691511 
1 1 1   -4   32   13 o  127.773   3.9804  173.731   6.8198 -10.44329 7.960808 
1 1 1   -4   32   14 f  246.118   2.8852  609.045   11.026 -0.7183380 5.770443 
1 1 1   -4   32   15 o  239.007   2.9151  564.410   10.704 5.478973 5.830299 
1 1 1   -4   32   16 o  156.739   3.6020  246.691   7.9935 -0.1559448E-01 7.204055 
1 1 1   -4   32   17 o  131.845   4.4388  171.753   8.9250 3.862610 8.877692 
1 1 1   -4   32   18 o  190.852   3.6068  378.147   10.929 -10.23851 7.213522 
1 1 1   -4   32   19 o   92.199   6.3155   84.891   8.6729 2.099045 12.63091 
1 1 1   -4   32   20 o   44.381   9.5979   22.640   8.6891 -9.334030 19.19582 
1 1 1   -4   32   21 o  194.630   3.4215  372.026   11.078 7.678772 6.843042 
1 1 1   -4   32   22 o  113.405   5.4386  148.769   9.0662 -24.91961 10.87729 
1 1 1   -4   33    1 o  183.946   2.8414  339.135   10.453      ?      ? 
1 1 1   -4   33    3 o  130.068   3.2268  169.698   8.3939      ?      ? 
1 1 1   -4   33    4 o   56.762   6.5171   32.639   7.3985      ?      ? 
1 1 1   -4   33    5 o  111.098   3.5305  123.903   7.8446      ?      ? 
1 1 1   -4   33    7 f  101.031   3.2534  106.036   6.0828 -9.734512 6.506794 
1 1 1   -4   33    8 o  111.085   3.0547  121.646   5.2227 2.864212 6.109464 
1 1 1   -4   33    9 o   95.517   4.0372   86.241   5.5812 8.061188 8.074421 
1 1 1   -4   33   10 o  214.731   2.6780  476.351   9.1375 -10.83139 5.356010 
1 1 1   -4   33   11 o  161.177   3.1182  268.024   7.2180 -6.537338 6.236468 
1 1 1   -4   33   12 o  200.593   2.8352  412.975   8.6142 -7.340942 5.670428 
1 1 1   -4   33   13 o  160.361   3.3042  263.005   7.2740 -4.316711 6.608373 
1 1 1   -4   33   14 o   72.253   7.5704   59.126   6.4108 -10.46516 15.14071 
1 1 1   -4   33   15 o  211.656   3.0276  445.955   9.3954 2.390335 6.055197 
1 1 1   -4   33   16 f  102.552   5.3623  111.108   6.9938 -6.384415 10.72459 
1 1 1   -4   33   17 o  193.047   3.3129  378.391   9.2510 -3.302124 6.625854 
1 1 1   -4   33   18 o   64.800   8.8175   45.531   8.3640 -4.903160 17.63494 
1 1 1   -4   33   19 o  180.739   3.4886  321.124   10.185 6.412155 6.977227 
1 1 1   -4   33   20 o   68.094   8.2061   56.070   7.8572 -17.73762 16.41222 
1 1 1   -4   34    1 o  135.987   3.0184  185.262   8.2092      ?      ? 
1 1 1   -4   34    2 o  155.947   2.8928  243.614   9.0223      ?      ? 
1 1 1   -4   34    3 o  165.745   2.7954  275.194   9.2665      ?      ? 
1 1 1   -4   34    4 o   82.960   4.4450   69.177   7.3751      ?      ? 
1 1 1   -4   34    5 o  155.449   2.7971  242.259   8.6962      ?      ? 
1 1 1   -4   34    6 o  314.194   3.3740  991.318   21.202      ?      ? 
1 1 1   -4   34    7 o  165.615   2.3264  273.182   7.2610 3.459427 4.652741 
1 1 1   -4   34    8 o  212.984   2.4948  451.698   9.7541 3.782700 4.989631 
1 1 1   -4   34    9 o  141.242   2.7392  193.043   5.8346 7.473175 5.478367 
1 1 1   -4   34   10 o  171.867   2.8407  292.734   8.0681 3.779800 5.681400 
1 1 1   -4   34   11 f  154.414   3.0789  240.802   6.6570 -1.535004 6.157763 
1 1 1   -4   34   12 o  168.774   3.1329  293.304   7.3090 -6.235901 6.265831 
1 1 1   -4   34   13 o  173.413   3.2848  329.742   7.8940 -22.40544 6.569695 
1 1 1   -4   34   14 o  217.566   2.9665  484.005   9.4839 -6.231720 5.932946 
1 1 1   -4   34   15 o  165.730   3.3987  279.931   7.6821 -3.568848 6.797414 
1 1 1   -4   34   16 o  220.332   3.0389  501.594   10.092 -10.14522 6.077757 
1 1 1   -4   34   17 o  252.548   2.9576  645.218   11.775 -3.630371 5.915164 
1 1 1   -4   34   18 o  126.250   4.2397  155.574   8.0733 5.938728 8.479328 
1 1 1   -4   35    1 f  217.731   2.8183  475.169   12.273      ?      ? 
1 1 1   -4   35    2 o  100.678   3.7378  101.783   7.5263      ?      ? 
1 1 1   -4   35    3 o  211.059   2.7547  446.498   11.628      ?      ? 
1 1 1   -4   35    4 o  217.365   2.7640  473.610   12.016      ?      ? 
1 1 1   -4   35    5 o  263.250   2.9895  694.936   15.739      ?      ? 
1 1 1   -4   35    8 o  141.331   4.3220  200.941   12.217      ?      ? 
1 1 1   -4   35    9 o  195.761   2.8401  386.754   10.968 -4.674347 5.680125 
1 1 1   -4   35   10 o   79.591   5.1776   64.912   7.8562 -2.021912 10.35527 
1 1 1   -4   35   11 o  190.708   3.1429  355.516   11.594 20.24451 6.285897 
1 1 1   -4   35   12 o  176.738   3.5178  313.531   11.966 2.312485 7.035591 
1 1 1   -4   35   13 o   80.178   6.5752   63.863   10.169 9.024933 13.15041 
1 1 1   -4   35   14 o  133.341   4.1414  176.139   10.706 9.131897 8.282877 
1 1 1   -4   35   15 o  103.143   4.3636   99.514   6.0558 9.721474 8.727192 
1 1 1   -4   35   16 f  201.046   2.8546  411.879   8.6457 -4.261368 5.709164 
1 1 1   -4   36    1 o   63.671   5.6111   40.988   7.1453      ?      ? 
1 1 1   -4   36    2 f  104.526   3.4018  109.704   7.1116      ?      ? 
1 1 1   -4   36    3 o  282.984   3.1274  803.592   17.700      ?      ? 
1 1 1   -4   36   10 o  162.487   3.1299  260.513   9.8300 11.06163 6.259769 
1 1 1   -4   36   11 o  112.117   4.1021  125.304   8.9306 5.101036 8.204142 
1 1 1   -4   36   12 o  213.971   3.1509  459.286   13.307 3.048447 6.301766 
1 1 1   -4   36   13 o  213.094   3.1686  458.976   13.406 -2.297577 6.337214 
1 1 1   -4   37    1 o  360.165   3.7723  1302.75   27.173      ?      ? 
1 1 1   -3    0    3 o  435.858   4.2513  1898.88   37.003 -0.000000 0.000000 
1 1 1   -3    0    4 o  368.172   3.6253  1356.48   26.681 -0.000000 0.000000 
1 1 1   -3    0    5 o  610.655   5.9258  3733.54   72.342 -0.000000 0.000000 
1 1 1   -3    0    6 o  366.616   3.6375  1344.38   26.646 -0.000000 0.000000 
1 1 1   -3    0    7 o   53.400   5.8009   31.569   5.3266 -0.000000 0.000000 
1 1 1   -3    0    8 o  273.785   2.9390  750.271   16.084 -0.000000 0.000000 
1 1 1   -3    0    9 o  389.300   3.9076  1516.75   30.407 -0.000000 0.000000 
1 1 1   -3    0   10 o  301.491   3.2100  909.994   19.342 -0.000000 0.000000 
1 1 1   -3    0   11 o  332.467   3.4825  1106.24   23.141 -0.000000 0.000000 
1 1 1   -3    0   12 o  107.773   3.9933  117.720   8.4671 -0.000000 0.000000 
1 1 1   -3    0   13 o  396.515   4.0675  1574.42   32.241 -0.000000 0.000000 
1 1 1   -3    0   14 o  671.746   6.5736  4523.30   88.277 -0.000000 0.000000 
1 1 1   -3    0   15 o  275.705   3.3704  759.477   18.540 -0.000000 0.000000 
1 1 1   -3    0   16 o  425.746   4.4063  1814.80   37.500 -0.000000 0.000000 
1 1 1   -3    0   17 o  191.142   3.8475  366.658   14.669 -0.000000 0.000000 
1 1 1   -3    0   18 o  619.545   6.1673  3843.35   76.370 -0.000000 0.000000 
1 1 1   -3    0   19 o  703.005   6.9440  4950.04   97.584 -0.000000 0.000000 
1 1 1   -3    0   20 o   96.955   8.1380   98.515   15.091 -0.000000 0.000000 
1 1 1   -3    0   21 o  261.760   4.2403  683.232   22.084 -0.000000 0.000000 
1 1 1   -3    0   22 o  216.404   4.7573  466.626   20.364 -0.000000 0.000000 
1 1 1   -3    0   23 o   29.533   13.402   1.7241   17.725 -0.000000 0.000000 
1 1 1   -3    0   24 o  302.590   4.4744  918.354   27.008 -0.000000 0.000000 
1 1 1   -3    0   25 o   47.034   15.856   30.198   18.345 -0.000000 0.000000 
1 1 1   -3    0   26 o  262.158   4.4730  690.739   23.330 -0.000000 0.000000 
1 1 1   -3    0   27 o   70.456   14.762   63.200   17.990 -0.000000 0.000000 
1 1 1   -3    0   28 o  124.676   7.6118  163.367   17.919 -0.000000 0.000000 
1 1 1   -3    0   29 o  137.048   6.5014  191.425   17.275 -0.000000 0.000000 
1 1 1   -3    0   30 o   52.009   15.506   38.287   15.959 -0.000000 0.000000 
1 1 1   -3    0   31 o   48.178   15.011   34.830   15.619 -0.000000 0.000000 
1 1 1   -3    0   32 o  243.798   4.3577  598.896   21.175 -0.000000 0.000000 
1 1 1   -3    0   34 o   70.168   12.640   58.695   15.180 -0.000000 0.000000 
1 1 1   -3    0   35 o   24.317   11.335 -11.1339   15.640 -0.000000 0.000000 
1 1 1   -3    0   36 o   16.228   8.5473 -56.3000   15.936 -0.000000 0.000000 
1 1 1   -3    0   37 o   21.600   10.751 -25.4431   15.753 -0.000000 0.000000 
1 1 1   -3    0   38 o  273.188   4.3481  748.508   23.619 -0.000000 0.000000 
1 1 1   -3    0   39 o  106.715   8.3637  120.261   17.297 -0.000000 0.000000 
1 1 1   -3    0   40 o   44.278   15.736   30.599   16.835 -0.000000 0.000000 
1 1 1   -3    0   41 o   74.239   12.620   65.270   16.232 -0.000000 0.000000 
1 1 1   -3    1    2 o  501.507   6.8827  2517.69   69.034      ?      ? 
1 1 1   -3    1    3 o  405.570   3.4282  1647.76   26.272 -1.628571 6.856361 
1 1 1   -3    1    4 o  319.909   2.2483  1023.51   14.384 2.751099 4.496689 
1 1 1   -3    1    5 o  252.528   1.8613  637.439   9.3974 4.969467 3.722646 
1 1 1   -3    1    6 o  424.586   2.9459  1802.11   25.003 8.150177 5.891851 
1 1 1   -3    1    7 o  347.853   2.4720  1207.72   17.170 12.26685 4.944037 
1 1 1   -3    1    8 o  404.834   2.8458  1638.93   23.035 5.445007 5.691501 
1 1 1   -3    1    9 o  275.048   2.1139  755.990   11.620 6.412720 4.227715 
1 1 1   -3    1   10 o  218.522   1.9380  477.611   8.4694 -3.363144 3.875979 
1 1 1   -3    1   11 o   24.232   6.6160   0.7361   5.3075 -12.53558 13.23207 
1 1 1   -3    1   12 o  260.034   2.1691  676.310   11.279 3.213684 4.338264 
1 1 1   -3    1   13 o  167.803   2.2346  281.705   7.4992 1.770615 4.469200 
1 1 1   -3    1   14 o  424.390   3.0575  1802.49   25.951 0.9387817 6.114994 
1 1 1   -3    1   15 f  201.553   2.3778  406.408   9.5849 -0.3841095 4.755625 
1 1 1   -3    1   16 o  282.868   2.4698  800.443   13.972 1.848053 4.939611 
1 1 1   -3    1   17 o  441.923   3.2421  1953.23   28.647 -7.223175 6.484211 
1 1 1   -3    1   18 o  460.649   3.4065  2123.14   31.384 0.7337646 6.813058 
1 1 1   -3    1   19 o   97.898   5.3808   96.788   10.445 10.59590 10.76160 
1 1 1   -3    1   20 o  170.484   3.3656  290.664   11.472 3.383713 6.731146 
1 1 1   -3    1   21 o  429.822   4.7214  1848.48   40.587      ?      ? 
1 1 1   -3    1   23 o   79.426   7.9748   63.533   12.634 5.011292 15.94953 
1 1 1   -3    1   25 f  426.431   3.3639  1820.21   28.689 0.1747437 6.727772 
1 1 1   -3    1   26 o  333.452   3.0808  1113.01   20.546 1.348053 6.161644 
1 1 1   -3    1   27 o  209.063   3.4294  437.544   14.336 -5.798508 6.858791 
1 1 1   -3    1   29 o  135.915   4.4951  185.754   12.200 -6.507645 8.990217 
1 1 1   -3    1   30 o  156.192   3.8458  244.928   12.004 -6.988647 7.691528 
1 1 1   -3    1   31 o  126.438   4.5370  160.817   11.471 -3.307930 9.074035 
1 1 1   -3    1   34 o   94.704   5.8076   91.026   10.944 -12.45406 11.61514 
1 1 1   -3    1   35 o   23.033   7.8459 -25.9331   11.011 -6.281803 15.69181 
1 1 1   -3    1   36 o   50.355   10.235   27.492   11.354 -15.83247 20.47071 
1 1 1   -3    1   37 o  150.135   3.9884  227.287   11.968 -6.047333 7.976821 
1 1 1   -3    1   38 o  111.948   5.4833  127.988   12.265 -3.907494 10.96661 
1 1 1   -3    1   39 o   44.968   10.326   18.921   11.923 -21.36172 20.65244 
1 1 1   -3    1   40 o   61.765   9.7876   42.150   11.834 -10.31194 19.57525 
1 1 1   -3    1   41 o   90.324   6.3501   83.319   11.459 4.614372 12.70023 
1 1 1   -3    2    2 o  352.532   4.8885  1243.42   34.467      ?      ? 
1 1 1   -3    2    3 o  569.669   4.7981  3225.54   51.020 10.84113 9.596213 
1 1 1   -3    2    4 f  269.777   1.9441  727.810   10.489 -2.674316 3.888258 
1 1 1   -3    2    5 o  132.857   1.5124  176.401   4.0144 1.940704 3.024769 
1 1 1   -3    2    6 o  585.866   4.0219  3433.07   47.113 8.293762 8.043856 
1 1 1   -3    2    7 o  399.456   2.7972  1595.98   22.346 -2.763153 5.594478 
1 1 1   -3    2    8 o  697.035   4.7855  4863.35   66.713 1.302368 9.571054 
1 1 1   -3    2    9 f  466.056   3.9833  2173.42   35.004 0.2709045 7.966524 
1 1 1   -3    2   10 o  251.194   2.0583  631.103   10.340 -2.489700 4.116597 
1 1 1   -3    2   11 o  191.355   2.4359  355.901   8.7185 -14.94019 4.871880 
1 1 1   -3    2   12 f  214.872   2.0639  461.835   8.8682 -5.223221 4.127840 
1 1 1   -3    2   13 o  257.048   2.2059  661.022   11.340 -1.950165 4.411757 
1 1 1   -3    2   14 o  140.337   2.7193  196.993   7.6306 -4.033630 5.438593 
1 1 1   -3    2   15 o  200.731   2.4021  403.118   9.6428 -1.880966 4.804131 
1 1 1   -3    2   16 o  205.373   2.4955  421.966   10.249 -2.643478 4.990997 
1 1 1   -3    2   17 o  205.038   2.6580  420.506   10.892 0.6780701 5.316001 
1 1 1   -3    2   18 o  384.480   3.0004  1478.42   23.067 -5.819855 6.000751 
1 1 1   -3    2   19 o  180.591   3.1136  326.287   11.245 -2.119781 6.227205 
1 1 1   -3    2   20 o  279.645   2.7695  782.387   15.482 -0.9092712 5.538989 
1 1 1   -3    2   21 o  253.078   4.3185  640.784   21.858      ?      ? 
1 1 1   -3    2   23 f  333.687   3.0814  1113.54   20.554 6.001160 6.162759 
1 1 1   -3    2   24 o  241.832   3.2054  584.953   15.499 5.838089 6.410742 
1 1 1   -3    2   25 o  149.364   4.3721  223.660   13.049 -5.528244 8.744206 
1 1 1   -3    2   26 o   35.530   10.502   1.6104   12.631 5.735432 21.00329 
1 1 1   -3    2   27 o  144.952   4.4757  210.867   12.938 -13.68729 8.951417 
1 1 1   -3    2   28 o  163.458   4.0106  267.644   13.107 4.423935 8.021128 
1 1 1   -3    2   29 f   76.990   7.7865   60.114   11.913 10.89066 15.57309 
1 1 1   -3    2   30 o   35.341   9.9886   3.7166   11.412 -11.93363 19.97715 
1 1 1   -3    2   31 o  214.642   3.1324  461.878   13.444 -5.380646 6.264839 
1 1 1   -3    2   32 o   41.786   10.779   14.010   12.176 -11.96147 21.55848 
1 1 1   -3    2   33 f  161.419   5.7053  261.731   18.419      ?      ? 
1 1 1   -3    2   34 o  114.556   4.8903  132.616   11.197 -4.773834 9.780600 
1 1 1   -3    2   35 o  179.676   3.5280  324.232   12.675 -5.382111 7.055983 
1 1 1   -3    2   36 o   85.966   6.8123   76.688   11.552 -15.16873 13.62469 
1 1 1   -3    2   37 o  143.456   5.9150  207.490   16.971      ?      ? 
1 1 1   -3    2   38 o   27.348   8.9781 -14.3542   11.947 5.343658 17.95613 
1 1 1   -3    2   39 o  218.286   3.2957  479.713   14.383 -1.604736 6.591353 
1 1 1   -3    2   40 o   40.367   10.208   11.268   11.780 20.10889 20.41522 
1 1 1   -3    2   41 f   82.973   6.8315   70.589   11.310 -2.422997 13.66310 
1 1 1   -3    3    2 o  418.703   5.7681  1754.32   48.302      ?      ? 
1 1 1   -3    3    3 o  599.123   5.0437  3570.34   56.475 10.35699 10.08734 
1 1 1   -3    3    4 o  607.352   5.1065  3682.02   58.241 4.700806 10.21292 
1 1 1   -3    3    5 o  478.010   3.2985  2285.60   31.532 3.203217 6.597035 
1 1 1   -3    3    6 o  342.591   2.4245  1173.03   16.602 6.984650 4.848973 
1 1 1   -3    3    7 o  639.237   4.3903  4088.47   56.121 6.517883 8.780654 
1 1 1   -3    3    8 o  247.023   1.9609  610.019   9.6840 3.999512 3.921848 
1 1 1   -3    3    9 o  853.985   5.8576  7306.63  100.025 10.74524 11.71527 
1 1 1   -3    3   10 o  230.954   1.9914  531.546   9.1752 -11.87941 3.982755 
1 1 1   -3    3   11 o  189.368   2.0339  358.727   7.7024 3.511887 4.067830 
1 1 1   -3    3   12 f  162.559   2.1828  264.259   7.0945 2.650558 4.365587 
1 1 1   -3    3   13 o  378.424   2.7724  1432.82   20.980 -3.240295 5.544831 
1 1 1   -3    3   14 o  243.674   2.2693  594.066   11.056 0.7818756 4.538589 
1 1 1   -3    3   15 o  197.407   3.5072  389.860   13.847      ?      ? 
1 1 1   -3    3   16 o  153.604   2.9584  236.225   9.0819 5.664795 5.916895 
1 1 1   -3    3   17 o  349.309   2.7816  1218.75   19.413 -11.69635 5.563169 
1 1 1   -3    3   18 f  171.742   3.1154  294.838   10.679 15.17012 6.230775 
1 1 1   -3    3   19 o  287.475   2.7045  826.693   15.549 -0.7835999 5.408947 
1 1 1   -3    3   20 o   97.142   5.4160   94.005   10.479 12.34348 10.83194 
1 1 1   -3    3   21 o  266.584   4.0568  710.967   21.630      ?      ? 
1 1 1   -3    3   23 o  502.577   3.7496  2528.17   37.687 1.617828 7.499159 
1 1 1   -3    3   24 o  352.515   3.0985  1243.56   21.844 -5.011444 6.197021 
1 1 1   -3    3   25 o  155.776   4.1840  242.893   13.029 2.831055 8.367990 
1 1 1   -3    3   26 o  202.100   3.5081  408.977   14.179 1.762115 7.016219 
1 1 1   -3    3   27 o  167.701   3.9610  281.785   13.280 -0.1074524 7.921932 
1 1 1   -3    3   28 o  202.844   4.8005  412.188   19.475      ?      ? 
1 1 1   -3    3   29 o  271.533   2.9898  738.304   16.234 -5.005371 5.979650 
1 1 1   -3    3   30 o   75.251   7.9291   58.581   11.517 14.33705 15.85813 
1 1 1   -3    3   31 o   40.732   10.566   13.972   11.300 2.143284 21.13191 
1 1 1   -3    3   32 o  108.318   6.1327  119.950   13.010 27.20267 12.26537 
1 1 1   -3    3   34 o  181.221   3.4536  330.068   12.510 -0.2217102 6.907122 
1 1 1   -3    3   35 o   24.142   11.631 -24.8446   16.644      ?      ? 
1 1 1   -3    3   36 o   23.343   7.9876 -27.9498   11.650 5.488529 15.97529 
1 1 1   -3    3   37 o  115.648   5.1495  135.296   11.910 -0.5154953 10.29898 
1 1 1   -3    3   38 o   53.012   10.645   30.762   11.920 8.753872 21.29026 
1 1 1   -3    3   39 o   91.274   6.6312   85.312   12.088 5.339912 13.26242 
1 1 1   -3    3   40 o   43.510   10.369   16.271   11.922 20.96959 20.73790 
1 1 1   -3    3   41 o  122.119   4.8081  151.215   11.700 -3.483604 9.616179 
1 1 1   -3    4    1 o  771.438   10.565  5964.23  163.000      ?      ? 
1 1 1   -3    4    2 o  327.885   3.2325  1072.86   21.158 12.59579 6.465055 
1 1 1   -3    4    3 f  409.689   4.0055  1679.17   32.816 3.958923 8.010944 
1 1 1   -3    4    4 o  467.503   3.9573  2173.23   34.585 7.995148 7.914638 
1 1 1   -3    4    5 o  281.167   2.0452  788.672   11.481 -11.76889 4.090323 
1 1 1   -3    4    6 o  247.879   2.6933  614.521   13.352      ?      ? 
1 1 1   -3    4    7 o  397.057   2.7863  1577.06   22.126 -0.6646118 5.572616 
1 1 1   -3    4    8 o  193.642   1.7951  375.036   6.9517 2.569000 3.590128 
1 1 1   -3    4    9 o  121.492   2.1850  147.654   5.3087 0.2540588E-02 4.370062 
1 1 1   -3    4   10 o  288.140   2.2156  830.459   12.766 -2.699921 4.431117 
1 1 1   -3    4   11 o  338.061   2.5066  1143.24   16.945 -3.718353 5.013260 
1 1 1   -3    4   12 o  277.655   2.2581  770.798   12.536 8.082428 4.516288 
1 1 1   -3    4   13 o  516.003   3.6179  2664.20   37.319 -8.763336 7.235739 
1 1 1   -3    4   14 o  180.868   2.3304  327.126   8.4120 -1.214935 4.660780 
1 1 1   -3    4   16 o  277.749   2.4957  771.485   13.861 5.269562 4.991324 
1 1 1   -3    4   17 o  136.176   3.4935  185.920   9.4952 5.988586 6.986969 
1 1 1   -3    4   18 o  454.860   3.3612  2069.94   30.577 -1.952545 6.722410 
1 1 1   -3    4   19 o  411.946   3.1419  1697.80   25.886 0.2182312 6.283776 
1 1 1   -3    4   20 o  595.101   4.2219  3541.72   50.219 13.01727 8.443873 
1 1 1   -3    4   22 o  562.371   5.7603  3165.32   64.788      ?      ? 
1 1 1   -3    4   24 o  140.600   4.6177  199.113   12.912 -12.38774 9.235466 
1 1 1   -3    4   25 o  349.677   3.0857  1223.39   21.574 5.062714 6.171353 
1 1 1   -3    4   26 o  229.140   3.2700  525.625   14.984 1.525574 6.540082 
1 1 1   -3    4   27 o   95.774   6.6674   93.288   12.620 -10.70849 13.33485 
1 1 1   -3    4   28 o  213.110   3.3711  454.981   14.341 0.3269196 6.742180 
1 1 1   -3    4   29 o  143.560   4.3022  207.911   12.286 -11.18112 8.604377 
1 1 1   -3    4   30 f  121.113   4.9087  148.355   11.824 -9.892235 9.817414 
1 1 1   -3    4   31 o  316.435   2.9316  1004.03   18.549 -4.871735 5.863168 
1 1 1   -3    4   32 o   31.371   13.883  -5.1681   17.235      ?      ? 
1 1 1   -3    4   33 o   33.074   10.070   0.1905   12.033 1.335983 20.14041 
1 1 1   -3    4   34 o   39.686   10.331   12.888   11.068 -7.996075 20.66232 
1 1 1   -3    4   35 o  116.006   5.1982  135.203   12.056 3.789291 10.39633 
1 1 1   -3    4   36 o  106.089   5.5442  114.633   11.738 8.171410 11.08843 
1 1 1   -3    4   37 o  136.916   6.3887  189.001   17.494      ?      ? 
1 1 1   -3    4   38 o   53.112   10.633   30.573   11.991 11.55692 21.26621 
1 1 1   -3    4   39 o   42.156   10.430   16.035   11.700 -14.83225 20.85975 
1 1 1   -3    4   40 f   83.988   7.0207   72.741   11.784 3.761177 14.04149 
1 1 1   -3    4   41 o   91.776   6.2146   85.893   11.403 -3.028748 12.42923 
1 1 1   -3    5    1 o  608.508   8.3457  3707.45  101.568      ?      ? 
1 1 1   -3    5    2 f  658.920   6.3858  4342.74   84.074 17.15820 12.77153 
1 1 1   -3    5    3 f  273.235   2.7670  746.740   15.121 -1.698883 5.534034 
1 1 1   -3    5    4 o  598.285   5.0274  3586.77   56.817 -2.330200 10.05489 
1 1 1   -3    5    5 o  605.223   4.1606  3658.20   50.284 19.80310 8.321099 
1 1 1   -3    5    6 o  521.930   3.6009  2724.47   37.577 -8.062927 7.201882 
1 1 1   -3    5    7 o  315.910   2.7935  1002.00   16.736 -3.672333 5.587020 
1 1 1   -3    5    8 o  352.429   2.5272  1242.54   17.813 -1.570190 5.054432 
1 1 1   -3    5    9 f  556.294   3.8492  3098.26   42.826 0.1299438 7.698462 
1 1 1   -3    5   10 o  334.662   2.4637  1120.55   16.489 -0.9750977 4.927324 
1 1 1   -3    5   11 o  362.035   2.6428  1311.53   19.136 1.497711 5.285579 
1 1 1   -3    5   12 o  108.672   3.7157  116.714   7.3360 -3.280655 7.431378 
1 1 1   -3    5   13 o  289.802   2.3445  840.324   13.587 2.186249 4.689044 
1 1 1   -3    5   14 o  244.804   2.2917  599.069   11.213 -4.838577 4.583410 
1 1 1   -3    5   15 o  362.202   2.7697  1312.13   20.058 -4.333099 5.539410 
1 1 1   -3    5   16 o  274.305   2.4865  752.656   13.639 -0.4920654 4.972970 
1 1 1   -3    5   17 o  355.094   2.8141  1261.29   19.984 4.991577 5.628244 
1 1 1   -3    5   18 o  636.146   4.4671  4050.03   56.831 4.851563 8.934233 
1 1 1   -3    5   19 o  143.798   3.7377  208.456   10.667 12.21004 7.475459 
1 1 1   -3    5   20 o  406.713   3.1871  1651.89   25.897 15.98526 6.374290 
1 1 1   -3    5   21 o  352.760   3.0714  1242.18   21.641 15.42688 6.142784 
1 1 1   -3    5   22 o  173.160   3.8390  299.544   13.271 14.71844 7.677982 
1 1 1   -3    5   23 o  283.752   4.2338  805.607   24.027      ?      ? 
1 1 1   -3    5   24 o  216.437   3.2745  468.846   14.174 -2.575409 6.548912 
1 1 1   -3    5   25 o  173.927   3.8420  302.940   13.361 -5.058960 7.683966 
1 1 1   -3    5   26 o  105.177   5.9792  111.275   12.555 -5.305923 11.95831 
1 1 1   -3    5   27 o   36.248   10.617   3.5059   12.587 2.064270 21.23365 
1 1 1   -3    5   28 o  399.711   3.2715  1600.92   26.149 -0.5953979 6.543046 
1 1 1   -3    5   29 o   84.735   7.0055   72.932   11.785 -5.453056 14.01106 
1 1 1   -3    5   30 o  216.686   3.1103  470.868   13.454 -1.248306 6.220563 
1 1 1   -3    5   31 o   30.048   9.3803  -5.2137   11.107 5.980513 18.76053 
1 1 1   -3    5   33 f   20.646   7.2552 -38.5454   11.512 1.018684 14.51050 
1 1 1   -3    5   34 o  115.231   4.8521  134.179   11.153 -0.6938705 9.704194 
1 1 1   -3    5   36 f   87.709   6.5426   79.983   11.287 -15.69563 13.08524 
1 1 1   -3    5   37 o  138.194   4.3842  190.669   12.062 15.66647 8.768340 
1 1 1   -3    5   38 f   60.714   9.8772   40.095   11.742 5.261101 19.75442 
1 1 1   -3    5   39 o   98.944   5.9844  100.033   11.825 2.676270 11.96871 
1 1 1   -3    5   40 o   90.590   6.5482   84.767   11.641 -22.24133 13.09641 
1 1 1   -3    5   41 o   89.587   6.1321   81.868   10.969 -1.710022 12.26414 
1 1 1   -3    6    1 o  540.760   7.4297  2926.96   80.353      ?      ? 
1 1 1   -3    6    2 f  228.036   2.3823  516.154   10.806 15.82381 4.764645 
1 1 1   -3    6    3 o  362.015   3.5670  1305.46   25.739 18.05347 7.134096 
1 1 1   -3    6    4 o  630.790   5.3063  3975.97   62.946 3.110657 10.61253 
1 1 1   -3    6    5 o  277.068   2.4860  777.786   13.211 -13.21130 4.972005 
1 1 1   -3    6    6 o  138.488   1.7647  191.867   4.8863 -1.787888 3.529388 
1 1 1   -3    6    7 o  281.613   2.1073  793.206   11.868 -2.306061 4.214678 
1 1 1   -3    6    8 o  315.666   2.3151  996.698   14.614 -2.537537 4.630264 
1 1 1   -3    6    9 o  388.868   2.7662  1512.86   21.511 4.855835 5.532323 
1 1 1   -3    6   10 o  175.575   1.9768  308.510   6.9357 8.807709 3.953631 
1 1 1   -3    6   11 o  280.154   2.2243  783.431   12.439 -9.785950 4.448593 
1 1 1   -3    6   12 o  483.208   3.4014  2336.02   32.859 9.359161 6.802758 
1 1 1   -3    6   13 o  137.229   2.6575  188.839   7.2747 5.251968 5.315064 
1 1 1   -3    6   15 o  279.884   2.4560  783.839   13.744 3.918579 4.912043 
1 1 1   -3    6   16 o  396.294   2.9819  1571.15   23.630 -0.9217834 5.963823 
1 1 1   -3    6   17 o  299.650   2.6524  898.273   15.894 4.897125 5.304883 
1 1 1   -3    6   18 o  317.450   2.7765  1008.11   17.628 1.660400 5.552938 
1 1 1   -3    6   19 o  231.872   3.3430  538.841   14.639 1.222733 6.686006 
1 1 1   -3    6   20 o  282.051   5.6112  796.146   31.653      ?      ? 
1 1 1   -3    6   21 o  268.281   4.2876  720.063   23.006      ?      ? 
1 1 1   -3    6   22 o   36.342   10.975  -0.4160   14.084 1.618511 21.94947 
1 1 1   -3    6   24 o  229.206   3.8510  524.912   16.861 -1.528259 7.702083 
1 1 1   -3    6   25 o  137.242   4.7619  189.009   13.052 -7.916992 9.523882 
1 1 1   -3    6   26 o  293.843   3.0370  864.532   17.845 -3.552734 6.074003 
1 1 1   -3    6   28 o  207.877   3.3358  432.697   13.860 5.015915 6.671697 
1 1 1   -3    6   29 o   61.804   9.5316   40.336   11.455 5.521694 19.06313 
1 1 1   -3    6   30 o   52.675   9.7852   29.645   11.095 -21.63052 19.57041 
1 1 1   -3    6   31 f   82.799   6.8846   69.856   11.362 -5.592323 13.76913 
1 1 1   -3    6   33 o  144.061   4.1768  209.036   12.016 -1.065918 8.353619 
1 1 1   -3    6   34 o   66.486   8.9492   47.188   11.557 20.94215 17.89842 
1 1 1   -3    6   35 o   79.364   8.7195   67.828   12.347 56.64379 17.43908 
1 1 1   -3    6   36 o   46.375   10.419   22.873   11.220 -10.71767 20.83826 
1 1 1   -3    6   37 f   93.393   8.4019   88.686   15.694      ?      ? 
1 1 1   -3    6   38 o   38.681   10.527   9.7785   11.690 11.69579 21.05472 
1 1 1   -3    6   39 o   69.343   8.7908   50.346   11.831 14.77407 17.58150 
1 1 1   -3    6   40 o   59.014   10.010   38.682   11.690 -6.304699 20.01913 
1 1 1   -3    6   41 o   55.392   9.6907   33.844   10.860 -14.81954 19.38150 
1 1 1   -3    7    1 o  433.866   5.9909  1883.66   51.985      ?      ? 
1 1 1   -3    7    2 f  617.670   5.9982  3820.47   74.098 -1.588379 11.99640 
1 1 1   -3    7    3 o  376.103   3.7007  1415.35   27.837 -0.5702209 7.401341 
1 1 1   -3    7    4 o  599.353   5.0447  3594.29   56.968 0.8752441 10.08944 
1 1 1   -3    7    5 o  207.036   2.0776  432.084   8.2303 -5.688171 4.155160 
1 1 1   -3    7    6 o  607.836   5.1049  3727.15   59.168 -14.88849 10.20988 
1 1 1   -3    7    7 o  196.842   1.7812  387.415   7.0109 -5.715683 3.562497 
1 1 1   -3    7    8 o  175.414   1.8432  307.784   6.4648 5.225723 3.686343 
1 1 1   -3    7    9 o  278.860   2.1505  777.068   11.986 9.335297 4.300906 
1 1 1   -3    7   10 o  155.326   2.0864  241.402   6.4778 0.8378601 4.172819 
1 1 1   -3    7   11 o   61.717   4.6294   38.234   5.6809 1.121803 9.258815 
1 1 1   -3    7   12 o  263.207   2.2237  693.216   11.703 2.875183 4.447440 
1 1 1   -3    7   13 o  339.257   2.5855  1151.47   17.539 -0.6000977 5.171074 
1 1 1   -3    7   14 o  305.414   2.5067  930.786   15.279 -11.11456 5.013484 
1 1 1   -3    7   15 o  135.159   3.1594  182.930   8.5190 1.688202 6.318767 
1 1 1   -3    7   16 o  327.511   2.6851  1072.63   17.576 -3.162811 5.370139 
1 1 1   -3    7   17 o  263.640   3.2458  702.182   16.095 7.772583 6.491556 
1 1 1   -3    7   18 o  345.696   3.4726  1194.25   22.636 -1.233734 6.945298 
1 1 1   -3    7   19 o  257.862   2.7848  665.342   14.352 1.810760 5.569568 
1 1 1   -3    7   20 o  253.366   4.3092  642.247   21.836      ?      ? 
1 1 1   -3    7   23 o  295.037   4.3126  871.054   25.447      ?      ? 
1 1 1   -3    7   24 o  135.407   5.5056  182.268   14.594 -5.421478 11.01115 
1 1 1   -3    7   25 o  299.251   3.6216  898.162   20.834 1.804871 7.243167 
1 1 1   -3    7   26 o  102.497   7.0679  104.304   14.220 -6.657135 14.13580 
1 1 1   -3    7   27 o  340.408   3.1004  1160.41   21.107 -1.955688 6.200731 
1 1 1   -3    7   28 o  200.069   3.3747  401.220   13.498 -0.7609253 6.749458 
1 1 1   -3    7   29 o  278.738   2.9174  778.514   16.262 -1.846954 5.834730 
1 1 1   -3    7   30 o   43.957   10.560   18.658   11.135 -3.262798 21.11926 
1 1 1   -3    7   31 f   34.584   9.9960   3.2088   11.402 9.709263 19.99194 
1 1 1   -3    7   32 o  119.327   7.2715  142.969   17.354      ?      ? 
1 1 1   -3    7   33 o  118.114   4.8558  140.670   11.439 12.06631 9.711655 
1 1 1   -3    7   34 o   71.703   9.1424   57.112   12.484 31.22925 18.28471 
1 1 1   -3    7   36 o   92.084   6.0968   86.417   11.214 5.481239 12.19353 
1 1 1   -3    7   37 o   37.988   10.471   10.803   11.481 2.276142 20.94121 
1 1 1   -3    7   38 o   37.017   10.011   7.0047   11.719 -15.81855 20.02291 
1 1 1   -3    7   39 o   57.762   10.225   37.535   11.787 -6.273258 20.45010 
1 1 1   -3    7   40 o   63.464   9.5568   43.463   11.767 11.33939 19.11365 
1 1 1   -3    7   41 o   47.354   11.609   24.012   14.354 -15.48709 23.21736 
1 1 1   -3    8    1 o  583.025   8.0227  3404.54   93.548      ?      ? 
1 1 1   -3    8    2 o  413.900   4.0538  1712.50   33.525 10.85364 8.107669 
1 1 1   -3    8    3 o  308.685   3.0919  952.779   19.078 5.637787 6.183796 
1 1 1   -3    8    4 o  498.885   4.2142  2497.82   39.802 -4.043793 8.428452 
1 1 1   -3    8    5 o  415.867   3.5494  1734.67   27.930 -2.848297 7.098835 
1 1 1   -3    8    6 f  263.241   2.4466  696.151   12.191 -3.430481 4.893181 
1 1 1   -3    8    7 o  129.049   1.9387  166.507   5.0011 -5.901497 3.877391 
1 1 1   -3    8    8 o   63.562   3.7288   40.345   4.7339 -3.448471 7.457677 
1 1 1   -3    8    9 o  233.608   1.9709  545.916   9.2058 -0.9692383E-01 3.941703 
1 1 1   -3    8   10 o  313.914   2.3610  985.266   14.815 -5.842010 4.722084 
1 1 1   -3    8   11 o  286.711   2.2685  822.245   13.007 4.656555 4.536932 
1 1 1   -3    8   12 o  209.616   2.1387  437.632   8.9336 -10.12216 4.277431 
1 1 1   -3    8   13 o  177.578   3.4696  315.463   12.322      ?      ? 
1 1 1   -3    8   14 o  350.794   2.6956  1231.10   18.911 0.8634949 5.391284 
1 1 1   -3    8   15 o  141.046   3.0752  199.087   8.6689 1.006943 6.150411 
1 1 1   -3    8   16 f  396.034   3.6530  1572.47   27.317 2.445038 7.305917 
1 1 1   -3    8   17 o  554.198   3.9387  3073.07   43.649 -4.239868 7.877386 
1 1 1   -3    8   18 o  383.202   2.9990  1469.13   22.984 2.417999 5.998010 
1 1 1   -3    8   20 o   84.914   10.241   72.290   17.392      ?      ? 
1 1 1   -3    8   21 o  359.142   3.0967  1290.41   22.241 4.746796 6.193339 
1 1 1   -3    8   23 f  179.918   3.7424  323.449   13.451 7.034775 7.484727 
1 1 1   -3    8   24 o  342.352   3.0738  1172.27   21.038 7.857697 6.147686 
1 1 1   -3    8   25 o  259.924   3.0910  676.106   16.065 4.942596 6.181906 
1 1 1   -3    8   26 o  312.184   3.6186  989.380   21.902 18.65900 7.237116 
1 1 1   -3    8   27 o  125.635   5.7650  160.115   14.149 5.560738 11.53003 
1 1 1   -3    8   28 o  154.624   3.9823  239.622   12.287 1.716812 7.964612 
1 1 1   -3    8   29 o  121.768   4.7319  148.853   11.509 3.416847 9.463799 
1 1 1   -3    8   30 o  234.039   2.9535  549.347   13.817 -3.101242 5.906905 
1 1 1   -3    8   31 o  248.808   3.0565  620.119   15.193 -16.55232 6.112950 
1 1 1   -3    8   33 o   79.939   6.9448   65.643   11.019 -9.459335 13.88965 
1 1 1   -3    8   34 o   75.579   8.8784   69.526   12.558 -66.82196 17.75670 
1 1 1   -3    8   35 o   22.593   7.8090 -36.2578   12.162 -7.035446 15.61801 
1 1 1   -3    8   36 o   99.806   5.7343  100.827   11.322 20.19205 11.46851 
1 1 1   -3    8   37 o  115.291   5.1311  135.123   11.821 6.774475 10.26225 
1 1 1   -3    8   38 o   76.847   7.6665   61.531   11.695 -5.587753 15.33300 
1 1 1   -3    8   39 o   71.263   8.5776   54.077   11.771 18.59231 17.15514 
1 1 1   -3    8   40 o  140.096   4.3723  198.242   12.247 3.925613 8.744631 
1 1 1   -3    9    1 o  439.618   6.0925  1935.06   53.567      ?      ? 
1 1 1   -3    9    2 o  173.558   2.0908  300.289   7.2308 6.504959 4.181670 
1 1 1   -3    9    3 o  172.963   2.1438  299.117   7.3939 1.080429 4.287529 
1 1 1   -3    9    4 o  138.764   2.0097  190.521   5.1716 3.963852 4.019415 
1 1 1   -3    9    5 o  115.323   2.3865  138.074   5.0334 -11.40088 4.773045 
1 1 1   -3    9    6 o  328.387   2.9104  1068.49   17.754 8.595093 5.820723 
1 1 1   -3    9    7 o  183.943   2.2147  342.016   7.6090 -5.467346 4.429451 
1 1 1   -3    9    8 o  158.602   2.6455  251.629   8.3916      ?      ? 
1 1 1   -3    9    9 o  184.460   1.9335  340.265   7.1317 4.965042 3.867028 
1 1 1   -3    9   10 o  193.541   2.0179  372.905   7.7865 -11.39870 4.035816 
1 1 1   -3    9   11 o  360.093   2.6515  1297.39   19.096 0.5912781 5.303096 
1 1 1   -3    9   12 o  215.882   2.2234  465.745   9.5896 13.97539 4.446718 
1 1 1   -3    9   13 o  510.533   3.6012  2608.32   36.770 -1.731689 7.202492 
1 1 1   -3    9   14 o  579.695   4.0582  3362.76   47.042 -5.742737 8.116323 
1 1 1   -3    9   15 o  347.922   3.3254  1212.20   21.839 0.9773254 6.650817 
1 1 1   -3    9   16 o  196.287   2.7622  386.181   10.821 8.250275 5.524435 
1 1 1   -3    9   17 f  208.378   2.8204  433.737   11.734 -4.930206 5.640843 
1 1 1   -3    9   18 o  462.917   3.4147  2144.17   31.613 0.6198120 6.829426 
1 1 1   -3    9   19 o  477.912   5.0187  2285.47   47.970      ?      ? 
1 1 1   -3    9   20 o  259.426   4.2665  673.316   22.137      ?      ? 
1 1 1   -3    9   21 o  360.973   3.0742  1303.55   22.191 4.618561 6.148498 
1 1 1   -3    9   23 o  367.435   3.1127  1350.79   22.870 6.000580 6.225332 
1 1 1   -3    9   24 o  385.949   3.1795  1490.94   24.541 3.331390 6.359035 
1 1 1   -3    9   25 o  115.307   5.4230  133.369   12.491 1.014755 10.84598 
1 1 1   -3    9   26 f  544.037   5.6273  2965.76   61.230      ?      ? 
1 1 1   -3    9   27 o  126.193   5.4400  159.094   13.541 -4.936409 10.87994 
1 1 1   -3    9   28 o  198.658   3.7279  399.126   14.454 8.239639 7.455877 
1 1 1   -3    9   29 o  209.025   3.1056  437.825   12.970 2.502029 6.211208 
1 1 1   -3    9   30 o   43.596   10.400   18.427   10.757 3.258713 20.79953 
1 1 1   -3    9   31 o  169.028   5.4017  286.267   18.261      ?      ? 
1 1 1   -3    9   32 o   49.384   10.332   26.159   10.948 -4.078522 20.66379 
1 1 1   -3    9   33 o   56.265   9.2084   32.682   10.750 26.08100 18.41670 
1 1 1   -3    9   35 o  180.828   3.6284  329.632   13.112 -3.322418 7.256851 
1 1 1   -3    9   36 o  108.515   5.3711  118.877   11.545 20.46696 10.74228 
1 1 1   -3    9   37 o  111.050   5.3462  125.471   11.847 -4.073814 10.69242 
1 1 1   -3    9   38 o   73.605   7.9415   56.097   11.639 2.734299 15.88310 
1 1 1   -3    9   39 o   60.842   9.8698   40.495   11.773 6.933498 19.73950 
1 1 1   -3    9   40 o   96.062   6.0682   94.624   11.554 14.57664 12.13641 
1 1 1   -3   10    1 o  482.080   4.7275  2325.35   45.536 -13.31564 9.455031 
1 1 1   -3   10    2 o  451.175   4.4253  2036.13   39.886 12.49173 8.850526 
1 1 1   -3   10    3 o  386.140   3.8148  1492.79   29.457 2.146667 7.629616 
1 1 1   -3   10    4 f  654.831   6.3842  4301.23   83.577 11.18073 12.76846 
1 1 1   -3   10    5 o  168.789   3.4927  285.053   11.791      ?      ? 
1 1 1   -3   10    6 o  209.314   2.2098  442.146   8.7195 -5.598892 4.419517 
1 1 1   -3   10    7 f  191.437   2.2286  367.146   8.0018 -0.7773590 4.457109 
1 1 1   -3   10    8 o   57.460   4.4112   33.328   4.9354 -16.87697 8.822401 
1 1 1   -3   10    9 o  184.761   1.9740  341.426   7.2939 -2.441971 3.948078 
1 1 1   -3   10   10 o  269.750   2.1959  727.891   11.846 4.310089 4.391753 
1 1 1   -3   10   11 o  411.149   2.9599  1691.44   24.339 1.475220 5.919848 
1 1 1   -3   10   12 o  215.986   2.2445  466.587   9.6943 -1.251297 4.489050 
1 1 1   -3   10   13 f  654.644   5.5670  4298.47   68.784 3.038818 11.13406 
1 1 1   -3   10   14 o  128.737   3.9631  165.184   9.4820 -1.380814 7.926222 
1 1 1   -3   10   15 o  643.118   4.4854  4139.65   57.693 1.986084 8.970809 
1 1 1   -3   10   16 o  364.078   2.9010  1326.16   21.119 1.398590 5.801966 
1 1 1   -3   10   17 o  450.045   3.3391  2026.48   30.055 3.728943 6.678223 
1 1 1   -3   10   18 f  339.068   4.0308  1150.13   27.334      ?      ? 
1 1 1   -3   10   19 o  339.072   4.2934  1150.21   29.115      ?      ? 
1 1 1   -3   10   20 o  385.472   3.1535  1486.73   24.310 -1.743469 6.307033 
1 1 1   -3   10   21 o  521.194   3.8136  2718.73   39.750 -3.261597 7.627177 
1 1 1   -3   10   22 o  235.510   3.1230  554.812   14.707 6.169815 6.246047 
1 1 1   -3   10   23 o  360.311   3.0791  1299.35   22.188 1.400513 6.158254 
1 1 1   -3   10   24 o  295.362   2.9836  872.099   17.609 8.970276 5.967293 
1 1 1   -3   10   25 f  177.847   3.7040  316.460   13.166 5.494965 7.408004 
1 1 1   -3   10   26 o  176.457   5.4549  312.087   19.251      ?      ? 
1 1 1   -3   10   27 f  131.075   4.4250  172.531   11.589 -1.357620 8.849920 
1 1 1   -3   10   28 o  138.408   4.7586  190.480   12.917 -7.228149 9.517198 
1 1 1   -3   10   29 o   50.744   9.7013   27.643   10.728 -20.00034 19.40269 
1 1 1   -3   10   30 o  129.569   4.4078  168.736   11.404 9.875549 8.815573 
1 1 1   -3   10   31 o  119.918   4.9270  144.271   11.800 8.613693 9.854031 
1 1 1   -3   10   32 o  100.829   5.2720  102.845   10.622 -3.026176 10.54394 
1 1 1   -3   10   33 f  105.190   5.2911  112.711   11.097 9.973076 10.58219 
1 1 1   -3   10   34 o   82.284   10.962   69.032   18.040      ?      ? 
1 1 1   -3   10   35 o  112.797   5.1367  131.004   11.429 -14.27306 10.27349 
1 1 1   -3   10   36 o  107.645   5.4428  118.617   11.615 -11.28514 10.88552 
1 1 1   -3   10   37 o   70.702   8.3560   52.909   11.511 -3.659050 16.71205 
1 1 1   -3   10   38 o   79.489   7.4086   65.124   11.712 4.873894 14.81725 
1 1 1   -3   10   39 o  136.812   4.4460  190.187   12.116 -6.111526 8.892035 
1 1 1   -3   10   40 o   78.120   7.0346   62.910   10.964 7.069618 14.06911 
1 1 1   -3   11    1 o  148.587   1.8345  216.517   5.0505 7.570450 3.668996 
1 1 1   -3   11    2 f  405.391   3.9985  1645.66   32.415 2.353516 7.997018 
1 1 1   -3   11    3 o  213.218   2.4064  453.379   10.215 6.882339 4.812723 
1 1 1   -3   11    4 o  508.776   4.9823  2594.47   50.697 -1.347748 9.964557 
1 1 1   -3   11    5 o  394.701   3.4049  1555.98   25.236 2.481750 6.809777 
1 1 1   -3   11    6 o  292.155   2.6570  860.924   14.744 -7.665344 5.313973 
1 1 1   -3   11    7 o  784.204   6.6063  6185.01   97.970 -5.683960 13.21265 
1 1 1   -3   11    8 o  467.065   4.0072  2185.71   35.324 -1.084076 8.014369 
1 1 1   -3   11    9 o  329.673   2.4562  1087.32   16.195 0.6415405 4.912451 
1 1 1   -3   11   11 o  525.320   3.6811  2761.09   38.667 -6.219116 7.362234 
1 1 1   -3   11   12 f  415.469   3.0227  1726.96   25.116 -0.9152222 6.045456 
1 1 1   -3   11   13 o  112.392   3.5647  126.647   7.9965 6.878654 7.129343 
1 1 1   -3   11   14 o  208.937   3.0968  436.752   12.152 0.5380249E-01 6.193505 
1 1 1   -3   11   15 o  303.893   3.7132  923.800   22.568      ?      ? 
1 1 1   -3   11   16 o  530.645   3.7860  2817.87   40.179 0.7155762 7.571968 
1 1 1   -3   11   17 o  353.170   2.9045  1247.66   20.495 -0.8981323 5.809049 
1 1 1   -3   11   18 o   27.131   8.6389 -13.8930   10.880 10.42016 17.27779 
1 1 1   -3   11   19 o  608.984   4.3291  3712.29   52.727 0.8640747 8.658247 
1 1 1   -3   11   20 o  366.125   3.0708  1341.34   22.485 2.119476 6.141565 
1 1 1   -3   11   21 o  144.363   4.3194  208.619   12.469 3.736450 8.638877 
1 1 1   -3   11   22 o  389.029   3.1672  1511.18   24.601 15.15497 6.334397 
1 1 1   -3   11   23 o  112.637   5.3907  126.848   12.124 6.708412 10.78137 
1 1 1   -3   11   24 f  466.874   3.5327  2182.74   32.982 3.201782 7.065439 
1 1 1   -3   11   25 o  196.386   4.7780  386.227   18.767      ?      ? 
1 1 1   -3   11   26 o  126.404   4.6813  161.057   11.781 -6.192192 9.362675 
1 1 1   -3   11   27 o  191.449   3.2390  366.990   12.396 4.829086 6.478013 
1 1 1   -3   11   28 f   32.142   9.8362  -8.0303   12.066 -15.43019 19.67249 
1 1 1   -3   11   29 o  150.536   4.2419  227.908   12.631 0.5427551 8.483739 
1 1 1   -3   11   30 o   23.483   7.9971 -26.0346   11.327 -5.115595 15.99411 
1 1 1   -3   11   31 o  130.666   4.3786  172.327   11.440 3.545334 8.757281 
1 1 1   -3   11   32 o  154.021   3.6668  238.376   11.278 1.987091 7.333580 
1 1 1   -3   11   33 o  102.791   8.0029  106.680   16.452      ?      ? 
1 1 1   -3   11   34 o  118.802   4.8690  142.530   11.543 6.677956 9.737992 
1 1 1   -3   11   35 o   31.434   9.6018  -0.7844   11.108 -1.850954 19.20356 
1 1 1   -3   11   36 o   94.143   6.2405   90.718   11.724 7.842514 12.48093 
1 1 1   -3   11   37 o   61.832   9.4448   42.315   11.551 -17.59850 18.88963 
1 1 1   -3   11   38 o  117.160   5.1879  138.703   12.102 9.732758 10.37589 
1 1 1   -3   11   39 o   90.017   6.4837   83.304   11.610 -6.959373 12.96741 
1 1 1   -3   11   40 o   91.736   5.7301   88.411   10.495 -6.300003 11.46020 
1 1 1   -3   12    1 o  297.911   2.6208  895.891   14.901 -9.048035 5.241587 
1 1 1   -3   12    2 o  269.529   2.7913  726.844   15.039 1.473328 5.582569 
1 1 1   -3   12    3 o  491.732   4.8217  2421.40   47.392 9.440063 9.643389 
1 1 1   -3   12    4 o  582.893   5.6970  3407.31   66.413 2.167542 11.39398 
1 1 1   -3   12    5 o  460.273   3.9360  2114.44   33.983 4.080231 7.872027 
1 1 1   -3   12    6 f  370.008   3.2410  1363.86   22.440 4.737610 6.482063 
1 1 1   -3   12    7 o  225.993   2.4074  519.452   10.337 -12.62415 4.814836 
1 1 1   -3   12    8 o  235.792   2.5112  561.727   11.159 -7.146011 5.022428 
1 1 1   -3   12    9 o  559.094   4.7552  3138.61   50.361 -4.924866 9.510416 
1 1 1   -3   12   10 o  229.496   2.1539  526.820   9.8864 -0.1873779 4.307894 
1 1 1   -3   12   11 o  593.330   4.1278  3523.40   48.981 -3.189514 8.255577 
1 1 1   -3   12   12 o  606.055   4.2210  3676.29   51.163 1.194580 8.442064 
1 1 1   -3   12   13 o  393.055   2.9390  1545.26   23.099 -3.170166 5.877989 
1 1 1   -3   12   14 o  439.586   3.9334  1939.23   32.697 3.965454 7.866763 
1 1 1   -3   12   15 o  558.919   3.9545  3126.34   44.204 0.6093140 7.908917 
1 1 1   -3   12   16 o  416.662   3.1626  1735.71   26.345 13.90149 6.325238 
1 1 1   -3   12   17 o  557.448   3.9913  3100.20   44.408 26.55505 7.982646 
1 1 1   -3   12   18 o  553.222   3.9780  3062.20   44.002 -5.013123 7.955971 
1 1 1   -3   12   19 o  147.969   4.0180  219.193   11.870 0.1895142E-01 8.036097 
1 1 1   -3   12   20 o  310.529   4.0986  964.809   25.454      ?      ? 
1 1 1   -3   12   21 o  270.885   2.9005  733.552   15.705 8.150757 5.800926 
1 1 1   -3   12   22 o  133.096   4.5313  177.490   12.042 0.1229858E-01 9.062677 
1 1 1   -3   12   23 o  232.203   3.0837  539.555   14.315 3.017578 6.167467 
1 1 1   -3   12   24 o  325.937   2.9776  1063.45   19.406 0.7779846 5.955247 
1 1 1   -3   12   25 o  201.873   3.3040  407.958   13.328 2.961700 6.607973 
1 1 1   -3   12   26 o  205.094   3.1367  421.583   12.858 -2.147873 6.273403 
1 1 1   -3   12   27 f  235.333   2.9096  554.922   13.690 -0.6865997 5.819148 
1 1 1   -3   12   28 o  218.467   3.3804  480.415   14.463 3.686737 6.760874 
1 1 1   -3   12   29 o  212.905   3.4459  454.412   14.380 -1.849945 6.891751 
1 1 1   -3   12   30 o  141.064   6.2389  199.451   17.602      ?      ? 
1 1 1   -3   12   31 o  152.829   3.7578  235.051   11.438 -1.516251 7.515566 
1 1 1   -3   12   32 o  103.305   5.3704  108.215   11.084 3.439186 10.74087 
1 1 1   -3   12   33 o  152.419   4.0811  233.758   12.404 -9.408951 8.162119 
1 1 1   -3   12   34 o   27.790   8.9443  -8.3385   10.899 2.356062 17.88867 
1 1 1   -3   12   35 o  108.127   5.2534  117.306   11.308 14.22730 10.50677 
1 1 1   -3   12   36 o   49.857   10.464   26.907   11.436 -10.38271 20.92854 
1 1 1   -3   12   37 o   35.112   10.207   5.4950   11.490 3.771084 20.41494 
1 1 1   -3   12   38 o   83.374   7.0598   72.063   11.634 -4.031219 14.11967 
1 1 1   -3   12   39 o  121.579   4.8210  149.355   11.699 2.720459 9.641965 
1 1 1   -3   13    1 o  368.174   3.1716  1366.90   22.271 -9.515472 6.343186 
1 1 1   -3   13    2 o  335.878   2.9269  1132.46   18.601 -3.331970 5.853741 
1 1 1   -3   13    3 o  320.843   3.2516  1030.08   20.863 -5.298126 6.503240 
1 1 1   -3   13    4 o  354.754   3.5630  1259.72   25.280 -2.650848 7.126071 
1 1 1   -3   13    5 o  389.940   3.3877  1518.63   24.817 2.264008 6.775497 
1 1 1   -3   13    6 o  224.840   4.0029  505.808   18.000      ?      ? 
1 1 1   -3   13    7 o  476.446   4.1376  2206.27   35.770 32.16769 8.275182 
1 1 1   -3   13    8 o  206.733   2.5197  426.060   9.7624 2.020233 5.039302 
1 1 1   -3   13    9 o  552.574   4.6892  3086.52   49.638 -19.32916 9.378469 
1 1 1   -3   13   10 o  367.923   3.3382  1354.40   23.156 -0.2203369E-01 6.676426 
1 1 1   -3   13   11 o  307.855   3.5069  948.033   21.593      ?      ? 
1 1 1   -3   13   12 o  337.797   2.6548  1140.55   17.922 -6.361145 5.309525 
1 1 1   -3   13   13 o  652.497   4.5369  4260.57   59.194 -6.939209 9.073826 
1 1 1   -3   13   14 f  171.833   3.4012  294.219   10.772 -1.773361 6.802478 
1 1 1   -3   13   15 o  213.698   2.7100  456.724   11.531 -0.5379028 5.419984 
1 1 1   -3   13   17 o  258.291   2.8213  664.752   14.516 -10.85103 5.642530 
1 1 1   -3   13   18 o   53.251   14.771   29.420   16.273      ?      ? 
1 1 1   -3   13   20 o  127.509   4.5715  162.927   11.652 2.201157 9.142951 
1 1 1   -3   13   21 o  517.305   3.7651  2679.49   38.954 1.200562 7.530148 
1 1 1   -3   13   22 o  129.843   4.4736  169.764   11.551 14.75382 8.947257 
1 1 1   -3   13   23 o  268.046   2.9129  719.191   15.615 -1.871399 5.825784 
1 1 1   -3   13   24 o  157.686   3.8797  248.295   12.214 11.12114 7.759329 
1 1 1   -3   13   25 o  216.651   3.0935  470.595   13.395 -6.689178 6.186953 
1 1 1   -3   13   26 o  136.220   4.1249  186.206   11.237 -1.253677 8.249707 
1 1 1   -3   13   27 o  196.073   3.0984  385.401   12.147 -5.952606 6.196841 
1 1 1   -3   13   28 o   43.432   10.536   16.304   11.277 -14.02645 21.07212 
1 1 1   -3   13   31 o  131.798   4.1655  174.812   10.937 1.329132 8.330986 
1 1 1   -3   13   32 o   31.099   9.2678  -7.6232   11.592 -16.52085 18.53563 
1 1 1   -3   13   34 o   52.380   9.9199   30.569   11.075 -17.43312 19.83975 
1 1 1   -3   13   35 o   35.142   9.3483   2.3051   11.147 -21.55526 18.69660 
1 1 1   -3   13   36 o   36.800   10.247   9.3198   11.136 -2.546329 20.49331 
1 1 1   -3   13   37 o   38.193   10.453   11.459   11.309 0.4990349 20.90573 
1 1 1   -3   13   38 o   93.665   6.1393   89.034   11.414 6.497955 12.27855 
1 1 1   -3   13   39 o  117.663   4.9057  143.659   11.267 -25.29870 9.811301 
1 1 1   -3   14    1 o  358.054   5.0912  1283.19   36.458      ?      ? 
1 1 1   -3   14    2 o  238.093   2.2811  571.091   10.277 -5.298386 4.562251 
1 1 1   -3   14    3 o  385.599   3.8475  1488.31   29.670 0.4689941 7.695088 
1 1 1   -3   14    4 o  261.250   2.8424  681.778   14.817 5.784729 5.684714 
1 1 1   -3   14    5 o  184.918   2.3346  334.376   7.9041 10.11140 4.669107 
1 1 1   -3   14    6 o  359.686   3.1818  1310.80   21.905 -16.31815 6.363519 
1 1 1   -3   14    7 o  549.701   4.6908  3018.08   48.427 3.595825 9.381604 
1 1 1   -3   14    8 o  473.985   4.0887  2250.13   36.565 -1.120667 8.177412 
1 1 1   -3   14    9 o  204.107   2.7309  411.065   10.341 7.320129 5.461720 
1 1 1   -3   14   10 o  622.534   5.2858  3894.03   62.392 -7.166382 10.57151 
1 1 1   -3   14   11 o  504.769   5.0527  2549.35   51.009      ?      ? 
1 1 1   -3   14   12 o  580.679   4.0579  3372.26   47.099 -10.72394 8.115768 
1 1 1   -3   14   13 o  325.158   2.6118  1057.35   16.969 -1.943054 5.223544 
1 1 1   -3   14   14 o  247.454   3.0519  611.620   14.088 -1.068436 6.103847 
1 1 1   -3   14   15 o  206.546   4.1226  426.796   17.030      ?      ? 
1 1 1   -3   14   16 o  233.745   3.8540  546.561   18.017      ?      ? 
1 1 1   -3   14   17 o  322.196   2.8359  1037.44   18.250 -6.914429 5.671833 
1 1 1   -3   14   18 o  344.513   2.9549  1187.56   20.348 0.7730103E-01 5.909762 
1 1 1   -3   14   19 o  474.379   3.5218  2252.20   33.411 6.964539 7.043591 
1 1 1   -3   14   20 o   62.924   8.9132   41.118   10.820 -6.063278 17.82642 
1 1 1   -3   14   21 o  228.149   2.9399  521.331   13.403 10.22978 5.879820 
1 1 1   -3   14   22 o  121.206   4.8024  148.341   11.507 -21.82806 9.604792 
1 1 1   -3   14   23 o  305.694   2.9347  935.059   17.936 5.002289 5.869354 
1 1 1   -3   14   24 o   42.627   10.527   16.570   11.075 -1.558899 21.05443 
1 1 1   -3   14   25 o  180.643   3.3151  326.996   11.977 0.3474579 6.630282 
1 1 1   -3   14   26 o   47.894   9.9543   23.611   10.422 11.76994 19.90852 
1 1 1   -3   14   27 o   33.726   9.6713   5.1854   10.166 -1.330639 19.34251 
1 1 1   -3   14   28 o  147.818   4.3263  219.951   12.544 -0.4405975 8.652555 
1 1 1   -3   14   29 f  201.870   4.7210  408.077   19.061      ?      ? 
1 1 1   -3   14   30 o  164.605   3.4692  272.448   11.401 -2.719208 6.938456 
1 1 1   -3   14   31 o  199.954   3.1065  402.062   12.415 -4.484222 6.212959 
1 1 1   -3   14   32 o  253.423   4.2486  643.327   21.534      ?      ? 
1 1 1   -3   14   33 o  175.908   5.4524  312.067   19.182      ?      ? 
1 1 1   -3   14   34 o  122.764   4.7217  154.012   11.401 -10.94321 9.443350 
1 1 1   -3   14   35 o  119.580   4.9017  146.871   11.536 -11.96033 9.803395 
1 1 1   -3   14   36 o  104.633   5.4265  110.981   11.256 2.962509 10.85309 
1 1 1   -3   14   37 o   57.472   9.8450   37.025   11.239 -10.30840 19.69005 
1 1 1   -3   14   38 o   81.571   6.9122   67.736   11.240 6.868004 13.82432 
1 1 1   -3   14   39 o   24.636   8.0484   42.162   10.478 -16.06555 16.09671 
1 1 1   -3   15    1 o  424.898   3.6512  1824.05   29.673 -14.41272 7.302442 
1 1 1   -3   15    2 o  459.257   3.9414  2106.48   33.972 2.716095 7.882794 
1 1 1   -3   15    3 o  461.090   3.9415  2139.31   34.507 -8.120239 7.882989 
1 1 1   -3   15    4 o  339.396   3.4683  1148.08   23.487 -19.11389 6.936627 
1 1 1   -3   15    5 o  302.439   2.8082  908.943   15.766 5.356445 5.616440 
1 1 1   -3   15    6 o  661.780   5.6088  4377.29   69.730 3.751587 11.21757 
1 1 1   -3   15    7 o  729.786   6.1657  5342.61   85.000 -3.230408 12.33133 
1 1 1   -3   15    8 o  331.759   5.0800  1101.30   33.707      ?      ? 
1 1 1   -3   15    9 f  781.921   6.5959  6145.25   97.708 -8.331421 13.19182 
1 1 1   -3   15   10 o  483.595   4.1772  2353.02   38.476 -8.705231 8.354352 
1 1 1   -3   15   11 o  652.111   5.5280  4277.55   68.482 -9.580200 11.05598 
1 1 1   -3   15   12 o  385.681   2.8776  1485.85   22.166 -10.52621 5.755191 
1 1 1   -3   15   13 o  363.579   3.9358  1322.40   28.620      ?      ? 
1 1 1   -3   15   14 o  487.276   4.3036  2383.32   39.642 4.384277 8.607120 
1 1 1   -3   15   15 o  615.508   4.3389  3789.49   53.385 -11.66760 8.677800 
1 1 1   -3   15   16 o  448.799   3.3487  2014.62   30.044 -7.578644 6.697330 
1 1 1   -3   15   17 o  187.736   4.4471  352.668   16.698      ?      ? 
1 1 1   -3   15   18 o  169.120   3.4993  286.558   11.813 2.935989 6.998535 
1 1 1   -3   15   19 o   27.974   8.8289 -11.7085   10.659 -11.87494 17.65772 
1 1 1   -3   15   20 o  288.830   2.8110  835.017   16.233 1.966492 5.622032 
1 1 1   -3   15   21 o  109.092   5.0424  119.709   10.952 -12.06773 10.08472 
1 1 1   -3   15   22 o  359.300   3.0172  1292.41   21.681 -1.794708 6.034317 
1 1 1   -3   15   23 o  112.964   7.2585  128.138   16.399      ?      ? 
1 1 1   -3   15   24 o  345.905   2.9210  1198.35   20.206 -3.745667 5.841938 
1 1 1   -3   15   25 o  224.268   2.8498  503.821   12.781 3.606689 5.699582 
1 1 1   -3   15   26 o  133.317   3.9070  178.500   10.412 0.8786011E-01 7.814042 
1 1 1   -3   15   27 o  200.964   2.9859  404.823   11.990 1.742844 5.971764 
1 1 1   -3   15   29 o  162.296   4.1263  263.884   13.238 -7.537033 8.252619 
1 1 1   -3   15   30 o  105.727   4.9842  112.800   10.514 1.791260 9.968464 
1 1 1   -3   15   31 o  100.178   5.8195  101.438   11.643 4.051125 11.63904 
1 1 1   -3   15   32 o  175.147   3.7432  307.074   13.058 12.78888 7.486475 
1 1 1   -3   15   33 o  157.305   3.7838  249.785   11.873 -3.024780 7.567504 
1 1 1   -3   15   34 f  119.723   4.8289  146.501   11.453 -7.982231 9.657830 
1 1 1   -3   15   35 o   27.834   8.8287 -10.5101   11.095 -9.401691 17.65745 
1 1 1   -3   15   36 o   69.758   8.7132   56.092   11.213 -29.46354 17.42637 
1 1 1   -3   15   37 o   43.842   10.522   19.681   10.969 0.2001305 21.04387 
1 1 1   -3   15   38 o   82.967   6.5354   71.530   10.673 -13.81831 13.07081 
1 1 1   -3   16    1 o  509.784   5.0504  2601.99   51.483 2.368652 10.10081 
1 1 1   -3   16    2 o  340.166   3.0105  1157.94   19.258 -0.2901001 6.021008 
1 1 1   -3   16    3 o  445.517   3.8305  1988.94   32.199 -1.883057 7.660934 
1 1 1   -3   16    4 o  452.389   4.4916  2045.32   40.595 -14.70578 8.983276 
1 1 1   -3   16    5 o  493.978   4.2184  2466.83   39.846 -17.66922 8.436737 
1 1 1   -3   16    6 o  471.303   4.0915  2199.77   35.789 12.89987 8.182932 
1 1 1   -3   16    7 o  755.427   6.3775  5733.80   91.242 -7.429382 12.75497 
1 1 1   -3   16    8 o  268.592   4.6410  721.773   24.931      ?      ? 
1 1 1   -3   16    9 o  238.049   2.6768  562.936   12.048 4.985428 5.353587 
1 1 1   -3   16   10 o  530.506   4.5824  2785.52   45.194 15.83179 9.164774 
1 1 1   -3   16   11 o  493.761   4.2885  2446.14   40.122 -3.925293 8.577032 
1 1 1   -3   16   12 o  323.598   5.2593  1047.88   34.038      ?      ? 
1 1 1   -3   16   13 o  219.383   5.6487  481.672   24.785      ?      ? 
1 1 1   -3   16   14 f  527.725   5.3294  2786.92   56.250      ?      ? 
1 1 1   -3   16   15 o  432.614   3.2490  1871.16   28.087 -9.297791 6.497943 
1 1 1   -3   16   16 o  415.928   3.1955  1728.21   26.548 -12.80255 6.391082 
1 1 1   -3   16   17 o  295.202   2.7885  869.839   16.429 -10.55533 5.576944 
1 1 1   -3   16   18 o  271.751   2.7421  739.193   14.895 2.663116 5.484260 
1 1 1   -3   16   19 o  421.359   3.2083  1777.30   27.036 2.029205 6.416634 
1 1 1   -3   16   20 o  131.137   4.1002  172.336   10.747 0.7071075 8.200350 
1 1 1   -3   16   21 o   83.985   6.3587   70.913   10.630 -10.76331 12.71735 
1 1 1   -3   16   23 o   38.464   9.9806   11.741   10.205 6.714188 19.96125 
1 1 1   -3   16   24 o  156.453   3.4667  245.229   10.841 7.884811 6.933401 
1 1 1   -3   16   25 o  154.449   3.4554  239.415   10.665 -2.295731 6.910770 
1 1 1   -3   16   26 o   35.651   9.5709   7.6809   9.7987 11.50738 19.14174 
1 1 1   -3   16   27 o  103.802   7.3388  108.810   15.236      ?      ? 
1 1 1   -3   16   29 o  129.081   4.2249  167.018   10.859 5.904091 8.449781 
1 1 1   -3   16   30 o   75.983   7.1883   59.432   10.797 16.37277 14.37668 
1 1 1   -3   16   31 o  193.101   4.5777  373.774   17.679      ?      ? 
1 1 1   -3   16   32 o   66.956   8.4705   46.611   10.992 16.69560 16.94094 
1 1 1   -3   16   33 f  117.723   4.8024  140.090   11.231 -2.010063 9.604847 
1 1 1   -3   16   34 o   27.827   8.8125 -11.4877   11.128 -10.52119 17.62509 
1 1 1   -3   16   35 o   61.809   9.2566   40.681   11.043 12.45740 18.51312 
1 1 1   -3   16   36 o  152.380   3.8940  234.257   11.773 0.7991791 7.788090 
1 1 1   -3   16   37 o   70.962   7.6172   51.252   10.746 8.599693 15.23444 
1 1 1   -3   16   38 o   78.001   6.4771   68.289   9.9342 13.05163 12.95421 
1 1 1   -3   17    1 f  458.773   4.5867  2106.20   42.080 -6.983154 9.173306 
1 1 1   -3   17    2 o  248.186   2.4279  621.343   11.426 -6.759476 4.855753 
1 1 1   -3   17    3 o  480.874   4.1116  2332.08   37.681 -12.66910 8.223239 
1 1 1   -3   17    4 o  419.494   3.6381  1777.67   29.125 -13.87399 7.276294 
1 1 1   -3   17    5 o  412.095   3.6138  1709.23   28.187 -7.679565 7.227553 
1 1 1   -3   17    6 o  280.088   4.6238  784.894   25.902      ?      ? 
1 1 1   -3   17    7 o  157.635   2.7770  254.923   8.1985 -12.12866 5.554062 
1 1 1   -3   17    8 o  258.570   2.7221  664.709   13.161 4.422516 5.444106 
1 1 1   -3   17    9 f  521.936   4.5095  2706.81   43.944 10.43500 9.018945 
1 1 1   -3   17   10 f  526.293   4.5118  2814.15   45.875 -32.82721 9.023598 
1 1 1   -3   17   11 o  605.866   8.4901  3677.48  102.877      ?      ? 
1 1 1   -3   17   12 o  293.911   3.1925  881.296   17.950 -21.34467 6.384902 
1 1 1   -3   17   13 o  188.681   3.5599  366.073   12.654 -16.65112 7.119783 
1 1 1   -3   17   14 o  154.142   3.3176  236.264   10.189 -11.23485 6.635108 
1 1 1   -3   17   15 o  413.436   6.2165  1711.42   51.402      ?      ? 
1 1 1   -3   17   16 o  136.863   3.8279  187.911   10.425 3.013824 7.655783 
1 1 1   -3   17   17 o  170.022   3.2368  288.445   10.989 -9.805161 6.473681 
1 1 1   -3   17   18 o  206.580   2.8894  427.499   11.920 3.868271 5.778788 
1 1 1   -3   17   19 o  108.365   4.7548  117.989   10.282 4.795219 9.509513 
1 1 1   -3   17   20 o  146.459   3.7390  214.784   10.950 -4.408096 7.478018 
1 1 1   -3   17   22 o  282.118   2.7356  797.052   15.433 -1.199097 5.471240 
1 1 1   -3   17   23 f  195.596   2.9213  383.239   11.427 1.685272 5.842531 
1 1 1   -3   17   24 o   27.558   8.6327  -4.8811   9.5709 -3.359133 17.26538 
1 1 1   -3   17   25 o  149.984   3.4507  225.600   10.343 2.193130 6.901411 
1 1 1   -3   17   26 o   66.931   7.8188   46.171   10.188 11.00916 15.63766 
1 1 1   -3   17   28 f   51.716   10.982   28.604   12.220 2.250645 21.96436 
1 1 1   -3   17   29 o   51.670   9.3725   29.417   10.258 -20.09131 18.74499 
1 1 1   -3   17   30 o  162.153   5.4246  263.703   17.592      ?      ? 
1 1 1   -3   17   31 o   25.482   8.4238 -13.1164   10.570 0.2616539 16.84764 
1 1 1   -3   17   32 o   28.156   8.9726  -6.7132   10.695 -0.9369030 17.94510 
1 1 1   -3   17   33 o  125.423   4.5323  160.609   11.263 -6.557137 9.064570 
1 1 1   -3   17   34 o   34.044   9.8699   4.2905   10.866 7.963018 19.73989 
1 1 1   -3   17   35 o   38.732   9.8112   12.638   10.679 -14.60923 19.62245 
1 1 1   -3   17   36 o   30.053   9.3282  -2.1736   10.664 2.692072 18.65630 
1 1 1   -3   17   37 o   68.896   7.7310   50.181   10.272 -6.607643 15.46194 
1 1 1   -3   18    1 o  605.259   6.0091  3669.52   72.720 1.824036 12.01812 
1 1 1   -3   18    2 o  316.694   4.6543  1003.48   29.480      ?      ? 
1 1 1   -3   18    3 o  232.169   3.8944  539.225   18.083      ?      ? 
1 1 1   -3   18    4 o  493.916   4.2548  2438.37   39.479 1.815125 8.509543 
1 1 1   -3   18    5 o  209.520   2.6024  441.079   9.8003 -2.156387 5.204857 
1 1 1   -3   18    6 o  360.064   3.2280  1308.69   22.098 -10.63550 6.456048 
1 1 1   -3   18    7 o  441.283   3.8482  1969.67   32.456 -16.72473 7.696451 
1 1 1   -3   18    8 o  399.543   5.8653  1597.73   46.869      ?      ? 
1 1 1   -3   18    9 o   71.747   6.7305   51.799   8.7737 -0.7548370 13.46096 
1 1 1   -3   18   10 o  296.293   3.0914  900.357   17.574 -29.52686 6.182705 
1 1 1   -3   18   11 o  317.857   3.2758  959.182   18.707 36.04401 6.551683 
1 1 1   -3   18   12 f  144.631   4.1850  219.641   11.234 -21.35994 8.370075 
1 1 1   -3   18   13 o  570.908   4.9335  3292.98   53.815 -17.62885 9.866904 
1 1 1   -3   18   14 o  522.826   7.5257  2738.85   78.692      ?      ? 
1 1 1   -3   18   15 f  118.220   4.1252  139.142   9.7192 -7.978790 8.250481 
1 1 1   -3   18   16 o  152.614   4.0063  228.598   11.612 -9.362869 8.012684 
1 1 1   -3   18   17 o  523.875   3.7600  2747.52   39.384 -7.186768 7.519950 
1 1 1   -3   18   18 o  167.782   3.1951  281.949   10.716 2.242615 6.390130 
1 1 1   -3   18   19 o   92.101   5.5462   85.139   10.214 -2.618462 11.09238 
1 1 1   -3   18   21 o  116.651   4.3198  136.486   10.067 7.679573 8.639568 
1 1 1   -3   18   22 o   23.700   7.8495 -15.1947   9.4839 5.974943 15.69902 
1 1 1   -3   18   23 o   29.217   8.8803  -0.9462   9.3583 3.191748 17.76055 
1 1 1   -3   18   24 o  321.720   2.7613  1037.20   17.764 2.510925 5.522613 
1 1 1   -3   18   25 o  268.096   2.7062  720.427   14.507 4.116150 5.412374 
1 1 1   -3   18   27 o  147.792   4.2069  216.870   12.293 -15.59207 8.413783 
1 1 1   -3   18   28 o  126.975   5.4412  162.219   13.818      ?      ? 
1 1 1   -3   18   29 o  219.538   2.9436  484.402   12.909 -9.924286 5.887236 
1 1 1   -3   18   30 o   65.945   8.0508   45.152   10.297 13.87204 16.10159 
1 1 1   -3   18   31 o   23.529   7.9218 -17.2350   10.157 2.397985 15.84353 
1 1 1   -3   18   32 o   79.440   9.1214   64.304   14.492      ?      ? 
1 1 1   -3   18   33 o   30.738   9.4311  -1.1844   10.683 3.745825 18.86226 
1 1 1   -3   18   34 o  108.549   5.1319  118.700   11.083 9.552383 10.26376 
1 1 1   -3   18   35 o   62.099   9.1568   42.152   10.894 -3.644939 18.31363 
1 1 1   -3   18   36 o   77.180   7.3828   60.186   11.282 9.036224 14.76559 
1 1 1   -3   19    1 o  338.448   3.5904  1143.62   24.275 16.29620 7.180849 
1 1 1   -3   19    2 o  208.610   2.3427  440.204   9.2390 -7.402390 4.685374 
1 1 1   -3   19    3 o  521.300   4.4886  2710.57   43.847 5.089111 8.977300 
1 1 1   -3   19    4 o  512.080   4.4960  2461.05   40.125 63.70480 8.992068 
1 1 1   -3   19    5 o  483.883   6.8431  2344.21   66.226      ?      ? 
1 1 1   -3   19    6 o  209.658   4.6123  439.804   19.340      ?      ? 
1 1 1   -3   19    7 o  505.925   4.3595  2591.05   42.240 -20.80057 8.718941 
1 1 1   -3   19    8 o  303.232   5.0193  920.050   30.440      ?      ? 
1 1 1   -3   19    9 o  283.425   3.0294  788.833   15.792 13.08289 6.058716 
1 1 1   -3   19   10 o  229.413   3.0246  535.590   12.945 -11.21193 6.049244 
1 1 1   -3   19   11 o  388.593   3.6129  1526.06   26.716 -12.73761 7.225804 
1 1 1   -3   19   12 o  746.491   6.3751  5549.47   88.881 13.37970 12.75020 
1 1 1   -3   19   13 o  534.226   4.6542  2886.60   47.585 -18.75537 9.308487 
1 1 1   -3   19   14 o  120.091   4.9755  139.556   11.391 13.05273 9.950963 
1 1 1   -3   19   15 o  191.388   3.6010  368.664   12.933 -3.008362 7.202096 
1 1 1   -3   19   16 o  318.777   2.7199  1016.02   17.326 -7.102173 5.439751 
1 1 1   -3   19   17 o  161.974   3.6883  263.935   11.480 2.674179 7.376672 
1 1 1   -3   19   18 o  288.148   3.1863  828.136   17.508 -3.532745 6.372621 
1 1 1   -3   19   19 o  106.108   4.7091  113.740   9.8167 -24.93767 9.418137 
1 1 1   -3   19   20 o   70.577   6.6999   50.589   9.3086 15.50967 13.39970 
1 1 1   -3   19   21 o  200.126   2.7953  401.190   11.184 -6.880463 5.590608 
1 1 1   -3   19   22 o  260.646   2.6401  680.499   13.760 -0.5062866E-01 5.280127 
1 1 1   -3   19   23 o  263.939   2.6480  698.052   13.974 0.3311462 5.296089 
1 1 1   -3   19   24 o  156.572   3.7433  245.100   11.509 -3.809372 7.486516 
1 1 1   -3   19   26 o   80.981   7.0867   65.320   11.275 -12.54905 14.17332 
1 1 1   -3   19   27 o  203.524   2.7824  415.816   11.318 -4.393860 5.564812 
1 1 1   -3   19   28 o   69.957   10.035   51.256   14.040      ?      ? 
1 1 1   -3   19   30 o  167.625   3.2261  282.614   10.753 0.4916382 6.452271 
1 1 1   -3   19   31 o  125.577   4.3216  158.437   10.819 3.932602 8.643214 
1 1 1   -3   19   32 o  103.764   5.1345  109.421   10.622 -0.9187546 10.26892 
1 1 1   -3   19   33 f   40.645   9.9990   15.800   10.382 -9.855556 19.99807 
1 1 1   -3   19   34 o   43.492   10.357   19.635   10.631 -1.736286 20.71343 
1 1 1   -3   19   35 o   98.174   5.6178   99.056   10.892 -6.883530 11.23570 
1 1 1   -3   19   36 o   41.506   9.8118   16.726   10.837 -17.50446 19.62357 
1 1 1   -3   20    1 o  414.468   4.2881  1713.86   35.453 17.44510 8.576243 
1 1 1   -3   20    2 o  245.668   2.5315  616.721   11.990 -22.17841 5.063002 
1 1 1   -3   20    3 o  467.614   4.0375  2214.91   36.229 -21.10727 8.075045 
1 1 1   -3   20    4 o  427.567   3.7613  1823.35   30.097 3.874573 7.522603 
1 1 1   -3   20    5 o  474.216   3.8923  2242.10   31.741 3.286133 7.784511 
1 1 1   -3   20    6 o  870.715   7.3720  7610.69  121.144 -2.892212 14.74395 
1 1 1   -3   20    7 o  381.334   5.6999  1455.74   43.471      ?      ? 
1 1 1   -3   20    8 f  246.997   2.8858  605.530   13.097 4.916550 5.771651 
1 1 1   -3   20    9 o  268.922   4.9931  723.759   26.855      ?      ? 
1 1 1   -3   20   10 o  222.823   5.1261  496.938   22.844      ?      ? 
1 1 1   -3   20   11 o  136.432   4.3244  191.090   10.756 -8.703812 8.648779 
1 1 1   -3   20   12 o  360.005   3.4663  1301.26   23.572 -3.448792 6.932692 
1 1 1   -3   20   13 o  256.673   3.2027  654.404   15.416 5.493591 6.405381 
1 1 1   -3   20   14 o  405.586   3.7824  1658.85   29.117 -9.277252 7.564823 
1 1 1   -3   20   15 o  139.817   4.5035  199.492   11.642 -6.970749 9.007078 
1 1 1   -3   20   16 o  248.089   3.2925  630.231   15.350 -17.36812 6.585071 
1 1 1   -3   20   17 o  328.233   2.7629  1078.39   18.137 -0.1445007 5.525778 
1 1 1   -3   20   18 o   31.944   9.1867   3.6137   9.3105 -5.129353 18.37350 
1 1 1   -3   20   19 o   95.077   5.4991   89.113   10.156 -7.602562 10.99829 
1 1 1   -3   20   20 o  157.562   3.5242  246.038   10.825 -7.697617 7.048476 
1 1 1   -3   20   21 o  185.470   3.2144  341.993   11.647 -6.884109 6.428741 
1 1 1   -3   20   22 o  394.529   3.6438  1567.43   27.520 4.704132 7.287630 
1 1 1   -3   20   23 o  196.685   3.1942  390.592   12.297 6.410797 6.388316 
1 1 1   -3   20   25 o   66.017   8.0881   49.164   10.093 51.15335 16.17622 
1 1 1   -3   20   26 o   85.656   5.4966   74.838   9.3370 -10.97160 10.99322 
1 1 1   -3   20   27 f   25.541   8.0247  -7.9765   8.8778 10.53431 16.04935 
1 1 1   -3   20   29 o  130.748   3.7964  173.181   9.8376 -5.538292 7.592895 
1 1 1   -3   20   30 o  134.328   3.8550  181.782   10.289 -0.9233856 7.709975 
1 1 1   -3   20   31 f   69.819   7.1813   50.514   9.9955 1.117973 14.36261 
1 1 1   -3   20   32 o  134.537   4.0139  183.290   10.704 -2.857498 8.027714 
1 1 1   -3   20   33 o   60.331   8.8999   39.645   10.324 -0.6139145 17.79977 
1 1 1   -3   20   34 o   45.884   10.166   22.554   10.333 -0.6511269 20.33251 
1 1 1   -3   20   35 o   90.015   6.0058   83.539   10.647 17.13604 12.01152 
1 1 1   -3   21    1 o  418.362   4.3465  1750.09   36.306 9.275818 8.693073 
1 1 1   -3   21    2 o  487.197   6.9777  2377.58   67.990      ?      ? 
1 1 1   -3   21    3 o  319.546   4.8733  1021.94   31.145      ?      ? 
1 1 1   -3   21    4 o  270.670   4.5185  733.133   24.461      ?      ? 
1 1 1   -3   21    5 o  379.376   3.2363  1434.59   21.008 2.738403 6.472536 
1 1 1   -3   21    6 o  244.799   2.6060  639.901   11.333 -39.02438 5.211989 
1 1 1   -3   21    7 o  193.488   2.8941  347.661   10.087 31.09052 5.788234 
1 1 1   -3   21    8 o  505.634   4.3898  2575.91   42.143 -10.22153 8.779644 
1 1 1   -3   21    9 o  409.107   3.7106  1679.13   28.541 -2.746429 7.421210 
1 1 1   -3   21   10 o  623.949   5.3512  3899.95   62.810 0.7703857 10.70247 
1 1 1   -3   21   11 o  152.771   3.9593  248.207   10.788 -22.73354 7.918679 
1 1 1   -3   21   12 o  477.814   4.9035  2285.71   46.819 -14.03552 9.807069 
1 1 1   -3   21   13 o  126.512   5.0883  175.631   11.213 -27.30402 10.17663 
1 1 1   -3   21   14 o  379.860   3.6421  1441.14   25.911 2.864044 7.284218 
1 1 1   -3   21   15 f  136.975   4.7408  197.575   11.817 -18.15241 9.481644 
1 1 1   -3   21   16 o  231.185   5.3734  535.506   24.845      ?      ? 
1 1 1   -3   21   17 o  229.259   3.2922  526.754   13.930 -0.2861481 6.584378 
1 1 1   -3   21   18 o  135.933   4.5735  193.312   11.082 -13.46445 9.146987 
1 1 1   -3   21   19 o  138.372   3.3268  191.901   9.2051 3.597992 6.653574 
1 1 1   -3   21   20 o  252.522   2.5520  638.757   12.888 -2.846970 5.103983 
1 1 1   -3   21   21 o  244.387   2.5566  598.472   12.494 -1.869217 5.113230 
1 1 1   -3   21   22 o   19.789   6.8300 -22.9532   8.8704 0.4485855 13.66008 
1 1 1   -3   21   23 o  191.518   4.2891  367.298   16.429      ?      ? 
1 1 1   -3   21   24 o   29.810   12.991  -1.8616   14.535      ?      ? 
1 1 1   -3   21   25 o  249.506   2.5890  624.341   12.917 -3.250137 5.177966 
1 1 1   -3   21   26 o  147.362   3.2707  218.937   9.6282 -3.696411 6.541472 
1 1 1   -3   21   27 o  236.361   2.6541  559.381   12.546 -1.380692 5.308196 
1 1 1   -3   21   28 o   32.027   8.7654   3.2805   8.8699 15.40393 17.53080 
1 1 1   -3   21   29 o  110.491   4.5525  126.317   9.8095 -17.14163 9.105004 
1 1 1   -3   21   30 o   18.992   6.6878 -34.1385   9.6150 5.512436 13.37565 
1 1 1   -3   21   31 o  151.151   3.5578  230.002   10.705 1.225891 7.115582 
1 1 1   -3   21   32 o  116.161   4.5482  134.653   10.476 13.75075 9.096381 
1 1 1   -3   21   33 o  146.048   3.8310  215.600   11.074 -2.002518 7.661973 
1 1 1   -3   21   34 o  126.722   4.2038  160.240   10.578 11.34009 8.407620 
1 1 1   -3   21   35 o   68.149   8.0488   57.342   10.490 14.43698 16.09753 
1 1 1   -3   22    1 o  453.125   4.7651  2049.11   42.915 13.59979 9.530249 
1 1 1   -3   22    2 o  286.934   4.5017  823.881   25.834      ?      ? 
1 1 1   -3   22    3 o  488.305   4.2443  2397.16   39.248 -6.432312 8.488552 
1 1 1   -3   22    4 o  472.365   3.8669  2257.53   31.994 -10.75183 7.733885 
1 1 1   -3   22    5 o  350.390   3.2095  1254.14   21.655 -29.63904 6.418959 
1 1 1   -3   22    6 o  462.930   3.8208  2144.51   30.492 0.1849670 7.641673 
1 1 1   -3   22    7 o  198.716   4.8295  395.275   19.194      ?      ? 
1 1 1   -3   22    8 o  262.987   2.9012  693.414   14.100 -1.344696 5.802302 
1 1 1   -3   22    9 o  434.718   3.8590  1909.96   31.904 -13.47940 7.718028 
1 1 1   -3   22   10 o  234.393   3.0290  555.943   12.981 -6.506744 6.057964 
1 1 1   -3   22   11 o  340.489   3.3216  1168.97   21.273 -7.325592 6.643184 
1 1 1   -3   22   12 o  172.989   3.6025  308.800   11.331 -13.21048 7.204939 
1 1 1   -3   22   13 o  139.267   4.5426  210.677   11.203 -28.31571 9.085294 
1 1 1   -3   22   14 o  288.362   3.2513  819.566   17.364 11.67929 6.502621 
1 1 1   -3   22   15 o  147.905   4.2108  223.299   11.331 -6.667633 8.421559 
1 1 1   -3   22   16 o  259.785   3.2167  678.287   15.323 -2.143768 6.433438 
1 1 1   -3   22   17 o  196.006   3.4628  387.883   12.091 -3.383194 6.925643 
1 1 1   -3   22   18 o  141.530   4.2142  202.557   10.599 -2.492447 8.428302 
1 1 1   -3   22   19 o  177.033   3.6356  310.739   11.513 4.476593 7.271293 
1 1 1   -3   22   20 o   47.119   7.9646   23.380   8.3121 -27.30037 15.92916 
1 1 1   -3   22   21 o  224.357   2.5388  505.094   11.381 -9.580704 5.077682 
1 1 1   -3   22   22 o  164.154   4.3076  269.785   14.142      ?      ? 
1 1 1   -3   22   23 o  144.820   3.4537  212.258   9.9204 -8.036545 6.907367 
1 1 1   -3   22   24 o   58.584   7.3764   36.080   8.3586 -7.961063 14.75278 
1 1 1   -3   22   25 o   87.130   5.0617   77.499   8.7685 -3.247688 10.12335 
1 1 1   -3   22   26 o  179.624   4.0917  323.137   14.699      ?      ? 
1 1 1   -3   22   27 o   96.637   4.8218   94.965   9.2698 -4.157555 9.643622 
1 1 1   -3   22   28 o  196.156   2.8779  386.868   11.238 -1.858734 5.755809 
1 1 1   -3   22   29 o   26.142   8.4192  -7.6622   9.6459 1.805616 16.83836 
1 1 1   -3   22   30 o   31.302   9.1985   1.4875   9.7003 9.346333 18.39707 
1 1 1   -3   22   31 o   41.207   10.053   16.597   9.9981 4.443073 20.10586 
1 1 1   -3   22   32 o  105.381   5.0000  113.118   10.390 -1.976624 9.999948 
1 1 1   -3   22   33 o  108.030   5.0242  121.346   10.528 -15.08063 10.04843 
1 1 1   -3   22   34 o   28.828   8.8112  -3.5240   9.6249 11.30035 17.62236 
1 1 1   -3   23    1 o  168.644   4.8664  284.702   16.414      ?      ? 
1 1 1   -3   23    2 f  243.921   3.0313  597.075   14.704 6.816040 6.062623 
1 1 1   -3   23    3 o  273.110   2.6771  746.851   13.787 -0.5876465 5.354156 
1 1 1   -3   23    4 o  144.596   2.8907  208.979   7.7393 0.4336853 5.781438 
1 1 1   -3   23    5 o  294.775   2.7228  880.149   13.806 -7.211945 5.445687 
1 1 1   -3   23    6 o  265.644   2.7974  724.265   14.022 -21.96332 5.594800 
1 1 1   -3   23    7 f  352.448   3.1076  1233.91   18.479 4.842834 6.215187 
1 1 1   -3   23    8 o  479.009   3.9441  2317.23   32.902 -8.408905 7.888207 
1 1 1   -3   23    9 o  108.977   5.0367  136.845   8.8087 -29.85740 10.07350 
1 1 1   -3   23   10 o  181.374   3.2250  330.554   10.464 -1.551437 6.449928 
1 1 1   -3   23   11 o   74.282   8.5277   74.469   9.6333 -43.04264 17.05545 
1 1 1   -3   23   12 o  170.811   6.0935  292.460   20.817      ?      ? 
1 1 1   -3   23   13 o  138.777   4.1265  175.951   10.566 31.06138 8.253052 
1 1 1   -3   23   14 o  232.614   3.1634  542.320   13.529 -0.3384857 6.326798 
1 1 1   -3   23   15 o  168.405   3.6679  284.305   10.977 -0.1670227 7.335793 
1 1 1   -3   23   16 o  230.632   3.1914  529.449   13.207 3.318848 6.382708 
1 1 1   -3   23   17 o  177.615   3.5501  311.452   11.006 5.446930 7.100156 
1 1 1   -3   23   18 o   65.886   8.9433   60.781   9.6576 -39.59371 17.88661 
1 1 1   -3   23   19 o  298.875   3.2702  888.699   17.878 5.717255 6.540447 
1 1 1   -3   23   21 o  279.497   3.3186  777.365   16.979 4.121582 6.637232 
1 1 1   -3   23   22 f   24.581   7.9368  -7.4554   8.7051 0.4528465 15.87359 
1 1 1   -3   23   23 o  145.499   3.1211  213.734   9.0182 -8.269394 6.242107 
1 1 1   -3   23   24 o  101.002   4.3224  104.412   8.5986 -5.539932 8.644699 
1 1 1   -3   23   25 o  148.436   4.3480  220.714   12.908      ?      ? 
1 1 1   -3   23   26 f   67.119   6.6225   46.322   8.8491 -3.000526 13.24499 
1 1 1   -3   23   27 o  102.295   4.6266  107.006   9.3324 -7.966644 9.253207 
1 1 1   -3   23   28 o  231.201   3.7265  536.383   17.232      ?      ? 
1 1 1   -3   23   29 o  256.867   2.7226  661.778   13.942 3.226212 5.445264 
1 1 1   -3   23   30 o  124.062   4.1753  156.132   10.256 -3.754395 8.350638 
1 1 1   -3   23   31 o  126.565   4.1176  163.989   10.236 -9.878937 8.235102 
1 1 1   -3   23   32 o   84.945   5.9716   71.750   9.9580 22.76756 11.94327 
1 1 1   -3   23   33 o   28.545   8.8225  -2.0700   9.6549 -2.160521 17.64502 
1 1 1   -3   24    1 o  302.250   4.8360  914.709   29.233      ?      ? 
1 1 1   -3   24    2 o  325.321   3.5201  1059.85   22.897 1.092163 7.040197 
1 1 1   -3   24    3 f  273.794   2.5236  739.731   11.780 7.152222 5.047192 
1 1 1   -3   24    4 o  228.512   2.4238  531.804   9.4947 -8.030457 4.847516 
1 1 1   -3   24    5 o  249.066   2.5119  632.768   10.799 -9.712662 5.023714 
1 1 1   -3   24    6 o  176.702   2.7877  304.394   8.8588 10.27820 5.575319 
1 1 1   -3   24    7 o  452.430   3.7592  2048.73   29.240 0.3553467 7.518320 
1 1 1   -3   24    8 o  181.851   3.0101  326.376   9.5605 5.158920 6.020268 
1 1 1   -3   24    9 o  224.215   4.9691  503.494   22.283      ?      ? 
1 1 1   -3   24   10 f  243.419   2.9794  576.602   13.018 15.12973 5.958786 
1 1 1   -3   24   12 o   63.748   8.5819   57.025   9.3618 -42.24469 17.16380 
1 1 1   -3   24   13 f  359.007   3.4544  1284.67   22.919 4.852325 6.908743 
1 1 1   -3   24   14 o  124.374   4.6456  162.372   9.8248 -11.25044 9.291147 
1 1 1   -3   24   15 o  112.634   4.8499  128.492   9.3897 -1.932060 9.699867 
1 1 1   -3   24   16 o   69.451   7.8395   47.568   9.1841 4.750809 15.67909 
1 1 1   -3   24   17 o  167.412   3.5175  274.729   10.313 7.726578 7.034982 
1 1 1   -3   24   18 o   38.627   9.7406   13.994   9.3168 -5.462749 19.48118 
1 1 1   -3   24   19 o   50.730   16.981   25.143   20.287      ?      ? 
1 1 1   -3   24   20 o  258.721   3.2790  667.122   15.466 3.084473 6.557910 
1 1 1   -3   24   21 o   49.199   8.7797   30.201   9.7889 -28.39435 17.55943 
1 1 1   -3   24   22 o  237.958   3.1936  568.938   13.805 -0.7181396 6.387142 
1 1 1   -3   24   23 o  188.241   2.7213  356.647   10.201 0.6140747 5.442669 
1 1 1   -3   24   24 f  267.649   3.7332  717.382   19.984      ?      ? 
1 1 1   -3   24   25 o   91.607   4.6814   84.232   8.5126 5.906494 9.362773 
1 1 1   -3   24   26 o  230.341   2.6322  530.123   12.048 8.832199 5.264489 
1 1 1   -3   24   27 f  128.948   3.8039  167.031   9.7122 2.372910 7.607887 
1 1 1   -3   24   28 o   82.837   5.9277   69.306   9.7548 6.088356 11.85543 
1 1 1   -3   24   29 o  117.569   4.4485  141.527   10.269 -8.746429 8.896950 
1 1 1   -3   24   30 o   89.524   5.5672   79.823   9.8409 15.51330 11.13438 
1 1 1   -3   24   31 o  108.783   4.6864  120.933   9.9705 -4.736481 9.372718 
1 1 1   -3   24   32 o   38.130   10.000   12.391   10.014 3.427418 20.00073 
1 1 1   -3   25    1 f  117.987   6.2773  139.546   14.813      ?      ? 
1 1 1   -3   25    2 o  305.359   3.4235  929.757   20.855 18.35168 6.846988 
1 1 1   -3   25    3 o  363.806   3.0769  1340.38   19.664 -9.064789 6.153720 
1 1 1   -3   25    4 o  386.993   3.4800  1470.49   24.648 18.28671 6.959952 
1 1 1   -3   25    5 o  153.885   2.8757  257.462   7.1466 -23.35815 5.751431 
1 1 1   -3   25    6 o  186.699   2.7287  336.538   9.2223 15.16986 5.457371 
1 1 1   -3   25    7 o  235.945   2.6212  521.461   9.8337 24.72447 5.242474 
1 1 1   -3   25    8 o  376.851   3.2403  1436.65   21.109 -7.704651 6.480697 
1 1 1   -3   25    9 o  273.349   2.7633  761.774   12.709 -9.385040 5.526654 
1 1 1   -3   25   10 o  219.089   2.9532  483.202   11.580 -2.611679 5.906345 
1 1 1   -3   25   11 o  306.907   3.1258  949.307   17.774 -5.120483 6.251519 
1 1 1   -3   25   12 o  474.984   4.2029  2257.17   37.294 3.794769 8.405718 
1 1 1   -3   25   13 o  419.157   3.8012  1771.81   29.983 -6.790192 7.602360 
1 1 1   -3   25   14 o  303.924   3.1574  930.967   17.740 -4.417633 6.314700 
1 1 1   -3   25   15 o  110.627   4.9922  127.941   9.1943 -8.191147 9.984324 
1 1 1   -3   25   16 o  127.676   4.4048  167.866   9.2860 -5.842644 8.809668 
1 1 1   -3   25   17 o   53.788   16.330   30.762   19.105      ?      ? 
1 1 1   -3   25   18 o  302.693   3.2267  881.439   17.627 26.74521 6.453373 
1 1 1   -3   25   19 o  128.935   4.8499  189.320   10.260 -32.06712 9.699807 
1 1 1   -3   25   20 o  126.937   4.7218  168.878   9.9741 -9.798607 9.443503 
1 1 1   -3   25   21 o   77.776   7.0481   57.667   9.5301 9.680855 14.09618 
1 1 1   -3   25   22 f  138.346   7.0986  193.377   19.641      ?      ? 
1 1 1   -3   25   23 f   92.655   5.9531   68.875   9.7755 57.24419 11.90619 
1 1 1   -3   25   24 o  108.923   5.6831  137.869   9.9929 -30.31294 11.36622 
1 1 1   -3   25   25 o   63.298   7.1019   42.165   8.6210 -6.787174 14.20388 
1 1 1   -3   25   26 o   22.684   7.5823 -14.2029   8.9390 4.455521 15.16454 
1 1 1   -3   25   27 o  170.764   3.0618  292.864   10.408 1.394623 6.123536 
1 1 1   -3   25   28 o   80.822   6.2135   65.477   9.9395 13.11733 12.42699 
1 1 1   -3   25   29 o   50.354   9.6080   27.812   9.7906 0.5514984 19.21593 
1 1 1   -3   25   30 f   55.149   8.5355   35.339   9.4182 -24.95921 17.07100 
1 1 1   -3   25   31 o   81.977   5.9097   67.939   9.5634 3.712860 11.81932 
1 1 1   -3   26    1 o  162.575   4.8450  264.836   15.754      ?      ? 
1 1 1   -3   26    2 o  149.835   4.9629  224.992   14.872      ?      ? 
1 1 1   -3   26    3 o  167.256   3.5557  280.071   11.894      ?      ? 
1 1 1   -3   26    4 o  163.072   2.5013  281.299   7.4507 -25.23608 5.002556 
1 1 1   -3   26    5 f  150.013   2.7204  229.527   6.5859 -4.840454 5.440722 
1 1 1   -3   26    6 o   98.465   3.8537   94.005   6.0019 5.170265 7.707392 
1 1 1   -3   26    7 o  252.533   2.5658  628.566   10.699 6.788666 5.131698 
1 1 1   -3   26    8 o   93.481   4.1855   81.921   6.0593 9.510223 8.371006 
1 1 1   -3   26    9 o  205.113   2.6592  423.409   8.7361 -1.864548 5.318482 
1 1 1   -3   26   10 o  411.487   3.4791  1717.34   24.888 -10.16998 6.958230 
1 1 1   -3   26   11 o   95.181   5.0878   92.047   8.2435 -2.056236 10.17552 
1 1 1   -3   26   12 o   59.765   8.4341   44.884   8.1802 -23.28653 16.86822 
1 1 1   -3   26   13 o  337.149   3.2730  1142.57   20.443 -2.222198 6.545944 
1 1 1   -3   26   14 o  165.831   3.4151  267.943   9.6635 8.929337 6.830276 
1 1 1   -3   26   15 o  137.436   4.0094  172.938   9.5137 23.87392 8.018844 
1 1 1   -3   26   16 o  250.472   3.2531  673.820   15.062 -61.63982 6.506269 
1 1 1   -3   26   17 o  246.558   5.3307  610.252   26.287      ?      ? 
1 1 1   -3   26   18 o  205.193   3.1642  436.430   11.756 -16.69112 6.328392 
1 1 1   -3   26   19 o  195.827   3.3072  387.965   11.441 -3.399963 6.614422 
1 1 1   -3   26   20 o  120.196   5.0428  158.303   9.9697 -18.05408 10.08551 
1 1 1   -3   26   21 o  247.514   5.2895  614.274   26.184      ?      ? 
1 1 1   -3   26   23 o  105.731   5.5308  123.809   9.6561 -18.70903 11.06154 
1 1 1   -3   26   24 o  139.980   4.5489  210.112   10.599 -17.24980 9.097755 
1 1 1   -3   26   25 o  143.625   4.3651  209.814   10.797 -2.003372 8.730119 
1 1 1   -3   26   26 o   54.882   10.123   32.537   10.284 -0.2763863 20.24622 
1 1 1   -3   26   27 o  116.605   4.1114  138.685   9.4798 -9.737511 8.222711 
1 1 1   -3   26   28 o  101.935   4.7816  105.809   9.6352 -2.083435 9.563298 
1 1 1   -3   26   29 o   34.364   9.4724   6.4924   9.4928 11.67248 18.94481 
1 1 1   -3   26   30 o   70.479   6.8796   48.389   9.4373 21.04438 13.75926 
1 1 1   -3   27    1 o  223.966   4.2798  502.500   19.171      ?      ? 
1 1 1   -3   27    2 o  211.232   4.2019  446.967   17.752      ?      ? 
1 1 1   -3   27    3 o  298.543   2.8043  886.926   15.652 5.229584 5.608693 
1 1 1   -3   27    4 o  204.236   2.1714  410.367   7.5795 6.611847 4.342865 
1 1 1   -3   27    5 o  340.071   2.9472  1148.73   16.999 5.171112 5.894446 
1 1 1   -3   27    6 o  113.078   3.2709  128.540   5.7442 -0.6809616 6.541829 
1 1 1   -3   27    7 o  107.153   3.5449  114.200   5.7788 1.177345 7.089753 
1 1 1   -3   27    8 o   87.679   4.6990   83.133   5.8291 -9.776215 9.398028 
1 1 1   -3   27    9 o   76.251   5.7617   67.145   5.8760 -15.51704 11.52342 
1 1 1   -3   27   10 o  110.159   3.9006  119.567   6.2865 2.759277 7.801124 
1 1 1   -3   27   11 o  232.352   2.7151  556.513   10.232 -11.76251 5.430163 
1 1 1   -3   27   12 o  307.578   3.1191  934.935   17.348 10.41983 6.238234 
1 1 1   -3   27   13 o   79.692   11.184   64.831   17.825      ?      ? 
1 1 1   -3   27   14 o  227.676   5.1518  519.193   23.459      ?      ? 
1 1 1   -3   27   15 o   61.611   8.6024   43.694   8.5123 -13.57259 17.20484 
1 1 1   -3   27   16 f   43.896   8.1111   24.224   8.1988 -24.86298 16.22217 
1 1 1   -3   27   17 o   98.467   5.6581  102.720   8.8374 -8.350716 11.31620 
1 1 1   -3   27   18 o  137.926   4.3833  195.700   9.8042 -5.366562 8.766505 
1 1 1   -3   27   19 o  101.430   7.7682  145.544   10.023 -60.31015 15.53636 
1 1 1   -3   27   20 o  343.043   5.6977  1181.45   39.091      ?      ? 
1 1 1   -3   27   21 o  205.120   3.3392  437.045   12.305 -16.29927 6.678463 
1 1 1   -3   27   22 o   22.619   7.8708 -21.6125   9.5481 8.803263 15.74157 
1 1 1   -3   27   23 o  120.799   4.9133  139.533   10.171 11.72452 9.826576 
1 1 1   -3   27   24 o  103.319   5.8313  108.906   10.048 -0.7428665 11.66260 
1 1 1   -3   27   25 o   29.894   9.0662  -0.5040   10.090 -5.236460 18.13246 
1 1 1   -3   27   26 o  129.736   5.1330  178.300   11.157 -11.55687 10.26599 
1 1 1   -3   27   27 o   77.565   7.5474   56.535   10.413 14.85377 15.09470 
1 1 1   -3   27   28 o   88.010   6.8576   77.467   10.530 3.882645 13.71523 
1 1 1   -3   28    1 o  210.486   4.1642  444.067   17.530      ?      ? 
1 1 1   -3   28    3 o  223.420   2.7572  499.693   12.320      ?      ? 
1 1 1   -3   28    4 o  233.395   2.1868  555.851   9.1352 -10.27057 4.373635 
1 1 1   -3   28    5 o  106.347   2.7682  109.017   4.9981 7.500778 5.536392 
1 1 1   -3   28    6 o  219.028   2.3664  472.633   8.5318 6.112183 4.732727 
1 1 1   -3   28    7 o  170.151   2.5113  288.401   6.7733 1.396179 5.022583 
1 1 1   -3   28    8 o  122.010   3.3449  157.166   6.0374 -9.818726 6.689899 
1 1 1   -3   28    9 o  217.559   2.7194  478.974   10.694 -4.961884 5.438730 
1 1 1   -3   28   10 o   21.690   6.6792  -3.7651   6.1520 -6.239357 13.35834 
1 1 1   -3   28   11 o  104.835   8.6034  110.522   18.039      ?      ? 
1 1 1   -3   28   12 o  156.933   6.4649  246.946   20.291      ?      ? 
1 1 1   -3   28   13 o  219.293   3.1530  485.430   11.847 -2.625793 6.306099 
1 1 1   -3   28   14 o  160.710   3.5178  266.477   9.4011 -8.265671 7.035654 
1 1 1   -3   28   15 o   98.184   5.2352  101.031   8.4409 -7.021675 10.47043 
1 1 1   -3   28   16 o   48.264   9.0004   26.961   8.5714 -13.68556 18.00074 
1 1 1   -3   28   17 o  145.336   7.3677  214.833   21.416      ?      ? 
1 1 1   -3   28   18 o  314.210   5.6682  990.267   35.620      ?      ? 
1 1 1   -3   28   19 o  127.416   8.3731  165.603   21.337      ?      ? 
1 1 1   -3   28   20 o  147.858   4.1947  220.826   10.203 -0.7508240 8.389453 
1 1 1   -3   28   21 o  245.960   3.3235  617.389   14.469 -8.829346 6.646919 
1 1 1   -3   28   22 o  212.530   3.4888  452.136   12.723 1.589249 6.977597 
1 1 1   -3   28   23 o   46.050   9.4500   25.711   9.7517 -18.62058 18.90003 
1 1 1   -3   28   24 o   45.121   9.9037   23.513   9.9993 -12.95673 19.80743 
1 1 1   -3   28   25 o  116.387   5.3943  128.447   10.600 14.09367 10.78852 
1 1 1   -3   28   26 o   83.161   7.3094   66.603   10.481 9.919708 14.61877 
1 1 1   -3   28   27 o  181.059   3.8055  332.257   12.097 -2.769638 7.611026 
1 1 1   -3   28   28 o   35.540   10.820   1.3072   10.540 16.84298 21.64075 
1 1 1   -3   29    1 o  305.901   4.7878  939.175   29.292      ?      ? 
1 1 1   -3   29    2 o  210.683   2.6959  444.401   11.360      ?      ? 
1 1 1   -3   29    3 o  150.017   2.7821  225.356   8.3473      ?      ? 
1 1 1   -3   29    4 o  127.592   3.0333  163.092   7.7405      ?      ? 
1 1 1   -3   29    5 o  126.475   2.7515  173.410   6.1656 -24.80397 5.502944 
1 1 1   -3   29    6 o  206.282   2.3906  446.256   8.4140 -19.23750 4.781249 
1 1 1   -3   29    7 o  184.321   2.5708  329.125   8.5545 13.52191 5.141687 
1 1 1   -3   29    8 o  423.590   3.5542  1773.97   25.540 9.876434 7.108325 
1 1 1   -3   29    9 o  276.818   4.7643  767.573   26.377      ?      ? 
1 1 1   -3   29   10 o  330.381   2.9736  1136.36   17.323 -27.62851 5.947280 
1 1 1   -3   29   11 o  242.928   2.6966  598.917   10.556 -5.202469 5.393220 
1 1 1   -3   29   12 o   53.062   7.9378   37.334   5.8805 -20.79948 15.87564 
1 1 1   -3   29   13 o  210.136   2.8822  442.550   9.1117 -0.8360291E-01 5.764391 
1 1 1   -3   29   14 o  106.444   5.1088  120.394   8.6096 -9.403793 10.21758 
1 1 1   -3   29   15 o   71.491   12.850   54.577   17.705      ?      ? 
1 1 1   -3   29   16 o  266.619   5.0593  712.566   26.978      ?      ? 
1 1 1   -3   29   17 o  142.701   4.3754  228.283   10.171 -29.79757 8.750898 
1 1 1   -3   29   18 o  265.988   3.1944  710.531   15.140 0.2398071 6.388867 
1 1 1   -3   29   19 o  155.710   4.0894  249.232   10.167 -5.754333 8.178768 
1 1 1   -3   29   20 o   73.897   8.0093   52.065   9.3087 8.650261 16.01853 
1 1 1   -3   29   21 o   34.155   9.8763   6.9256   9.4930 3.408028 19.75257 
1 1 1   -3   29   22 o   73.259   8.3761   57.423   9.5694 -4.525520 16.75216 
1 1 1   -3   29   23 o   68.755   8.7411   46.502   9.7915 6.914658 17.48216 
1 1 1   -3   29   24 o   61.727   9.7738   43.075   10.079 -8.285782 19.54754 
1 1 1   -3   29   25 o   82.788   7.9808   74.692   10.208 -8.265030 15.96156 
1 1 1   -3   29   26 o   77.016   7.4050   54.552   10.061 16.34879 14.81002 
1 1 1   -3   29   27 o   95.854   6.7157   96.174   10.196 -3.944923 13.43146 
1 1 1   -3   30    1 o  293.159   4.7121  860.545   27.628      ?      ? 
1 1 1   -3   30    2 o  181.560   2.7645  329.794   10.038      ?      ? 
1 1 1   -3   30    3 o  358.329   3.7232  1285.23   26.683      ?      ? 
1 1 1   -3   30    4 o  317.997   3.3924  1012.27   21.576      ?      ? 
1 1 1   -3   30    5 o  223.589   2.4045  499.771   10.092 1.191849 4.808911 
1 1 1   -3   30    6 o  158.039   2.6271  246.384   7.4175 5.726379 5.254189 
1 1 1   -3   30    7 o   82.342   4.2678   66.523   6.1161 4.247246 8.535580 
1 1 1   -3   30    8 o  220.082   2.4490  492.133   8.8537 -5.612000 4.898001 
1 1 1   -3   30    9 o  298.510   2.7834  886.313   13.767 4.000275 5.566804 
1 1 1   -3   30   10 o  104.081   4.1643  113.985   5.7268 -6.792664 8.328519 
1 1 1   -3   30   11 o  143.094   3.2602  208.191   6.4470 -2.832382 6.520366 
1 1 1   -3   30   12 o  112.829   4.3094  134.208   6.4396 -7.024590 8.618802 
1 1 1   -3   30   13 o  178.195   3.2446  342.989   8.3944 -20.59587 6.489232 
1 1 1   -3   30   14 o  202.867   3.0477  377.374   10.513 32.10555 6.095335 
1 1 1   -3   30   15 o  102.865   6.1301  144.482   8.6323 -56.74163 12.26026 
1 1 1   -3   30   16 o   64.853   8.2415   52.362   8.0124 -21.54044 16.48293 
1 1 1   -3   30   17 o  145.124   4.0683  227.317   9.4488 -18.20117 8.136550 
1 1 1   -3   30   18 o  179.492   3.5012  321.309   10.509 1.978500 7.002305 
1 1 1   -3   30   19 o   77.833   8.3759   73.316   9.1605 -20.48460 16.75183 
1 1 1   -3   30   20 o  184.256   3.6317  352.103   11.218 -10.97316 7.263429 
1 1 1   -3   30   21 o   66.677   9.0563   49.271   9.4192 -7.553944 18.11261 
1 1 1   -3   30   22 o  149.567   4.3237  218.291   10.355 8.000351 8.647322 
1 1 1   -3   30   23 o   98.665   6.3917   94.599   9.9208 7.066620 12.78335 
1 1 1   -3   30   24 o   43.270   10.074   20.379   9.8241 -7.694233 20.14877 
1 1 1   -3   30   25 o   87.706   6.5373   71.055   9.7843 15.31398 13.07453 
1 1 1   -3   30   26 o   84.878   6.5569   72.821   9.2302 8.139717 13.11378 
1 1 1   -3   31    1 o  234.587   2.7848  551.137   13.066      ?      ? 
1 1 1   -3   31    2 o  139.313   2.7537  194.371   7.6726      ?      ? 
1 1 1   -3   31    3 o  114.129   3.0370  130.500   6.9322      ?      ? 
1 1 1   -3   31    4 o  313.737   3.3279  986.612   20.882      ?      ? 
1 1 1   -3   31    5 o  129.832   2.7110  168.823   7.0395      ?      ? 
1 1 1   -3   31    6 o   87.453   3.0546   77.122   4.2890 -0.8678360 6.109124 
1 1 1   -3   31    7 o  154.746   2.3889  236.191   5.8352 3.872162 4.777869 
1 1 1   -3   31    8 o  104.980   3.1692  104.764   5.1322 8.971138 6.338489 
1 1 1   -3   31    9 o   34.026   8.1238   7.1678   5.2295 19.86762 16.24767 
1 1 1   -3   31   10 o  270.857   2.6642  709.088   11.692 15.80136 5.328331 
1 1 1   -3   31   11 o  245.695   4.8004  605.189   23.589      ?      ? 
1 1 1   -3   31   12 o  144.833   3.4536  222.639   7.1561 -12.10570 6.907102 
1 1 1   -3   31   13 o  165.710   3.2228  310.745   7.7822 -31.69577 6.445508 
1 1 1   -3   31   14 o  100.991   5.1892  118.614   6.4692 -19.98515 10.37845 
1 1 1   -3   31   15 o  118.086   4.2337  136.838   7.6213 4.352654 8.467440 
1 1 1   -3   31   16 o  188.171   5.6455  356.334   21.246      ?      ? 
1 1 1   -3   31   17 o  135.675   4.4181  201.528   9.1958 -18.60651 8.836249 
1 1 1   -3   31   18 o  288.822   3.2687  840.162   16.775 -1.626648 6.537375 
1 1 1   -3   31   19 o   93.848   6.7244  100.645   9.1081 -17.63673 13.44888 
1 1 1   -3   31   20 o   47.823   9.4309   27.331   9.0597 -15.07775 18.86173 
1 1 1   -3   31   21 o  278.886   3.3330  773.968   16.253 6.184906 6.665999 
1 1 1   -3   31   22 o   58.307   9.9175   33.868   9.3929 7.079128 19.83494 
1 1 1   -3   31   23 o   68.088   9.0017   47.854   9.4787 0.6214142E-01 18.00334 
1 1 1   -3   31   24 o   56.744   9.5504   32.807   9.0748 4.981030 19.10084 
1 1 1   -3   32    3 o  117.336   3.1076  137.977   7.2928      ?      ? 
1 1 1   -3   32    4 o  113.073   3.1854  128.044   7.2036      ?      ? 
1 1 1   -3   32    6 o  288.384   3.0808  831.451   17.749 -11.71948 6.161585 
1 1 1   -3   32    7 f  292.856   3.2423  856.051   18.905 12.68130 6.484667 
1 1 1   -3   32    8 o  224.996   2.9722  506.421   13.301 7.067322 5.944390 
1 1 1   -3   32    9 o  183.387   3.0836  338.812   11.243 -25.25560 6.167140 
1 1 1   -3   32   10 o  252.957   3.1200  642.002   15.765 -17.13235 6.239951 
1 1 1   -3   32   11 o  232.406   3.2132  544.364   14.876 -26.04674 6.426426 
1 1 1   -3   32   12 o  189.801   3.4571  365.960   12.896 -10.89394 6.914175 
1 1 1   -3   32   13 o  230.202   2.8313  420.857   9.5408 71.68378 5.662584 
1 1 1   -3   32   14 o  147.382   3.6732  241.329   7.1016 -21.07785 7.346377 
1 1 1   -3   32   15 o   83.470   5.7848   70.598   6.1933 -0.4143448 11.56954 
1 1 1   -3   32   16 o  110.134   5.1044  139.134   6.9256 -19.66474 10.20877 
1 1 1   -3   32   17 o   83.800   7.9540   90.817   8.5263 -31.00629 15.90796 
1 1 1   -3   32   18 o  186.523   3.4975  341.038   10.556 7.836945 6.995085 
1 1 1   -3   32   19 o  105.994   5.3657  105.785   8.9620 12.17508 10.73133 
1 1 1   -3   32   20 o   36.671   10.255   5.7339   8.8591 19.16662 20.50904 
1 1 1   -3   32   21 o   73.972   8.6222   62.430   9.1792 -12.35762 17.24439 
1 1 1   -3   32   22 o  187.102   3.6088  353.501   11.039 -1.659958 7.217544 
1 1 1   -3   32   23 f   70.092   15.055   63.513   20.498      ?      ? 
1 1 1   -3   33    3 o   92.799   3.4567   86.412   6.4155      ?      ? 
1 1 1   -3   33    7 o  159.746   2.6162  256.923   8.2569 -2.831757 5.232385 
1 1 1   -3   33    8 o  115.385   3.5982  137.952   7.9780 -14.37678 7.196330 
1 1 1   -3   33    9 o  109.298   4.0104  119.148   8.5736 4.833466 8.020803 
1 1 1   -3   33   10 o  186.419   3.1624  349.760   11.706 -4.237610 6.324888 
1 1 1   -3   33   11 o  192.355   3.2708  374.076   12.426 -7.125687 6.541578 
1 1 1   -3   33   12 f  226.778   3.2359  518.228   14.534 -0.4531097 6.471881 
1 1 1   -3   33   13 o  117.853   4.7798  140.030   10.726 1.180397 9.559661 
1 1 1   -3   33   14 f   90.885   6.3810   84.692   10.995 -0.7603226 12.76196 
1 1 1   -3   33   15 o  130.050   4.7679  171.942   11.884 -1.820709 9.535782 
1 1 1   -3   33   16 o  190.243   3.1644  364.806   8.3953 -1.263519 6.328792 
1 1 1   -3   33   17 o  133.230   4.0220  171.709   7.0933 6.697495 8.043921 
1 1 1   -3   33   18 o   38.705   10.159   10.141   8.1268 16.31477 20.31804 
1 1 1   -3   33   19 o  178.607   3.5899  321.839   10.263 -1.211838 7.179702 
1 1 1   -3   33   20 f  108.224   5.4339  125.282   8.8177 -10.05054 10.86772 
1 1 1   -3   33   21 o  243.406   3.2082  606.606   13.489 -7.892822 6.416427 
1 1 1   -3   34    7 o  208.570   3.4775  436.700   14.506      ?      ? 
1 1 1   -3   34    8 o  182.486   2.7506  336.560   9.9112 -6.527863 5.501266 
1 1 1   -3   34    9 o   92.376   4.5056   85.032   8.0069 4.703316 9.011126 
1 1 1   -3   34   10 o  110.516   4.2572  124.381   9.2052 -4.919113 8.514444 
1 1 1   -3   34   11 o  148.231   3.6450  223.722   10.615 -8.939224 7.289926 
1 1 1   -3   34   12 o  188.142   3.4847  361.174   12.805 -12.89186 6.969458 
1 1 1   -3   34   13 o  331.877   3.7381  1108.87   24.675 6.240448 7.476277 
1 1 1   -3   34   14 o  231.183   3.4793  538.899   15.795 -0.2987671E-01 6.958533 
1 1 1   -3   34   15 o  214.475   3.5497  459.405   14.927 9.427917 7.099426 
1 1 1   -3   34   16 o   81.164   8.3994   78.441   11.671 -35.79591 16.79880 
1 1 1   -3   34   17 o   81.783   8.0940   74.246   12.021 -22.77396 16.18790 
1 1 1   -3   34   18 o  247.471   3.5436  616.456   17.434 -0.9948730E-02 7.087234 
1 1 1   -3   34   19 o   92.910   5.8913  100.120   7.7020 -18.94884 11.78254 
1 1 1   -3   35    8 o  292.957   4.4446  863.382   26.042      ?      ? 
1 1 1   -3   35    9 o  313.083   3.4089  985.385   21.283 7.452362 6.817736 
1 1 1   -3   35   10 o  144.338   3.4170  212.897   9.5894 -9.721436 6.834055 
1 1 1   -3   35   11 o   47.152   9.2945   23.876   8.9293 4.463512 18.58893 
1 1 1   -3   35   12 o  133.262   4.0760  180.086   10.592 -2.465332 8.151906 
1 1 1   -3   35   13 o   66.727   8.7072   55.088   10.427 -34.43178 17.41431 
1 1 1   -3   35   14 o  167.444   3.7091  284.775   12.075 -5.844467 7.418111 
1 1 1   -3   35   15 o  141.613   4.1400  203.238   11.439 -3.407074 8.280016 
1 1 1   -3   35   16 o  155.383   3.8693  244.636   11.791 -3.969223 7.738685 
1 1 1   -3   35   17 o   86.576   6.5092   86.235   10.477 -26.92096 13.01836 
1 1 1   -3   36    9 o  239.269   3.9389  575.297   18.849      ?      ? 
1 1 1   -3   36   10 o  139.193   3.4691  197.999   9.3378 -8.556427 6.938208 
1 1 1   -3   36   11 o   85.930   5.4186   72.485   9.0552 11.87843 10.83715 
1 1 1   -3   36   12 o  152.410   3.6346  233.575   10.788 0.5585938 7.269195 
1 1 1   -3   36   13 o   64.398   7.7188   43.141   9.5302 1.348385 15.43755 
1 1 1   -3   36   14 o  261.494   3.2461  691.906   16.943 -3.582458 6.492218 
1 1 1   -3   37    9 o  239.268   3.9855  575.056   19.072      ?      ? 
1 1 1   -3   37   10 o  131.909   4.3802  175.243   11.556      ?      ? 
1 1 1   -3   37   11 o   52.104   10.032   32.381   10.082      ?      ? 
1 1 1   -2    0    2 o  552.905   5.3556  3060.70   59.197 -0.000000 0.000000 
1 1 1   -2    0    3 o  870.450   8.4191  7590.12  146.460 -0.000000 0.000000 
1 1 1   -2    0    4 o  479.165   4.6564  2296.73   44.580 -0.000000 0.000000 
1 1 1   -2    0    5 f  218.234   2.3138  476.497   10.088 -0.000000 0.000000 
1 1 1   -2    0    6 o   51.096   4.2431   27.359   4.2015 -0.000000 0.000000 
1 1 1   -2    0    7 o  462.573   4.5290  2141.52   41.877 -0.000000 0.000000 
1 1 1   -2    0    8 o  515.381   5.0378  2658.82   51.905 -0.000000 0.000000 
1 1 1   -2    0    9 o  175.510   2.5666  308.416   8.9965 -0.000000 0.000000 
1 1 1   -2    0   10 o  437.572   4.3442  1916.53   37.998 -0.000000 0.000000 
1 1 1   -2    0   11 o  290.030   3.1649  842.086   18.349 -0.000000 0.000000 
1 1 1   -2    0   12 o  409.998   4.1379  1682.96   33.911 -0.000000 0.000000 
1 1 1   -2    0   13 o  546.569   5.3920  2991.91   58.899 -0.000000 0.000000 
1 1 1   -2    0   14 o   31.737   11.025   13.647   9.0440 -0.000000 0.000000 
1 1 1   -2    0   15 o   29.562   11.537   12.316   9.7971 -0.000000 0.000000 
1 1 1   -2    0   16 o  286.940   3.4868  823.986   19.983 -0.000000 0.000000 
1 1 1   -2    0   17 o  172.322   3.8513  296.115   13.189 -0.000000 0.000000 
1 1 1   -2    0   18 o  693.541   6.8264  4818.21   94.640 -0.000000 0.000000 
1 1 1   -2    0   19 o  161.910   4.7727  263.142   15.380 -0.000000 0.000000 
1 1 1   -2    0   20 o  372.331   4.2076  1387.29   31.285 -0.000000 0.000000 
1 1 1   -2    0   21 o   28.367   12.944   1.3378   16.445 -0.000000 0.000000 
1 1 1   -2    0   23 f  279.242   4.4031  781.102   24.472 -0.000000 0.000000 
1 1 1   -2    0   24 o  113.334   8.7525  130.310   18.528 -0.000000 0.000000 
1 1 1   -2    0   25 o  244.336   4.5994  598.997   22.420 -0.000000 0.000000 
1 1 1   -2    0   26 o   80.466   13.204   74.503   18.396 -0.000000 0.000000 
1 1 1   -2    0   27 f  121.773   7.8192  153.601   18.424 -0.000000 0.000000 
1 1 1   -2    0   28 o  289.626   4.4293  843.869   25.518 -0.000000 0.000000 
1 1 1   -2    0   29 o   23.274   15.928 -11.2110   22.236 -0.000000 0.000000 
1 1 1   -2    0   30 f   30.308   13.396   6.9404   16.109 -0.000000 0.000000 
1 1 1   -2    0   31 o   83.905   10.657   77.235   15.968 -0.000000 0.000000 
1 1 1   -2    0   32 o  101.140   8.1549  106.500   16.051 -0.000000 0.000000 
1 1 1   -2    0   34 o   24.559   11.604  -5.8428   15.417 -0.000000 0.000000 
1 1 1   -2    0   35 o  243.048   4.3406  598.428   20.818 -0.000000 0.000000 
1 1 1   -2    0   37 f   19.144   9.7489 -28.7280   15.736 -0.000000 0.000000 
1 1 1   -2    0   38 o   74.129   13.147   70.954   16.709 -0.000000 0.000000 
1 1 1   -2    0   39 o   47.197   16.003   35.111   17.181 -0.000000 0.000000 
1 1 1   -2    0   40 o   27.791   12.902  -5.8815   17.323 -0.000000 0.000000 
1 1 1   -2    0   41 o   89.848   9.9473   86.752   16.790 -0.000000 0.000000 
1 1 1   -2    0   42 o   72.796   12.148   65.833   15.188 -0.000000 0.000000 
1 1 1   -2    1    2 o  177.332   1.6462  296.626   5.1743 21.26787 3.292334 
1 1 1   -2    1    3 o  330.861   2.2899  1094.79   15.151 -3.121002 4.579747 
1 1 1   -2    1    4 o  411.507   2.8344  1693.96   23.327 1.116089 5.668711 
1 1 1   -2    1    5 o  529.444   3.6320  2804.12   38.453 5.707886 7.264008 
1 1 1   -2    1    6 o  474.141   3.2685  2245.14   30.952 15.02539 6.536909 
1 1 1   -2    1    7 f   97.798   2.7004   95.656   5.2818      ?      ? 
1 1 1   -2    1    8 o  444.352   3.0913  1975.00   27.471 2.678162 6.182645 
1 1 1   -2    1    9 f  218.965   1.8706  479.546   8.1911 -0.9004822 3.741115 
1 1 1   -2    1   10 o  296.749   2.2430  880.762   13.312 -2.514618 4.486029 
1 1 1   -2    1   11 o  271.385   2.1480  736.738   11.659 0.9306946 4.296096 
1 1 1   -2    1   12 o  141.916   2.2556  201.505   6.4008 -0.5092621 4.511142 
1 1 1   -2    1   13 o  323.570   2.4515  1047.51   15.864 1.736725 4.903056 
1 1 1   -2    1   14 o   88.854   3.6873   79.085   6.5492 -2.708427 7.374527 
1 1 1   -2    1   15 o  182.456   2.3531  332.950   8.5852 4.245483 4.706121 
1 1 1   -2    1   16 o  416.573   3.7132  1746.47   29.447 -7.673889 7.426449 
1 1 1   -2    1   17 f   83.740   5.0199   70.395   8.3849 6.030022 10.03976 
1 1 1   -2    1   18 o   83.414   5.5582   69.674   9.2686 3.456535 11.11639 
1 1 1   -2    1   19 o   27.030   8.6508  -8.4061   10.104 1.132198 17.30163 
1 1 1   -2    1   20 o  336.780   2.8418  1134.23   19.136 4.954437 5.683578 
1 1 1   -2    1   21 o  328.328   2.9627  1078.04   19.451 -8.493500 5.925317 
1 1 1   -2    1   22 o  157.688   4.2148  248.827   13.291 -2.608521 8.429656 
1 1 1   -2    1   23 o  481.896   3.6430  2323.97   35.109 -0.7155762 7.286040 
1 1 1   -2    1   24 f  132.613   5.0601  176.719   13.340 17.46219 10.12016 
1 1 1   -2    1   25 o  155.476   4.4379  242.422   13.777 -9.943924 8.875792 
1 1 1   -2    1   26 o  246.872   3.8190  606.830   17.948 4.455887 7.637964 
1 1 1   -2    1   27 o  197.199   4.2538  389.767   16.047 -0.2283783 8.507505 
1 1 1   -2    1   28 f  184.727   5.3537  341.849   19.779      ?      ? 
1 1 1   -2    1   29 o  161.486   4.0328  261.691   13.016 7.620880 8.065561 
1 1 1   -2    1   30 f  108.751   5.3397  118.933   11.608 4.894341 10.67931 
1 1 1   -2    1   31 o  172.873   4.1573  299.540   13.815 -1.378754 8.314627 
1 1 1   -2    1   32 o   51.503   10.431   28.211   11.364 6.523994 20.86108 
1 1 1   -2    1   33 o  265.561   4.2915  705.997   22.793      ?      ? 
1 1 1   -2    1   34 o   47.465   10.269   23.180   10.977 12.20887 20.53732 
1 1 1   -2    1   35 o   49.053   10.232   26.742   11.084 -13.15226 20.46442 
1 1 1   -2    1   37 o   36.645   10.280   8.7330   11.259 -2.279564 20.56059 
1 1 1   -2    1   38 o   66.296   9.2890   47.888   11.875 -2.374664 18.57793 
1 1 1   -2    1   39 o   50.595   10.407   26.688   12.103 22.89859 20.81369 
1 1 1   -2    1   40 f   86.803   7.1484   78.110   12.373 8.561417 14.29675 
1 1 1   -2    1   41 o  106.303   5.6360  115.055   11.928 13.28999 11.27194 
1 1 1   -2    1   42 o   60.899   8.9167   43.402   10.506 5.017906 17.83343 
1 1 1   -2    2    1 o  762.503   10.432  5828.46  159.090      ?      ? 
1 1 1   -2    2    2 o  260.836   2.5775  680.490   13.445 2.046539 5.155072 
1 1 1   -2    2    3 o  486.416   3.3344  2367.01   32.436 3.184265 6.668799 
1 1 1   -2    2    4 o  200.766   1.5007  403.001   6.0249 -3.052658 3.001427 
1 1 1   -2    2    5 o  206.237   1.5739  425.318   6.4913 -2.348663 3.147759 
1 1 1   -2    2    6 o  245.639   1.8202  603.124   8.9384 4.435333 3.640418 
1 1 1   -2    2    7 o  760.740   5.2079  5792.24   79.232 5.005066 10.41572 
1 1 1   -2    2    8 o  483.677   3.3518  2339.75   32.417 5.967072 6.703553 
1 1 1   -2    2    9 o  467.715   3.2570  2187.82   30.460 -6.613831 6.514087 
1 1 1   -2    2   10 f  300.355   2.2601  902.375   13.576 -1.318146 4.520122 
1 1 1   -2    2   11 o  201.508   1.9644  406.076   7.9159 -3.368912 3.928808 
1 1 1   -2    2   12 o   84.517   3.4349   71.503   5.8051 -2.260666 6.869845 
1 1 1   -2    2   13 o  281.847   2.2633  794.727   12.757 0.8927917 4.526545 
1 1 1   -2    2   14 o  320.408   2.4797  1026.40   15.883 8.221313 4.959301 
1 1 1   -2    2   15 o  132.721   2.9111  176.253   7.7246 -4.820648 5.822233 
1 1 1   -2    2   16 o  392.570   2.9255  1540.69   22.955 -8.966675 5.850992 
1 1 1   -2    2   17 o  108.471   3.9248  117.820   8.5069 -1.489540 7.849572 
1 1 1   -2    2   18 o  416.079   3.1380  1732.02   26.113 -3.268951 6.276017 
1 1 1   -2    2   19 o  406.178   3.1308  1650.53   25.433 -2.051392 6.261525 
1 1 1   -2    2   20 o  209.742   3.4541  444.161   13.665 -5.865250 6.908174 
1 1 1   -2    2   21 o  925.364   7.8377  8580.60  136.552 1.634033 15.67537 
1 1 1   -2    2   22 o   32.249   10.392 -12.4532   14.201 5.502325 20.78434 
1 1 1   -2    2   23 o  219.585   4.7674  482.504   20.937      ?      ? 
1 1 1   -2    2   24 o  225.718   4.7803  509.855   21.580      ?      ? 
1 1 1   -2    2   25 o  216.492   3.4477  469.183   14.927 -3.256226 6.895381 
1 1 1   -2    2   26 f  272.848   3.1002  744.861   16.913 4.701111 6.200417 
1 1 1   -2    2   27 o  116.832   5.5145  136.891   12.874 7.037865 11.02893 
1 1 1   -2    2   28 o  309.852   3.0571  960.962   18.942 5.102631 6.114152 
1 1 1   -2    2   29 o  181.636   3.6929  330.738   13.412 -5.401657 7.385709 
1 1 1   -2    2   30 o   75.348   7.7396   57.495   11.658 3.106590 15.47922 
1 1 1   -2    2   31 o   49.523   10.336   25.429   11.252 -12.58657 20.67262 
1 1 1   -2    2   32 f  117.393   5.9787  136.859   13.472 -7.520493 11.95750 
1 1 1   -2    2   33 o  313.108   3.0397  980.109   19.021 -15.15775 6.079419 
1 1 1   -2    2   34 o  118.617   4.7857  142.132   11.338 -4.656815 9.571484 
1 1 1   -2    2   35 o  139.579   5.9476  198.072   16.603      ?      ? 
1 1 1   -2    2   36 o   26.732   12.480 -14.4782   16.402      ?      ? 
1 1 1   -2    2   38 o   57.510   9.5970   36.098   12.061 -33.35807 19.19391 
1 1 1   -2    2   39 o   88.766   6.9609   81.168   12.249 15.61610 13.92173 
1 1 1   -2    2   40 o   54.322   10.818   32.892   12.312 6.289581 21.63675 
1 1 1   -2    2   41 o   65.708   9.0854   46.649   11.614 -16.93298 18.17090 
1 1 1   -2    2   42 f   72.648   7.2643   61.211   10.420 -8.837280 14.52863 
1 1 1   -2    3    1 o  298.930   4.1381  893.935   24.740      ?      ? 
1 1 1   -2    3    2 o  220.171   2.2185  482.099   9.7273 12.95366 4.436936 
1 1 1   -2    3    3 o  776.372   5.3126  6029.10   82.426 18.17639 10.62518 
1 1 1   -2    3    4 o  556.855   3.8177  3101.27   42.501 9.330261 7.635390 
1 1 1   -2    3    5 o  212.521   1.6270  451.513   6.9138 -4.957077 3.253901 
1 1 1   -2    3    6 o  384.557   2.6784  1479.22   20.600 -0.2624207 5.356833 
1 1 1   -2    3    7 o  509.434   3.5141  2594.89   35.789 -9.104950 7.028224 
1 1 1   -2    3    8 o  356.374   2.5354  1269.72   18.065 6.358368 5.070858 
1 1 1   -2    3    9 o  116.109   2.1448  134.563   4.9755 -6.144943 4.289640 
1 1 1   -2    3   10 o  124.202   2.2233  153.954   5.5156 -5.646545 4.446570 
1 1 1   -2    3   11 o  107.925   2.6063  116.726   5.6099 2.515755 5.212699 
1 1 1   -2    3   12 o  207.633   2.0397  431.372   8.4678 4.990784 4.079314 
1 1 1   -2    3   13 f  327.936   2.4888  1075.91   16.321 -2.542419 4.977550 
1 1 1   -2    3   14 o  427.494   3.0683  1829.03   26.234 0.5755310 6.136648 
1 1 1   -2    3   15 o  274.951   2.3615  756.248   12.982 -0.8745117 4.723021 
1 1 1   -2    3   16 o  183.901   3.6023  338.335   13.249      ?      ? 
1 1 1   -2    3   17 o  238.110   2.4805  566.951   11.809 3.065125 4.960942 
1 1 1   -2    3   18 o  453.708   3.3445  2059.66   30.349 -0.2362061 6.689095 
1 1 1   -2    3   19 o   76.166   6.8093   58.712   10.220 -15.02435 13.61861 
1 1 1   -2    3   20 o  228.245   2.8770  521.144   13.131 5.813217 5.754002 
1 1 1   -2    3   22 o  310.094   4.2934  962.020   26.627      ?      ? 
1 1 1   -2    3   23 o  390.914   3.2501  1529.05   25.404 1.513000 6.500144 
1 1 1   -2    3   24 o  209.609   5.0637  439.720   21.228      ?      ? 
1 1 1   -2    3   26 f  202.951   3.5418  412.335   14.372 1.578522 7.083611 
1 1 1   -2    3   27 o   77.356   8.5648   62.041   12.598 22.73903 17.12959 
1 1 1   -2    3   28 o  217.888   3.3415  475.680   14.549 -2.951843 6.683065 
1 1 1   -2    3   29 o  277.431   3.0378  770.931   16.853 6.929718 6.075606 
1 1 1   -2    3   30 o  224.144   3.1612  503.343   14.167 8.405655 6.322495 
1 1 1   -2    3   31 o  175.850   3.5773  310.326   12.571 9.689255 7.154537 
1 1 1   -2    3   32 o   49.658   10.949   25.717   12.042 4.137180 21.89831 
1 1 1   -2    3   34 o  143.543   4.1591  206.759   11.917 7.669052 8.318219 
1 1 1   -2    3   35 o   19.835   9.9089 -42.1273   16.323      ?      ? 
1 1 1   -2    3   37 o  117.392   5.1026  139.743   11.977 3.431320 10.20513 
1 1 1   -2    3   38 f  112.775   5.5295  130.223   12.395 16.08601 11.05902 
1 1 1   -2    3   39 o  117.103   5.3267  139.338   12.466 4.049553 10.65332 
1 1 1   -2    3   40 o   61.361   10.241   41.802   12.379 4.300499 20.48138 
1 1 1   -2    3   41 o   71.552   8.7260   55.630   11.822 -25.01030 17.45206 
1 1 1   -2    4    1 f  425.776   4.1356  1814.19   35.216 -1.125580 8.271111 
1 1 1   -2    4    2 o  249.739   2.4897  622.606   12.417 8.717697 4.979493 
1 1 1   -2    4    3 o  122.254   1.5210  152.465   3.5363 -8.383759 3.041953 
1 1 1   -2    4    4 o  356.708   2.4785  1271.96   17.673 6.561249 4.956936 
1 1 1   -2    4    5 o  557.577   3.8283  3109.66   42.681 -7.523315 7.656561 
1 1 1   -2    4    6 o  645.818   4.4286  4173.18   57.196 -5.046997 8.857106 
1 1 1   -2    4    7 o  466.328   3.2297  2175.39   30.122 1.208466 6.459432 
1 1 1   -2    4    8 o  309.311   2.2600  956.940   13.981 1.779327 4.519989 
1 1 1   -2    4    9 o  301.595   2.7516  893.704   15.284 -13.55286 5.503120 
1 1 1   -2    4   10 o  409.404   2.8962  1676.92   23.712 -3.374512 5.792352 
1 1 1   -2    4   11 o  102.579   2.7065  105.177   5.5419 -1.700165 5.413060 
1 1 1   -2    4   12 o  349.761   2.5828  1223.93   18.067 3.879547 5.165687 
1 1 1   -2    4   13 o  434.821   3.0964  1892.34   26.927 -0.9765015 6.192781 
1 1 1   -2    4   14 o  191.718   2.2521  367.600   8.6324 6.983902 4.504126 
1 1 1   -2    4   15 o  481.965   3.4268  2324.65   33.028 -3.260651 6.853699 
1 1 1   -2    4   16 o  319.859   2.6048  1023.32   16.662 5.082520 5.209565 
1 1 1   -2    4   17 o   97.230   4.5250   94.650   8.7977 -2.066444 9.049932 
1 1 1   -2    4   18 o  369.751   2.9345  1367.42   21.696 -3.735535 5.868996 
1 1 1   -2    4   19 o  371.608   2.9746  1381.39   22.106 -1.541687 5.949273 
1 1 1   -2    4   20 o  277.800   2.8208  771.726   15.669 -8.029266 5.641519 
1 1 1   -2    4   21 o  355.404   4.3220  1263.70   30.721      ?      ? 
1 1 1   -2    4   22 o  912.964   8.9640  8351.07  163.676      ?      ? 
1 1 1   -2    4   23 o  516.908   3.8425  2674.69   39.723 -0.6286011 7.684911 
1 1 1   -2    4   24 o  225.478   4.5922  508.763   20.709      ?      ? 
1 1 1   -2    4   25 o  277.022   3.0789  767.934   17.053 1.477051 6.157766 
1 1 1   -2    4   26 o  175.664   3.8984  308.797   13.683 3.338745 7.796744 
1 1 1   -2    4   27 o  249.704   3.1814  625.107   15.862 -15.74866 6.362823 
1 1 1   -2    4   28 o  277.876   3.0842  773.065   17.106 0.5922852 6.168333 
1 1 1   -2    4   29 o   29.238   9.3757 -10.3933   12.030 -4.130243 18.75138 
1 1 1   -2    4   30 o  113.620   5.2353  130.191   11.869 -5.415108 10.47063 
1 1 1   -2    4   31 f   92.738   6.1966   87.005   11.482 -0.8160629 12.39318 
1 1 1   -2    4   32 o   24.943   11.934 -21.8490   16.778      ?      ? 
1 1 1   -2    4   34 f  208.000   3.7129  432.413   14.986 -5.014908 7.425708 
1 1 1   -2    4   35 o   75.303   8.1574   59.827   11.818 -15.89671 16.31481 
1 1 1   -2    4   36 o   92.817   6.4412   88.357   11.896 11.74900 12.88236 
1 1 1   -2    4   37 o   93.015   6.4220   88.196   11.939 3.276459 12.84401 
1 1 1   -2    4   38 o   33.131   9.9735   0.2864   11.871 8.109755 19.94704 
1 1 1   -2    4   39 o  111.454   5.4807  126.692   12.183 -3.038330 10.96138 
1 1 1   -2    4   40 o  102.452   5.9929  107.652   12.239 9.039452 11.98587 
1 1 1   -2    4   41 o  111.316   5.3953  126.386   11.947 10.56435 10.79060 
1 1 1   -2    5    1 o  393.998   3.8385  1551.92   30.226 -8.765869 7.676994 
1 1 1   -2    5    2 o  655.479   6.3544  4303.02   83.296 5.741089 12.70887 
1 1 1   -2    5    3 o  406.777   3.4475  1646.47   26.237 6.124084 6.895096 
1 1 1   -2    5    4 o  471.954   3.2491  2228.25   30.668 -1.026733 6.498203 
1 1 1   -2    5    5 o  300.823   3.0380  905.089   18.278      ?      ? 
1 1 1   -2    5    6 o  376.688   2.6379  1419.20   19.873 -2.059418 5.275881 
1 1 1   -2    5    7 o   66.890   2.8890   45.046   3.8394 7.029919 5.777911 
1 1 1   -2    5    8 o  627.303   4.3134  3936.75   54.095 -10.24762 8.626843 
1 1 1   -2    5    9 o  236.951   1.9528  561.563   9.2498 -0.4308777 3.905556 
1 1 1   -2    5   10 o  326.310   2.3964  1065.29   15.639 1.656647 4.792865 
1 1 1   -2    5   11 o  126.785   2.3694  159.684   5.9784 -8.688095 4.738711 
1 1 1   -2    5   12 f  248.203   2.1401  616.206   10.616 -1.045898 4.280196 
1 1 1   -2    5   13 o  279.824   2.2758  783.449   12.735 2.426147 4.551524 
1 1 1   -2    5   14 o  329.784   2.5332  1088.01   16.705 -2.037964 5.066350 
1 1 1   -2    5   15 o  197.969   2.3898  392.146   9.4561 1.153625 4.779502 
1 1 1   -2    5   16 f  283.857   2.4996  806.059   14.190 1.226624 4.999262 
1 1 1   -2    5   17 o  158.765   3.0620  252.411   9.7141 5.651749 6.124010 
1 1 1   -2    5   18 o  132.525   3.8555  175.743   10.219 1.369461 7.711093 
1 1 1   -2    5   19 o  423.071   3.2084  1790.75   27.147 -0.1103516 6.416713 
1 1 1   -2    5   20 o  748.313   5.2115  5604.21   77.964 13.27161 10.42298 
1 1 1   -2    5   21 o  555.206   5.6949  3085.07   63.237      ?      ? 
1 1 1   -2    5   23 o  187.576   5.2961  352.181   19.868      ?      ? 
1 1 1   -2    5   25 o  265.825   3.1385  707.315   16.680 -8.945435 6.276937 
1 1 1   -2    5   26 o  295.431   3.0877  873.742   18.241 -0.7016907 6.175372 
1 1 1   -2    5   27 o  201.009   3.5483  404.834   14.239 -1.417099 7.096526 
1 1 1   -2    5   28 o   83.894   7.6692   72.381   12.609 -11.57674 15.33835 
1 1 1   -2    5   29 o  195.486   3.4498  384.122   13.443 -8.829697 6.899600 
1 1 1   -2    5   30 o   49.248   10.559   25.175   11.488 -8.296265 21.11807 
1 1 1   -2    5   31 o  188.551   3.3704  355.304   12.660 7.845764 6.740779 
1 1 1   -2    5   32 o  109.435   7.8676  121.064   17.220      ?      ? 
1 1 1   -2    5   34 o   42.889   10.519   17.704   11.049 -1.923141 21.03854 
1 1 1   -2    5   35 o   43.668   9.2459   7.9777   13.326 38.06868 18.49185 
1 1 1   -2    5   36 o   62.178   9.3008   42.105   11.428 -18.25496 18.60156 
1 1 1   -2    5   37 f   84.188   10.153   72.468   17.095      ?      ? 
1 1 1   -2    5   38 o   82.627   7.1824   70.248   11.857 2.479607 14.36472 
1 1 1   -2    5   39 o  148.673   4.2324  223.753   12.565 -4.530518 8.464893 
1 1 1   -2    5   40 o   85.595   6.9216   75.452   11.845 -2.594246 13.84328 
1 1 1   -2    5   41 o  119.179   4.9835  144.155   11.851 5.287239 9.967063 
1 1 1   -2    6    1 o  667.917   6.4915  4466.79   86.696 8.802734 12.98300 
1 1 1   -2    6    2 o  339.372   3.3357  1152.15   22.640 1.548218 6.671480 
1 1 1   -2    6    3 o  204.585   1.9185  414.723   7.2885 5.042053 3.837005 
1 1 1   -2    6    4 o  470.386   3.9669  2219.81   35.310 -4.039154 7.933876 
1 1 1   -2    6    5 o  585.326   4.0201  3425.02   47.029 12.98889 8.040169 
1 1 1   -2    6    6 o  640.186   4.3939  4101.40   56.258 -1.382568 8.787873 
1 1 1   -2    6    7 o  167.591   2.3988  280.905   8.0402      ?      ? 
1 1 1   -2    6    8 o  152.294   1.8101  231.874   5.5061 -1.296219 3.620212 
1 1 1   -2    6    9 o  197.804   1.8548  389.917   7.3140 -8.625015 3.709581 
1 1 1   -2    6   10 o  283.862   2.1860  806.136   12.409 4.842773 4.371972 
1 1 1   -2    6   11 o  362.370   2.6334  1313.83   19.084 3.986969 5.266780 
1 1 1   -2    6   12 o  680.864   4.6971  4645.19   63.961 1.684998 9.394175 
1 1 1   -2    6   13 o  202.874   2.1904  410.827   8.8648 -6.022308 4.380748 
1 1 1   -2    6   14 o  363.075   2.7132  1318.55   19.695 -4.029236 5.426481 
1 1 1   -2    6   15 o  121.741   4.4481  148.302   10.830      ?      ? 
1 1 1   -2    6   16 f  434.862   3.1797  1892.09   27.655 0.6902771 6.359426 
1 1 1   -2    6   17 o  518.930   3.7025  2694.53   38.426 4.524963 7.405100 
1 1 1   -2    6   18 o  419.803   3.1734  1762.97   26.641 -2.276428 6.346869 
1 1 1   -2    6   19 o  433.339   3.2584  1878.80   28.239 1.888550 6.516751 
1 1 1   -2    6   20 o  211.263   3.0791  446.379   13.005 -2.268387 6.158217 
1 1 1   -2    6   21 o  204.281   4.9223  417.566   20.110      ?      ? 
1 1 1   -2    6   22 o  544.547   3.9941  2967.78   43.498 2.713135 7.988275 
1 1 1   -2    6   23 o  244.477   3.1877  597.380   15.564 -18.52148 6.375482 
1 1 1   -2    6   24 o  245.874   3.2173  605.104   15.815 -1.188889 6.434530 
1 1 1   -2    6   25 o  208.037   3.4873  433.094   14.504 3.024445 6.974657 
1 1 1   -2    6   26 o  124.968   7.5220  156.676   18.800      ?      ? 
1 1 1   -2    6   27 o  109.006   5.9516  119.142   12.964 4.513672 11.90313 
1 1 1   -2    6   28 f  162.192   4.0759  264.351   13.181 -4.657944 8.151772 
1 1 1   -2    6   29 o  119.247   5.0885  143.057   12.115 -2.469193 10.17696 
1 1 1   -2    6   30 o  223.231   3.0903  499.547   13.791 -0.4388885 6.180674 
1 1 1   -2    6   31 o  147.427   4.0246  218.551   11.848 -2.175095 8.049215 
1 1 1   -2    6   32 f   23.448   11.369 -28.0384   16.680      ?      ? 
1 1 1   -2    6   33 o  185.392   3.5237  344.528   13.010 8.512054 7.047386 
1 1 1   -2    6   34 o   40.542   10.585   13.191   11.503 8.883492 21.17007 
1 1 1   -2    6   36 o  217.329   3.7694  476.893   16.016 2.083908 7.538709 
1 1 1   -2    6   37 o  114.883   6.9128  133.225   15.883      ?      ? 
1 1 1   -2    6   38 o  108.053   5.6232  120.465   11.914 -10.03914 11.24643 
1 1 1   -2    6   39 o   43.061   10.842   17.975   11.888 -4.628635 21.68371 
1 1 1   -2    6   40 o   78.324   7.5931   63.294   11.864 7.471161 15.18622 
1 1 1   -2    6   41 o   78.002   7.7213   64.622   11.367 -23.75240 15.44268 
1 1 1   -2    7    1 o  414.885   4.0543  1721.18   33.625 -7.922272 8.108549 
1 1 1   -2    7    2 o  697.165   6.7715  4867.93   94.416 1.495239 13.54294 
1 1 1   -2    7    3 o  224.941   2.3731  503.589   10.635 11.94203 4.746120 
1 1 1   -2    7    4 o  472.500   3.9914  2235.08   35.583 -0.8713684 7.982875 
1 1 1   -2    7    5 o  498.690   3.4410  2487.89   34.318 -3.761932 6.882076 
1 1 1   -2    7    6 o  431.517   2.9995  1862.76   25.885 2.800201 5.998945 
1 1 1   -2    7    7 o  846.362   5.8021  7172.58   98.156 -17.33051 11.60417 
1 1 1   -2    7    8 o  188.918   1.7791  357.045   6.7207 2.122696 3.558142 
1 1 1   -2    7    9 o  186.967   1.8587  350.016   6.9429 5.695007 3.717310 
1 1 1   -2    7   10 o  249.895   2.0424  624.717   10.201 0.7420349E-01 4.084702 
1 1 1   -2    7   11 o  291.847   2.2536  852.199   13.153 1.395905 4.507292 
1 1 1   -2    7   12 o  120.939   2.6592  146.893   6.4028 5.813614 5.318324 
1 1 1   -2    7   13 o  135.746   2.6213  185.347   7.0691 7.607834 5.242530 
1 1 1   -2    7   14 o  396.329   2.9114  1571.14   23.073 7.512848 5.822860 
1 1 1   -2    7   15 o  298.328   2.4911  889.567   14.857 10.14890 4.982178 
1 1 1   -2    7   16 o  336.754   2.6887  1134.25   18.107 5.680420 5.377343 
1 1 1   -2    7   17 o  127.031   3.6963  161.457   9.3729 -0.1829147 7.392669 
1 1 1   -2    7   18 o  179.864   3.1277  323.172   11.242 -9.583389 6.255437 
1 1 1   -2    7   19 o  226.886   2.8627  515.131   12.982 10.00829 5.725451 
1 1 1   -2    7   20 f  704.304   6.9748  4966.38   98.248      ?      ? 
1 1 1   -2    7   22 o  387.209   3.2189  1499.33   24.918 9.249176 6.437722 
1 1 1   -2    7   23 o  256.451   3.1434  657.781   16.115 3.846039 6.286701 
1 1 1   -2    7   24 o  142.032   4.6551  204.370   13.074 -18.66714 9.310199 
1 1 1   -2    7   25 o  115.221   5.5760  132.885   12.834 4.981300 11.15203 
1 1 1   -2    7   26 o  218.061   3.3441  475.280   14.565 7.219421 6.688203 
1 1 1   -2    7   27 o  216.051   4.7072  467.428   20.340      ?      ? 
1 1 1   -2    7   28 f  163.331   3.9770  267.791   12.974 -2.398422 7.953982 
1 1 1   -2    7   29 o   84.373   6.9241   72.360   11.606 -7.202179 13.84830 
1 1 1   -2    7   30 f  138.212   4.2548  192.258   11.739 -3.921600 8.509687 
1 1 1   -2    7   31 o   82.976   6.8110   70.408   11.206 -10.69028 13.62202 
1 1 1   -2    7   33 o   95.896   5.9199   93.231   11.347 1.297890 11.83984 
1 1 1   -2    7   34 o   49.331   10.851   25.747   11.918 7.419647 21.70267 
1 1 1   -2    7   36 o   64.197   10.566   45.337   13.141 -1.221157 21.13142 
1 1 1   -2    7   37 o   45.577   10.669   19.928   11.627 13.18156 21.33847 
1 1 1   -2    7   38 o   81.515   7.4011   67.676   11.853 21.54073 14.80223 
1 1 1   -2    7   39 o   68.979   9.0648   51.241   11.975 4.451530 18.12964 
1 1 1   -2    7   40 o   38.779   10.646   11.412   11.745 3.155926 21.29146 
1 1 1   -2    7   41 o   29.981   9.3694  -4.3230   11.270 -4.470873 18.73887 
1 1 1   -2    8    1 o  267.901   2.6869  717.412   14.387 4.664429 5.373803 
1 1 1   -2    8    2 o  482.939   4.7115  2333.99   45.503 -4.534515 9.423064 
1 1 1   -2    8    3 o  314.509   3.1351  988.179   19.697 8.647644 6.270167 
1 1 1   -2    8    4 f  283.531   2.5086  795.899   13.241 7.818054 5.017125 
1 1 1   -2    8    5 o  433.073   3.6709  1886.52   30.221 -7.329254 7.341848 
1 1 1   -2    8    6 f  628.926   5.3164  3932.28   62.361 -12.88055 10.63287 
1 1 1   -2    8    7 o  603.764   4.1560  3649.73   50.180 -4.848877 8.311914 
1 1 1   -2    8    8 o  337.007   2.4284  1136.25   16.367 2.710388 4.856761 
1 1 1   -2    8    9 o  218.803   1.8981  478.920   8.3002 0.2291412 3.796125 
1 1 1   -2    8   10 o  374.833   2.6939  1405.90   20.193 -0.8604126 5.387706 
1 1 1   -2    8   11 o  228.654   2.0491  522.507   9.3564 -3.883194 4.098198 
1 1 1   -2    8   12 o  498.252   3.4950  2484.83   34.824 -3.141022 6.989940 
1 1 1   -2    8   13 o  488.000   3.4468  2383.51   33.641 0.8247070 6.893610 
1 1 1   -2    8   14 o  351.345   2.6882  1233.90   18.875 -7.392212 5.376432 
1 1 1   -2    8   15 o  171.420   2.6185  293.840   8.9695 -1.581329 5.236924 
1 1 1   -2    8   16 o  213.374   2.5679  455.335   10.957 -2.470551 5.135890 
1 1 1   -2    8   17 o  466.059   3.4144  2172.14   31.812 -7.416229 6.828706 
1 1 1   -2    8   18 o  326.825   2.8115  1068.48   18.377 4.410004 5.623071 
1 1 1   -2    8   19 o  578.068   4.1145  3344.39   47.569 1.419983 8.229056 
1 1 1   -2    8   20 o  343.508   4.3119  1180.54   29.623      ?      ? 
1 1 1   -2    8   22 o  147.125   6.3158  216.748   18.584      ?      ? 
1 1 1   -2    8   23 o   72.363   9.1976   53.944   12.795 24.49897 18.39530 
1 1 1   -2    8   24 o  177.028   3.8578  313.398   13.650 6.879089 7.715540 
1 1 1   -2    8   25 o  136.533   4.7468  186.626   12.936 2.611603 9.493534 
1 1 1   -2    8   26 f  460.908   3.5303  2126.40   32.526 7.824615 7.060603 
1 1 1   -2    8   27 o  178.248   3.7821  318.731   13.458 -3.779251 7.564128 
1 1 1   -2    8   28 o  445.066   3.4361  1985.22   30.582 3.038300 6.872207 
1 1 1   -2    8   29 o  240.671   3.0026  580.484   14.444 -0.9544067 6.005129 
1 1 1   -2    8   30 o  155.603   3.7951  242.788   11.801 8.351196 7.590139 
1 1 1   -2    8   31 o   24.256   8.1880 -20.7202   11.170 2.292358 16.37609 
1 1 1   -2    8   33 o   99.302   5.6178   99.810   11.154 0.9682312 11.23555 
1 1 1   -2    8   34 o  177.612   3.7090  318.940   13.151 5.411362 7.418027 
1 1 1   -2    8   35 o   33.843   14.739  -1.8216   18.681      ?      ? 
1 1 1   -2    8   36 o   31.896   9.7577  -0.4865   11.448 -1.088161 19.51541 
1 1 1   -2    8   37 o  119.792   5.6862  145.670   13.278 -2.820473 11.37235 
1 1 1   -2    8   38 o  160.577   3.9301  259.806   12.608 7.832077 7.860144 
1 1 1   -2    8   39 o   53.509   10.626   31.864   11.823 1.468643 21.25141 
1 1 1   -2    8   40 o   55.456   10.444   33.942   11.899 -8.822765 20.88718 
1 1 1   -2    8   41 o  113.795   6.9226  138.555   15.387 -22.00784 13.84528 
1 1 1   -2    9    1 o  487.870   6.7638  2382.96   65.997      ?      ? 
1 1 1   -2    9    2 o  373.313   3.6761  1394.46   27.444 -3.545868 7.352102 
1 1 1   -2    9    3 o  259.346   2.6611  672.654   13.798 2.990143 5.322180 
1 1 1   -2    9    4 f  274.840   3.9858  755.760   21.909      ?      ? 
1 1 1   -2    9    5 o  460.016   3.9056  2115.97   33.829 1.473267 7.811206 
1 1 1   -2    9    6 o  170.103   3.3407  289.482   11.365      ?      ? 
1 1 1   -2    9    7 o  479.603   3.3287  2302.34   31.929 -1.663239 6.657455 
1 1 1   -2    9    8 o  256.761   1.9997  659.466   10.267 -0.6954956 3.999430 
1 1 1   -2    9    9 o  383.988   2.7375  1474.11   21.006 -8.305878 5.474978 
1 1 1   -2    9   10 o  166.311   2.0207  277.279   6.7053 6.583725 4.041457 
1 1 1   -2    9   11 o  228.465   2.0708  521.878   9.4512 -2.392273 4.141577 
1 1 1   -2    9   12 o  275.986   2.2597  762.010   12.471 5.178253 4.519373 
1 1 1   -2    9   13 o  255.640   2.2616  653.822   11.558 1.245453 4.523186 
1 1 1   -2    9   14 o  460.386   3.3035  2118.43   30.392 -11.89175 6.607096 
1 1 1   -2    9   15 o  763.046   5.2725  5830.67   80.462 2.998413 10.54503 
1 1 1   -2    9   16 o  208.099   2.6391  433.108   10.982 -1.910187 5.278290 
1 1 1   -2    9   18 o  420.689   3.1800  1770.55   26.752 -1.747040 6.360075 
1 1 1   -2    9   19 o  370.738   4.2961  1375.09   31.855      ?      ? 
1 1 1   -2    9   20 f   90.937   9.6125   82.883   17.483      ?      ? 
1 1 1   -2    9   21 o  356.631   3.0932  1272.31   22.059 4.720184 6.186409 
1 1 1   -2    9   22 o  253.128   4.3561  641.121   22.053      ?      ? 
1 1 1   -2    9   23 o  309.817   3.0137  960.387   18.670 2.970367 6.027334 
1 1 1   -2    9   24 o  418.464   3.3189  1752.95   27.776 0.9008789E-01 6.637706 
1 1 1   -2    9   25 o  292.405   2.9975  855.863   17.527 0.5740356 5.995043 
1 1 1   -2    9   26 o  348.261   3.1093  1212.82   21.640 10.50909 6.218576 
1 1 1   -2    9   27 o   59.657   10.178   37.880   12.018 -5.441658 20.35674 
1 1 1   -2    9   28 o  174.236   3.5578  304.300   12.386 0.1832123 7.115624 
1 1 1   -2    9   29 o   30.425   9.4244  -3.3671   11.005 -1.363426 18.84875 
1 1 1   -2    9   30 o   40.815   10.399   14.636   10.872 0.2959251 20.79828 
1 1 1   -2    9   32 o   25.103   8.3819 -19.7283   11.243 6.857389 16.76372 
1 1 1   -2    9   33 o  106.251   5.2653  114.218   11.180 -0.3100739 10.53066 
1 1 1   -2    9   35 o   41.456   10.081   13.285   11.906 -21.79633 20.16133 
1 1 1   -2    9   36 o  102.303   5.6979  105.977   11.643 6.322250 11.39587 
1 1 1   -2    9   37 o   70.900   9.4208   51.919   12.903 -23.85440 18.84164 
1 1 1   -2    9   38 o   88.143   6.7051   79.903   11.784 -1.640060 13.41013 
1 1 1   -2    9   39 o   86.800   6.9273   77.202   11.973 11.32116 13.85453 
1 1 1   -2    9   40 o   93.601   6.4095   89.391   11.942 12.27243 12.81897 
1 1 1   -2   10    1 o  516.818   4.3891  2675.13   42.721 -0.4702759 8.778217 
1 1 1   -2   10    2 f  254.784   2.6194  649.116   13.340 4.025055 5.238739 
1 1 1   -2   10    3 o  389.721   3.8426  1519.88   29.939 6.284546 7.685167 
1 1 1   -2   10    4 o  211.613   3.3765  448.010   14.290      ?      ? 
1 1 1   -2   10    5 o   75.686   5.1337   57.349   7.7710      ?      ? 
1 1 1   -2   10    6 o  171.937   2.0672  301.326   6.7573 -11.07071 4.134467 
1 1 1   -2   10    7 o  249.837   1.9462  623.380   9.7135 -8.128494 3.892431 
1 1 1   -2   10    8 o   57.232   4.1000   32.760   4.6856 -4.532978 8.200006 
1 1 1   -2   10    9 o  155.464   1.9891  241.645   6.1734 -1.363937 3.978142 
1 1 1   -2   10   10 o   98.014   2.9488   96.581   5.7492 5.529587 5.897599 
1 1 1   -2   10   11 o  278.947   2.2555  777.843   12.573 -4.918701 4.510928 
1 1 1   -2   10   12 o  625.735   6.1469  3920.28   76.926      ?      ? 
1 1 1   -2   10   13 o  485.650   3.4385  2359.89   33.394 -3.363068 6.876962 
1 1 1   -2   10   14 o  202.641   2.4325  411.023   9.8502 3.812653 4.864918 
1 1 1   -2   10   15 o  289.385   3.6250  837.698   20.981      ?      ? 
1 1 1   -2   10   16 o  660.281   4.6081  4362.64   60.839 -7.831055 9.216233 
1 1 1   -2   10   17 o  385.704   3.0133  1488.18   23.243 5.398438 6.026583 
1 1 1   -2   10   18 f   51.448   9.8655   27.159   10.528 -10.82947 19.73095 
1 1 1   -2   10   19 o  250.429   4.2075  627.431   21.074      ?      ? 
1 1 1   -2   10   20 o  448.611   3.4444  2012.44   30.892 10.07822 6.888785 
1 1 1   -2   10   21 o  308.046   3.0049  948.762   18.506 9.042389 6.009850 
1 1 1   -2   10   22 o   94.654   9.3494   89.873   17.699      ?      ? 
1 1 1   -2   10   23 o  117.162   5.2302  137.225   12.239 7.320198 10.46045 
1 1 1   -2   10   24 o  172.119   3.7648  296.084   12.946 9.247849 7.529522 
1 1 1   -2   10   25 o  270.331   3.0419  731.739   16.443 -2.896820 6.083825 
1 1 1   -2   10   26 o  181.749   5.3517  330.946   19.453      ?      ? 
1 1 1   -2   10   27 o  138.972   4.3386  193.548   12.045 4.471085 8.677239 
1 1 1   -2   10   28 o  145.033   3.9879  210.835   11.557 3.395126 7.975738 
1 1 1   -2   10   29 o   46.388   9.8750   21.538   10.814 -19.48153 19.74993 
1 1 1   -2   10   30 o   59.614   9.3853   38.118   10.924 -7.954437 18.77055 
1 1 1   -2   10   32 o   23.910   8.0417 -18.5504   10.590 2.127357 16.08344 
1 1 1   -2   10   33 o   25.140   8.3956 -17.0042   11.089 -1.543266 16.79124 
1 1 1   -2   10   34 o  258.315   4.5083  668.530   23.291      ?      ? 
1 1 1   -2   10   35 o   24.137   8.1856 -20.8803   11.257 0.4979935 16.37129 
1 1 1   -2   10   36 o  279.391   2.9659  781.665   16.546 9.640503 5.931831 
1 1 1   -2   10   37 o   50.442   11.201   24.750   12.900 -19.15886 22.40166 
1 1 1   -2   10   38 o   30.301   9.5387  -4.9374   11.623 4.471649 19.07737 
1 1 1   -2   10   39 f  124.075   4.8857  155.751   12.079 4.208847 9.771312 
1 1 1   -2   10   40 f  159.948   3.7951  257.648   12.128 1.805695 7.590128 
1 1 1   -2   11    1 o  591.185   5.0541  3464.18   55.363 16.62756 10.10827 
1 1 1   -2   11    2 o  500.219   4.9068  2505.04   49.053 -11.84238 9.813550 
1 1 1   -2   11    3 o  433.835   4.2685  1885.14   37.036 -1.171143 8.537006 
1 1 1   -2   11    4 o  399.739   3.4141  1608.27   25.923 -7.154999 6.828155 
1 1 1   -2   11    5 o  509.291   4.3159  2599.30   41.471 -0.9375000 8.631831 
1 1 1   -2   11    6 o  228.231   2.2608  523.625   9.7584 -3.411835 4.521568 
1 1 1   -2   11    7 o  203.116   2.2366  415.745   8.5316 -4.376236 4.473131 
1 1 1   -2   11    8 o   73.688   3.2895   54.294   4.8454 -2.708458 6.579051 
1 1 1   -2   11    9 o  267.769   2.1393  717.281   11.457 0.6645203 4.278667 
1 1 1   -2   11   10 o  142.576   2.2862  203.651   6.5088 8.151077 4.572413 
1 1 1   -2   11   12 o  443.780   3.1774  1970.46   28.201 2.619202 6.354761 
1 1 1   -2   11   13 f  227.971   2.3175  519.889   10.566 1.977371 4.635003 
1 1 1   -2   11   14 o  353.434   2.7409  1249.59   19.374 4.452911 5.481788 
1 1 1   -2   11   15 o  303.563   2.6231  921.570   15.919 -2.304535 5.246235 
1 1 1   -2   11   16 f  677.951   4.7230  4599.44   64.023 10.25867 9.446059 
1 1 1   -2   11   17 o  455.387   3.3616  2074.18   30.603 -5.263763 6.723158 
1 1 1   -2   11   19 o  690.973   6.8432  4779.77   94.569      ?      ? 
1 1 1   -2   11   20 o  132.299   6.6315  175.292   17.547      ?      ? 
1 1 1   -2   11   22 o   87.942   6.8360   77.361   11.998 4.616692 13.67210 
1 1 1   -2   11   23 o  163.631   3.8879  268.920   12.682 -7.711884 7.775789 
1 1 1   -2   11   24 o  265.123   3.0580  702.683   16.195 7.053741 6.115905 
1 1 1   -2   11   25 o  227.425   3.2363  517.568   14.697 2.377213 6.472538 
1 1 1   -2   11   26 o  115.363   5.2701  132.939   12.124 9.453270 10.54011 
1 1 1   -2   11   27 o  100.664   5.6721  102.579   11.339 -6.893684 11.34417 
1 1 1   -2   11   28 o  232.621   2.9566  541.687   13.742 4.943268 5.913260 
1 1 1   -2   11   29 o   90.267   6.0031   81.946   10.804 9.785179 12.00615 
1 1 1   -2   11   30 o  100.154   5.6610  101.548   11.332 4.064491 11.32191 
1 1 1   -2   11   31 o   87.130   9.5220   76.543   16.593      ?      ? 
1 1 1   -2   11   32 o  137.061   4.0787  188.785   11.155 3.294907 8.157492 
1 1 1   -2   11   33 o  106.585   5.4191  116.883   11.529 -3.060059 10.83829 
1 1 1   -2   11   35 o   76.472   7.5011   61.423   11.268 -10.22824 15.00225 
1 1 1   -2   11   36 o  143.296   4.2876  207.599   12.260 -0.3725128 8.575269 
1 1 1   -2   11   37 o   90.861   7.3998   86.133   13.164 5.144226 14.79956 
1 1 1   -2   11   38 f   78.697   8.2016   68.901   11.868 -25.46044 16.40328 
1 1 1   -2   11   39 o   98.947   5.9557  100.049   11.728 0.5713120 11.91140 
1 1 1   -2   11   40 o   42.383   10.285   17.868   10.807 -8.693138 20.56911 
1 1 1   -2   12    1 o  297.984   2.5996  895.065   14.746 -7.376373 5.199203 
1 1 1   -2   12    2 o  431.118   3.6768  1866.24   29.980 -3.971405 7.353504 
1 1 1   -2   12    3 o  253.093   2.6740  640.700   13.527 2.955490 5.348017 
1 1 1   -2   12    4 o  249.943   2.3362  621.495   10.891 3.844971 4.672414 
1 1 1   -2   12    5 o  243.171   2.6717  590.849   12.984 -10.37355 5.343339 
1 1 1   -2   12    6 o  168.528   2.2140  292.169   6.9862 -14.45288 4.427992 
1 1 1   -2   12    7 o  321.110   2.8824  1031.38   17.423 0.3459778 5.764706 
1 1 1   -2   12    8 o  207.936   2.3981  431.833   9.3011 0.9432678 4.796177 
1 1 1   -2   12    9 o  143.067   2.2411  204.007   6.4009 -9.639221 4.482250 
1 1 1   -2   12   10 o  244.055   2.1433  595.669   10.460 4.954865 4.286524 
1 1 1   -2   12   12 o  270.210   2.3384  730.492   12.635 3.624084 4.676846 
1 1 1   -2   12   13 o  275.113   2.4172  757.168   13.298 6.112152 4.834401 
1 1 1   -2   12   14 o  368.987   2.8494  1362.04   21.025 0.6571350 5.698768 
1 1 1   -2   12   15 o  580.975   4.0883  3377.84   47.502 3.353638 8.176541 
1 1 1   -2   12   16 o  300.944   2.6430  905.348   15.890 -4.246124 5.286017 
1 1 1   -2   12   18 o  226.374   2.9526  512.962   13.341 18.41681 5.905250 
1 1 1   -2   12   19 o  398.595   3.1625  1588.69   25.196 -7.022949 6.324995 
1 1 1   -2   12   20 o  202.796   4.5767  411.534   18.563      ?      ? 
1 1 1   -2   12   21 o   44.169   10.833   17.295   11.793 7.135376 21.66555 
1 1 1   -2   12   22 o  160.696   3.8509  259.037   12.348 -5.230270 7.701740 
1 1 1   -2   12   23 f   86.222   6.8320   75.045   11.728 -6.083450 13.66408 
1 1 1   -2   12   24 o  255.723   3.0183  654.740   15.433 -1.261887 6.036583 
1 1 1   -2   12   25 o  211.877   4.7441  449.588   20.103      ?      ? 
1 1 1   -2   12   26 o  249.227   2.9488  622.428   14.688 -2.305359 5.897512 
1 1 1   -2   12   27 o  128.218   4.4191  165.989   11.269 -11.19722 8.838244 
1 1 1   -2   12   28 o  123.794   4.4653  154.388   11.033 -5.592354 8.930554 
1 1 1   -2   12   29 o  140.024   3.9728  197.560   11.094 -8.872925 7.945599 
1 1 1   -2   12   30 o   35.287   14.612   3.5349   16.840      ?      ? 
1 1 1   -2   12   31 o   33.470   9.8756   3.5386   11.048 -1.387047 19.75118 
1 1 1   -2   12   32 o  190.598   3.2704  364.978   12.446 -1.019272 6.540831 
1 1 1   -2   12   33 o  168.881   5.0967  285.992   17.215      ?      ? 
1 1 1   -2   12   34 o  167.348   3.6527  281.659   12.166 2.774567 7.305451 
1 1 1   -2   12   35 o  114.155   5.0003  130.469   11.356 15.31036 10.00052 
1 1 1   -2   12   36 o   23.391   8.0075 -24.9577   11.404 3.202980 16.01496 
1 1 1   -2   12   37 o   71.186   9.5000   54.445   12.968 -6.489510 19.00008 
1 1 1   -2   12   38 o   80.511   7.3826   67.027   11.764 0.5238800 14.76521 
1 1 1   -2   12   39 o  111.856   5.2669  125.387   11.711 14.17508 10.53371 
1 1 1   -2   12   40 o   49.435   9.0616   46.969   12.283 -36.78222 18.12320 
1 1 1   -2   13    1 o  358.435   3.0960  1293.24   21.072 -6.743103 6.192023 
1 1 1   -2   13    2 o  497.108   4.2244  2483.98   39.781 -5.881439 8.448739 
1 1 1   -2   13    3 o  298.358   3.0546  890.449   18.222 -6.369263 6.109104 
1 1 1   -2   13    4 o  231.894   2.2413  539.883   9.7891 -2.495865 4.482602 
1 1 1   -2   13    5 o  280.151   2.9542  785.105   16.549 -6.526520 5.908426 
1 1 1   -2   13    6 o  284.170   2.6354  812.493   14.159 -5.000458 5.270764 
1 1 1   -2   13    7 o  538.103   4.5715  2908.84   46.595 -5.500366 9.143068 
1 1 1   -2   13    8 o  593.625   5.0246  3551.99   56.774 -12.75159 10.04918 
1 1 1   -2   13    9 o  245.666   2.1189  602.706   10.398 -7.394806 4.237835 
1 1 1   -2   13   10 o  466.634   3.3009  2176.71   30.782 -10.45020 6.601767 
1 1 1   -2   13   11 o  197.190   2.2365  387.820   8.8025 -8.493546 4.473094 
1 1 1   -2   13   12 o  510.258   3.6047  2601.73   36.746 -13.67545 7.209481 
1 1 1   -2   13   13 o  528.238   3.7384  2790.88   39.480 -7.805176 7.476712 
1 1 1   -2   13   14 o  376.550   2.8755  1418.31   21.650 -1.635254 5.751032 
1 1 1   -2   13   15 o  554.310   3.9183  3073.97   43.430 8.045837 7.836691 
1 1 1   -2   13   16 o  365.389   2.9163  1330.41   21.254 -18.73178 5.832656 
1 1 1   -2   13   17 o  232.318   2.8635  539.793   13.291 -1.309448 5.726968 
1 1 1   -2   13   18 o  396.009   4.4563  1569.07   35.294      ?      ? 
1 1 1   -2   13   19 o  207.898   3.1294  432.485   13.008 -0.2071838 6.258793 
1 1 1   -2   13   20 o  390.524   3.1578  1526.15   24.664 -0.4743652 6.315556 
1 1 1   -2   13   21 o  200.764   3.2021  403.412   12.857 1.955460 6.404184 
1 1 1   -2   13   22 o  204.405   3.1589  417.842   12.904 11.62535 6.317896 
1 1 1   -2   13   23 o  245.053   2.9860  600.495   14.627 8.841644 5.972036 
1 1 1   -2   13   24 o  249.815   4.2876  624.778   21.422      ?      ? 
1 1 1   -2   13   25 o  101.897   5.6951  104.229   11.591 3.523415 11.39029 
1 1 1   -2   13   26 o  216.892   3.0350  471.367   13.161 -6.406265 6.070045 
1 1 1   -2   13   27 o  118.824   4.6214  142.044   10.967 -2.535011 9.242824 
1 1 1   -2   13   28 o   60.605   8.8164   39.176   10.490 -19.32967 17.63272 
1 1 1   -2   13   29 o   27.643   8.8794  -9.2893   10.898 -4.045200 17.75884 
1 1 1   -2   13   30 o  172.202   5.3143  297.181   18.303      ?      ? 
1 1 1   -2   13   31 o  184.275   3.2862  340.942   12.089 0.4567871 6.572481 
1 1 1   -2   13   32 o   95.733   6.1831   96.397   11.531 -23.77374 12.36627 
1 1 1   -2   13   33 o  105.927   6.0235  112.631   12.721 9.221985 12.04709 
1 1 1   -2   13   34 o   25.301   8.4615 -16.6250   11.103 3.633217 16.92309 
1 1 1   -2   13   35 o  114.947   5.0747  135.055   11.494 -9.024017 10.14940 
1 1 1   -2   13   36 o   97.290   6.0232   98.418   11.476 -13.19522 12.04642 
1 1 1   -2   13   37 o   29.450   9.5283 -11.0087   12.703 -4.667107 19.05655 
1 1 1   -2   13   38 o   88.173   6.6142   79.538   11.547 2.549042 13.22840 
1 1 1   -2   13   39 o  102.881   5.5241  107.926   11.282 -3.173889 11.04821 
1 1 1   -2   14    1 o  426.103   3.6705  1821.50   29.526 -2.974609 7.340907 
1 1 1   -2   14    2 o  331.014   2.9025  1091.56   17.972 4.038788 5.804997 
1 1 1   -2   14    3 o  429.145   3.6624  1860.22   30.038 -13.69324 7.324742 
1 1 1   -2   14    4 o  184.777   3.5793  341.582   13.227      ?      ? 
1 1 1   -2   14    5 o  391.674   3.9268  1526.86   30.639 -24.34366 7.853535 
1 1 1   -2   14    6 o  848.513   7.1397  7261.95  115.195 -15.91473 14.27947 
1 1 1   -2   14    7 o  416.873   3.6391  1735.03   28.452 2.742615 7.278220 
1 1 1   -2   14    8 o  337.650   3.0688  1150.17   19.711 -9.361359 6.137606 
1 1 1   -2   14    9 o  146.342   3.0001  212.608   8.1472 2.977921 6.000153 
1 1 1   -2   14   10 o  356.884   2.6598  1272.47   18.965 -9.508453 5.319590 
1 1 1   -2   14   11 o  204.142   2.2937  416.421   9.3582 -5.230774 4.587373 
1 1 1   -2   14   12 o  857.482   5.9051  7359.85  101.223 -15.72845 11.81015 
1 1 1   -2   14   13 o  288.933   2.4812  834.895   14.326 -1.470154 4.962412 
1 1 1   -2   14   14 o  558.635   3.9358  3122.57   43.966 -5.150391 7.871560 
1 1 1   -2   14   16 o  446.604   3.3335  1995.62   29.774 -1.011108 6.667034 
1 1 1   -2   14   18 o   46.830   9.7818   20.583   10.788 -22.68167 19.56359 
1 1 1   -2   14   19 o  212.333   3.1078  449.793   13.178 -14.26384 6.215611 
1 1 1   -2   14   20 o  203.768   3.1091  415.955   12.654 11.30719 6.218123 
1 1 1   -2   14   21 o  245.178   2.8997  601.542   14.215 8.233017 5.799366 
1 1 1   -2   14   22 o   35.968   10.151   6.3292   11.113 -3.708725 20.30111 
1 1 1   -2   14   23 f  335.036   2.9502  1122.21   19.753 10.99356 5.900366 
1 1 1   -2   14   24 o  234.597   3.0020  550.418   14.077 10.33168 6.004064 
1 1 1   -2   14   25 o   24.091   8.1373 -20.3077   10.919 -0.2049637E-01 16.27466 
1 1 1   -2   14   26 f  346.254   2.9444  1201.17   20.390 -1.654236 5.888746 
1 1 1   -2   14   27 o  111.745   4.8610  126.434   10.799 -10.82821 9.721940 
1 1 1   -2   14   28 o  269.008   2.8451  725.243   15.303 3.718658 5.690135 
1 1 1   -2   14   30 f   85.619   6.4278   75.269   10.945 -4.425713 12.85568 
1 1 1   -2   14   31 o  109.931   4.9497  122.009   10.871 1.025902 9.899484 
1 1 1   -2   14   32 o  125.389   6.9208  158.110   17.356      ?      ? 
1 1 1   -2   14   33 o  106.288   5.8024  113.495   12.234 12.04963 11.60481 
1 1 1   -2   14   34 o  122.382   4.7494  151.746   11.508 -2.066376 9.498720 
1 1 1   -2   14   35 o  134.488   4.4972  182.777   11.981 3.577560 8.994322 
1 1 1   -2   14   36 o  121.366   4.9481  148.938   11.930 3.816757 9.896259 
1 1 1   -2   14   37 f  190.116   3.8636  365.371   14.594 0.8567963 7.727256 
1 1 1   -2   14   38 o  111.396   5.2840  127.822   11.597 -12.93737 10.56798 
1 1 1   -2   14   39 o   53.215   9.5775   32.016   10.308 -9.270699 19.15496 
1 1 1   -2   15    1 o  439.865   3.7798  1956.41   31.788 -15.95795 7.559563 
1 1 1   -2   15    2 o  263.873   3.9895  696.631   21.055      ?      ? 
1 1 1   -2   15    3 o  618.391   5.2498  3831.24   61.185 -0.7322388 10.49952 
1 1 1   -2   15    4 o  274.327   2.5718  753.769   13.212 -1.003510 5.143568 
1 1 1   -2   15    5 o  350.491   3.1126  1235.29   20.601 -5.480072 6.225212 
1 1 1   -2   15    6 o  410.729   3.5878  1685.39   27.645 1.838409 7.175551 
1 1 1   -2   15    7 o  536.432   4.5531  2913.73   46.886 -22.95874 9.106242 
1 1 1   -2   15    8 o  699.540   5.9181  4902.74   78.079 -0.6382446 11.83628 
1 1 1   -2   15    9 o  394.840   3.5034  1580.69   26.563 -19.83569 7.006852 
1 1 1   -2   15   10 o  376.275   3.4388  1416.47   24.373 0.1229858E-01 6.877687 
1 1 1   -2   15   11 o  211.986   3.3313  449.496   14.124      ?      ? 
1 1 1   -2   15   12 o  434.209   3.1392  1883.89   27.232 -11.23044 6.278440 
1 1 1   -2   15   13 o  210.145   2.4784  441.707   10.403 -0.3413391 4.956708 
1 1 1   -2   15   15 o  217.725   2.7576  474.258   12.005 0.7773285 5.515281 
1 1 1   -2   15   17 o  250.346   2.7693  626.524   13.850 16.65570 5.538660 
1 1 1   -2   15   18 o  272.217   3.9649  741.405   21.586      ?      ? 
1 1 1   -2   15   19 o  459.792   3.4305  2116.14   31.546 2.193115 6.861035 
1 1 1   -2   15   20 o  502.168   3.6631  2524.64   36.787 -3.222839 7.326272 
1 1 1   -2   15   21 o  262.651   2.8102  690.509   14.758 0.8457031 5.620314 
1 1 1   -2   15   22 o  277.017   2.8516  768.094   15.798 2.543518 5.703101 
1 1 1   -2   15   23 o  175.317   3.5098  306.977   12.287 9.021881 7.019695 
1 1 1   -2   15   24 f  230.534   2.9089  532.364   13.412 -0.2359009 5.817880 
1 1 1   -2   15   25 o   98.589   5.3528   97.929   10.535 -5.421967 10.70565 
1 1 1   -2   15   26 o  270.912   2.7798  734.849   15.053 5.506439 5.559529 
1 1 1   -2   15   27 o   51.031   9.8861   27.603   10.371 1.761932 19.77229 
1 1 1   -2   15   28 o   20.558   7.2135 -38.9371   11.459 -0.7693977 14.42704 
1 1 1   -2   15   29 o  131.823   4.6774  176.117   12.219 -11.68549 9.354800 
1 1 1   -2   15   30 o  156.394   3.6769  247.189   11.440 -14.39740 7.353854 
1 1 1   -2   15   31 o   63.744   9.0996   46.542   11.378 -30.73848 18.19914 
1 1 1   -2   15   32 o  215.223   3.4125  466.026   14.647 -10.02153 6.825058 
1 1 1   -2   15   33 o  212.487   3.1991  454.981   13.548 -3.917664 6.398281 
1 1 1   -2   15   34 o  116.134   5.0676  137.214   11.654 -6.498833 10.13517 
1 1 1   -2   15   35 o  154.223   4.0284  239.780   12.343 0.9774628 8.056822 
1 1 1   -2   15   36 f  133.112   4.5609  178.701   12.067 5.173309 9.121710 
1 1 1   -2   15   37 o   54.720   10.959   32.841   12.537 -6.596157 21.91756 
1 1 1   -2   15   38 o   81.999   6.7717   68.491   10.922 20.45166 13.54346 
1 1 1   -2   16    1 o  436.927   3.7776  1925.64   31.425 -11.63110 7.555284 
1 1 1   -2   16    2 o  550.600   4.6917  3050.33   49.020 -9.027954 9.383378 
1 1 1   -2   16    3 o  350.499   5.0451  1229.32   35.366      ?      ? 
1 1 1   -2   16    4 f  244.606   2.2937  611.250   9.7453 -10.69978 4.587329 
1 1 1   -2   16    5 o  561.180   4.7535  3181.61   50.998 -18.10187 9.506941 
1 1 1   -2   16    6 o  209.399   2.5029  439.268   9.6190 -0.8122559 5.005839 
1 1 1   -2   16    7 o  265.094   2.6980  705.027   13.386 -2.230988 5.395989 
1 1 1   -2   16    8 o  220.104   2.6750  483.643   10.873 1.115265 5.350008 
1 1 1   -2   16    9 o  355.857   3.2262  1273.33   21.856 -5.980011 6.452434 
1 1 1   -2   16   10 o  314.878   3.0354  990.398   18.098 1.454254 6.070711 
1 1 1   -2   16   11 o  195.304   2.9235  377.333   10.978 7.707718 5.846931 
1 1 1   -2   16   12 o  376.971   2.8540  1421.43   21.511 -2.167694 5.707973 
1 1 1   -2   16   14 o  338.478   2.7621  1138.15   18.616 -24.35245 5.524180 
1 1 1   -2   16   15 o  319.491   3.9129  1021.19   25.003      ?      ? 
1 1 1   -2   16   16 o  321.118   2.7894  1031.65   17.912 -1.098206 5.578830 
1 1 1   -2   16   17 o  461.329   4.8611  2129.92   44.852      ?      ? 
1 1 1   -2   16   18 o  310.775   2.8078  966.560   17.448 2.235107 5.615607 
1 1 1   -2   16   19 o  137.227   3.9539  188.521   10.850 -3.007965 7.907879 
1 1 1   -2   16   20 o  126.611   4.2275  160.514   10.697 -6.883804 8.455026 
1 1 1   -2   16   21 o  165.988   3.4456  275.872   11.435 -5.525513 6.891109 
1 1 1   -2   16   22 o  287.864   2.8254  829.135   16.263 -7.226105 5.650793 
1 1 1   -2   16   23 o   48.982   9.8600   24.922   10.339 -11.09584 19.71993 
1 1 1   -2   16   24 o  114.135   4.4987  130.773   10.269 -0.2404785E-01 8.997424 
1 1 1   -2   16   25 o  123.655   4.1971  153.437   10.375 2.833206 8.394264 
1 1 1   -2   16   26 o  195.344   2.9688  382.753   11.593 -3.332458 5.937566 
1 1 1   -2   16   27 f  200.091   3.0740  401.417   12.294 5.740494 6.147923 
1 1 1   -2   16   28 f  222.227   3.3277  488.790   14.702 25.08891 6.655409 
1 1 1   -2   16   29 o  182.033   3.4969  332.997   12.660 0.2076263 6.993778 
1 1 1   -2   16   30 o  221.085   2.9956  490.652   13.238 0.4061584 5.991286 
1 1 1   -2   16   31 f  186.461   4.7372  348.409   17.666      ?      ? 
1 1 1   -2   16   32 o   42.122   10.603   16.913   11.185 -0.4287643 21.20584 
1 1 1   -2   16   33 o  117.259   4.8486  138.557   11.294 2.932953 9.697148 
1 1 1   -2   16   34 o   35.558   10.241   6.8126   11.452 1.972851 20.48266 
1 1 1   -2   16   35 o  118.016   4.9953  142.074   11.699 -5.282524 9.990502 
1 1 1   -2   16   36 o  151.854   4.0688  234.645   12.235 -7.445068 8.137571 
1 1 1   -2   16   37 o  100.090   6.1990  102.037   12.380 -6.412994 12.39804 
1 1 1   -2   16   38 o  122.808   4.3105  153.162   10.568 -7.798592 8.620986 
1 1 1   -2   17    1 o  181.452   2.0595  314.190   6.8535 20.26208 4.118922 
1 1 1   -2   17    2 o  466.006   3.9944  2191.46   35.519 -13.46268 7.988803 
1 1 1   -2   17    3 o  391.121   3.4033  1537.97   25.241 -6.091766 6.806506 
1 1 1   -2   17    4 o  708.775   5.6375  5079.69   70.221 -15.04858 11.27505 
1 1 1   -2   17    5 o  346.479   3.1273  1197.03   20.244 3.132782 6.254585 
1 1 1   -2   17    6 f  698.724   5.9066  4909.49   78.303 -9.336609 11.81313 
1 1 1   -2   17    7 o  471.907   4.1073  2207.23   36.022 12.05347 8.214685 
1 1 1   -2   17    8 o  332.725   3.0717  1100.90   19.165 5.664185 6.143337 
1 1 1   -2   17    9 o  274.304   2.8015  749.945   14.506 3.008392 5.602924 
1 1 1   -2   17   10 o  200.090   2.9227  403.040   11.086 -4.022339 5.845329 
1 1 1   -2   17   11 o  398.795   5.9253  1591.77   47.260      ?      ? 
1 1 1   -2   17   12 o  159.643   3.7965  261.069   11.355 -11.38049 7.593006 
1 1 1   -2   17   13 o  350.179   3.8960  1226.70   27.286      ?      ? 
1 1 1   -2   17   14 o  190.451   2.8009  360.991   10.641 -15.65416 5.601890 
1 1 1   -2   17   15 o  231.061   2.7060  534.000   12.498 -1.754486 5.411991 
1 1 1   -2   17   17 o  104.821   4.8002  109.924   9.9692 -19.43732 9.600451 
1 1 1   -2   17   18 o   87.368   5.7618   76.353   10.040 -9.202133 11.52352 
1 1 1   -2   17   19 o  157.119   3.4891  247.018   10.937 -15.22552 6.978288 
1 1 1   -2   17   20 o  104.428   4.9824  109.459   10.388 7.563881 9.964847 
1 1 1   -2   17   21 f   88.852   6.0353   79.593   10.663 -11.17356 12.07059 
1 1 1   -2   17   22 o   89.701   5.8939   80.882   10.560 6.338760 11.78776 
1 1 1   -2   17   23 f   49.302   9.2703   25.170   9.7827 19.35203 18.54059 
1 1 1   -2   17   24 o   47.250   9.6637   23.329   9.6593 -2.589367 19.32746 
1 1 1   -2   17   25 o  148.135   3.5326  220.018   10.454 2.860413 7.065243 
1 1 1   -2   17   27 o  409.655   4.6607  1680.88   38.185      ?      ? 
1 1 1   -2   17   28 o  195.503   3.4099  384.430   13.288 1.523590 6.819798 
1 1 1   -2   17   29 o  162.048   3.5360  263.098   11.433 7.380508 7.072040 
1 1 1   -2   17   31 o  140.641   4.2123  200.152   11.745 -3.599106 8.424556 
1 1 1   -2   17   32 o   45.610   10.094   22.386   10.516 -9.619755 20.18781 
1 1 1   -2   17   33 o   58.040   9.5582   36.259   10.840 4.011589 19.11644 
1 1 1   -2   17   34 o  104.559   5.3394  111.020   11.118 0.9683838 10.67888 
1 1 1   -2   17   35 o   54.883   9.8039   33.897   10.856 -10.90792 19.60788 
1 1 1   -2   17   36 o   32.576   9.7022   2.6096   10.830 -1.984556 19.40436 
1 1 1   -2   17   37 o  190.043   3.7401  362.385   14.040 -4.344391 7.480159 
1 1 1   -2   18    1 o  397.964   3.5089  1584.04   26.261 0.3711243 7.017814 
1 1 1   -2   18    2 f  544.504   4.6665  2982.15   48.212 -8.575256 9.332948 
1 1 1   -2   18    3 o  289.219   2.7095  839.930   14.785 -3.354004 5.419017 
1 1 1   -2   18    4 o  629.578   5.0279  4004.12   55.549 -12.22858 10.05581 
1 1 1   -2   18    5 o  208.119   2.5193  416.992   9.3054 16.62402 5.038671 
1 1 1   -2   18    6 f  191.789   4.1772  367.989   16.023      ?      ? 
1 1 1   -2   18    7 o  422.042   3.6827  1803.12   29.801 -18.02686 7.365378 
1 1 1   -2   18    8 o  528.885   4.5409  2802.23   45.358 -1.457153 9.081850 
1 1 1   -2   18    9 o  311.488   3.0362  989.961   18.187 -24.55676 6.072330 
1 1 1   -2   18   10 o  555.887   4.7991  3084.63   50.116 4.517639 9.598265 
1 1 1   -2   18   11 o  276.710   3.1062  761.148   16.063 4.875153 6.212362 
1 1 1   -2   18   12 o  373.522   3.5405  1387.79   24.780 6.283783 7.080948 
1 1 1   -2   18   13 o  232.587   3.2232  538.586   14.005 3.248474 6.446380 
1 1 1   -2   18   14 o  486.576   3.5225  2358.75   34.166 -25.67313 7.045050 
1 1 1   -2   18   15 o  116.353   4.2075  134.971   9.6832 -23.93302 8.415098 
1 1 1   -2   18   16 o  234.630   2.6348  550.991   12.361 3.967041 5.269550 
1 1 1   -2   18   17 o  127.756   3.8379  163.288   9.8014 -4.332672 7.675758 
1 1 1   -2   18   18 o  514.896   3.7092  2655.15   38.196 -1.853394 7.418496 
1 1 1   -2   18   19 o  240.751   2.7145  580.107   13.070 1.447632 5.429037 
1 1 1   -2   18   20 o  206.863   2.8968  428.358   11.983 -4.476852 5.793639 
1 1 1   -2   18   21 o  157.107   3.4050  247.461   10.693 -4.928238 6.809909 
1 1 1   -2   18   22 o  149.238   3.4565  223.466   10.305 -6.791946 6.912989 
1 1 1   -2   18   23 o  128.192   3.9062  164.966   9.9974 -1.004997 7.812340 
1 1 1   -2   18   24 o  141.684   3.5906  201.732   10.148 -2.784119 7.181175 
1 1 1   -2   18   25 o   98.740   5.0102   97.892   9.8766 6.286613 10.02038 
1 1 1   -2   18   27 o  227.919   4.4177  521.092   20.138      ?      ? 
1 1 1   -2   18   28 o  133.429   3.8908  178.870   10.367 3.223114 7.781689 
1 1 1   -2   18   29 o  183.524   3.1707  339.807   11.626 0.1114197 6.341347 
1 1 1   -2   18   30 o  147.778   5.7638  219.247   17.035      ?      ? 
1 1 1   -2   18   31 o   57.428   9.1625   35.452   10.270 9.858456 18.32501 
1 1 1   -2   18   32 o  111.397   4.9237  123.812   10.904 13.22012 9.847416 
1 1 1   -2   18   33 o   47.117   10.266   23.282   10.690 8.747555 20.53115 
1 1 1   -2   18   34 o   39.254   9.9106   13.219   10.627 -13.25581 19.82122 
1 1 1   -2   18   35 o   70.732   7.9923   53.902   10.773 -12.09386 15.98461 
1 1 1   -2   18   36 o   96.316   5.5900   94.043   10.727 3.674973 11.18006 
1 1 1   -2   18   37 o   32.010   9.6820  -3.2634   11.976 12.90878 19.36409 
1 1 1   -2   19    1 o  374.060   5.4438  1400.23   40.726      ?      ? 
1 1 1   -2   19    2 o  394.510   3.4579  1568.05   25.987 -9.176605 6.915810 
1 1 1   -2   19    3 o  335.564   3.0294  1125.53   19.158 0.8499146 6.058881 
1 1 1   -2   19    4 o  406.453   3.3756  1643.46   23.549 4.426575 6.751274 
1 1 1   -2   19    5 o  426.681   3.7548  1806.71   29.782 9.393158 7.509562 
1 1 1   -2   19    6 o  604.313   8.4292  3658.43  101.877      ?      ? 
1 1 1   -2   19    7 f  340.283   5.2731  1158.75   35.887      ?      ? 
1 1 1   -2   19    8 o   30.904   13.507  -3.5059   15.806      ?      ? 
1 1 1   -2   19    9 o  319.437   3.1416  1048.52   19.516 -51.92099 6.283279 
1 1 1   -2   19   10 f  190.649   3.2244  350.546   11.278 16.81297 6.448807 
1 1 1   -2   19   11 o  445.424   3.9910  1981.84   33.388 2.682526 7.981914 
1 1 1   -2   19   12 o  346.742   3.4019  1202.01   22.211 0.9169617 6.803720 
1 1 1   -2   19   13 o  285.722   3.2574  805.526   17.269 10.49036 6.514827 
1 1 1   -2   19   14 o  246.201   3.2771  602.537   15.043 4.523788 6.554153 
1 1 1   -2   19   15 o  358.706   2.8337  1284.87   20.293 -12.04080 5.667449 
1 1 1   -2   19   16 o  103.015   4.5061  106.261   9.2099 -17.53384 9.012248 
1 1 1   -2   19   17 o  232.105   2.6332  538.777   12.219 -5.855316 5.266451 
1 1 1   -2   19   18 o  202.916   2.7872  412.115   11.310 -0.7832336 5.574462 
1 1 1   -2   19   19 o  144.089   3.5195  207.942   10.142 -0.7312469 7.039001 
1 1 1   -2   19   20 o   24.264   7.9836 -12.8080   9.4884 3.725426 15.96721 
1 1 1   -2   19   21 f  262.987   2.6428  692.539   13.900 1.781647 5.285545 
1 1 1   -2   19   22 o  254.377   2.6456  647.942   13.457 -7.655045 5.291188 
1 1 1   -2   19   23 o   99.657   4.7850   99.785   9.5149 2.235573 9.569931 
1 1 1   -2   19   24 o  354.968   2.8822  1262.50   20.456 -7.888123 5.764412 
1 1 1   -2   19   25 o   96.476   7.6203   93.981   14.703      ?      ? 
1 1 1   -2   19   26 o  263.799   4.0176  696.968   21.197      ?      ? 
1 1 1   -2   19   27 o  147.815   3.5525  219.514   10.501 1.800201 7.105079 
1 1 1   -2   19   28 o   19.520   6.8025 -28.7401   9.5147 -2.327053 13.60491 
1 1 1   -2   19   30 o  255.107   2.7655  653.094   14.080 2.758774 5.531067 
1 1 1   -2   19   31 o  105.234   4.9943  111.477   10.445 4.638489 9.988561 
1 1 1   -2   19   32 o  118.174   4.6159  142.124   10.867 -3.173370 9.231886 
1 1 1   -2   19   33 o   26.952   8.6507  -8.6316   10.412 -4.759417 17.30131 
1 1 1   -2   19   34 o   30.316   9.2434  -1.2490   10.590 -5.599611 18.48688 
1 1 1   -2   19   35 o   56.469   9.4606   35.784   10.584 -12.14657 18.92115 
1 1 1   -2   19   36 o   89.024   6.8320   82.177   11.888 5.711769 13.66400 
1 1 1   -2   20    1 o  329.177   3.0695  1038.36   18.196 31.13687 6.138922 
1 1 1   -2   20    2 o  318.985   4.8000  1018.11   30.622      ?      ? 
1 1 1   -2   20    3 o  239.262   2.5616  557.659   11.398 16.56776 5.123142 
1 1 1   -2   20    4 o  517.280   4.1970  2687.44   37.800 -3.887512 8.394085 
1 1 1   -2   20    5 o  354.810   3.2224  1277.06   21.814 -17.20459 6.444734 
1 1 1   -2   20    6 o  492.301   4.2284  2463.02   40.213 -31.56775 8.456754 
1 1 1   -2   20    7 f  346.268   3.7122  1199.27   25.700 -12.81992 7.424493 
1 1 1   -2   20    8 o  616.749   5.2776  3806.14   61.271 1.812256 10.55527 
1 1 1   -2   20    9 o  299.361   3.1019  881.150   17.008 12.70731 6.203828 
1 1 1   -2   20   10 f  241.597   3.0962  599.129   13.920 -17.93489 6.192419 
1 1 1   -2   20   11 o  346.662   3.4232  1150.02   21.431 34.39572 6.846359 
1 1 1   -2   20   12 o  374.182   3.5620  1407.70   25.188 -5.223267 7.124089 
1 1 1   -2   20   13 o  259.858   3.2095  665.607   15.464 10.27130 6.418943 
1 1 1   -2   20   14 o  120.485   5.1783  154.089   11.131 -17.02941 10.35659 
1 1 1   -2   20   15 f  346.364   3.4621  1197.84   22.428 2.590790 6.924256 
1 1 1   -2   20   16 o  114.676   4.0217  131.507   9.1790 -15.65715 8.043449 
1 1 1   -2   20   17 o  283.140   2.6184  802.256   14.823 -1.356689 5.236845 
1 1 1   -2   20   18 o  261.442   2.6065  684.189   13.628 1.338806 5.212921 
1 1 1   -2   20   19 o  215.455   2.6811  464.863   11.553 1.407822 5.362250 
1 1 1   -2   20   20 o  148.825   3.2595  221.953   9.7009 2.041748 6.518914 
1 1 1   -2   20   21 o   28.625   8.4691  -2.5545   8.8863 11.92476 16.93823 
1 1 1   -2   20   22 o  251.809   2.6047  635.318   13.116 -5.065063 5.209468 
1 1 1   -2   20   23 o  271.028   2.6374  736.053   14.296 1.651215 5.274761 
1 1 1   -2   20   24 o  134.828   3.8316  182.707   10.314 -10.83127 7.663208 
1 1 1   -2   20   25 f  190.919   4.3280  365.032   16.526      ?      ? 
1 1 1   -2   20   26 o  102.857   4.7065  107.083   9.6450 -8.597832 9.413011 
1 1 1   -2   20   27 o  111.918   4.2050  126.348   9.3929 -8.729118 8.409962 
1 1 1   -2   20   28 o  232.236   3.8084  540.163   17.689      ?      ? 
1 1 1   -2   20   30 o   84.705   5.8860   71.899   9.8844 13.31244 11.77201 
1 1 1   -2   20   31 o   93.595   5.6183   89.661   10.410 -4.721344 11.23655 
1 1 1   -2   20   32 o  141.168   3.9187  199.399   10.987 9.336990 7.837406 
1 1 1   -2   20   33 o  136.271   4.1219  186.892   11.117 3.874268 8.243863 
1 1 1   -2   20   34 o  127.998   4.3324  163.284   10.991 13.80685 8.664703 
1 1 1   -2   20   35 o   91.790   5.7919   85.042   10.569 6.006935 11.58375 
1 1 1   -2   20   36 o   26.165   8.6881   13.833   11.722 1.637920 17.37621 
1 1 1   -2   21    1 o  949.349   8.5014  8919.25  147.963 31.97174 17.00279 
1 1 1   -2   21    2 o  354.667   3.2149  1243.66   21.253 11.39423 6.429888 
1 1 1   -2   21    3 o  437.787   3.6201  1904.39   27.148 5.868958 7.240107 
1 1 1   -2   21    4 o  467.453   3.8100  2215.93   31.390 -13.33292 7.619906 
1 1 1   -2   21    5 o  295.934   2.7234  877.119   13.779 -0.6653442 5.446769 
1 1 1   -2   21    6 o  630.339   5.0223  4057.70   56.565 -28.40082 10.04467 
1 1 1   -2   21    7 f  248.980   2.6535  650.838   11.438 -25.53316 5.307040 
1 1 1   -2   21    8 o  184.771   5.1770  341.700   19.131      ?      ? 
1 1 1   -2   21    9 o  323.651   3.2297  1042.15   19.321 4.843903 6.459467 
1 1 1   -2   21   10 o  347.911   3.3510  1222.45   22.010 -9.806793 6.702021 
1 1 1   -2   21   11 o  297.572   3.1559  897.206   17.676 -11.24796 6.311872 
1 1 1   -2   21   12 o  200.376   3.3871  409.799   12.330 -9.681824 6.774155 
1 1 1   -2   21   13 o  214.247   3.3418  445.789   12.876 14.30991 6.683539 
1 1 1   -2   21   14 o  370.050   3.5802  1371.77   24.797 -0.4789124 7.160476 
1 1 1   -2   21   15 o  280.281   3.2268  791.221   16.940 -4.896393 6.453651 
1 1 1   -2   21   16 o   47.088   9.7965   24.517   10.573 -17.83238 19.59300 
1 1 1   -2   21   17 o  321.002   2.6795  1030.32   17.192 11.78168 5.359097 
1 1 1   -2   21   18 f  187.447   2.7189  351.429   10.185 -9.883347 5.437784 
1 1 1   -2   21   19 o  122.717   3.7025  151.302   9.0530 -12.79207 7.404917 
1 1 1   -2   21   20 o  268.641   2.5609  722.766   13.758 -5.505005 5.121843 
1 1 1   -2   21   21 o  221.065   2.5979  489.974   11.477 -9.114227 5.195734 
1 1 1   -2   21   22 o  127.921   3.5635  164.546   9.0932 -3.612793 7.127056 
1 1 1   -2   21   23 f   18.695   6.5479 -31.4359   9.1955 4.085930 13.09578 
1 1 1   -2   21   24 o  145.435   5.1230  211.942   14.901      ?      ? 
1 1 1   -2   21   25 o  173.209   2.9933  300.795   10.361 3.723511 5.986563 
1 1 1   -2   21   26 o   33.370   8.9966   5.7517   9.0004 13.17113 17.99314 
1 1 1   -2   21   27 o  119.189   4.1385  143.837   9.7570 -19.93840 8.276962 
1 1 1   -2   21   29 o   77.192   6.2452   60.443   9.5890 10.93139 12.49045 
1 1 1   -2   21   30 f   60.365   8.5014   42.405   10.043 -35.25183 17.00286 
1 1 1   -2   21   31 o  153.088   3.5973  235.281   10.970 4.942551 7.194582 
1 1 1   -2   21   32 o  139.545   4.0450  198.902   11.092 -10.16158 8.089968 
1 1 1   -2   21   33 o   49.955   10.170   27.567   10.662 -3.439526 20.33984 
1 1 1   -2   21   34 o  192.062   3.2038  370.764   12.189 0.7194977 6.407595 
1 1 1   -2   21   35 o   48.793   10.546   26.253   11.253 -3.623611 21.09212 
1 1 1   -2   22    1 o  315.016   3.4465  992.720   21.714      ?      ? 
1 1 1   -2   22    2 o  212.923   2.3331  459.500   9.5553 -10.78877 4.666108 
1 1 1   -2   22    3 o  477.898   3.9544  2239.99   31.759 17.45056 7.908724 
1 1 1   -2   22    4 o  433.119   3.8651  1792.27   29.767 42.03137 7.730257 
1 1 1   -2   22    5 o  305.181   2.8711  826.929   13.326 52.90341 5.742276 
1 1 1   -2   22    6 o  490.581   3.9832  2453.01   34.746 -19.90323 7.966498 
1 1 1   -2   22    7 o  520.339   4.4776  2743.02   44.740 -22.50705 8.955183 
1 1 1   -2   22    8 o  418.815   3.7345  1774.69   29.857 -15.44879 7.468930 
1 1 1   -2   22    9 o  461.908   4.0887  2127.33   35.314 5.489319 8.177387 
1 1 1   -2   22   10 o  355.683   3.3962  1276.33   22.722 -8.376892 6.792315 
1 1 1   -2   22   11 o  163.310   3.7307  278.999   10.606 -15.43443 7.461427 
1 1 1   -2   22   12 o  643.122   5.5315  4128.68   66.531 8.759216 11.06304 
1 1 1   -2   22   13 o  191.166   3.5343  378.676   12.205 -16.22649 7.068557 
1 1 1   -2   22   14 o  483.093   4.3124  2341.71   39.227 -1.981750 8.624783 
1 1 1   -2   22   15 o  348.359   3.4936  1205.92   22.456 6.899719 6.987202 
1 1 1   -2   22   16 o  278.505   3.2171  781.397   16.551 -4.215912 6.434122 
1 1 1   -2   22   17 o  404.698   3.7727  1642.70   28.516 -0.6484375 7.545357 
1 1 1   -2   22   18 o  137.281   3.2354  188.536   8.8751 7.008087 6.470757 
1 1 1   -2   22   19 o  113.341   3.7665  128.649   8.5274 7.777245 7.533084 
1 1 1   -2   22   20 o  170.469   2.7869  291.427   9.4889 -2.043259 5.573826 
1 1 1   -2   22   21 o  100.940   4.2650  103.860   8.4887 -15.82410 8.530027 
1 1 1   -2   22   22 o   94.225   7.0649   89.358   13.314      ?      ? 
1 1 1   -2   22   24 o   57.158   7.7775   33.762   8.6958 10.00436 15.55492 
1 1 1   -2   22   25 o  178.153   2.8527  318.627   10.133 -1.241440 5.705342 
1 1 1   -2   22   26 f   60.834   8.1937   41.633   9.5589 -34.63051 16.38738 
1 1 1   -2   22   27 o  249.209   3.8439  623.361   19.159      ?      ? 
1 1 1   -2   22   28 o  125.828   3.9217  159.881   9.8238 -0.4977722 7.843475 
1 1 1   -2   22   29 o  186.675   3.0713  347.895   11.389 8.145187 6.142604 
1 1 1   -2   22   30 o   80.020   6.3538   66.058   10.023 -5.038544 12.70765 
1 1 1   -2   22   31 o   23.439   7.8721 -16.9497   10.107 -1.562832 15.74419 
1 1 1   -2   22   32 o   30.473   9.1701  -0.2919   10.310 -7.062716 18.34016 
1 1 1   -2   22   33 o  117.061   4.6396  138.366   10.680 2.223000 9.279263 
1 1 1   -2   22   34 o   69.051   8.5093   50.795   11.291 -19.62788 17.01858 
1 1 1   -2   23    1 o  511.286   7.2241  2619.72   73.872      ?      ? 
1 1 1   -2   23    2 o  389.340   3.4812  1514.06   25.476 2.356201 6.962396 
1 1 1   -2   23    3 o  279.514   2.5418  776.260   12.179 3.692688 5.083604 
1 1 1   -2   23    4 o  429.190   3.5477  1860.08   26.626 -7.969757 7.095360 
1 1 1   -2   23    5 o  271.909   2.6282  720.639   11.809 12.33881 5.256413 
1 1 1   -2   23    6 o  165.628   2.7863  271.852   7.3392 2.583435 5.572675 
1 1 1   -2   23    7 f  498.405   4.0826  2498.70   35.369 -4.711212 8.165296 
1 1 1   -2   23    8 o  276.757   2.7871  783.810   13.064 -11.95432 5.574205 
1 1 1   -2   23    9 o  328.870   3.6432  1083.02   23.952 -13.71246 7.286484 
1 1 1   -2   23   10 o  417.616   3.7705  1754.69   29.706 -5.854034 7.541043 
1 1 1   -2   23   11 o  346.183   3.3748  1190.95   21.613 6.719421 6.749579 
1 1 1   -2   23   12 o  339.285   3.3776  1149.09   21.234 2.679413 6.755202 
1 1 1   -2   23   13 o  346.785   3.4142  1213.85   22.262 -8.227142 6.828355 
1 1 1   -2   23   14 o  159.109   3.8626  255.883   11.009 -3.122925 7.725152 
1 1 1   -2   23   15 o  215.132   3.2692  462.904   12.667 0.7709351 6.538384 
1 1 1   -2   23   16 f  205.572   3.3041  418.198   11.883 5.072525 6.608246 
1 1 1   -2   23   17 o   85.762   6.3734   70.224   9.4230 8.677635 12.74673 
1 1 1   -2   23   18 o  125.917   4.9394  175.170   10.086 -22.62209 9.878863 
1 1 1   -2   23   19 o  279.453   3.2316  782.118   16.415 0.6784363 6.463140 
1 1 1   -2   23   20 f  151.555   2.9845  230.589   9.0369 -2.573273 5.969061 
1 1 1   -2   23   23 o   97.311   4.4607   95.110   8.6648 4.999649 8.921329 
1 1 1   -2   23   24 o  236.364   2.5646  558.926   12.086 6.911438 5.129274 
1 1 1   -2   23   25 o  127.852   4.9446  163.978   12.643      ?      ? 
1 1 1   -2   23   26 o  194.707   3.9033  380.586   15.200      ?      ? 
1 1 1   -2   23   27 o  195.662   2.7700  384.988   10.823 -3.576294 5.540073 
1 1 1   -2   23   28 o  118.877   4.2338  142.088   9.9733 1.273552 8.467636 
1 1 1   -2   23   29 o  151.852   3.5314  232.085   10.665 1.437241 7.062855 
1 1 1   -2   23   30 o  163.581   3.3895  268.862   11.010 2.961227 6.778912 
1 1 1   -2   23   31 o  109.487   4.7719  122.838   10.279 -6.123062 9.543705 
1 1 1   -2   23   32 o   76.868   6.6150   61.269   9.9353 -3.698349 13.23000 
1 1 1   -2   23   33 o   70.544   8.4703   54.118   11.249 26.91620 16.94070 
1 1 1   -2   24    1 o  416.531   6.0011  1738.13   49.993      ?      ? 
1 1 1   -2   24    3 o  293.170   2.6279  830.074   12.796 18.12451 5.255847 
1 1 1   -2   24    4 o  354.429   3.0459  1231.65   18.140 13.14908 6.091834 
1 1 1   -2   24    5 o  313.390   2.7799  997.149   15.194 -9.453339 5.559702 
1 1 1   -2   24    6 o  305.767   2.7993  933.456   14.502 1.282959 5.598589 
1 1 1   -2   24    7 o  182.062   2.7503  324.633   7.7394 6.055374 5.500603 
1 1 1   -2   24    8 o   62.066   7.3939   41.472   6.2803 -5.863747 14.78790 
1 1 1   -2   24    9 o   22.937   7.7592 -12.0215   6.7172 15.12817 15.51831 
1 1 1   -2   24   10 o  176.266   3.3601  327.415   10.422 -20.51830 6.720226 
1 1 1   -2   24   11 f  311.597   3.1865  964.784   18.272 5.975098 6.373064 
1 1 1   -2   24   12 o   73.235   8.0016   62.227   9.0955 -18.54815 16.00327 
1 1 1   -2   24   13 o  258.507   3.0976  668.488   14.486 0.7475586 6.195254 
1 1 1   -2   24   14 o   56.289   9.1624   37.252   9.1125 -16.26802 18.32476 
1 1 1   -2   24   15 o   85.898   6.5325   79.039   9.2608 -10.13480 13.06508 
1 1 1   -2   24   16 o  221.273   3.1559  478.755   12.324 11.20695 6.311790 
1 1 1   -2   24   17 o   42.568   9.6265   19.399   9.0014 -8.342922 19.25296 
1 1 1   -2   24   18 o  225.866   3.2318  499.449   12.771 10.78366 6.463664 
1 1 1   -2   24   19 o  177.854   3.6259  309.852   11.313 9.023178 7.251707 
1 1 1   -2   24   20 o  248.369   3.2789  550.518   14.206 54.10257 6.557781 
1 1 1   -2   24   21 o  139.698   3.3187  196.561   9.2602 -4.082687 6.637303 
1 1 1   -2   24   22 o   40.081   8.8791   16.417   8.1106 -8.286465 17.75821 
1 1 1   -2   24   23 o  114.786   3.8181  133.218   8.7378 -6.097412 7.636174 
1 1 1   -2   24   24 o  187.403   2.7249  350.266   10.188 11.04289 5.449752 
1 1 1   -2   24   25 o   37.975   7.9660   10.568   8.5501 -28.91889 15.93191 
1 1 1   -2   24   26 o   46.325   9.0654   22.616   8.7905 12.22076 18.13074 
1 1 1   -2   24   27 o  198.186   3.8291  393.908   15.177      ?      ? 
1 1 1   -2   24   28 o   42.027   9.5575   16.542   9.6721 17.65355 19.11497 
1 1 1   -2   24   29 o  109.562   4.7914  121.711   10.383 0.1526642E-01 9.582788 
1 1 1   -2   24   30 o   30.743   9.3167   0.0942   10.185 6.239759 18.63342 
1 1 1   -2   24   31 o   40.350   9.3061   16.084   9.6266 -16.57309 18.61226 
1 1 1   -2   24   32 o  146.439   4.0421  216.025   11.809 -1.960968 8.084218 
1 1 1   -2   25    1 o  114.594   5.6460  131.573   12.940      ?      ? 
1 1 1   -2   25    3 o  415.204   3.4456  1737.96   24.982 -5.998657 6.891251 
1 1 1   -2   25    4 o  286.340   2.6014  820.026   12.799 0.2612915 5.202840 
1 1 1   -2   25    5 o  353.556   3.0602  1242.14   18.421 4.790955 6.120426 
1 1 1   -2   25    6 o  470.654   3.8784  2222.76   31.689 -1.936523 7.756809 
1 1 1   -2   25    7 o  315.632   3.0175  1017.42   18.092 -21.58047 6.034953 
1 1 1   -2   25    8 o  146.660   3.2202  202.771   7.7757 14.91296 6.440345 
1 1 1   -2   25    9 o  155.774   3.2216  248.136   7.4126 -4.997101 6.443171 
1 1 1   -2   25   10 o   78.738   5.7840   60.763   6.5529 2.649834 11.56798 
1 1 1   -2   25   11 o  220.716   2.9395  492.159   11.708 -4.595825 5.879067 
1 1 1   -2   25   12 o   87.347   5.7021   76.570   8.3644 0.1449890 11.40417 
1 1 1   -2   25   13 o   98.882   5.3609   99.972   8.6923 -3.151733 10.72188 
1 1 1   -2   25   14 o  264.266   3.0589  687.731   14.525 10.17245 6.117715 
1 1 1   -2   25   15 f  158.229   3.5191  227.264   9.4893 28.23216 7.038108 
1 1 1   -2   25   16 o  293.010   3.1665  858.240   16.810 1.916290 6.333087 
1 1 1   -2   25   17 o  237.309   3.1616  563.090   13.441 1.698441 6.323100 
1 1 1   -2   25   18 o  214.123   5.7425  459.832   24.592      ?      ? 
1 1 1   -2   25   19 o  299.803   5.5314  901.351   33.166      ?      ? 
1 1 1   -2   25   20 o  163.005   3.8201  268.692   10.902 -2.172043 7.640128 
1 1 1   -2   25   21 f   96.003   6.1904  100.826   9.9245 -15.13776 12.38070 
1 1 1   -2   25   22 o  183.772   3.5132  343.567   11.660 -3.451782 7.026456 
1 1 1   -2   25   24 o  158.725   4.3518  253.317   13.815      ?      ? 
1 1 1   -2   25   25 o  103.828   4.2574  109.440   8.7753 -4.258728 8.514737 
1 1 1   -2   25   26 o  125.087   3.7874  157.316   9.4173 0.3392715 7.574871 
1 1 1   -2   25   27 o  173.069   3.0672  302.417   10.572 -11.25075 6.134487 
1 1 1   -2   25   28 o  107.042   4.5743  116.164   9.7229 -0.9573975 9.148545 
1 1 1   -2   25   29 o   89.637   5.6172   81.016   9.9793 8.626595 11.23448 
1 1 1   -2   25   30 o  100.473   5.0143  102.215   9.9753 2.150223 10.02854 
1 1 1   -2   25   31 o   83.225   6.4478   70.606   10.669 -12.42096 12.89567 
1 1 1   -2   25   32 o   37.475   9.2163   14.449   8.8199 18.81130 18.43263 
1 1 1   -2   26    1 o  305.277   4.7725  933.453   29.139      ?      ? 
1 1 1   -2   26    2 o  174.749   2.6973  305.535   9.4269      ?      ? 
1 1 1   -2   26    3 o  142.724   2.2954  190.700   6.0305 22.76857 4.590806 
1 1 1   -2   26    4 o  271.610   2.5327  716.221   11.449 14.52686 5.065443 
1 1 1   -2   26    5 o  253.862   2.5012  641.233   10.644 2.697174 5.002495 
1 1 1   -2   26    6 f  386.635   3.2617  1516.41   22.111 -10.36447 6.523405 
1 1 1   -2   26    7 o  159.325   2.7314  251.855   6.7582 2.208130 5.462882 
1 1 1   -2   26    8 o  142.879   3.0664  212.716   6.5843 -8.913239 6.132841 
1 1 1   -2   26    9 o  238.890   2.6481  573.512   10.291 -1.667160 5.296285 
1 1 1   -2   26   10 o  130.653   3.5746  179.086   6.5523 -8.764519 7.149293 
1 1 1   -2   26   11 o  264.586   2.7459  696.335   11.829 2.949249 5.491848 
1 1 1   -2   26   12 o   41.121   9.1593   17.506   7.6930 -2.899464 18.31865 
1 1 1   -2   26   13 o  115.647   4.5863  135.187   9.6818 -1.612877 9.172699 
1 1 1   -2   26   14 f   95.147   5.2813   91.478   8.2194 -0.8269730 10.56266 
1 1 1   -2   26   15 o  214.258   3.1123  449.058   11.469 10.14894 6.224668 
1 1 1   -2   26   16 f  219.090   3.3313  480.676   14.597      ?      ? 
1 1 1   -2   26   17 o  531.748   7.6475  2837.93   81.331      ?      ? 
1 1 1   -2   26   18 o   95.583   7.3538  124.672   9.7003 -57.51933 14.70764 
1 1 1   -2   26   19 o  129.279   4.3754  168.354   9.6010 -0.4532776 8.750854 
1 1 1   -2   26   20 f  211.835   3.3362  453.028   12.454 -2.607513 6.672362 
1 1 1   -2   26   22 o  263.277   5.1480  695.605   27.107      ?      ? 
1 1 1   -2   26   24 o   48.809   9.2139   29.205   10.094 -23.81046 18.42774 
1 1 1   -2   26   25 o  102.714   4.3997  106.086   8.9910 3.301537 8.799357 
1 1 1   -2   26   26 o   72.906   6.2117   54.871   8.9407 -6.949577 12.42341 
1 1 1   -2   26   27 o   35.795   9.4687   10.761   9.1089 0.4568748 18.93739 
1 1 1   -2   26   28 o  106.910   4.4721  115.608   9.5390 3.793098 8.944221 
1 1 1   -2   26   30 o  110.371   4.9411  123.165   10.880 -1.988968 9.882124 
1 1 1   -2   26   31 o   91.835   5.2321   88.608   9.2376 0.5755920 10.46428 
1 1 1   -2   27    1 o  187.040   4.1512  350.421   15.529      ?      ? 
1 1 1   -2   27    2 o  127.711   2.8759  163.229   7.3456      ?      ? 
1 1 1   -2   27    3 o  393.568   3.3027  1550.57   25.997      ?      ? 
1 1 1   -2   27    4 o  314.616   2.7313  983.323   14.698 4.617401 5.462555 
1 1 1   -2   27    5 o  139.602   2.5464  191.330   5.5660 4.264801 5.092839 
1 1 1   -2   27    6 o  100.081   3.3654   94.046   5.0701 9.476265 6.730872 
1 1 1   -2   27    7 o  249.565   2.5300  622.855   10.436 0.4191284 5.059981 
1 1 1   -2   27    8 o   62.440   6.6362   43.649   5.3207 -9.154266 13.27243 
1 1 1   -2   27    9 o  202.034   2.5649  408.966   8.1840 -0.2819366 5.129710 
1 1 1   -2   27   10 o   79.164   5.2102   63.515   5.5359 -1.060875 10.42034 
1 1 1   -2   27   11 o   83.986   5.3250   73.162   5.7367 -3.691978 10.64995 
1 1 1   -2   27   12 o  118.672   4.0261  148.800   6.3540 -8.633179 8.052234 
1 1 1   -2   27   13 o  227.621   2.9973  516.458   11.907 2.772354 5.994651 
1 1 1   -2   27   14 o  227.456   5.5083  519.059   25.058      ?      ? 
1 1 1   -2   27   15 o  224.274   5.6004  503.962   25.121      ?      ? 
1 1 1   -2   27   16 o  158.186   6.6976  253.126   21.189      ?      ? 
1 1 1   -2   27   17 o   38.602   9.6605   14.145   8.7110 -2.335468 19.32100 
1 1 1   -2   27   18 o   70.915   8.4102   58.404   8.9643 -15.46077 16.82037 
1 1 1   -2   27   20 o  329.780   5.5691  1090.64   36.732      ?      ? 
1 1 1   -2   27   21 o   54.855   16.375   32.933   19.319      ?      ? 
1 1 1   -2   27   22 o  140.619   4.4561  211.471   10.783 -17.44975 8.912121 
1 1 1   -2   27   23 o  134.038   4.5734  173.947   10.606 10.20676 9.146746 
1 1 1   -2   27   24 o  184.749   3.7467  346.836   12.125 -3.496826 7.493418 
1 1 1   -2   27   25 o  152.056   4.2707  231.850   11.176 1.410843 8.541455 
1 1 1   -2   27   26 o  114.543   5.9224  138.807   12.404 -12.08942 11.84489 
1 1 1   -2   27   27 o   29.117   8.9141  -2.6252   10.091 7.363205 17.82816 
1 1 1   -2   27   28 o  113.943   4.2968  133.849   9.5590 -12.49147 8.593673 
1 1 1   -2   27   29 o   97.944   4.9060  100.177   9.2566 -15.10872 9.812045 
1 1 1   -2   27   30 o   42.783   9.2373   19.550   9.1785 25.54356 18.47468 
1 1 1   -2   28    1 o  160.264   4.1623  257.381   13.341      ?      ? 
1 1 1   -2   28    2 f  122.121   2.8083  149.279   6.8591      ?      ? 
1 1 1   -2   28    3 o  204.184   2.0457  417.129   8.3539      ?      ? 
1 1 1   -2   28    4 o  203.544   2.0863  412.379   7.3018 2.180496 4.172656 
1 1 1   -2   28    5 o  354.660   3.0084  1262.23   18.553 -1.148010 6.016823 
1 1 1   -2   28    6 o  268.613   2.5169  705.390   11.217 11.30328 5.033723 
1 1 1   -2   28    7 o  202.012   2.9175  408.201   11.752 5.474487 5.834951 
1 1 1   -2   28    8 o  129.859   3.8237  172.528   9.7436 -21.95634 7.647326 
1 1 1   -2   28    9 o  110.607   3.4640  124.649   5.2816 -2.612892 6.928095 
1 1 1   -2   28   10 o   83.041   5.1127   80.027   5.4169 -16.83781 10.22548 
1 1 1   -2   28   11 o   63.186   7.0181   77.886   6.6372 -66.30181 14.03611 
1 1 1   -2   28   12 o  227.194   2.9811  475.345   11.361 32.89655 5.962129 
1 1 1   -2   28   13 f  131.140   4.1288  166.218   8.8190 7.931198 8.257544 
1 1 1   -2   28   14 o   87.396   6.1182   82.613   8.2962 -9.694916 12.23649 
1 1 1   -2   28   15 o  112.619   4.4865  125.956   8.3152 2.397003 8.973087 
1 1 1   -2   28   16 o   76.757   7.2026   66.779   8.4217 -14.80140 14.40520 
1 1 1   -2   28   17 o  255.189   3.1679  658.716   14.696 -3.200180 6.335879 
1 1 1   -2   28   18 o  224.848   5.7447  507.501   25.834      ?      ? 
1 1 1   -2   28   19 o  243.061   5.3689  593.657   26.099      ?      ? 
1 1 1   -2   28   20 o  168.951   6.1474  288.458   20.772      ?      ? 
1 1 1   -2   28   21 f  231.229   3.5404  538.238   15.921 0.1860352 7.080809 
1 1 1   -2   28   22 o  173.053   4.0186  284.441   13.036 26.66763 8.037257 
1 1 1   -2   28   23 o  149.619   4.5799  233.949   12.823 -14.82065 9.159891 
1 1 1   -2   28   24 o  120.744   5.3639  147.633   12.091 0.9440536 10.72784 
1 1 1   -2   28   25 o   46.941   9.8805   26.079   10.224 -15.24237 19.76095 
1 1 1   -2   28   26 o  105.399   5.9571  114.888   10.734 -3.403046 11.91426 
1 1 1   -2   28   27 o  174.477   3.8138  308.505   11.799 -2.278564 7.627673 
1 1 1   -2   28   28 o  125.061   5.2506  143.501   11.175 21.80292 10.50119 
1 1 1   -2   29    1 o  217.872   2.6230  475.164   11.430      ?      ? 
1 1 1   -2   29    4 o  245.360   3.8558  603.414   18.921      ?      ? 
1 1 1   -2   29    5 f  200.457   2.6169  402.373   10.484 5.241730 5.233782 
1 1 1   -2   29    6 o   52.475   7.5031   29.102   7.5957 1.151501 15.00615 
1 1 1   -2   29    7 o  259.641   3.0872  676.766   16.028 -3.027832 6.174373 
1 1 1   -2   29    8 o  265.148   3.1780  692.260   16.697 -35.10422 6.356091 
1 1 1   -2   29    9 o  237.819   3.0954  557.768   14.601 28.08144 6.190808 
1 1 1   -2   29   10 o   64.263   8.1545   43.960   9.9736 -20.88464 16.30908 
1 1 1   -2   29   11 o   47.862   8.8387   23.705   9.9972 -30.59264 17.67735 
1 1 1   -2   29   12 o  166.600   2.9386  290.066   7.0564 -10.39783 5.877247 
1 1 1   -2   29   13 o  153.936   3.2978  241.745   6.7188 -3.742996 6.595607 
1 1 1   -2   29   14 o  150.811   3.3813  215.499   6.7247 10.99176 6.762692 
1 1 1   -2   29   15 o   47.768   15.854   24.996   17.685      ?      ? 
1 1 1   -2   29   16 o  152.226   3.6678  236.004   9.5692 -4.808365 7.335539 
1 1 1   -2   29   17 o  173.048   6.1148  301.040   21.163      ?      ? 
1 1 1   -2   29   18 o  161.645   3.8678  286.602   10.504 -28.73949 7.735658 
1 1 1   -2   29   19 o  180.865   3.5022  333.283   10.760 -4.604858 7.004385 
1 1 1   -2   29   20 o  188.156   6.0827  356.788   22.890      ?      ? 
1 1 1   -2   29   21 o  120.650   5.1085  156.078   10.146 -13.30228 10.21707 
1 1 1   -2   29   22 o  148.110   4.2538  224.883   10.628 -5.043655 8.507543 
1 1 1   -2   29   23 o   87.512   6.7352   75.076   9.9759 6.452118 13.47046 
1 1 1   -2   29   24 o   31.586   9.5198   2.2994   10.211 -1.948273 19.03957 
1 1 1   -2   29   25 o   73.482   8.9763   57.971   10.516 -4.266983 17.95266 
1 1 1   -2   29   26 o   59.448   9.8703   34.883   10.237 11.24787 19.74064 
1 1 1   -2   29   27 o  144.888   4.5255  206.053   10.957 6.968704 9.051008 
1 1 1   -2   30    1 o  286.365   3.1460  820.675   18.018      ?      ? 
1 1 1   -2   30    4 o  166.521   3.1466  277.452   10.480      ?      ? 
1 1 1   -2   30    5 o  217.318   3.7699  472.712   16.385      ?      ? 
1 1 1   -2   30    6 o  292.945   3.2228  858.391   18.862 -11.63361 6.445588 
1 1 1   -2   30    7 f  342.646   3.6341  1180.43   24.899 -7.237946 7.268287 
1 1 1   -2   30    8 o  215.452   2.9988  466.897   12.905 -5.889130 5.997574 
1 1 1   -2   30    9 o  241.372   3.0738  585.331   14.822 -11.17685 6.147516 
1 1 1   -2   30   10 o  155.665   3.4178  239.561   10.515 15.60455 6.835631 
1 1 1   -2   30   11 o  134.211   4.0540  182.248   10.779 -5.579559 8.108004 
1 1 1   -2   30   12 o  151.652   3.9971  232.544   12.059 -3.336563 7.994159 
1 1 1   -2   30   13 o  146.617   4.5732  223.051   13.071 -31.00931 9.146483 
1 1 1   -2   30   14 o  238.292   5.1968  569.238   24.767      ?      ? 
1 1 1   -2   30   15 o  140.855   3.6623  159.566   8.4176 49.12252 7.324522 
1 1 1   -2   30   16 o  137.084   4.1127  203.134   9.1292 -17.94867 8.225481 
1 1 1   -2   30   17 o   29.597   8.9774   2.2456   8.3613 2.600050 17.95485 
1 1 1   -2   30   18 o  146.350   7.0618  216.591   20.670      ?      ? 
1 1 1   -2   30   19 o  109.369   5.4547  127.751   9.3500 -10.51111 10.90937 
1 1 1   -2   30   20 o  206.811   3.3870  425.423   11.979 4.127960 6.773986 
1 1 1   -2   30   21 o  105.816   5.5546  112.183   9.6475 2.042870 11.10917 
1 1 1   -2   30   22 o  178.327   3.8526  317.772   11.338 2.202637 7.705222 
1 1 1   -2   30   23 o   41.445   10.261   17.867   9.8900 -5.700096 20.52249 
1 1 1   -2   30   24 o  109.189   5.8199  122.419   10.268 -2.335831 11.63985 
1 1 1   -2   30   25 o  155.189   4.3543  252.294   11.203 -11.53879 8.708698 
1 1 1   -2   30   26 o   39.623   10.399   13.947   9.5935 4.565170 20.79706 
1 1 1   -2   31    1 o  260.197   2.8928  678.239   15.054      ?      ? 
1 1 1   -2   31    5 o  201.952   3.4450  408.826   13.915      ?      ? 
1 1 1   -2   31    6 o  193.064   2.6256  373.861   10.109 -0.2883148 5.251140 
1 1 1   -2   31    7 o  181.301   2.7467  329.996   9.9492 -4.031586 5.493486 
1 1 1   -2   31    8 o  314.603   3.3988  993.422   21.367 -11.67770 6.797569 
1 1 1   -2   31    9 o  178.578   3.0290  321.425   10.801 -13.07327 6.057983 
1 1 1   -2   31   10 o  228.079   3.2985  522.068   15.023 6.801041 6.597008 
1 1 1   -2   31   11 o  357.443   3.9412  1271.28   28.033 27.23300 7.882485 
1 1 1   -2   31   12 o  517.008   5.2637  2683.02   54.295 23.97672 10.52733 
1 1 1   -2   31   13 o   49.167   8.1487   19.203   11.777 -48.10382 16.29739 
1 1 1   -2   31   14 o  164.625   3.9676  275.554   12.939 -11.88110 7.935157 
1 1 1   -2   31   15 o  169.965   3.9380  290.196   13.315 7.308273 7.876081 
1 1 1   -2   31   16 o  159.518   3.3314  241.057   7.1877 11.91850 6.662754 
1 1 1   -2   31   17 f   37.441   8.8215   15.081   8.0298 -11.79991 17.64298 
1 1 1   -2   31   18 o  137.169   4.7387  207.439   9.5293 -19.35773 9.477410 
1 1 1   -2   31   19 o  215.208   3.4039  472.368   12.357 -6.027878 6.807776 
1 1 1   -2   31   20 o   37.476   10.248   10.105   9.1852 9.284801 20.49516 
1 1 1   -2   31   21 o  143.898   4.4976  220.617   10.443 -13.93695 8.995191 
1 1 1   -2   31   22 o   79.406   7.6622   60.954   9.7210 7.404442 15.32439 
1 1 1   -2   31   23 o   74.607   7.7828   47.276   9.6111 23.42044 15.56564 
1 1 1   -2   31   24 f  122.006   4.8535  143.905   9.6796 8.758293 9.707038 
1 1 1   -2   31   25 o   80.433   6.7885   69.127   9.2069 7.683823 13.57696 
1 1 1   -2   32    5 o   30.159   9.7434   9.0887   6.6855      ?      ? 
1 1 1   -2   32    6 o  197.199   3.6228  389.535   14.288      ?      ? 
1 1 1   -2   32    7 o  252.435   3.0213  636.412   15.231 -15.22902 6.042588 
1 1 1   -2   32    8 f  363.700   3.8296  1324.90   27.824 11.47403 7.659210 
1 1 1   -2   32    9 o  149.680   3.5183  223.756   10.353 38.23293 7.036589 
1 1 1   -2   32   10 o  287.742   3.3121  824.067   18.931 -26.43665 6.624224 
1 1 1   -2   32   11 o   94.292   5.8504   94.073   10.513 -31.14791 11.70075 
1 1 1   -2   32   12 o  101.659   5.5020  107.943   10.891 -18.04913 11.00398 
1 1 1   -2   32   13 o  115.362   4.9642  137.331   11.163 -12.61830 9.928326 
1 1 1   -2   32   14 o  202.612   3.5302  410.104   14.195 9.044388 7.060352 
1 1 1   -2   32   15 o  285.128   3.5800  820.528   20.394 -6.695892 7.159952 
1 1 1   -2   32   16 o  160.994   4.2309  262.380   13.443 -2.311630 8.461722 
1 1 1   -2   32   17 o  205.329   3.8548  425.475   15.679 -0.4019165 7.709640 
1 1 1   -2   32   18 o  194.651   3.4120  383.286   10.783 -2.319977 6.823923 
1 1 1   -2   32   19 o   26.998   8.7316  -4.1407   8.3319 8.722965 17.46314 
1 1 1   -2   32   20 o   97.882   5.9571   95.692   9.0924 2.345192 11.91428 
1 1 1   -2   32   21 o   48.758   10.166   24.889   9.0488 1.462421 20.33215 
1 1 1   -2   32   22 o  193.707   3.6066  385.536   11.700 -8.166000 7.213177 
1 1 1   -2   32   23 o   66.732   9.0544   53.813   8.8402 -16.37427 18.10874 
1 1 1   -2   33    6 f  154.890   3.3247  240.649   10.299      ?      ? 
1 1 1   -2   33    7 o  117.822   4.3154  139.577   10.169      ?      ? 
1 1 1   -2   33    8 o  213.807   2.8957  460.452   12.349 -7.351868 5.791442 
1 1 1   -2   33    9 o   97.038   4.6007   95.756   8.8233 -3.585197 9.201427 
1 1 1   -2   33   10 o  158.803   3.4304  236.933   10.503 56.05823 6.860818 
1 1 1   -2   33   11 o  122.385   3.9944  148.707   9.7009 13.07289 7.988823 
1 1 1   -2   33   12 o  286.589   3.4046  827.602   19.496 -4.808044 6.809231 
1 1 1   -2   33   13 o  186.076   3.5697  351.348   13.091 -7.792084 7.139360 
1 1 1   -2   33   14 o  179.336   3.7489  323.443   13.241 1.898209 7.497829 
1 1 1   -2   33   15 o  205.966   3.6739  429.780   14.938 -6.615829 7.347804 
1 1 1   -2   33   16 o   66.382   9.5864   50.351   12.160 -20.56076 19.17278 
1 1 1   -2   33   17 o  255.415   3.6711  649.907   18.531 20.49712 7.342291 
1 1 1   -2   33   18 o   98.756   6.6253   98.830   12.896 7.558876 13.25054 
1 1 1   -2   33   19 o   59.758   10.692   40.602   12.714 -8.424721 21.38318 
1 1 1   -2   33   20 o  117.114   4.8786  139.964   8.6607 -2.421761 9.757284 
1 1 1   -2   33   21 o   28.038   8.6779   0.2139   8.2847 1.006989 17.35589 
1 1 1   -2   34    6 o  130.039   3.0889  169.419   8.0336      ?      ? 
1 1 1   -2   34    7 o  136.691   3.7020  187.395   10.121      ?      ? 
1 1 1   -2   34    8 o   85.809   5.7710   74.366   9.9041      ?      ? 
1 1 1   -2   34    9 o   79.310   5.4028   64.193   8.4310 0.9162903E-02 10.80560 
1 1 1   -2   34   10 o  117.412   4.2424  140.709   9.8494 -11.36056 8.484771 
1 1 1   -2   34   11 o  194.499   3.2281  379.363   12.453 4.400040 6.456253 
1 1 1   -2   34   12 o  171.025   3.4660  289.747   11.721 18.44165 6.932033 
1 1 1   -2   34   13 o  324.105   3.6945  1051.80   23.773 17.39902 7.389039 
1 1 1   -2   34   14 o  189.962   3.7053  363.997   13.855 0.1231079 7.410665 
1 1 1   -2   34   15 o   53.700   10.345   33.337   11.797 -15.42832 20.69074 
1 1 1   -2   34   16 o  167.606   4.0582  283.916   13.463 -0.8591156 8.116366 
1 1 1   -2   34   17 o  111.934   5.6966  126.380   12.633 8.997269 11.39311 
1 1 1   -2   34   18 o  246.145   3.5835  609.997   17.601 -1.133575 7.166989 
1 1 1   -2   34   19 o  171.144   4.0480  294.283   13.792 8.908569 8.095920 
1 1 1   -2   35    7 f  188.336   3.3831  355.941   12.743      ?      ? 
1 1 1   -2   35    8 o  133.414   4.0388  178.903   10.777      ?      ? 
1 1 1   -2   35    9 o  217.664   3.9683  476.041   17.275      ?      ? 
1 1 1   -2   35   10 o  137.796   3.5687  191.861   9.7327 -2.626450 7.137486 
1 1 1   -2   35   11 o   92.955   5.3369   86.428   9.8077 11.36150 10.67374 
1 1 1   -2   35   12 o   72.996   7.7330   59.532   10.241 -19.17247 15.46595 
1 1 1   -2   35   13 o  111.950   4.8644  128.380   10.613 -5.539772 9.728752 
1 1 1   -2   35   14 f  162.163   3.9542  269.863   12.482 -13.12894 7.908369 
1 1 1   -2   35   15 o  369.413   4.0390  1374.06   29.760 9.422638 8.078027 
1 1 1   -2   35   16 o  179.883   3.7661  326.521   13.468 -3.080292 7.532180 
1 1 1   -2   35   17 o   27.706   9.0203 -10.4669   11.521 1.712557 18.04063 
1 1 1   -2   36    7 o  132.274   3.1300  175.573   8.2804      ?      ? 
1 1 1   -2   36    8 o  169.114   3.5672  287.247   12.065      ?      ? 
1 1 1   -2   36    9 o  144.937   4.0348  211.138   11.696      ?      ? 
1 1 1   -2   36   10 o   69.241   8.0640   48.930   11.167      ?      ? 
1 1 1   -2   36   11 o   75.920   6.4434   59.301   9.4602 -1.190086 12.88680 
1 1 1   -2   36   12 o   66.639   8.1482   47.069   10.105 -3.743370 16.29633 
1 1 1   -2   36   13 o  107.471   4.9540  118.539   10.192 -5.718781 9.908036 
1 1 1   -2   36   14 o   54.867   9.2300   31.520   9.6872 8.878170 18.45995 
1 1 1   -2   36   15 o  211.022   3.3230  454.270   13.758 11.25182 6.645986 
1 1 1   -2   37    8 o  166.035   3.3537  276.474   11.136      ?      ? 
1 1 1   -2   37    9 o  120.097   4.3725  144.943   10.503      ?      ? 
1 1 1   -2   37   10 o  177.002   4.0264  314.743   14.254      ?      ? 
1 1 1   -2   37   11 o  213.351   4.0581  458.232   17.316      ?      ? 
1 1 1   -1    0    4 o  822.052   11.253  6771.20  184.927 -0.000000 0.000000 
1 1 1   -1    0    5 o  203.104   2.1770  412.567   8.8352 -0.000000 0.000000 
1 1 1   -1    0    6 o  123.007   2.0349  151.620   4.9982 -0.000000 0.000000 
1 1 1   -1    0    7 o   13.179   6.2877  -2.4831   4.5633 -0.000000 0.000000 
1 1 1   -1    0    8 o  606.326   5.8942  3680.57   71.446 -0.000000 0.000000 
1 1 1   -1    0    9 o  508.979   4.9795  2592.93   50.663 -0.000000 0.000000 
1 1 1   -1    0   10 o  361.958   3.6711  1311.29   26.563 -0.000000 0.000000 
1 1 1   -1    0   11 o  197.394   2.6925  389.242   10.599 -0.000000 0.000000 
1 1 1   -1    0   12 o   47.047   9.5729   26.934   7.8160 -0.000000 0.000000 
1 1 1   -1    0   13 o  189.419   2.9270  357.623   11.047 -0.000000 0.000000 
1 1 1   -1    0   14 o  275.717   3.1822  761.152   17.537 -0.000000 0.000000 
1 1 1   -1    0   15 o  319.969   3.5236  1025.01   22.532 -0.000000 0.000000 
1 1 1   -1    0   16 o  730.065   7.1499  5341.67  104.331 -0.000000 0.000000 
1 1 1   -1    0   17 f  588.394   5.8406  3467.66   68.700 -0.000000 0.000000 
1 1 1   -1    0   18 o  571.302   5.7087  3268.34   65.192 -0.000000 0.000000 
1 1 1   -1    0   19 o   50.180   13.980   35.275   13.799 -0.000000 0.000000 
1 1 1   -1    0   20 o  358.061   4.1732  1281.22   29.811 -0.000000 0.000000 
1 1 1   -1    0   23 o  227.778   4.7431  521.069   21.471 -0.000000 0.000000 
1 1 1   -1    0   24 o  250.053   4.6518  628.459   23.172 -0.000000 0.000000 
1 1 1   -1    0   25 o  259.552   4.5710  675.843   23.668 -0.000000 0.000000 
1 1 1   -1    0   26 o  209.616   4.9451  441.454   20.624 -0.000000 0.000000 
1 1 1   -1    0   27 f  105.356   10.602  125.960   18.658 -0.000000 0.000000 
1 1 1   -1    0   28 o  412.638   4.7678  1705.89   39.257 -0.000000 0.000000 
1 1 1   -1    0   29 o   28.430   12.974  -1.2120   17.574 -0.000000 0.000000 
1 1 1   -1    0   30 o  104.143   9.1080  119.509   16.808 -0.000000 0.000000 
1 1 1   -1    0   31 o   18.571   9.5243 -35.4141   15.932 -0.000000 0.000000 
1 1 1   -1    0   32 o  136.977   6.0295  192.826   16.141 -0.000000 0.000000 
1 1 1   -1    0   34 o   17.337   8.9653 -40.9088   15.769 -0.000000 0.000000 
1 1 1   -1    0   35 o  249.486   4.3106  627.294   21.309 -0.000000 0.000000 
1 1 1   -1    0   37 o   24.845   16.478  -2.0773   20.676 -0.000000 0.000000 
1 1 1   -1    0   38 o   48.431   15.231   36.268   16.674 -0.000000 0.000000 
1 1 1   -1    0   39 o   68.369   13.947   63.314   16.901 -0.000000 0.000000 
1 1 1   -1    0   40 o   25.184   12.099  -8.0418   17.035 -0.000000 0.000000 
1 1 1   -1    0   41 o   88.266   10.467   84.822   16.926 -0.000000 0.000000 
1 1 1   -1    0   42 f   90.228   9.1779   86.546   15.859 -0.000000 0.000000 
1 1 1   -1    1    4 o  160.961   1.2791  259.082   4.1173 0.8047333 2.558231 
1 1 1   -1    1    5 o  658.744   4.5065  4343.33   59.371 -1.631775 9.012910 
1 1 1   -1    1    6 f  311.804   2.1984  972.315   13.708 -2.482605 4.396756 
1 1 1   -1    1    7 o  257.379   1.9014  662.482   9.7871 -2.329834 3.802765 
1 1 1   -1    1    8 o  232.827   1.8341  541.563   8.5355 -7.378403 3.668196 
1 1 1   -1    1    9 o  247.001   1.9462  607.600   9.5919 -15.31108 3.892493 
1 1 1   -1    1   10 o  944.755   6.4704  8942.59  122.257 -2.684204 12.94077 
1 1 1   -1    1   11 o  412.991   2.9252  1705.37   24.150 -8.677856 5.850445 
1 1 1   -1    1   12 o   79.916   3.4004   63.912   5.4334 -2.639648 6.800773 
1 1 1   -1    1   13 o  437.736   3.1015  1917.78   27.153 -0.4031982 6.202989 
1 1 1   -1    1   14 o  238.226   2.1669  567.745   10.324 0.8843536 4.333745 
1 1 1   -1    1   15 o  316.979   2.4860  1005.25   15.759 -1.519775 4.971920 
1 1 1   -1    1   16 o  458.373   3.3032  2102.11   30.275 -5.650665 6.606455 
1 1 1   -1    1   17 o   84.089   5.0759   71.269   8.4602 -12.76611 10.15173 
1 1 1   -1    1   18 o  237.118   2.5576  562.310   12.127 -3.248856 5.115134 
1 1 1   -1    1   19 o   86.709   5.7304   75.248   9.9320 4.135567 11.46086 
1 1 1   -1    1   21 o  659.143   4.6481  4349.26   61.275 -2.293213 9.296286 
1 1 1   -1    1   22 o  428.121   3.3780  1830.81   28.891 14.72186 6.756089 
1 1 1   -1    1   24 o  467.204   3.5984  2184.30   33.620 4.888184 7.196728 
1 1 1   -1    1   25 f  244.113   3.3113  596.349   16.165 1.787430 6.622640 
1 1 1   -1    1   26 o  152.726   4.4333  233.584   13.539 2.946030 8.866698 
1 1 1   -1    1   27 o  310.153   3.0933  963.001   19.188 -0.1840820 6.186534 
1 1 1   -1    1   28 o  196.112   3.6566  384.798   14.334 -7.862350 7.313250 
1 1 1   -1    1   29 o   78.181   8.0490   62.150   12.509 9.227402 16.09801 
1 1 1   -1    1   30 o  137.284   4.4521  189.225   12.221 3.530350 8.904263 
1 1 1   -1    1   31 o  156.258   3.8415  245.102   12.000 6.379761 7.683003 
1 1 1   -1    1   32 o   53.984   9.9543   31.004   10.984 -11.13622 19.90857 
1 1 1   -1    1   34 o   25.427   8.4508 -16.1081   11.095 -0.3358154 16.90153 
1 1 1   -1    1   35 o  150.406   4.0004  228.185   12.033 -1.914673 8.000731 
1 1 1   -1    1   37 o   85.203   6.7205   74.641   11.415 -9.017395 13.44096 
1 1 1   -1    1   38 o   69.102   9.8935   46.709   13.297 -35.33043 19.78693 
1 1 1   -1    1   39 o   69.058   9.0456   51.449   12.021 0.8303604 18.09120 
1 1 1   -1    1   40 o   82.636   7.4210   70.915   12.260 3.373154 14.84208 
1 1 1   -1    1   41 o  104.842   5.7756  112.447   12.081 -5.626015 11.55120 
1 1 1   -1    1   42 o   56.563   9.6931   36.004   10.876 -6.049057 19.38624 
1 1 1   -1    2    1 o  160.053   2.0505   33.540   1.8630 215.3947 4.101021 
1 1 1   -1    2    3 o  190.117   1.3923  361.462   5.2939 1.220108 2.784612 
1 1 1   -1    2    4 o  566.586   3.8772  3212.24   43.933 -2.813171 7.754323 
1 1 1   -1    2    5 o  409.315   2.8220  1675.42   23.096 5.737457 5.644044 
1 1 1   -1    2    6 o  414.717   2.8675  1720.46   23.784 1.431030 5.735050 
1 1 1   -1    2    7 o  536.463   3.6883  2878.61   39.564 6.654297 7.376623 
1 1 1   -1    2    8 o  133.578   1.7175  178.448   4.5884 0.1331329 3.435020 
1 1 1   -1    2    9 o  576.659   3.9721  3326.25   45.800 -7.845093 7.944165 
1 1 1   -1    2   10 o  632.542   4.3564  4004.77   55.113 -1.004456 8.712881 
1 1 1   -1    2   11 o  129.671   2.1830  168.152   5.6607 2.611389 4.366061 
1 1 1   -1    2   12 o  101.741   2.7621  103.689   5.6094 -7.598663 5.524143 
1 1 1   -1    2   13 o  348.536   2.5752  1215.49   17.951 -0.9517822 5.150493 
1 1 1   -1    2   14 o  228.391   2.1511  521.845   9.8257 -0.2133331 4.302166 
1 1 1   -1    2   15 o  334.096   2.5767  1116.58   17.214 4.030853 5.153329 
1 1 1   -1    2   16 f  271.227   2.4103  735.930   13.075 -1.463257 4.820681 
1 1 1   -1    2   17 o  142.763   3.1393  203.984   8.9612 -2.952728 6.278644 
1 1 1   -1    2   18 o  311.903   2.6755  973.023   16.686 2.470215 5.350935 
1 1 1   -1    2   19 o  262.861   2.7100  690.137   14.236 -12.14764 5.419929 
1 1 1   -1    2   20 o  292.509   2.7956  855.802   16.353 -3.141663 5.591131 
1 1 1   -1    2   22 o  209.774   4.8342  440.315   20.282      ?      ? 
1 1 1   -1    2   23 o  516.086   3.8320  2659.94   39.494 18.73227 7.664048 
1 1 1   -1    2   24 o  223.298   3.4588  498.992   15.446 2.604919 6.917522 
1 1 1   -1    2   25 o  409.979   3.3428  1682.17   27.408 -3.594238 6.685533 
1 1 1   -1    2   26 o  240.601   3.2378  579.430   15.580 3.142746 6.475535 
1 1 1   -1    2   27 o  189.637   3.7045  360.205   14.048 -4.310028 7.408942 
1 1 1   -1    2   28 o  170.639   5.6463  291.745   19.270      ?      ? 
1 1 1   -1    2   29 o  179.968   3.7556  324.611   13.492 -15.02246 7.511124 
1 1 1   -1    2   30 o  253.811   3.0473  645.150   15.465 -4.696960 6.094518 
1 1 1   -1    2   31 o  157.356   3.8369  248.431   12.070 -6.172775 7.673871 
1 1 1   -1    2   32 o   46.721   9.7872   20.394   11.299 26.41229 19.57443 
1 1 1   -1    2   34 o   79.840   7.0039   64.908   11.168 6.066643 14.00780 
1 1 1   -1    2   35 o   55.011   11.106   32.626   12.495 5.973843 22.21113 
1 1 1   -1    2   36 o   79.892   10.210   64.699   16.314      ?      ? 
1 1 1   -1    2   37 o   52.865   10.481   30.774   11.526 1.000992 20.96288 
1 1 1   -1    2   38 o  114.007   7.7260  132.081   17.616      ?      ? 
1 1 1   -1    2   39 o   67.752   10.280   48.754   13.408 -17.49162 20.56055 
1 1 1   -1    2   40 f   37.503   10.596   8.6693   12.218 -6.007458 21.19267 
1 1 1   -1    2   41 o   63.825   9.5456   44.265   11.821 9.703846 19.09130 
1 1 1   -1    2   42 o   55.837   9.2257   35.870   10.751 -24.55754 18.45141 
1 1 1   -1    3    1 o  384.671   3.7410  1465.38   28.544 -29.46329 7.481908 
1 1 1   -1    3    2 f  476.404   4.6185  2270.70   44.006      ?      ? 
1 1 1   -1    3    3 o  164.133   1.7783  269.417   5.8374      ?      ? 
1 1 1   -1    3    4 o  524.484   3.5940  2752.23   37.698 -3.178040 7.188003 
1 1 1   -1    3    5 o  132.384   1.3175  175.160   3.4871 -3.342407 2.634952 
1 1 1   -1    3    6 o  616.453   4.2251  3802.41   52.087 -5.023438 8.450294 
1 1 1   -1    3    7 o  505.981   3.4871  2560.72   35.282 -5.641785 6.974225 
1 1 1   -1    3    8 o  513.133   3.5434  2632.02   36.341 -11.07904 7.086873 
1 1 1   -1    3    9 o  425.228   2.9781  1808.83   25.327 -0.1737671 5.956210 
1 1 1   -1    3   10 o  539.857   3.7366  2915.95   40.338 6.586426 7.473295 
1 1 1   -1    3   11 o  245.954   2.0364  604.964   10.015 2.781433 4.072721 
1 1 1   -1    3   12 o  273.889   2.1782  750.351   11.931 -3.480255 4.356398 
1 1 1   -1    3   13 o  325.317   2.4605  1057.54   15.995 9.503021 4.920946 
1 1 1   -1    3   14 o  121.462   2.7959  147.573   6.7882 5.608383 5.591710 
1 1 1   -1    3   15 o  275.537   2.3358  759.468   12.871 2.274506 4.671561 
1 1 1   -1    3   16 o  389.002   2.9028  1513.88   22.582 3.770416 5.805594 
1 1 1   -1    3   17 o  373.277   2.8686  1393.95   21.415 -4.313782 5.737236 
1 1 1   -1    3   18 o  684.211   4.7672  4686.90   65.235 1.730835 9.534432 
1 1 1   -1    3   19 o   92.122   5.6604   86.205   10.266 -16.41666 11.32079 
1 1 1   -1    3   20 o  434.338   3.2917  1887.13   28.590 4.429871 6.583459 
1 1 1   -1    3   21 o  594.474   4.2395  3535.78   50.387 7.877686 8.478940 
1 1 1   -1    3   22 o  204.487   3.5000  416.668   14.283 13.34561 7.000083 
1 1 1   -1    3   23 o  578.545   4.1880  3345.31   48.400 16.94580 8.376072 
1 1 1   -1    3   24 o  433.378   4.8751  1879.57   42.255      ?      ? 
1 1 1   -1    3   25 o  336.306   3.1190  1131.27   20.973 8.699371 6.237908 
1 1 1   -1    3   26 f  105.311   6.1899  111.423   13.023 -4.725029 12.37990 
1 1 1   -1    3   27 o  373.898   3.1875  1399.41   23.834 -4.914551 6.374981 
1 1 1   -1    3   28 o  130.828   5.0020  171.770   13.019 17.70591 10.00406 
1 1 1   -1    3   29 o  189.181   3.6199  358.819   13.696 0.4990082 7.239751 
1 1 1   -1    3   30 o   45.412   10.878   19.510   11.878 -6.618668 21.75545 
1 1 1   -1    3   31 o   30.076   9.4525  -5.5043   11.441 -0.1281414 18.90507 
1 1 1   -1    3   32 o  224.754   3.1626  506.755   14.212 1.029175 6.325231 
1 1 1   -1    3   34 o  138.005   5.0554  188.517   13.268 8.244537 10.11074 
1 1 1   -1    3   35 o   24.746   8.3291 -19.5358   11.413 4.049120 16.65827 
1 1 1   -1    3   36 o   34.271   14.353   2.7810   16.535      ?      ? 
1 1 1   -1    3   37 o   23.058   7.9254 -27.7993   11.612 3.375072 15.85087 
1 1 1   -1    3   38 o   59.782   10.240   39.731   12.285 -15.02806 20.47964 
1 1 1   -1    3   39 o  103.566   5.9738  109.860   12.349 -4.311554 11.94769 
1 1 1   -1    3   40 f  108.309   6.7262  120.830   14.224 -0.3188858 13.45240 
1 1 1   -1    3   41 o   80.418   7.4911   66.919   12.010 -6.000572 14.98217 
1 1 1   -1    3   42 o  110.440   5.1163  125.564   11.256 -8.435593 10.23261 
1 1 1   -1    4    1 o  397.012   3.8674  1576.84   30.701 -4.584839 7.734794 
1 1 1   -1    4    2 o  716.590   5.9929  5171.01   81.659 -12.99866 11.98588 
1 1 1   -1    4    3 o  811.354   5.5535  6590.25   90.098 -9.918396 11.10694 
1 1 1   -1    4    4 o  509.333   3.4934  2595.23   35.583 -4.390747 6.986876 
1 1 1   -1    4    5 o  375.601   2.6034  1409.38   19.538 10.27689 5.206861 
1 1 1   -1    4    6 o  300.398   2.6135  909.657   14.969 7.943359 5.226946 
1 1 1   -1    4    7 o  293.248   2.1207  859.794   12.435 -3.959991 4.241420 
1 1 1   -1    4    8 o  400.772   2.8079  1603.93   22.479 12.87213 5.615880 
1 1 1   -1    4    9 o  219.528   1.8584  481.995   8.1582 4.779907 3.716717 
1 1 1   -1    4   10 o  342.552   2.4856  1173.21   17.023 6.942017 4.971232 
1 1 1   -1    4   11 o  253.631   2.0723  643.516   10.512 1.219162 4.144692 
1 1 1   -1    4   12 o  219.462   2.0364  481.860   8.9368 1.624603 4.072706 
1 1 1   -1    4   13 o  146.677   2.3016  214.883   6.7419 11.17067 4.603145 
1 1 1   -1    4   14 o  135.833   2.5845  184.632   7.0195 3.806137 5.169054 
1 1 1   -1    4   15 o  374.749   2.7867  1404.39   20.878 7.800049 5.573429 
1 1 1   -1    4   17 o  209.819   2.5347  440.551   10.631 -2.825348 5.069383 
1 1 1   -1    4   18 o  367.866   2.9085  1353.77   21.398 -3.057648 5.817057 
1 1 1   -1    4   19 o  720.599   5.0168  5198.17   72.299 3.252747 10.03357 
1 1 1   -1    4   20 o  485.079   3.5633  2354.20   34.567 -5.813324 7.126524 
1 1 1   -1    4   21 o  375.092   3.1115  1406.99   23.322 3.838898 6.222958 
1 1 1   -1    4   22 o  272.674   4.3397  743.862   23.666      ?      ? 
1 1 1   -1    4   23 o  172.818   4.1438  300.472   14.248 -16.67567 8.287620 
1 1 1   -1    4   25 o  109.375   6.0283  119.930   13.184 2.881905 12.05667 
1 1 1   -1    4   26 o  180.961   3.8823  328.299   14.035 -5.398163 7.764585 
1 1 1   -1    4   27 f  174.640   3.9317  305.994   13.705 -4.674423 7.863411 
1 1 1   -1    4   28 f  248.308   3.1925  617.813   15.838 -12.69542 6.384915 
1 1 1   -1    4   29 o  109.687   5.6873  121.476   12.422 -11.64491 11.37462 
1 1 1   -1    4   30 o  210.316   3.2579  443.382   13.702 -1.023453 6.515729 
1 1 1   -1    4   31 o  114.333   5.0957  131.705   11.652 -0.1745758 10.19130 
1 1 1   -1    4   32 o  192.327   4.0842  370.271   15.089 3.202103 8.168406 
1 1 1   -1    4   34 o  111.994   5.2351  126.694   11.704 0.9741898 10.47024 
1 1 1   -1    4   35 f   19.093   9.6072 -47.2579   16.442      ?      ? 
1 1 1   -1    4   36 f   66.261   9.2216   48.804   11.899 -34.31598 18.44324 
1 1 1   -1    4   37 o  105.460   5.7210  113.326   12.065 -1.917732 11.44207 
1 1 1   -1    4   38 o   22.169   7.7160 -35.7102   12.083 4.849274 15.43203 
1 1 1   -1    4   39 o  150.474   4.2784  228.581   12.860 5.266281 8.556820 
1 1 1   -1    4   40 o   44.730   11.627   19.042   13.640 2.595325 23.25389 
1 1 1   -1    4   41 o   98.308   6.1129   98.571   12.003 -6.595367 12.22578 
1 1 1   -1    4   42 o   40.410   11.523   28.168   14.576 -11.93888 23.04541 
1 1 1   -1    5    1 o  439.285   4.2839  1926.95   37.571 -15.63083 8.567873 
1 1 1   -1    5    2 o  348.024   3.3999  1209.66   23.633 11.36707 6.799854 
1 1 1   -1    5    3 o  440.287   3.0286  1939.08   26.667 -3.354279 6.057239 
1 1 1   -1    5    4 o  517.546   3.5521  2679.63   36.765 3.924683 7.104185 
1 1 1   -1    5    5 o  506.225   3.4803  2561.31   35.209 -11.85849 6.960556 
1 1 1   -1    5    6 o  642.000   4.4024  4124.02   56.523 4.655884 8.804831 
1 1 1   -1    5    7 o  163.234   1.6021  266.136   5.2258 9.543427 3.204228 
1 1 1   -1    5    8 o  340.309   2.4291  1158.21   16.531 -2.986176 4.858165 
1 1 1   -1    5    9 o  519.148   3.5935  2694.85   37.287 -11.02783 7.187014 
1 1 1   -1    5   10 o  296.100   2.2287  876.588   13.191 -4.564758 4.457476 
1 1 1   -1    5   11 o  194.915   1.9303  380.076   7.5242 1.920349 3.860636 
1 1 1   -1    5   12 o  312.613   2.3661  977.756   14.793 -0.5734863 4.732182 
1 1 1   -1    5   13 o  357.079   2.6324  1275.64   18.798 4.931580 5.264852 
1 1 1   -1    5   14 o  177.401   2.2471  314.850   7.9722 2.816147 4.494195 
1 1 1   -1    5   15 o  174.710   2.4559  305.395   8.5805 2.991501 4.911817 
1 1 1   -1    5   16 o  355.368   3.8983  1263.45   27.707      ?      ? 
1 1 1   -1    5   17 o  148.612   3.1225  221.300   9.2599 -3.830566 6.245065 
1 1 1   -1    5   18 o  223.202   2.7040  498.300   12.070 2.271713 5.407968 
1 1 1   -1    5   19 o  423.333   3.2200  1792.88   27.260 1.076782 6.439949 
1 1 1   -1    5   20 o  252.554   2.8679  637.102   14.473 9.323166 5.735754 
1 1 1   -1    5   21 o  224.804   4.4781  505.618   20.134      ?      ? 
1 1 1   -1    5   22 o  350.383   4.4612  1228.27   31.263      ?      ? 
1 1 1   -1    5   23 o  206.190   3.5402  425.666   14.594 -4.118683 7.080394 
1 1 1   -1    5   24 o  354.713   4.4401  1259.04   31.499      ?      ? 
1 1 1   -1    5   25 o  191.096   3.7268  365.623   14.241 -4.301407 7.453542 
1 1 1   -1    5   26 f  480.776   3.6586  2314.31   35.175 -5.302948 7.317123 
1 1 1   -1    5   27 o  211.094   3.4800  446.529   14.675 -2.845306 6.960064 
1 1 1   -1    5   28 o  280.689   3.0888  788.428   17.316 3.052917 6.177676 
1 1 1   -1    5   29 o  130.980   4.7773  173.093   12.456 -8.394791 9.554627 
1 1 1   -1    5   30 o  117.394   6.1461  137.287   13.499 3.709496 12.29216 
1 1 1   -1    5   31 o  290.770   2.9398  847.746   17.084 -1.195435 5.879626 
1 1 1   -1    5   32 o  139.488   6.1838  196.146   17.251      ?      ? 
1 1 1   -1    5   34 o   73.436   8.2808   57.905   11.481 -20.60502 16.56156 
1 1 1   -1    5   36 o   97.611   6.2342   98.868   11.927 -21.26239 12.46845 
1 1 1   -1    5   37 o   22.309   7.7515 -34.3597   11.950 4.145527 15.50306 
1 1 1   -1    5   38 o   77.056   8.1762   63.070   12.011 22.12938 16.35245 
1 1 1   -1    5   39 o   56.714   10.548   35.612   12.117 -1.615845 21.09547 
1 1 1   -1    5   40 o   55.670   10.157   34.917   11.858 -19.29934 20.31485 
1 1 1   -1    5   41 o   98.969   7.0041   98.645   13.378 -5.891403 14.00815 
1 1 1   -1    6    1 f  367.721   3.6017  1352.33   26.480 5.881958 7.203321 
1 1 1   -1    6    2 o  431.799   4.2081  1865.60   36.337 -3.376221 8.416217 
1 1 1   -1    6    3 o  450.430   3.7900  2037.39   32.369 -5.296051 7.579963 
1 1 1   -1    6    5 f  373.990   2.6008  1398.31   19.446 6.438324 5.201644 
1 1 1   -1    6    6 o  311.790   2.2148  971.271   13.801 8.206207 4.429504 
1 1 1   -1    6    7 o  321.105   2.2936  1030.72   14.723 -5.598663 4.587267 
1 1 1   -1    6    8 o  280.195   2.0877  785.232   11.699 1.927856 4.175398 
1 1 1   -1    6    9 o  307.835   2.2691  947.580   13.967 5.854004 4.538274 
1 1 1   -1    6   10 o  245.409   2.0046  602.406   9.8348 -0.6553192 4.009271 
1 1 1   -1    6   11 o  402.325   2.8671  1619.82   23.070 -0.3388672 5.734166 
1 1 1   -1    6   12 o  462.748   3.2548  2143.43   30.123 1.555176 6.509595 
1 1 1   -1    6   13 o  272.132   2.2449  740.289   12.211 -5.991089 4.489754 
1 1 1   -1    6   14 o  352.948   2.6477  1246.43   18.690 0.7681274 5.295348 
1 1 1   -1    6   15 o  474.095   3.3816  2249.36   32.064 -1.405914 6.763250 
1 1 1   -1    6   16 o  147.216   3.6965  219.449   10.097 -4.771469 7.393082 
1 1 1   -1    6   17 o  106.359   4.2373  114.019   8.9486 -11.86779 8.474522 
1 1 1   -1    6   18 o  303.110   2.6987  918.908   16.359 4.613068 5.397463 
1 1 1   -1    6   19 o  434.715   3.2689  1890.35   28.417 -5.176086 6.537827 
1 1 1   -1    6   21 o  626.649   6.3069  3930.86   79.044      ?      ? 
1 1 1   -1    6   23 o  139.930   6.5796  196.090   18.414      ?      ? 
1 1 1   -1    6   24 o   93.872   6.9800   88.783   13.043 -9.497841 13.95993 
1 1 1   -1    6   25 f  211.598   3.4593  448.229   14.639 -1.789246 6.918525 
1 1 1   -1    6   26 o  268.548   3.7692  725.593   19.241 -4.109772 7.538498 
1 1 1   -1    6   27 o  161.704   5.0526  263.429   15.433 -2.306717 10.10522 
1 1 1   -1    6   28 o  221.449   3.3439  490.223   14.794 10.41138 6.687865 
1 1 1   -1    6   29 o  384.022   3.1777  1477.60   24.406 -1.990662 6.355441 
1 1 1   -1    6   30 o   67.265   8.9991   48.240   11.660 -16.71791 17.99829 
1 1 1   -1    6   31 o   92.805   6.3220   87.560   11.663 -5.319717 12.64391 
1 1 1   -1    6   32 o  155.362   5.7350  242.702   17.820      ?      ? 
1 1 1   -1    6   33 o   24.687   8.3399 -25.0734   12.054 -5.594662 16.67971 
1 1 1   -1    6   34 o   58.659   9.8942   38.193   11.585 -15.14896 19.78839 
1 1 1   -1    6   35 o   38.930   15.093   10.271   16.806      ?      ? 
1 1 1   -1    6   36 o  156.074   4.0821  245.951   12.662 -0.5806732 8.164228 
1 1 1   -1    6   37 o   72.053   8.5698   54.686   11.935 -5.548927 17.13952 
1 1 1   -1    6   38 o   79.681   7.9450   68.369   11.954 -16.90146 15.88994 
1 1 1   -1    6   39 f   47.718   10.952   24.022   11.900 2.822552 21.90434 
1 1 1   -1    6   40 o   89.085   6.6559   81.049   11.821 6.784676 13.31184 
1 1 1   -1    6   41 o   98.292   6.9630   99.689   13.094 3.103088 13.92608 
1 1 1   -1    7    1 o  798.568   11.042  6390.99  176.352      ?      ? 
1 1 1   -1    7    2 o  650.942   6.3300  4243.18   82.409 1.023193 12.65997 
1 1 1   -1    7    3 f  357.592   3.0468  1275.91   20.465 2.576202 6.093668 
1 1 1   -1    7    4 o  481.595   3.3181  2320.07   31.958 -3.029053 6.636210 
1 1 1   -1    7    5 o  204.049   2.2622  416.400   9.2319      ?      ? 
1 1 1   -1    7    6 o  308.966   2.2053  954.308   13.622 -5.138000 4.410569 
1 1 1   -1    7    7 f  322.386   2.3087  1039.61   14.886 0.1446533 4.617486 
1 1 1   -1    7    8 o  268.964   2.0345  722.976   10.939 7.764069 4.068969 
1 1 1   -1    7    9 o  232.152   1.9212  538.909   8.9184 6.633881 3.842460 
1 1 1   -1    7   10 o  500.052   3.4796  2502.71   34.795 5.516785 6.959146 
1 1 1   -1    7   11 f  259.260   2.1069  672.366   10.922 -1.096680 4.213819 
1 1 1   -1    7   12 o  638.360   4.4117  4080.79   56.309 9.650330 8.823326 
1 1 1   -1    7   13 o  254.000   2.2012  644.231   11.171 10.56766 4.402470 
1 1 1   -1    7   14 o  243.731   2.2543  593.602   10.982 8.625717 4.508510 
1 1 1   -1    7   15 o  355.862   2.7204  1266.94   19.361 1.445709 5.440778 
1 1 1   -1    7   16 o  476.786   3.4242  2273.86   32.644 7.132965 6.848409 
1 1 1   -1    7   17 o  521.139   3.7125  2717.53   38.693 3.074036 7.425017 
1 1 1   -1    7   18 o  163.337   3.2725  267.353   10.672 -6.408737 6.544949 
1 1 1   -1    7   19 f  124.053   4.1480  154.072   10.279 -0.8804169 8.295900 
1 1 1   -1    7   20 o  170.047   3.5380  289.310   12.029 0.5899506 7.075953 
1 1 1   -1    7   21 o  296.646   4.3103  880.399   25.573      ?      ? 
1 1 1   -1    7   23 o  261.355   3.1040  683.522   16.221 -0.7085876 6.208096 
1 1 1   -1    7   24 o  178.645   3.8761  318.991   13.836 6.896683 7.752282 
1 1 1   -1    7   25 o  196.510   3.6116  386.879   14.183 -3.967682 7.223108 
1 1 1   -1    7   26 o  150.931   4.3878  228.760   13.215 -5.698074 8.775697 
1 1 1   -1    7   27 o  354.289   3.1459  1256.75   22.290 -0.7494812 6.291770 
1 1 1   -1    7   28 o  223.213   3.2799  499.319   14.639 -4.180008 6.559755 
1 1 1   -1    7   29 o  125.737   4.8012  158.790   12.062 0.3370209 9.602481 
1 1 1   -1    7   30 f  137.937   4.3293  191.208   11.933 -0.4567566 8.658523 
1 1 1   -1    7   31 o   47.133   10.457   22.565   11.218 -9.755974 20.91470 
1 1 1   -1    7   32 o  164.046   5.6188  269.807   18.435      ?      ? 
1 1 1   -1    7   33 o  134.935   4.4702  183.753   12.051 3.634735 8.940483 
1 1 1   -1    7   34 o   30.624   9.5784  -5.8422   11.733 7.099987 19.15674 
1 1 1   -1    7   35 o  192.018   4.9403  369.526   18.973      ?      ? 
1 1 1   -1    7   36 o  180.025   5.3755  326.781   19.355      ?      ? 
1 1 1   -1    7   37 o  155.676   4.0809  243.082   12.649 5.436844 8.161832 
1 1 1   -1    7   38 o   42.163   10.882   15.253   11.964 9.226646 21.76473 
1 1 1   -1    7   39 o   40.475   10.851   13.165   11.971 7.245716 21.70170 
1 1 1   -1    7   40 o   29.997   9.5298  -6.5912   11.811 5.129929 19.05952 
1 1 1   -1    7   41 o   74.671   8.1813   59.974   11.567 -18.88391 16.36255 
1 1 1   -1    8    1 o  821.844   11.384  6769.34  187.116      ?      ? 
1 1 1   -1    8    2 o  429.393   4.2007  1844.55   36.069 4.700806 8.401355 
1 1 1   -1    8    3 o  330.622   2.8310  1096.67   17.714 -3.082642 5.661973 
1 1 1   -1    8    4 o  446.740   3.7849  1990.27   31.732 4.191254 7.569839 
1 1 1   -1    8    5 o  680.519   4.6728  4634.62   63.587 -7.700806 9.345660 
1 1 1   -1    8    6 f  570.326   3.9265  3251.58   44.745 -14.80707 7.853044 
1 1 1   -1    8    7 o  120.974   1.8142  146.811   4.3744 5.470428 3.628387 
1 1 1   -1    8    8 o  157.371   1.7719  247.771   5.5746 5.289276 3.543731 
1 1 1   -1    8    9 o  188.025   1.8245  353.245   6.8540 -4.406906 3.648901 
1 1 1   -1    8   10 o  269.182   2.1077  724.879   11.346 -0.1318970 4.215313 
1 1 1   -1    8   11 o  130.986   3.3091  171.659   8.6690      ?      ? 
1 1 1   -1    8   12 o  374.627   2.7225  1403.78   20.393 6.768982 5.444902 
1 1 1   -1    8   13 f  119.138   2.8056  141.989   6.6835 -1.270706 5.611291 
1 1 1   -1    8   14 o  246.453   3.2587  607.602   16.062      ?      ? 
1 1 1   -1    8   15 o  392.690   2.9212  1542.59   22.941 -4.033386 5.842496 
1 1 1   -1    8   16 o  141.743   3.0844  200.590   8.7240 4.152512 6.168770 
1 1 1   -1    8   17 o  214.521   2.7092  460.417   11.620 -1.531708 5.418395 
1 1 1   -1    8   18 o  298.467   2.7193  889.126   16.208 11.71317 5.438579 
1 1 1   -1    8   19 o   94.719   5.5489   90.340   10.247 27.54286 11.09787 
1 1 1   -1    8   22 o  309.975   3.0212  961.579   18.727 -2.466797 6.042431 
1 1 1   -1    8   23 o  233.564   4.5488  545.901   21.249      ?      ? 
1 1 1   -1    8   24 o  141.844   4.6411  201.551   13.156 0.2835693 9.282104 
1 1 1   -1    8   25 o  410.679   3.3058  1688.48   27.152 -0.5850830 6.611581 
1 1 1   -1    8   26 o  354.379   3.1196  1256.94   22.103 3.929688 6.239177 
1 1 1   -1    8   27 o  317.909   3.0717  1010.41   19.515 -16.93872 6.143492 
1 1 1   -1    8   28 o   81.293   7.4996   66.713   12.181 4.811646 14.99911 
1 1 1   -1    8   29 o  290.733   2.9583  846.340   17.188 4.095825 5.916657 
1 1 1   -1    8   30 o  130.995   4.4887  172.766   11.746 -3.593445 8.977309 
1 1 1   -1    8   31 o  233.389   3.0237  546.374   14.110 0.4165039 6.047302 
1 1 1   -1    8   33 o  258.482   2.9505  670.527   15.249 -3.155334 5.901014 
1 1 1   -1    8   34 o   78.112   7.8854   65.654   11.705 -16.98067 15.77076 
1 1 1   -1    8   35 o   95.665   6.5730   92.473   12.487 15.43979 13.14601 
1 1 1   -1    8   36 o  109.606   5.5594  122.626   12.167 -5.055862 11.11874 
1 1 1   -1    8   37 o   83.095   9.8983   70.737   16.450      ?      ? 
1 1 1   -1    8   38 o   92.065   6.5172   86.767   11.976 2.954002 13.03435 
1 1 1   -1    8   39 f  101.653   5.9770  105.504   12.122 5.417412 11.95395 
1 1 1   -1    8   40 o   37.985   10.547   9.9715   11.890 -5.207081 21.09323 
1 1 1   -1    8   41 f   92.411   6.2111   87.756   11.454 -7.369919 12.42226 
1 1 1   -1    9    1 o  422.644   3.5886  1797.56   28.828 -8.002319 7.177239 
1 1 1   -1    9    2 o  228.777   2.3809  522.584   10.879 7.531479 4.761796 
1 1 1   -1    9    3 o  395.610   3.3497  1581.39   25.374 -14.00003 6.699363 
1 1 1   -1    9    4 f  240.932   3.5907  580.688   17.302      ?      ? 
1 1 1   -1    9    5 o  278.251   2.4733  774.857   12.968 -0.3759460 4.946642 
1 1 1   -1    9    6 o  220.996   1.7440  488.349   7.7070 5.069336 3.487983 
1 1 1   -1    9    7 o   63.557   4.1720   40.424   5.3031      ?      ? 
1 1 1   -1    9    8 o  230.883   1.8748  532.552   8.6440 -5.048752 3.749665 
1 1 1   -1    9    9 o  412.986   2.9133  1705.91   24.051 -6.973907 5.826612 
1 1 1   -1    9   10 o  173.724   1.9419  302.199   6.7404 5.951797 3.883702 
1 1 1   -1    9   11 o  424.678   3.0126  1804.94   25.588 -0.3850403 6.025289 
1 1 1   -1    9   12 o  270.814   2.2064  733.562   11.948 -2.344635 4.412726 
1 1 1   -1    9   13 o  123.713   3.9717  153.131   9.8270      ?      ? 
1 1 1   -1    9   14 o  141.997   2.8151  201.699   7.9941 -1.775223 5.630162 
1 1 1   -1    9   15 o  518.686   3.6720  2691.87   38.088 -4.780457 7.344019 
1 1 1   -1    9   16 o  730.539   5.0609  5343.47   73.943 -0.5230713 10.12172 
1 1 1   -1    9   17 o  481.326   3.4951  2317.72   33.643 4.288940 6.990179 
1 1 1   -1    9   18 o  149.584   3.4802  223.927   10.407 -0.9346161 6.960381 
1 1 1   -1    9   19 o  398.650   3.1240  1589.91   24.908 3.090881 6.248092 
1 1 1   -1    9   20 o  325.362   3.0203  1053.00   19.595 25.54654 6.040530 
1 1 1   -1    9   21 o  186.051   5.0340  346.386   18.731      ?      ? 
1 1 1   -1    9   22 o  354.971   3.0637  1260.74   21.749 -5.566437 6.127333 
1 1 1   -1    9   23 o  190.724   3.6018  364.491   13.725 -8.080917 7.203695 
1 1 1   -1    9   24 o  373.936   3.1616  1399.42   23.644 -4.005554 6.323272 
1 1 1   -1    9   25 o  100.849   6.2276  102.144   12.540 -0.2233124E-01 12.45516 
1 1 1   -1    9   26 o   72.753   8.8124   54.570   12.464 -6.692093 17.62480 
1 1 1   -1    9   27 o  208.538   3.4024  435.092   14.176 5.588699 6.804891 
1 1 1   -1    9   28 o  187.263   3.4916  351.688   13.062 -2.320450 6.983181 
1 1 1   -1    9   29 o   32.167   9.7780  -0.8540   11.365 -1.338282 19.55595 
1 1 1   -1    9   30 o   54.307   10.145   31.614   11.223 -5.189148 20.29095 
1 1 1   -1    9   31 o  176.621   4.9602  313.567   17.522      ?      ? 
1 1 1   -1    9   32 o  202.969   4.7362  412.970   19.226      ?      ? 
1 1 1   -1    9   33 o   50.639   10.429   27.427   11.244 -4.855965 20.85813 
1 1 1   -1    9   34 o   21.608   7.5208 -33.5793   11.574 -1.818792 15.04158 
1 1 1   -1    9   35 o   39.840   10.298   11.746   11.850 -15.72925 20.59540 
1 1 1   -1    9   37 o   27.940   9.0315 -10.2151   11.552 -4.279737 18.06290 
1 1 1   -1    9   38 o   69.304   8.6843   50.759   11.783 5.710518 17.36860 
1 1 1   -1    9   39 o   37.147   10.247   8.2808   11.781 -11.30692 20.49491 
1 1 1   -1    9   40 o   87.907   6.6671   79.339   11.689 -3.987267 13.33419 
1 1 1   -1    9   41 o  129.800   6.0659  179.592   15.743 3.652802 12.13176 
1 1 1   -1   10    1 o  356.126   3.0777  1250.03   20.230 13.55215 6.155418 
1 1 1   -1   10    2 o  397.698   3.9164  1583.18   31.150 1.234863 7.832714 
1 1 1   -1   10    3 o  299.187   2.5956  906.166   14.878 -12.87817 5.191288 
1 1 1   -1   10    4 o  381.959   3.2627  1464.50   23.587 -3.682068 6.525348 
1 1 1   -1   10    5 o   94.453   2.4303   86.339   4.1525 7.075317 4.860606 
1 1 1   -1   10    6 o  179.902   2.3070  323.721   8.3008      ?      ? 
1 1 1   -1   10    7 o   64.649   3.1127   41.764   4.0214 -3.008820 6.225304 
1 1 1   -1   10    8 o  257.485   2.0067  662.989   10.329 -2.801483 4.013306 
1 1 1   -1   10    9 o  348.365   2.5191  1213.86   17.545 -4.557434 5.038138 
1 1 1   -1   10   10 o  350.735   2.5590  1230.87   17.950 0.9609375 5.117924 
1 1 1   -1   10   11 o  547.033   3.8063  2995.71   41.642 3.584534 7.612616 
1 1 1   -1   10   12 o  345.253   2.5775  1192.42   17.797 -2.791138 5.155070 
1 1 1   -1   10   13 o   56.644   6.2408   33.017   6.7935 11.76274 12.48168 
1 1 1   -1   10   14 o  212.914   2.3261  453.219   9.9023 6.598450 4.652151 
1 1 1   -1   10   15 o  210.764   2.4888  444.316   10.490 -4.583038 4.977693 
1 1 1   -1   10   16 o  100.862   4.5112  101.842   9.0888 6.580063 9.022367 
1 1 1   -1   10   17 o  469.415   3.4314  2203.43   32.201 9.254211 6.862755 
1 1 1   -1   10   18 f   71.837   7.0892   51.914   10.088 -12.47959 14.17845 
1 1 1   -1   10   20 o  339.474   4.2785  1152.93   29.049      ?      ? 
1 1 1   -1   10   21 o  613.051   4.3685  3762.70   53.555 5.425293 8.736978 
1 1 1   -1   10   22 o  218.282   4.6896  476.815   20.473      ?      ? 
1 1 1   -1   10   23 o  280.734   3.0366  788.178   17.026 3.579346 6.073160 
1 1 1   -1   10   24 o   68.261   9.3577   48.847   12.386 -12.87520 18.71539 
1 1 1   -1   10   25 o   95.882   6.4676   92.476   12.364 -1.203957 12.93521 
1 1 1   -1   10   26 f  135.939   6.9323  185.343   18.847      ?      ? 
1 1 1   -1   10   27 o   27.860   9.1053 -13.5259   11.916 1.331203 18.21050 
1 1 1   -1   10   28 o   97.263   5.9835   94.963   11.609 9.959091 11.96707 
1 1 1   -1   10   29 o  105.676   5.4478  113.348   11.429 -10.13455 10.89563 
1 1 1   -1   10   30 o  124.176   4.6274  154.406   11.464 10.41200 9.254833 
1 1 1   -1   10   32 o  147.723   4.0255  220.192   11.891 0.2351685 8.050954 
1 1 1   -1   10   33 o   68.235   8.4712   48.929   11.238 -7.541695 16.94243 
1 1 1   -1   10   35 o   62.000   9.5430   41.698   11.443 1.095795 19.08603 
1 1 1   -1   10   36 o  165.650   5.4943  276.124   18.203      ?      ? 
1 1 1   -1   10   37 o   62.072   9.3870   42.673   11.658 -27.04593 18.77402 
1 1 1   -1   10   38 o  118.600   5.0794  142.525   12.013 3.536804 10.15874 
1 1 1   -1   10   39 o   50.883   10.666   28.498   11.772 -7.566166 21.33142 
1 1 1   -1   10   40 o  106.970   5.4131  115.796   11.561 5.195572 10.82622 
1 1 1   -1   11    1 o  347.407   3.0062  1200.24   19.500 5.938324 6.012337 
1 1 1   -1   11    2 o  537.990   4.5546  2911.61   46.500 -7.578369 9.109283 
1 1 1   -1   11    3 f  429.655   3.6529  1856.01   29.774 -5.988770 7.305870 
1 1 1   -1   11    4 o  229.864   3.5663  528.667   16.395      ?      ? 
1 1 1   -1   11    5 o   97.838   2.4610   95.628   4.3135 0.3110123 4.922010 
1 1 1   -1   11    6 o  297.451   2.6691  885.233   14.913 0.4718018E-01 5.338149 
1 1 1   -1   11    7 o  269.767   2.0375  727.737   10.990 -3.939453 4.075029 
1 1 1   -1   11    8 o  445.874   3.1193  1989.13   27.808 -5.877716 6.238595 
1 1 1   -1   11    9 o  129.014   2.1913  166.593   5.6479 1.417526 4.382524 
1 1 1   -1   11   10 o  251.047   3.0049  630.469   15.087      ?      ? 
1 1 1   -1   11   11 o  109.058   4.1491  119.008   9.0498      ?      ? 
1 1 1   -1   11   12 o  203.755   3.1244  415.283   12.732      ?      ? 
1 1 1   -1   11   13 o  416.926   3.0207  1739.13   25.188 0.6329956 6.041463 
1 1 1   -1   11   14 o  287.727   2.4549  828.122   14.127 -0.2824402 4.909836 
1 1 1   -1   11   15 o  146.305   3.0666  214.142   8.9731 1.338409 6.133288 
1 1 1   -1   11   16 o  183.725   3.9938  337.672   14.675      ?      ? 
1 1 1   -1   11   17 o  290.325   2.6911  842.777   15.622 -8.252045 5.382191 
1 1 1   -1   11   18 o  270.335   3.9982  731.097   21.617      ?      ? 
1 1 1   -1   11   19 o  663.572   4.6792  4404.68   62.062 -13.70892 9.358340 
1 1 1   -1   11   21 o  384.160   3.1738  1475.47   24.375 -13.56116 6.347671 
1 1 1   -1   11   22 o  392.675   3.2160  1543.19   25.254 -0.4279785 6.432043 
1 1 1   -1   11   23 o  131.629   4.7828  173.159   12.550 4.098618 9.565672 
1 1 1   -1   11   24 o  295.701   3.0162  875.060   17.825 1.771942 6.032362 
1 1 1   -1   11   25 o  327.515   3.0427  1074.08   19.927 -5.494110 6.085405 
1 1 1   -1   11   26 o  274.128   4.3895  752.526   24.066      ?      ? 
1 1 1   -1   11   27 o  109.984   5.5527  124.614   11.914 -22.49534 11.10531 
1 1 1   -1   11   28 o  411.996   3.2511  1701.48   26.788 -1.813019 6.502176 
1 1 1   -1   11   29 o  137.594   4.1385  190.267   11.372 0.2452087E-01 8.277009 
1 1 1   -1   11   30 o   62.960   9.1965   42.085   11.185 6.324108 18.39297 
1 1 1   -1   11   31 o  183.313   5.1889  336.597   19.024      ?      ? 
1 1 1   -1   11   32 o   95.589   5.7787   92.115   11.022 7.317215 11.55740 
1 1 1   -1   11   33 o   44.333   10.638   20.350   11.253 0.7877350 21.27644 
1 1 1   -1   11   34 o   99.312   9.0750   99.673   18.025      ?      ? 
1 1 1   -1   11   35 o   32.465   9.7955   0.0353   11.332 7.566603 19.59104 
1 1 1   -1   11   36 o   76.397   8.3492   61.664   11.740 38.49452 16.69845 
1 1 1   -1   11   37 o   46.623   10.856   22.706   11.717 -0.1984177 21.71249 
1 1 1   -1   11   38 o   30.733   9.5802  -5.9815   11.809 9.868095 19.16040 
1 1 1   -1   11   39 o   65.364   9.1448   46.498   11.597 -9.046993 18.28959 
1 1 1   -1   11   40 o   64.127   9.0087   44.802   11.219 -14.75459 18.01731 
1 1 1   -1   12    1 f  249.367   2.2532  619.093   10.517 3.386490 4.506456 
1 1 1   -1   12    2 o  452.954   3.8598  2056.78   33.005 -1.762817 7.719543 
1 1 1   -1   12    3 o  236.886   2.2075  566.232   9.8646 -6.278122 4.415095 
1 1 1   -1   12    4 o  351.177   3.0552  1225.72   19.988 6.564301 6.110443 
1 1 1   -1   12    5 f  117.926   3.9491  139.166   9.3141      ?      ? 
1 1 1   -1   12    6 o  123.397   2.4283  152.091   5.3658 0.4429092 4.856637 
1 1 1   -1   12    7 o  154.289   2.5175  238.117   7.7686      ?      ? 
1 1 1   -1   12    8 o  101.957   2.4274  103.999   4.9462 -0.1091461 4.854813 
1 1 1   -1   12    9 o  374.924   2.6984  1403.88   20.204 -11.81525 5.396871 
1 1 1   -1   12   10 o  316.543   3.4176  1002.39   21.636      ?      ? 
1 1 1   -1   12   11 o  234.568   2.1383  550.414   10.031 2.036514 4.276534 
1 1 1   -1   12   12 o  155.835   2.4268  243.057   7.5556 2.120468 4.853530 
1 1 1   -1   12   13 o  477.089   3.3943  2276.66   32.380 7.622955 6.788511 
1 1 1   -1   12   14 o  349.531   3.8639  1222.13   27.011      ?      ? 
1 1 1   -1   12   15 o  583.149   4.1006  3401.11   47.802 11.24927 8.201106 
1 1 1   -1   12   16 o  569.709   4.0198  3248.21   45.802 2.622681 8.039617 
1 1 1   -1   12   17 o  269.198   3.8689  724.941   20.830      ?      ? 
1 1 1   -1   12   19 o  397.745   4.4536  1582.81   35.428      ?      ? 
1 1 1   -1   12   20 o   60.829   9.7248   39.041   11.604 -10.95827 19.44967 
1 1 1   -1   12   21 o  363.712   3.0951  1322.19   22.495 9.869934 6.190102 
1 1 1   -1   12   22 o  524.822   3.8397  2757.79   40.302 -3.437622 7.679333 
1 1 1   -1   12   23 o  136.679   4.4682  186.996   12.192 2.256378 8.936472 
1 1 1   -1   12   24 o  196.340   3.4111  386.369   13.381 -4.817337 6.822155 
1 1 1   -1   12   25 o  135.243   6.2660  183.354   16.949      ?      ? 
1 1 1   -1   12   26 o   72.377   8.2525   54.038   11.605 -4.149345 16.50499 
1 1 1   -1   12   27 o  175.061   3.5239  307.737   12.305 -14.77737 7.047804 
1 1 1   -1   12   28 o  246.745   2.9212  610.119   14.416 1.249969 5.842484 
1 1 1   -1   12   29 o  102.724   5.3458  106.786   10.942 -6.420807 10.69167 
1 1 1   -1   12   30 o   19.812   9.8937 -43.4591   16.194      ?      ? 
1 1 1   -1   12   31 o   23.849   8.0637 -27.2716   11.587 -8.006838 16.12750 
1 1 1   -1   12   32 o  169.697   3.5292  289.387   11.960 0.9703369 7.058368 
1 1 1   -1   12   33 o   17.582   8.9472 -60.7529   16.448      ?      ? 
1 1 1   -1   12   34 o  121.398   4.8950  148.882   11.831 4.268448 9.790009 
1 1 1   -1   12   35 o   67.139   8.8371   49.056   11.380 -16.03433 17.67411 
1 1 1   -1   12   36 o   28.349   9.0737  -9.0998   11.439 -6.382059 18.14746 
1 1 1   -1   12   37 o   51.088   10.596   28.018   11.544 9.291264 21.19267 
1 1 1   -1   12   38 f   92.787   6.4649   87.903   11.931 6.737595 12.92981 
1 1 1   -1   12   39 o   92.223   6.3167   87.563   11.518 -5.288109 12.63332 
1 1 1   -1   12   40 o  113.779   4.9018  132.813   11.146 5.839317 9.803623 
1 1 1   -1   13    1 o  224.981   2.1094  501.368   8.8297 5.956879 4.218832 
1 1 1   -1   13    2 o  210.057   3.3631  441.467   14.129      ?      ? 
1 1 1   -1   13    3 o  312.109   2.5859  977.063   13.953 -1.596863 5.171886 
1 1 1   -1   13    4 o  196.981   2.0655  383.524   7.4335 5.696152 4.130985 
1 1 1   -1   13    5 o  252.123   2.3880  636.631   11.227 -0.7742310 4.775971 
1 1 1   -1   13    6 o  199.775   2.2619  406.297   8.3716 -9.631317 4.523774 
1 1 1   -1   13    7 f  508.357   4.3282  2598.04   41.718 -6.534698 8.656412 
1 1 1   -1   13   10 o  439.580   3.1176  1933.03   27.404 -3.906708 6.235240 
1 1 1   -1   13   11 o   89.128   3.6697   80.266   6.4771 11.34959 7.339442 
1 1 1   -1   13   12 o  441.230   3.1636  1947.02   27.910 7.511505 6.327249 
1 1 1   -1   13   13 o  354.919   2.7186  1260.11   19.297 1.497833 5.437153 
1 1 1   -1   13   14 o  564.365   3.9701  3186.73   44.805 6.323242 7.940151 
1 1 1   -1   13   15 o  388.150   2.9397  1507.10   22.820 4.751221 5.879499 
1 1 1   -1   13   16 o  376.292   2.9466  1416.45   22.174 -2.063660 5.893152 
1 1 1   -1   13   19 o  348.606   2.9611  1216.01   20.645 0.5852356 5.922256 
1 1 1   -1   13   20 o  458.770   3.4635  2106.34   31.779 -1.180786 6.926915 
1 1 1   -1   13   22 o  257.033   2.9618  661.130   15.217 0.9525452 5.923517 
1 1 1   -1   13   23 o  138.219   4.3820  190.940   12.096 9.479935 8.763966 
1 1 1   -1   13   24 o  288.599   2.9678  833.852   17.129 -2.429474 5.935621 
1 1 1   -1   13   25 f  199.924   3.3031  400.738   13.195 -6.943542 6.606145 
1 1 1   -1   13   26 o  112.775   5.0634  127.745   11.414 1.811295 10.12670 
1 1 1   -1   13   27 o   62.406   8.9391   41.682   10.927 -25.10883 17.87828 
1 1 1   -1   13   28 o  138.262   4.1038  192.139   11.345 -1.072708 8.207558 
1 1 1   -1   13   29 o  128.078   4.4299  164.768   11.327 10.71071 8.859837 
1 1 1   -1   13   30 o  269.618   4.2751  727.722   23.053      ?      ? 
1 1 1   -1   13   31 o  110.195   5.0273  123.344   11.013 -8.607292 10.05470 
1 1 1   -1   13   34 f  106.233   5.4895  114.263   11.588 4.342354 10.97908 
1 1 1   -1   13   35 o   51.805   10.095   29.388   11.253 -15.71592 20.19095 
1 1 1   -1   13   36 f   65.224   9.0594   46.878   11.376 -17.74321 18.11880 
1 1 1   -1   13   37 f   35.068   10.203   5.0479   11.469 6.175188 20.40639 
1 1 1   -1   13   38 o   57.341   9.4444   37.381   11.486 -29.06068 18.88881 
1 1 1   -1   13   39 o   87.090   6.4904   77.086   11.275 6.636269 12.98076 
1 1 1   -1   14    1 o  463.938   3.9764  2164.68   34.983 -6.697601 7.952866 
1 1 1   -1   14    2 o  316.363   2.7836  997.542   16.499 3.471680 5.567162 
1 1 1   -1   14    3 o  110.619   2.2652  118.713   4.4193 6.973457 4.530487 
1 1 1   -1   14    4 o  428.529   3.6726  1841.54   29.739 -2.495728 7.345129 
1 1 1   -1   14    5 f  399.950   3.4702  1592.61   25.930 5.704132 6.940369 
1 1 1   -1   14    6 o  259.211   2.5394  668.043   12.157 4.100555 5.078833 
1 1 1   -1   14    7 o   96.731   6.1823   93.680   11.960      ?      ? 
1 1 1   -1   14    8 o  310.009   2.8977  956.532   16.743 4.347961 5.795442 
1 1 1   -1   14    9 o  467.647   3.2939  2179.64   30.712 -22.11386 6.587708 
1 1 1   -1   14   10 o  300.087   2.3513  899.731   14.099 -7.694214 4.702587 
1 1 1   -1   14   12 o  657.416   4.5601  4324.58   59.942 -8.680359 9.120101 
1 1 1   -1   14   13 o  652.382   4.5337  4257.75   59.127 -11.31293 9.067410 
1 1 1   -1   14   14 o  329.132   2.6333  1079.91   17.290 -15.18704 5.266527 
1 1 1   -1   14   15 o  193.998   2.7405  376.011   10.626 -8.102249 5.481017 
1 1 1   -1   14   16 o  464.582   3.4316  2157.56   31.866 12.85095 6.863218 
1 1 1   -1   14   17 o  376.529   4.2864  1418.36   32.279      ?      ? 
1 1 1   -1   14   18 o   33.662   8.8066  -8.7306   10.788 -28.36825 17.61324 
1 1 1   -1   14   19 o  518.389   3.7861  2689.66   39.253 2.011353 7.572247 
1 1 1   -1   14   20 o  244.179   2.9417  596.676   14.364 0.8574829 5.883468 
1 1 1   -1   14   21 o  337.924   2.9265  1142.51   19.776 6.421082 5.852965 
1 1 1   -1   14   22 o   42.159   10.407   14.885   11.122 11.79705 20.81353 
1 1 1   -1   14   23 o  346.838   2.9846  1204.04   20.700 3.619232 5.969128 
1 1 1   -1   14   24 o  152.097   5.8118  231.857   17.679      ?      ? 
1 1 1   -1   14   25 o  151.863   3.9206  230.974   11.892 10.92062 7.841229 
1 1 1   -1   14   26 o  138.604   4.1005  193.052   11.351 -5.968887 8.201060 
1 1 1   -1   14   27 o  192.914   3.1899  372.500   12.295 7.498459 6.379808 
1 1 1   -1   14   28 o  111.796   4.9924  126.262   11.123 -4.800110 9.984875 
1 1 1   -1   14   29 o  170.275   3.7785  290.095   12.841 6.937836 7.556972 
1 1 1   -1   14   30 o  135.045   4.3703  183.725   11.775 2.765030 8.740680 
1 1 1   -1   14   31 o  119.484   4.6578  144.645   11.084 -9.845642 9.315565 
1 1 1   -1   14   32 o   45.055   9.9467   14.499   12.268 31.47275 19.89339 
1 1 1   -1   14   33 f   91.640   6.9349   85.469   12.636 7.099808 13.86975 
1 1 1   -1   14   34 o   75.657   7.4884   58.506   11.272 6.898773 14.97687 
1 1 1   -1   14   35 o   36.882   10.163   6.0238   11.479 16.13999 20.32670 
1 1 1   -1   14   36 f   45.034   10.763   20.897   11.555 -2.923332 21.52627 
1 1 1   -1   14   37 o   65.378   9.2025   47.819   11.616 -18.93000 18.40503 
1 1 1   -1   14   38 o   96.123   5.9879   94.802   11.445 -3.411217 11.97572 
1 1 1   -1   14   39 o   78.984   6.9039   64.480   10.860 -2.550224 13.80777 
1 1 1   -1   15    1 o  359.091   5.1196  1290.61   36.768      ?      ? 
1 1 1   -1   15    2 o  261.514   2.4240  675.001   11.724 9.037048 4.847930 
1 1 1   -1   15    3 o  495.851   4.2475  2445.83   39.345 8.585815 8.495019 
1 1 1   -1   15    4 o  239.995   2.2495  554.208   8.7031 15.31702 4.498952 
1 1 1   -1   15    5 o  377.596   3.3112  1429.25   23.529 -2.076569 6.622469 
1 1 1   -1   15    6 o  447.286   3.8766  1987.98   32.315 8.621826 7.753139 
1 1 1   -1   15    7 o  518.718   4.4206  2715.28   43.749 -14.47150 8.841270 
1 1 1   -1   15    8 o  423.460   3.7041  1793.67   29.510 0.4481201 7.408266 
1 1 1   -1   15    9 o  597.013   5.0573  3601.50   57.786 -19.65771 10.11469 
1 1 1   -1   15   10 o  470.923   3.3365  2216.39   31.399 -11.80087 6.673089 
1 1 1   -1   15   11 o  157.341   3.5475  247.631   11.163      ?      ? 
1 1 1   -1   15   12 o  267.838   3.3827  717.570   18.120      ?      ? 
1 1 1   -1   15   13 f  444.740   3.2142  1978.23   28.580 -5.801880 6.428398 
1 1 1   -1   15   14 o  728.096   5.0496  5307.18   73.525 6.636047 10.09918 
1 1 1   -1   15   15 o  700.399   4.8838  4909.76   68.394 -10.27258 9.767678 
1 1 1   -1   15   17 o  328.053   2.8055  1076.85   18.405 4.822479 5.610984 
1 1 1   -1   15   18 o  297.575   3.9052  885.932   23.242      ?      ? 
1 1 1   -1   15   19 o  336.667   2.8949  1134.26   19.491 3.406189 5.789771 
1 1 1   -1   15   20 o  189.185   4.4875  358.231   16.979      ?      ? 
1 1 1   -1   15   21 o   54.636   9.8606   31.335   10.827 -2.624271 19.72118 
1 1 1   -1   15   22 o  297.927   2.8472  887.399   16.953 9.546295 5.694437 
1 1 1   -1   15   23 o  348.179   2.9809  1213.68   20.757 -1.944183 5.961740 
1 1 1   -1   15   24 o  290.812   2.8610  846.877   16.639 -3.602142 5.722009 
1 1 1   -1   15   25 o  244.495   2.8585  598.657   13.977 -3.090500 5.717067 
1 1 1   -1   15   26 o   95.763   5.5968   92.220   10.709 4.118744 11.19352 
1 1 1   -1   15   27 o  221.992   2.9584  494.164   13.131 -1.846619 5.916890 
1 1 1   -1   15   28 o  120.260   4.8747  146.209   11.656 -1.242355 9.749465 
1 1 1   -1   15   30 f  147.132   3.9558  217.771   11.607 -0.1756287E-01 7.911545 
1 1 1   -1   15   31 o   65.968   8.7939   46.863   11.167 -0.8142929 17.58772 
1 1 1   -1   15   33 o  121.960   4.9168  151.436   11.887 -4.267731 9.833679 
1 1 1   -1   15   34 o   79.891   7.2904   65.728   11.526 -6.599945 14.58089 
1 1 1   -1   15   35 o  240.895   3.1139  583.923   14.983 -5.059677 6.227749 
1 1 1   -1   15   36 o  155.435   4.0717  245.493   12.556 -9.018661 8.143340 
1 1 1   -1   15   37 o  126.498   4.7385  162.380   11.918 -1.066292 9.477088 
1 1 1   -1   15   38 o  129.871   4.4276  170.796   11.437 -3.761917 8.855295 
1 1 1   -1   16    1 o  409.674   3.5494  1682.83   27.486 -2.589966 7.098819 
1 1 1   -1   16    2 o  737.450   6.2494  5490.27   87.971 -19.16504 12.49887 
1 1 1   -1   16    3 o  443.940   3.6070  1965.09   27.582 2.992584 7.213984 
1 1 1   -1   16    4 o  305.789   2.7801  940.786   16.015 -5.294128 5.560102 
1 1 1   -1   16    5 o  535.477   4.5781  2853.31   45.862 8.800110 9.156212 
1 1 1   -1   16    6 o  467.141   4.0388  2174.76   35.320 5.464600 8.077642 
1 1 1   -1   16    7 o  461.757   3.9935  2133.27   34.726 0.2329407 7.986945 
1 1 1   -1   16    8 o  143.537   3.1127  209.337   7.9445 -4.988739 6.225400 
1 1 1   -1   16    9 o  244.822   2.7760  594.987   12.494 4.696838 5.551917 
1 1 1   -1   16   10 o  368.481   3.3296  1368.96   23.430 -9.816132 6.659193 
1 1 1   -1   16   11 o  280.027   3.3880  784.373   18.974      ?      ? 
1 1 1   -1   16   12 o  494.607   3.5154  2446.52   34.760 -8.553986 7.030801 
1 1 1   -1   16   14 o  507.851   3.6366  2580.84   36.938 0.8010254 7.273295 
1 1 1   -1   16   15 o  422.202   3.1775  1780.70   26.806 14.98495 6.354980 
1 1 1   -1   16   16 o  512.530   3.6927  2628.28   37.841 -8.323883 7.385318 
1 1 1   -1   16   17 o  390.064   4.3232  1522.40   33.727      ?      ? 
1 1 1   -1   16   18 o  310.396   2.7939  963.113   17.333 -7.670135 5.587866 
1 1 1   -1   16   19 o  363.815   2.9589  1324.57   21.529 3.240814 5.917832 
1 1 1   -1   16   20 o  136.007   4.0053  185.298   10.894 -0.6683197 8.010633 
1 1 1   -1   16   21 o  199.683   3.0571  399.045   12.207 5.083801 6.114135 
1 1 1   -1   16   22 o  345.082   2.9363  1192.01   20.264 1.628815 5.872584 
1 1 1   -1   16   23 f  119.494   4.6127  143.177   11.007 9.129669 9.225379 
1 1 1   -1   16   24 o  129.704   4.1103  168.844   10.658 2.667206 8.220670 
1 1 1   -1   16   25 o  240.189   2.7933  577.769   13.416 -4.999664 5.586562 
1 1 1   -1   16   26 o   67.379   7.6034   46.191   10.235 -1.056000 15.20686 
1 1 1   -1   16   27 o  186.475   3.1768  348.617   11.842 4.339340 6.353635 
1 1 1   -1   16   29 o   23.287   8.0209 -28.5411   11.940 0.5161610 16.04187 
1 1 1   -1   16   30 o   50.037   9.5762   26.573   10.959 -26.03758 19.15231 
1 1 1   -1   16   31 o  146.963   4.1441  218.522   12.091 -16.44460 8.288099 
1 1 1   -1   16   32 o   22.587   7.7388 -28.0429   11.305 -4.191439 15.47759 
1 1 1   -1   16   33 o   37.762   10.251   10.792   11.000 -3.779434 20.50213 
1 1 1   -1   16   34 o   70.968   8.1838   52.709   11.594 1.162491 16.36758 
1 1 1   -1   16   35 o   41.326   10.161   14.181   11.548 -18.68350 20.32184 
1 1 1   -1   16   36 o  116.847   5.1398  139.462   11.897 -2.795921 10.27957 
1 1 1   -1   16   37 o  180.516   3.4518  326.460   12.393 9.404495 6.903515 
1 1 1   -1   16   38 o  108.791   4.9424  119.577   10.720 5.754417 9.884879 
1 1 1   -1   17    1 o  281.611   4.1603  793.388   23.432      ?      ? 
1 1 1   -1   17    2 o  221.895   3.7005  492.540   16.422      ?      ? 
1 1 1   -1   17    3 o  412.476   3.3602  1717.32   24.313 -7.739807 6.720376 
1 1 1   -1   17    4 o  680.297   5.4273  4664.82   64.779 -9.816528 10.85465 
1 1 1   -1   17    5 o  207.334   2.3660  408.002   8.3179 19.70203 4.732034 
1 1 1   -1   17    6 f  324.801   2.9998  1051.05   18.149 3.589203 5.999543 
1 1 1   -1   17    7 f  232.338   2.6306  538.056   11.171 2.001556 5.261277 
1 1 1   -1   17    8 o  218.987   2.5900  488.619   10.719 -13.02771 5.180076 
1 1 1   -1   17    9 o  220.225   4.3872  485.223   19.323      ?      ? 
1 1 1   -1   17   10 o  359.634   3.3323  1279.22   22.274 10.96356 6.664528 
1 1 1   -1   17   11 o  529.451   4.5529  2840.85   46.354 -25.18927 9.105748 
1 1 1   -1   17   13 o  882.737   6.0929  7802.79  107.533 -13.83679 12.18585 
1 1 1   -1   17   14 o  447.972   3.2939  2007.71   29.506 -3.553284 6.587750 
1 1 1   -1   17   15 o  269.739   2.6297  727.103   14.175 -7.481079 5.259334 
1 1 1   -1   17   16 o  531.168   3.8123  2824.06   40.499 -0.3928223 7.624568 
1 1 1   -1   17   17 o  199.851   2.8864  398.951   11.525 -12.46642 5.772722 
1 1 1   -1   17   18 o  178.408   3.0988  318.630   11.052 1.288422 6.197516 
1 1 1   -1   17   19 o  422.918   3.2010  1789.60   27.065 -7.567383 6.401907 
1 1 1   -1   17   20 o  194.076   4.2844  377.066   16.630      ?      ? 
1 1 1   -1   17   21 o  290.438   2.7855  844.322   16.180 -1.896820 5.570961 
1 1 1   -1   17   22 o  184.745   4.4501  341.849   16.443      ?      ? 
1 1 1   -1   17   23 o  192.244   3.0155  370.265   11.593 -3.387604 6.030971 
1 1 1   -1   17   24 o  156.624   3.3880  245.939   10.612 -0.4741058 6.775983 
1 1 1   -1   17   25 f  113.830   4.4990  130.618   10.217 -6.270126 8.998008 
1 1 1   -1   17   26 o  233.268   2.8221  545.400   13.157 0.3707886 5.644129 
1 1 1   -1   17   27 o  236.148   4.1976  558.861   19.825      ?      ? 
1 1 1   -1   17   28 o  115.292   5.2812  136.244   11.964 -12.17001 10.56242 
1 1 1   -1   17   29 o  144.458   3.9210  207.986   11.264 12.86813 7.842087 
1 1 1   -1   17   30 o   51.460   10.186   30.174   10.942 -5.171894 20.37132 
1 1 1   -1   17   31 o  125.590   6.7311  158.865   16.907      ?      ? 
1 1 1   -1   17   32 o   52.112   9.7836   30.461   10.641 -13.72812 19.56728 
1 1 1   -1   17   33 o  121.461   4.6259  148.510   11.204 3.014427 9.251714 
1 1 1   -1   17   34 o  157.865   3.7491  250.450   11.799 4.913040 7.498188 
1 1 1   -1   17   35 o   25.152   8.3789 -16.2283   11.034 -2.258869 16.75777 
1 1 1   -1   17   36 o  136.273   4.3075  185.773   11.670 14.10643 8.615010 
1 1 1   -1   17   37 f  137.622   4.2994  190.486   11.729 3.491989 8.598717 
1 1 1   -1   18    1 o  298.112   2.7288  860.726   14.818 22.41681 5.457652 
1 1 1   -1   18    2 o  642.056   5.4813  4137.74   66.623 -5.048096 10.96251 
1 1 1   -1   18    3 o  254.300   2.4844  634.559   11.506 11.50327 4.968753 
1 1 1   -1   18    4 o  430.441   3.5128  1871.72   26.537 -8.825562 7.025607 
1 1 1   -1   18    5 o  379.029   3.1704  1437.40   20.666 -0.1330872 6.340720 
1 1 1   -1   18    6 o  663.976   5.6103  4459.50   71.484 -24.61371 11.22068 
1 1 1   -1   18    7 o  654.420   5.5568  4301.27   68.951 -6.151306 11.11366 
1 1 1   -1   18    8 o  286.879   2.8614  820.815   15.331 2.395905 5.722735 
1 1 1   -1   18    9 o  279.004   2.9224  792.305   15.491 -16.32806 5.844812 
1 1 1   -1   18   10 o  449.427   4.0014  1995.47   33.311 15.01086 8.002734 
1 1 1   -1   18   11 f  196.940   3.2679  391.037   11.747 -3.775452 6.535841 
1 1 1   -1   18   12 o  413.187   6.2235  1708.89   51.430      ?      ? 
1 1 1   -1   18   13 o  299.726   2.5706  898.370   15.406 -5.474182 5.141256 
1 1 1   -1   18   14 o  371.976   2.8943  1379.35   21.481 -19.14465 5.788558 
1 1 1   -1   18   16 o  414.789   3.1252  1721.82   25.926 3.372864 6.250414 
1 1 1   -1   18   17 o  358.254   2.8584  1284.30   20.477 -1.747833 5.716751 
1 1 1   -1   18   18 o  303.478   2.7043  921.704   16.414 1.074951 5.408599 
1 1 1   -1   18   19 o  267.137   2.6741  714.195   14.285 0.8397827 5.348135 
1 1 1   -1   18   20 o   20.226   7.0363 -30.2119   9.9750 2.898838 14.07259 
1 1 1   -1   18   21 o  188.340   3.0478  355.210   11.478 0.7740021 6.095599 
1 1 1   -1   18   22 o  162.797   3.2569  265.562   10.603 1.154236 6.513725 
1 1 1   -1   18   23 o  172.184   3.1395  297.520   10.796 -7.357605 6.279007 
1 1 1   -1   18   24 o  238.542   2.7349  570.288   13.044 -6.822037 5.469860 
1 1 1   -1   18   25 o   78.708   6.3169   62.501   9.9063 9.624031 12.63382 
1 1 1   -1   18   26 o  123.963   4.4878  154.939   11.101 -0.8284683 8.975658 
1 1 1   -1   18   27 o  235.519   4.3886  555.588   20.672      ?      ? 
1 1 1   -1   18   28 f   98.092   5.2381   96.997   10.264 5.433365 10.47618 
1 1 1   -1   18   29 o  125.074   5.7849  157.900   14.471      ?      ? 
1 1 1   -1   18   31 o   85.154   6.2045   74.174   10.495 -1.254150 12.40904 
1 1 1   -1   18   32 o   99.089   5.4632   98.679   10.767 14.51415 10.92642 
1 1 1   -1   18   33 o   57.828   9.2649   36.346   10.597 18.29828 18.52975 
1 1 1   -1   18   34 o   29.400   9.1102  -5.3865   10.587 10.23115 18.22045 
1 1 1   -1   18   35 o   79.119   7.0054   66.357   10.789 -16.06635 14.01088 
1 1 1   -1   18   36 o   77.281   7.0264   62.646   10.643 -14.49368 14.05283 
1 1 1   -1   18   37 o   26.732   8.6175  -8.6224   10.375 -2.418095 17.23495 
1 1 1   -1   19    1 o  585.123   5.0832  3394.19   55.235 15.14270 10.16644 
1 1 1   -1   19    2 o  429.759   3.7184  1862.59   30.547 -11.72894 7.436853 
1 1 1   -1   19    3 o  471.327   3.8203  2242.34   31.671 -8.791779 7.640604 
1 1 1   -1   19    4 o  494.358   4.0264  2432.40   34.325 5.156921 8.052764 
1 1 1   -1   19    5 o  435.103   3.5720  1899.84   27.031 -2.706390 7.143920 
1 1 1   -1   19    6 o  307.670   2.9207  970.831   17.367 -35.33508 5.841393 
1 1 1   -1   19    7 o  353.144   5.3310  1248.00   37.652      ?      ? 
1 1 1   -1   19    8 o  162.864   3.1186  233.623   9.1243 43.64850 6.237295 
1 1 1   -1   19    9 o  469.357   4.0939  2242.93   37.225 -36.15683 8.187835 
1 1 1   -1   19   10 o  642.136   8.9708  4131.70  115.209      ?      ? 
1 1 1   -1   19   11 o  461.687   4.1076  2129.32   35.557 2.657043 8.215265 
1 1 1   -1   19   12 o  370.090   3.5354  1373.16   24.600 -1.983246 7.070786 
1 1 1   -1   19   13 o  255.708   3.2005  642.562   15.024 11.31567 6.400971 
1 1 1   -1   19   15 o  133.399   4.8962  178.137   13.063      ?      ? 
1 1 1   -1   19   16 o  184.729   2.8395  341.352   10.488 -4.766693 5.679049 
1 1 1   -1   19   17 o  188.918   2.8476  357.139   10.757 5.103302 5.695132 
1 1 1   -1   19   18 o  180.595   2.9243  326.438   10.561 1.807251 5.848596 
1 1 1   -1   19   19 o  289.427   2.6829  837.960   15.524 5.515106 5.365861 
1 1 1   -1   19   20 o   33.583   9.4024   5.3676   9.5937 7.288580 18.80482 
1 1 1   -1   19   21 o  126.430   3.9122  160.327   9.8908 -2.948196 7.824306 
1 1 1   -1   19   22 o  238.527   2.6649  569.819   12.712 -0.3803406 5.329864 
1 1 1   -1   19   23 o   27.063   8.5086  -5.3090   9.3997 -3.605091 17.01715 
1 1 1   -1   19   24 o   74.843   6.4655   56.604   9.6631 5.840675 12.93093 
1 1 1   -1   19   25 o   41.451   10.030   16.700   10.004 1.063293 20.06006 
1 1 1   -1   19   26 o  135.901   5.6554  185.064   15.371      ?      ? 
1 1 1   -1   19   27 o  137.276   3.8637  190.589   10.551 -12.13226 7.727354 
1 1 1   -1   19   28 o   98.328   4.9976   97.689   9.8273 1.042450 9.995105 
1 1 1   -1   19   29 o  165.818   4.6736  275.616   15.499      ?      ? 
1 1 1   -1   19   30 o  192.888   3.0216  375.014   11.624 -13.57292 6.043236 
1 1 1   -1   19   32 o  143.501   3.9316  208.371   11.225 -3.554947 7.863131 
1 1 1   -1   19   33 o   32.351   9.6508   2.5250   10.637 0.5645828 19.30151 
1 1 1   -1   19   34 o   62.837   8.8926   43.533   10.814 -14.76479 17.78529 
1 1 1   -1   19   35 o  108.350   5.0487  117.510   10.859 15.60851 10.09746 
1 1 1   -1   19   36 o  102.163   5.4583  106.201   11.127 6.755165 10.91657 
1 1 1   -1   20    1 o  922.352   9.1759  8525.27  169.268      ?      ? 
1 1 1   -1   20    2 o  405.322   3.5490  1654.62   27.470 -9.132111 7.097966 
1 1 1   -1   20    3 o  784.138   6.2722  6226.85   86.998 -18.86523 12.54441 
1 1 1   -1   20    4 o  450.099   3.7085  2022.68   28.921 1.899292 7.416926 
1 1 1   -1   20    5 o  411.063   3.4117  1724.85   25.007 -18.77039 6.823391 
1 1 1   -1   20    6 o  243.755   4.6044  594.469   22.447      ?      ? 
1 1 1   -1   20    7 o  342.212   3.2649  1017.76   18.076 76.08997 6.529878 
1 1 1   -1   20    8 o  438.935   3.8967  1922.94   32.110 3.393768 7.793463 
1 1 1   -1   20    9 o  662.023   5.6651  4369.41   70.235 9.318359 11.33026 
1 1 1   -1   20   10 o  489.851   4.3021  2397.11   39.542 2.935883 8.604163 
1 1 1   -1   20   11 o  741.208   6.3079  5509.46   88.239 -1.257935 12.61587 
1 1 1   -1   20   12 o  207.777   3.3463  440.927   12.608 -10.41255 6.692551 
1 1 1   -1   20   13 o  175.287   3.6617  310.927   11.508 -4.412369 7.323423 
1 1 1   -1   20   14 o  304.552   3.2732  918.830   18.422 8.033783 6.546370 
1 1 1   -1   20   15 o  270.894   3.5675  734.313   19.328      ?      ? 
1 1 1   -1   20   17 o  131.792   3.6256  173.985   9.5549 -2.996353 7.251236 
1 1 1   -1   20   18 o  205.188   2.7116  421.388   11.127 2.678864 5.423232 
1 1 1   -1   20   19 o   27.582   8.5132  -3.4653   9.0875 -4.681070 17.02642 
1 1 1   -1   20   20 o  149.255   3.2751  223.471   9.7625 -8.946793 6.550180 
1 1 1   -1   20   21 f  114.008   4.0947  130.366   9.3270 7.205956 8.189326 
1 1 1   -1   20   22 o   28.764   8.6739  -1.1791   9.0829 -6.160952 17.34788 
1 1 1   -1   20   23 o  114.169   4.2120  131.278   9.5969 -7.497025 8.424059 
1 1 1   -1   20   24 o  142.699   3.5673  204.651   10.167 -10.19035 7.134582 
1 1 1   -1   20   25 o  177.732   3.1498  316.732   11.180 -7.982483 6.299648 
1 1 1   -1   20   26 o   61.543   7.9944   39.318   9.6018 10.92119 15.98879 
1 1 1   -1   20   27 f  124.186   3.9305  155.406   9.7483 -4.334679 7.861026 
1 1 1   -1   20   28 o   33.394   13.308   6.3350   13.335      ?      ? 
1 1 1   -1   20   29 f   28.458   8.7996  -2.4034   9.5906 -2.895031 17.59930 
1 1 1   -1   20   30 o   57.423   8.7892   35.652   9.7875 2.467415 17.57847 
1 1 1   -1   20   32 o   77.623   6.8625   61.054   10.584 8.343025 13.72495 
1 1 1   -1   20   34 o   63.411   8.6283   41.887   10.662 15.89597 17.25667 
1 1 1   -1   20   35 f   89.441   5.9583   80.477   10.543 7.099525 11.91651 
1 1 1   -1   20   36 o   68.329   7.8328   50.850   10.401 -10.34473 15.66559 
1 1 1   -1   21    2 f  396.204   5.6903  1571.04   45.090      ?      ? 
1 1 1   -1   21    3 o  638.647   5.1510  4098.39   57.551 -4.975830 10.30192 
1 1 1   -1   21    4 o  144.275   2.6127  177.794   6.0161 34.97466 5.225485 
1 1 1   -1   21    5 o  189.840   2.5847  386.885   8.1190 -25.62593 5.169475 
1 1 1   -1   21    6 o  252.516   2.5852  625.756   10.720 8.349579 5.170302 
1 1 1   -1   21    7 o  379.707   3.2424  1474.91   21.798 -18.64087 6.484893 
1 1 1   -1   21    8 o  399.830   3.6067  1617.98   27.521 -15.66446 7.213304 
1 1 1   -1   21    9 o  414.796   6.1628  1722.76   51.126      ?      ? 
1 1 1   -1   21   10 o  352.976   3.3790  1252.75   22.378 -4.845886 6.758044 
1 1 1   -1   21   11 o   95.095   5.6515   92.759   9.2493 -4.496925 11.30297 
1 1 1   -1   21   12 o  437.595   3.9596  1899.05   32.138 10.97583 7.919199 
1 1 1   -1   21   13 f  374.239   3.5712  1398.86   24.879 2.354767 7.142406 
1 1 1   -1   21   14 o  225.973   3.2986  519.521   13.618 -9.280807 6.597169 
1 1 1   -1   21   15 o  345.254   3.4385  1205.18   22.373 -10.29645 6.876928 
1 1 1   -1   21   16 o  182.045   2.7280  331.706   9.9323 0.2111511 5.456054 
1 1 1   -1   21   17 o  192.227   2.6825  369.314   10.304 -10.99411 5.365004 
1 1 1   -1   21   18 o  144.227   3.2022  208.207   9.2244 10.54611 6.404322 
1 1 1   -1   21   19 o  146.660   3.1604  215.542   9.2675 -1.436417 6.320708 
1 1 1   -1   21   20 o  221.370   2.5788  490.742   11.416 -4.574356 5.157604 
1 1 1   -1   21   21 o  229.011   2.5907  525.407   11.865 0.2862549 5.181455 
1 1 1   -1   21   22 o  122.296   3.7582  150.124   9.1891 1.677200 7.516354 
1 1 1   -1   21   23 o  146.785   3.2829  216.225   9.6310 -7.412231 6.565713 
1 1 1   -1   21   24 o  154.833   4.6669  240.041   14.452      ?      ? 
1 1 1   -1   21   25 o  101.061   4.6619  104.051   9.3447 -10.15090 9.323827 
1 1 1   -1   21   26 o  102.076   4.5601  104.993   9.3049 4.012100 9.120145 
1 1 1   -1   21   29 o  149.277   3.5137  223.497   10.455 7.821838 7.027448 
1 1 1   -1   21   30 o  214.292   2.9296  460.738   12.528 0.9944153E-01 5.859158 
1 1 1   -1   21   31 o   58.515   9.0771   37.161   10.300 -0.7142220 18.15422 
1 1 1   -1   21   32 o  106.203   5.2067  116.939   10.813 -14.22752 10.41333 
1 1 1   -1   21   33 o   25.493   8.3503 -14.1550   10.673 -6.347549 16.70057 
1 1 1   -1   21   34 o   63.344   8.6582   42.603   10.473 6.144775 17.31639 
1 1 1   -1   21   35 o   23.849   7.9378 -15.4537   10.024 -3.195000 15.87568 
1 1 1   -1   22    2 o  355.112   3.2081  1246.44   21.234 11.72729 6.416273 
1 1 1   -1   22    3 o  291.802   2.6163  855.477   13.237 -2.560974 5.232531 
1 1 1   -1   22    4 o  248.698   2.5739  601.983   11.480 14.95006 5.147890 
1 1 1   -1   22    5 o  480.138   3.9579  2293.65   32.870 5.559601 7.915738 
1 1 1   -1   22    6 o  112.709   3.8807  101.837   7.8255 62.71015 7.761327 
1 1 1   -1   22    7 o  150.447   3.1658  246.690   6.9130 -19.74582 6.331532 
1 1 1   -1   22    8 o  263.596   2.7591  695.909   11.919 -0.5247498 5.518114 
1 1 1   -1   22    9 o  356.449   3.3809  1268.93   22.455 2.092102 6.761859 
1 1 1   -1   22   10 o  327.207   3.2562  1074.33   19.794 -2.306061 6.512466 
1 1 1   -1   22   11 o  472.206   4.1864  2235.31   37.179 -1.273224 8.372789 
1 1 1   -1   22   12 o  165.557   3.6289  283.365   10.401 -11.05246 7.257721 
1 1 1   -1   22   13 o  118.521   4.7566  137.660   9.8001 5.235847 9.513186 
1 1 1   -1   22   14 o  298.723   3.2847  890.522   18.041 2.400238 6.569311 
1 1 1   -1   22   15 o  245.597   5.5013  604.340   27.022      ?      ? 
1 1 1   -1   22   16 o  180.413   6.2311  326.545   22.483      ?      ? 
1 1 1   -1   22   17 o  240.106   2.4655  577.127   11.838 -4.001541 4.930923 
1 1 1   -1   22   18 o  182.532   2.6448  333.469   9.6526 -5.540573 5.289603 
1 1 1   -1   22   19 o   69.956   5.9442   49.847   8.2051 -12.62410 11.88835 
1 1 1   -1   22   20 o  222.050   2.5413  494.071   11.284 -3.049759 5.082530 
1 1 1   -1   22   21 o  212.027   2.5976  450.538   11.013 -3.267303 5.195217 
1 1 1   -1   22   24 o  200.959   2.7092  405.197   10.887 0.6766052 5.418434 
1 1 1   -1   22   25 f  134.478   3.5170  181.370   9.4213 3.126419 7.033968 
1 1 1   -1   22   27 o  103.081   6.7030  107.031   13.819      ?      ? 
1 1 1   -1   22   28 o   27.924   8.6226  -2.3917   9.2794 -3.882898 17.24530 
1 1 1   -1   22   29 o  300.357   2.8027  902.632   16.786 9.696259 5.605325 
1 1 1   -1   22   30 o   53.930   9.4202   32.387   10.090 -6.560825 18.84034 
1 1 1   -1   22   31 o   83.480   6.3920   73.279   10.351 -12.22723 12.78402 
1 1 1   -1   22   32 o   25.159   8.3130 -12.8194   10.391 0.4345703E-01 16.62597 
1 1 1   -1   22   33 o  116.085   4.6821  136.536   10.708 0.4670105 9.364134 
1 1 1   -1   22   34 o  167.782   3.3893  281.984   11.261 4.994247 6.778551 
1 1 1   -1   23    1 o  602.889   6.1091  3640.06   73.662      ?      ? 
1 1 1   -1   23    2 f  348.298   2.9701  1213.54   20.690      ?      ? 
1 1 1   -1   23    3 o  288.236   2.5991  818.419   12.742 8.337463 5.198175 
1 1 1   -1   23    4 o  246.713   2.4483  619.699   10.411 -8.712143 4.896546 
1 1 1   -1   23    5 o  151.464   2.7613  224.613   6.6295 5.282150 5.522529 
1 1 1   -1   23    6 o  348.433   3.0513  1236.31   18.729 -13.17712 6.102552 
1 1 1   -1   23    7 o  536.599   4.3679  2920.58   41.742 -15.36658 8.735848 
1 1 1   -1   23    8 o  275.187   2.9223  774.620   15.136 -18.96066 5.844607 
1 1 1   -1   23    9 o  301.982   2.9049  914.754   14.619 -1.348358 5.809802 
1 1 1   -1   23   10 o  226.358   3.0586  531.706   12.442 -19.80020 6.117104 
1 1 1   -1   23   11 o  146.734   3.8415  218.507   9.3884 -3.627914 7.682913 
1 1 1   -1   23   12 o  364.873   3.4892  1329.38   23.628 2.677399 6.978337 
1 1 1   -1   23   13 o  227.804   3.2404  543.706   13.406 -27.12808 6.480842 
1 1 1   -1   23   14 o  230.819   3.2034  524.936   13.244 8.210648 6.406711 
1 1 1   -1   23   15 o  129.291   4.5440  170.953   10.021 -4.918495 9.087948 
1 1 1   -1   23   16 o   71.966   8.0583   53.850   9.4906 -3.108368 16.11655 
1 1 1   -1   23   17 f  115.528   5.0717  140.238   9.9480 -10.46798 10.14334 
1 1 1   -1   23   18 o  165.372   2.7338  273.830   9.0392 4.800888 5.467595 
1 1 1   -1   23   19 o   71.158   5.7100   51.559   8.0364 -11.52042 11.41997 
1 1 1   -1   23   20 f  167.838   2.7947  282.550   9.3752 -3.292679 5.589496 
1 1 1   -1   23   21 o   41.067   13.690   16.450   13.186      ?      ? 
1 1 1   -1   23   22 o  100.971   6.8769  102.344   13.887      ?      ? 
1 1 1   -1   23   23 o  177.247   2.8278  315.228   10.018 -0.6762390 5.655698 
1 1 1   -1   23   24 o   28.384   8.5636   0.1358   8.6264 -2.338392 17.12719 
1 1 1   -1   23   26 o  100.618   4.7611  101.574   9.5561 5.735298 9.522273 
1 1 1   -1   23   27 o   95.298   4.8469   91.689   9.2171 8.320435 9.693710 
1 1 1   -1   23   28 o  194.665   4.3369  380.436   16.885      ?      ? 
1 1 1   -1   23   29 f  108.448   4.7323  118.714   10.212 6.635574 9.464617 
1 1 1   -1   23   30 o  115.469   4.5869  134.599   10.508 3.064621 9.173763 
1 1 1   -1   23   31 o   30.705   9.1902   0.5424   10.180 -6.370966 18.38041 
1 1 1   -1   23   32 o  151.682   3.6137  231.178   10.821 2.970123 7.227435 
1 1 1   -1   23   33 o  128.218   4.2414  165.326   10.734 2.562561 8.482787 
1 1 1   -1   24    2 o  315.885   2.7460  998.201   17.349      ?      ? 
1 1 1   -1   24    3 o  323.561   2.7897  1056.97   15.877 -6.159973 5.579398 
1 1 1   -1   24    4 o  209.404   2.3094  444.523   8.1607 -5.232330 4.618810 
1 1 1   -1   24    5 o  448.652   4.5450  2016.88   40.772 -4.249084 9.089955 
1 1 1   -1   24    6 o  419.294   4.3253  1761.75   36.272 0.8201294 8.650661 
1 1 1   -1   24    7 o  218.830   3.3089  479.240   14.477 -7.634277 6.617859 
1 1 1   -1   24    8 o  211.295   3.4224  446.954   14.456 -9.002777 6.844714 
1 1 1   -1   24    9 o  123.707   3.7559  148.043   6.0812 5.470909 7.511718 
1 1 1   -1   24   10 o  308.000   2.9635  955.013   15.307 -3.376190 5.926951 
1 1 1   -1   24   11 o  159.167   3.3888  231.760   9.1573 25.57797 6.777617 
1 1 1   -1   24   12 o  175.090   3.4152  309.877   10.250 -3.211060 6.830303 
1 1 1   -1   24   13 o  280.740   3.1179  800.191   16.167 -10.15216 6.235858 
1 1 1   -1   24   14 o  284.496   3.1352  819.394   16.477 -8.112244 6.270357 
1 1 1   -1   24   15 f  252.674   3.1005  633.047   14.124 5.840302 6.201046 
1 1 1   -1   24   16 o   46.908   9.8687   16.163   8.9626 26.81998 19.73746 
1 1 1   -1   24   17 o  214.186   3.2707  465.619   12.478 -5.964905 6.541312 
1 1 1   -1   24   18 o  182.439   3.5819  337.903   11.343 -4.577927 7.163888 
1 1 1   -1   24   19 o  137.929   4.2844  182.931   10.398 12.56287 8.568786 
1 1 1   -1   24   20 o  132.442   4.7526  175.690   12.589      ?      ? 
1 1 1   -1   24   21 o  243.258   2.5657  590.444   12.454 -21.22809 5.131400 
1 1 1   -1   24   22 o   71.742   5.7344   52.235   8.1824 -9.340981 11.46873 
1 1 1   -1   24   23 o   26.224   8.1085  -3.7556   8.3624 6.887209 16.21696 
1 1 1   -1   24   24 o   34.429   8.3442   5.5866   8.6492 -22.77054 16.68830 
1 1 1   -1   24   25 o  210.011   3.8326  442.383   16.098      ?      ? 
1 1 1   -1   24   26 f   40.553   8.6345   15.544   8.8948 -23.26543 17.26891 
1 1 1   -1   24   27 o  228.814   3.7288  525.066   17.064      ?      ? 
1 1 1   -1   24   28 o   58.961   8.2870   36.911   9.5621 17.88251 16.57396 
1 1 1   -1   24   29 o   50.944   9.4965   27.650   9.8698 12.50324 18.99296 
1 1 1   -1   24   30 o   44.177   10.311   20.228   10.472 2.872902 20.62105 
1 1 1   -1   24   31 o   72.346   7.0645   54.676   10.005 -6.183090 14.12891 
1 1 1   -1   24   32 o  101.782   4.9256  103.644   9.9395 8.637909 9.851113 
1 1 1   -1   24   33 o   64.930   7.9402   44.486   9.8687 18.76719 15.88035 
1 1 1   -1   25    2 o  191.014   2.4764  364.998   9.4605      ?      ? 
1 1 1   -1   25    3 o  160.342   4.1649  257.367   13.356      ?      ? 
1 1 1   -1   25    4 o  322.026   3.4768  1036.69   22.370 13.17267 6.953508 
1 1 1   -1   25    5 f  200.737   3.1289  402.914   12.527 -3.371262 6.257796 
1 1 1   -1   25    6 o  169.014   3.4772  280.715   11.630 -22.01657 6.954313 
1 1 1   -1   25    7 o  420.576   4.3382  1771.96   36.473 -7.195923 8.676367 
1 1 1   -1   25    8 o  189.995   3.5272  359.589   13.363 -19.12367 7.054392 
1 1 1   -1   25    9 o  378.109   4.0605  1433.33   30.706 -0.1100769 8.120902 
1 1 1   -1   25   10 o  132.645   3.6945  184.303   6.2134 -7.944382 7.388947 
1 1 1   -1   25   11 o  134.911   3.5370  132.432   7.8151 68.61858 7.074064 
1 1 1   -1   25   12 o  355.288   3.3737  1279.50   22.612 -12.82336 6.747486 
1 1 1   -1   25   13 o  196.973   3.2010  388.359   10.887 0.2542267 6.402051 
1 1 1   -1   25   14 o  282.268   3.0978  800.909   15.999 -2.328796 6.195538 
1 1 1   -1   25   15 o  284.707   3.1255  802.710   16.078 7.841278 6.251039 
1 1 1   -1   25   16 o  156.692   3.7248  250.219   9.8507 -4.771698 7.449562 
1 1 1   -1   25   17 o   85.977   5.9509   64.495   9.0317 24.73840 11.90180 
1 1 1   -1   25   18 o   32.551   14.729 -10.1217   20.524      ?      ? 
1 1 1   -1   25   19 o  207.312   5.9778  430.744   24.785      ?      ? 
1 1 1   -1   25   20 o  148.766   4.0754  226.332   10.533 -4.788177 8.150707 
1 1 1   -1   25   21 o   44.774   8.5205   21.324   7.9840 11.86613 17.04109 
1 1 1   -1   25   22 o   87.389   4.8447   77.594   8.4414 -7.904381 9.689327 
1 1 1   -1   25   23 o  123.975   5.0643  154.099   12.557      ?      ? 
1 1 1   -1   25   24 o   26.902   8.1739  -1.9077   8.2338 7.289423 16.34780 
1 1 1   -1   25   25 o   57.099   7.6959   34.193   8.5884 10.61337 15.39175 
1 1 1   -1   25   26 o  104.239   6.0343  109.446   12.580      ?      ? 
1 1 1   -1   25   27 o   98.334   4.8105   97.741   9.4340 7.002235 9.620936 
1 1 1   -1   25   28 o   92.112   5.1746   86.310   9.4947 -0.6216812 10.34911 
1 1 1   -1   25   29 o   34.395   9.5437   7.9856   9.5786 4.283730 19.08730 
1 1 1   -1   25   30 o   53.230   9.3122   30.485   9.8430 8.594540 18.62436 
1 1 1   -1   25   31 o  132.538   3.8695  177.284   10.170 -1.709000 7.739034 
1 1 1   -1   25   32 o   66.830   6.8969   46.082   8.9909 3.921440 13.79372 
1 1 1   -1   26    1 o  345.317   5.1514  1194.51   35.577      ?      ? 
1 1 1   -1   26    3 o  267.895   4.3211  718.606   23.152      ?      ? 
1 1 1   -1   26    4 o  218.508   2.9373  477.552   12.820 -4.425644 5.874588 
1 1 1   -1   26    5 o  273.088   4.4708  746.988   24.418      ?      ? 
1 1 1   -1   26    6 o  467.245   4.7279  2187.77   44.108 -15.03946 9.455718 
1 1 1   -1   26    7 o  326.755   3.6025  1070.11   23.533 -3.445587 7.205040 
1 1 1   -1   26    8 o  163.837   3.6218  267.822   11.820 -20.66170 7.243588 
1 1 1   -1   26    9 o  269.315   3.3768  726.745   18.187 -3.801575 6.753678 
1 1 1   -1   26   10 o  304.743   3.5717  930.964   21.768 -3.423279 7.143445 
1 1 1   -1   26   11 o  255.368   3.4530  651.938   17.609 15.59761 6.905929 
1 1 1   -1   26   12 o  183.257   3.0572  341.190   9.5950 -5.102554 6.114366 
1 1 1   -1   26   13 o  274.018   3.0237  762.959   15.223 -9.827820 6.047331 
1 1 1   -1   26   14 o  247.977   3.0009  607.691   13.236 7.445831 6.001896 
1 1 1   -1   26   15 o   73.181   7.2879   53.902   8.1658 1.113693 14.57588 
1 1 1   -1   26   16 o  189.158   3.4895  346.766   11.000 11.60495 6.978939 
1 1 1   -1   26   17 o  509.646   7.4166  2605.92   75.597      ?      ? 
1 1 1   -1   26   18 o   89.033   6.7575   84.543   9.5950 -8.299408 13.51499 
1 1 1   -1   26   19 o  178.689   3.5676  321.067   10.948 -0.6741943 7.135105 
1 1 1   -1   26   20 o  144.816   4.2522  219.409   10.400 -11.28879 8.504341 
1 1 1   -1   26   21 o  188.210   5.8390  359.634   21.979      ?      ? 
1 1 1   -1   26   22 f  465.175   6.7851  2173.50   63.125      ?      ? 
1 1 1   -1   26   23 o   82.413   7.5488   69.029   12.442      ?      ? 
1 1 1   -1   26   24 o   36.045   8.4936   7.4059   8.7267 24.48474 16.98724 
1 1 1   -1   26   25 o  163.963   3.0746  268.745   10.051 8.039612 6.149127 
1 1 1   -1   26   26 o  199.972   2.7413  402.832   10.932 -9.868256 5.482594 
1 1 1   -1   26   27 o   51.273   8.8096   27.985   9.0191 14.29754 17.61919 
1 1 1   -1   26   28 o   70.091   6.5833   50.358   9.1980 8.027359 13.16653 
1 1 1   -1   26   29 o   47.794   9.2719   25.176   9.2506 -8.796841 18.54381 
1 1 1   -1   26   30 o  117.861   4.0968  139.885   9.6107 1.847809 8.193584 
1 1 1   -1   26   31 o   36.206   9.1221   12.245   8.8431 -10.03287 18.24422 
1 1 1   -1   27    2 o  203.959   3.5107  416.498   14.321      ?      ? 
1 1 1   -1   27    3 o  466.833   6.7118  2188.86   62.665      ?      ? 
1 1 1   -1   27    4 o  183.630   2.8104  334.229   10.268 -21.66617 5.620862 
1 1 1   -1   27    5 o   99.885   4.2786   99.722   8.5304 -6.987724 8.557298 
1 1 1   -1   27    6 o  235.439   4.2244  555.309   19.892      ?      ? 
1 1 1   -1   27    7 o  228.168   3.1071  521.885   14.168 2.337036 6.214251 
1 1 1   -1   27    8 o  106.237   4.8323  113.590   10.212 -14.28932 9.664525 
1 1 1   -1   27    9 o  267.693   3.3102  712.253   17.637 24.16075 6.620470 
1 1 1   -1   27   10 o  240.024   3.2977  577.548   15.825 4.230347 6.595318 
1 1 1   -1   27   11 o  177.034   3.6183  314.339   12.802 9.616516 7.236569 
1 1 1   -1   27   12 o   46.729   10.530   21.823   11.310 9.814236 21.05910 
1 1 1   -1   27   13 o  293.496   3.0682  872.284   16.658 -7.728455 6.136326 
1 1 1   -1   27   15 o  293.579   5.3868  863.397   31.629      ?      ? 
1 1 1   -1   27   17 o  246.574   3.1243  609.952   13.885 0.4739380E-01 6.248568 
1 1 1   -1   27   18 o  121.817   4.5748  150.371   9.5692 -1.618675 9.149508 
1 1 1   -1   27   19 o  141.607   7.0675  203.645   20.016      ?      ? 
1 1 1   -1   27   20 o  306.208   5.4246  940.940   33.221      ?      ? 
1 1 1   -1   27   21 o  344.120   3.4236  1169.63   21.736 14.15958 6.847229 
1 1 1   -1   27   22 o   82.293   6.6226   73.213   9.7053 -11.91380 13.24512 
1 1 1   -1   27   23 o  102.604   5.7727  113.051   10.295 -13.28247 11.54548 
1 1 1   -1   27   24 o   42.595   10.607   15.142   10.132 12.75449 21.21435 
1 1 1   -1   27   25 o   94.101   6.9648   89.727   13.108      ?      ? 
1 1 1   -1   27   26 o  153.994   3.1664  239.508   9.6711 -5.099121 6.332858 
1 1 1   -1   27   27 o  115.132   4.1251  136.451   9.3039 -12.99834 8.250275 
1 1 1   -1   27   28 o   58.958   8.1295   37.225   9.1591 0.5387039 16.25897 
1 1 1   -1   27   29 f  135.374   3.6360  184.109   9.7478 1.892227 7.272094 
1 1 1   -1   27   30 o   69.707   6.7940   48.854   9.2780 14.24757 13.58795 
1 1 1   -1   28    2 o  237.230   3.8439  563.753   18.238      ?      ? 
1 1 1   -1   28    3 o  217.570   3.6720  474.125   15.979      ?      ? 
1 1 1   -1   28    4 o  126.160   4.3450  159.534   10.963      ?      ? 
1 1 1   -1   28    5 o  317.904   3.3973  1012.84   21.586 -6.478180 6.794599 
1 1 1   -1   28    6 o  298.427   3.2943  892.565   19.647 -5.607056 6.588560 
1 1 1   -1   28    7 o   90.944   5.0737   82.874   9.1979 -10.11395 10.14743 
1 1 1   -1   28    8 o  127.344   3.9217  161.719   9.9342 -18.55630 7.843394 
1 1 1   -1   28    9 o   89.353   5.6075   81.916   9.7476 -24.58228 11.21494 
1 1 1   -1   28   10 o  161.476   3.5551  261.767   11.479 1.972366 7.110283 
1 1 1   -1   28   11 o  261.459   3.3878  686.816   17.713 3.102753 6.775581 
1 1 1   -1   28   12 o  344.693   3.8692  1165.52   26.321 -45.76053 7.738330 
1 1 1   -1   28   13 o  319.635   3.7040  1018.72   23.607 17.87308 7.407992 
1 1 1   -1   28   14 o  136.525   4.5551  188.468   12.352 -3.709488 9.110295 
1 1 1   -1   28   15 o  127.428   4.0027  169.685   8.0662 -8.592346 8.005455 
1 1 1   -1   28   16 o  232.642   3.0126  534.816   12.312 7.146561 6.025105 
1 1 1   -1   28   17 o   79.140   6.7367   61.872   8.4342 3.374107 13.47340 
1 1 1   -1   28   18 o   24.337   11.987 -41.9657   20.595      ?      ? 
1 1 1   -1   28   19 o  494.730   7.2375  2461.71   71.613      ?      ? 
1 1 1   -1   28   20 f  104.536   8.8212  111.720   18.443      ?      ? 
1 1 1   -1   28   21 o   26.337   8.6631 -10.9423   9.3793 11.71708 17.32617 
1 1 1   -1   28   22 o  182.133   3.6879  332.637   13.434      ?      ? 
1 1 1   -1   28   23 o  155.496   4.1995  260.949   11.229 -22.38113 8.398977 
1 1 1   -1   28   24 o  104.276   5.8924  115.017   10.266 -8.497261 11.78474 
1 1 1   -1   28   25 o   92.592   6.8117   91.686   10.325 -8.297058 13.62339 
1 1 1   -1   28   26 o   72.815   8.3191   50.988   10.328 12.14699 16.63815 
1 1 1   -1   28   27 o  139.262   3.4603  196.536   9.5102 -5.379608 6.920521 
1 1 1   -1   28   28 o   89.394   5.2072   81.192   9.1796 -1.419991 10.41442 
1 1 1   -1   28   29 o  136.788   4.5832  190.094   12.538      ?      ? 
1 1 1   -1   29    3 o  260.048   4.0386  677.867   21.005      ?      ? 
1 1 1   -1   29    4 o  197.769   3.6931  391.918   14.608      ?      ? 
1 1 1   -1   29    5 o  185.033   3.9168  343.186   14.495      ?      ? 
1 1 1   -1   29    6 o  175.958   2.9103  308.966   10.197 -8.869797 5.820649 
1 1 1   -1   29    7 o  239.521   3.0354  575.543   14.524 -2.941284 6.070766 
1 1 1   -1   29    8 o   98.691   4.9341   98.161   9.7299 -1.127106 9.868184 
1 1 1   -1   29    9 o  444.740   4.5338  1977.92   40.232 -19.98611 9.067646 
1 1 1   -1   29   10 o  284.063   3.3803  806.134   19.182 15.22513 6.760605 
1 1 1   -1   29   11 o   27.581   8.8172  -7.5362   10.365 -0.5260773 17.63441 
1 1 1   -1   29   12 f   85.879   6.3495   75.440   10.865 -9.336761 12.69900 
1 1 1   -1   29   13 o  124.514   4.8715  156.423   12.113 0.3717346 9.743046 
1 1 1   -1   29   14 o   59.144   10.119   38.048   11.866 -5.928291 20.23870 
1 1 1   -1   29   15 o  160.689   4.1832  260.757   13.444 -0.6409607 8.366412 
1 1 1   -1   29   16 o  111.396   5.0215  140.177   8.3563 -21.22784 10.04300 
1 1 1   -1   29   17 o  278.836   5.4348  779.781   30.308      ?      ? 
1 1 1   -1   29   19 o  101.829   5.4832  103.730   8.9162 1.887131 10.96644 
1 1 1   -1   29   20 o   91.394   7.4815  104.850   9.4691 -32.96603 14.96294 
1 1 1   -1   29   21 o  166.986   3.8686  286.193   11.072 -6.901611 7.737273 
1 1 1   -1   29   22 f  219.800   3.3725  483.056   13.002 2.391068 6.744910 
1 1 1   -1   29   23 f   59.750   9.5818   41.383   9.8109 -11.91168 19.16356 
1 1 1   -1   29   24 o   41.447   10.788   13.636   9.9547 12.34715 21.57648 
1 1 1   -1   29   25 f   91.521   6.8768   82.952   10.452 5.062164 13.75367 
1 1 1   -1   29   26 o   90.990   6.7151   83.067   10.409 3.009109 13.43014 
1 1 1   -1   29   27 o  152.554   4.4239  226.375   11.249 9.445679 8.847725 
1 1 1   -1   30    3 o  461.027   6.9206  2134.10   63.812      ?      ? 
1 1 1   -1   30    4 o  251.476   4.1363  633.130   20.803      ?      ? 
1 1 1   -1   30    5 o  178.900   3.9337  320.341   14.075      ?      ? 
1 1 1   -1   30    6 o  257.570   3.0337  652.041   15.472 34.48735 6.067385 
1 1 1   -1   30    7 o  274.092   3.1547  753.021   17.290 0.6682129 6.309485 
1 1 1   -1   30    8 o  385.057   4.0206  1493.91   30.943 -9.062744 8.041102 
1 1 1   -1   30    9 f  216.767   3.1061  471.970   13.460 -8.634613 6.212120 
1 1 1   -1   30   10 o   44.384   9.2779   19.643   9.5627 -19.50555 18.55584 
1 1 1   -1   30   11 o   62.121   8.5430   40.532   10.390 -10.80465 17.08595 
1 1 1   -1   30   12 o  182.146   3.6452  333.682   13.279 -1.851028 7.290416 
1 1 1   -1   30   13 o   30.967   9.6362  -2.6090   11.810 -4.286314 19.27234 
1 1 1   -1   30   14 o  138.917   5.0217  201.447   13.180 -53.71317 10.04337 
1 1 1   -1   30   15 o  367.764   4.0740  1304.38   29.189 62.30515 8.147999 
1 1 1   -1   30   16 o   76.175   8.6872   63.009   12.531 -20.17957 17.37437 
1 1 1   -1   30   17 o  110.752   4.7251  118.388   7.9697 7.256577 9.450270 
1 1 1   -1   30   18 f   32.670   9.5348   5.2212   8.0713 8.662189 19.06965 
1 1 1   -1   30   19 o   70.121   14.976   53.219   20.386      ?      ? 
1 1 1   -1   30   20 o   49.756   10.273   21.450   8.9537 19.00899 20.54603 
1 1 1   -1   30   21 o  132.448   4.7154  186.277   9.9621 -11.94129 9.430709 
1 1 1   -1   30   22 o  107.793   5.7744  123.367   9.8357 -8.740211 11.54881 
1 1 1   -1   30   23 o  181.064   3.9114  346.267   11.839 -16.40219 7.822699 
1 1 1   -1   30   24 f  127.668   4.7262  144.016   10.162 29.57676 9.452366 
1 1 1   -1   30   25 o  175.928   3.9265  316.880   11.612 -5.864883 7.853029 
1 1 1   -1   30   26 f  109.872   5.8625  130.855   10.450 -13.55978 11.72493 
1 1 1   -1   31    4 o  158.058   3.3870  250.395   10.707      ?      ? 
1 1 1   -1   31    5 o  193.772   3.6415  376.433   14.112      ?      ? 
1 1 1   -1   31    6 o  237.292   4.0315  564.928   19.133      ?      ? 
1 1 1   -1   31    7 o  327.803   3.4951  1080.08   22.914 -0.7975464 6.990240 
1 1 1   -1   31    8 o  230.436   2.9910  529.233   13.725 -16.91075 5.982037 
1 1 1   -1   31    9 o  146.338   3.4573  215.552   10.118 1.034470 6.914518 
1 1 1   -1   31   11 o   67.948   8.5182   51.229   11.349 -57.13993 17.03646 
1 1 1   -1   31   12 o  290.346   3.5976  822.221   20.558 43.93484 7.195174 
1 1 1   -1   31   13 o  175.762   3.9118  309.490   13.671 7.841919 7.823661 
1 1 1   -1   31   14 o   70.355   8.7044   53.556   11.702 -14.11126 17.40890 
1 1 1   -1   31   15 o   61.351   10.188   41.430   12.295 3.320721 20.37613 
1 1 1   -1   31   16 o  136.820   5.0248  189.720   13.698 -1.923523 10.04962 
1 1 1   -1   31   17 o   73.729   9.4168   56.497   13.415 22.68024 18.83364 
1 1 1   -1   31   18 o   72.832   7.6704   49.442   7.9415 10.16162 15.34083 
1 1 1   -1   31   19 o  146.769   4.2709  230.086   9.5103 -14.16214 8.541776 
1 1 1   -1   31   20 o  268.185   3.2464  723.692   15.504 -0.6370544 6.492793 
1 1 1   -1   31   21 f  167.571   3.7699  278.486   10.535 4.485336 7.539742 
1 1 1   -1   31   22 o  159.925   4.1658  255.923   10.673 1.756897 8.331653 
1 1 1   -1   31   23 o  109.961   5.7828  123.245   9.7609 -1.117439 11.56570 
1 1 1   -1   31   24 o  122.444   5.0370  153.650   9.8594 -3.380722 10.07404 
1 1 1   -1   31   25 o   55.072   9.5026   35.583   9.0301 -9.532955 19.00512 
1 1 1   -1   32    4 o   67.790   4.5677   46.343   6.1929      ?      ? 
1 1 1   -1   32    5 o  129.021   3.9289  167.661   10.138      ?      ? 
1 1 1   -1   32    6 o  297.850   4.6153  891.803   27.493      ?      ? 
1 1 1   -1   32    7 o  202.547   4.3222  411.157   17.509      ?      ? 
1 1 1   -1   32    8 o  226.301   3.0309  509.755   13.623 -11.40950 6.061843 
1 1 1   -1   32    9 o  211.887   3.0797  443.800   12.928 -20.90567 6.159323 
1 1 1   -1   32   10 o  135.681   4.2560  186.955   11.450 20.28296 8.511953 
1 1 1   -1   32   11 o  162.847   3.7226  266.598   12.109 -9.416672 7.445120 
1 1 1   -1   32   12 f  108.302   5.0553  119.180   10.918 10.71486 10.11070 
1 1 1   -1   32   13 f  146.537   4.1998  218.474   12.211 -17.57509 8.399647 
1 1 1   -1   32   14 o  258.608   3.4812  671.991   17.999 -9.450806 6.962413 
1 1 1   -1   32   15 o  135.786   6.7963  186.522   18.457      ?      ? 
1 1 1   -1   32   16 o  206.126   5.6116  429.381   23.134      ?      ? 
1 1 1   -1   32   17 o  126.969   5.6045  163.964   14.132 0.5686188 11.20907 
1 1 1   -1   32   18 o  286.005   3.8538  825.404   22.007 0.1384277 7.707665 
1 1 1   -1   32   19 o   30.557   9.3699  -1.5534   7.5927 19.22663 18.73984 
1 1 1   -1   32   20 o   87.957   7.4721   94.959   8.4974 -24.89523 14.94424 
1 1 1   -1   32   21 o   51.289   9.9177   21.657   8.4849 22.57621 19.83541 
1 1 1   -1   32   22 o  153.450   4.1823  244.677   10.107 -8.390488 8.364598 
1 1 1   -1   32   23 o  116.673   4.9689  131.307   9.5003 9.187981 9.937811 
1 1 1   -1   33    5 o  336.488   5.0423  1140.27   33.933      ?      ? 
1 1 1   -1   33    6 o  138.487   4.1992  192.762   11.631      ?      ? 
1 1 1   -1   33    7 o   96.026   5.7290   93.057   11.003      ?      ? 
1 1 1   -1   33    8 f  143.602   3.3518  207.861   9.6127 -4.443954 6.703524 
1 1 1   -1   33    9 o  116.416   4.0850  136.918   9.5100 -0.6706390 8.169964 
1 1 1   -1   33   10 o   81.660   6.1923   69.622   9.6904 -28.00755 12.38458 
1 1 1   -1   33   11 o  258.950   3.2413  671.022   16.753 14.26816 6.482592 
1 1 1   -1   33   12 o  188.404   3.3988  356.596   12.791 2.715027 6.797607 
1 1 1   -1   33   13 o   43.323   9.2218   16.823   10.828 -29.01283 18.44358 
1 1 1   -1   33   14 o   77.319   7.5788   61.819   11.635 -2.109184 15.15769 
1 1 1   -1   33   15 o  120.851   5.2373  148.176   12.587 2.431351 10.47453 
1 1 1   -1   33   16 o   82.214   7.8642   69.198   12.772 18.22059 15.72839 
1 1 1   -1   33   17 o  231.342   3.7718  538.622   17.383 7.537415 7.543670 
1 1 1   -1   33   18 o   45.025   11.348   18.111   13.160 14.19977 22.69560 
1 1 1   -1   33   19 o  116.197   5.9441  137.567   13.709 3.096954 11.88811 
1 1 1   -1   33   20 o  196.538   4.0930  390.283   16.054 -4.728134 8.186083 
1 1 1   -1   33   21 o   74.774   7.5648   58.505   7.7939 -2.807114 15.12968 
1 1 1   -1   33   22 o   90.872   5.7867   81.398   8.8090 16.55213 11.57343 
1 1 1   -1   34    5 o  127.062   3.1127  161.827   7.9101      ?      ? 
1 1 1   -1   34    6 o  244.353   3.9056  599.006   19.087      ?      ? 
1 1 1   -1   34    7 o  179.099   3.7593  321.657   13.466      ?      ? 
1 1 1   -1   34    8 o  155.719   4.1486  243.452   12.920      ?      ? 
1 1 1   -1   34    9 o  196.590   3.1068  388.253   12.200 7.859924 6.213628 
1 1 1   -1   34   10 o  139.419   3.7683  195.772   10.492 10.38060 7.536663 
1 1 1   -1   34   11 o   91.621   5.4181   84.727   9.8926 10.25124 10.83615 
1 1 1   -1   34   12 o  140.555   3.9891  199.096   11.184 3.576569 7.978147 
1 1 1   -1   34   13 o  205.076   3.4589  423.682   14.160 -0.4403992 6.917793 
1 1 1   -1   34   14 o  103.392   5.7120  109.624   11.751 -7.765785 11.42408 
1 1 1   -1   34   15 o   80.128   7.7392   67.961   12.186 -11.20274 15.47845 
1 1 1   -1   34   16 o   64.487   9.9032   45.974   12.586 -13.41657 19.80644 
1 1 1   -1   34   17 o  150.796   4.6580  231.105   13.938 -2.955490 9.315913 
1 1 1   -1   34   18 o  111.893   5.8655  128.165   13.010 -5.700104 11.73105 
1 1 1   -1   34   19 o  105.044   6.1791  113.698   12.846 -15.00278 12.35811 
1 1 1   -1   34   20 o   53.852   10.658   36.541   11.916 -2.934738 21.31621 
1 1 1   -1   35    6 o   70.933   5.1085   50.672   7.2471      ?      ? 
1 1 1   -1   35    7 o  100.254   4.8977  101.191   9.8203      ?      ? 
1 1 1   -1   35    8 o  233.604   4.0829  548.533   19.076      ?      ? 
1 1 1   -1   35    9 o  230.777   4.1861  535.468   19.321      ?      ? 
1 1 1   -1   35   10 o  131.192   5.3642  173.620   14.075      ?      ? 
1 1 1   -1   35   11 o   59.400   8.7579   37.764   10.040 9.404316 17.51587 
1 1 1   -1   35   12 o  204.760   3.4262  422.964   13.960 -1.141769 6.852472 
1 1 1   -1   35   13 o   58.583   9.2507   34.827   11.013 29.26391 18.50136 
1 1 1   -1   35   14 o  194.419   3.6344  379.047   14.005 7.530350 7.268795 
1 1 1   -1   35   15 o  122.782   5.0779  152.072   12.374 6.173424 10.15572 
1 1 1   -1   35   16 o  251.116   3.5726  634.626   17.928 0.5130615 7.145154 
1 1 1   -1   35   17 o   53.012   10.969   31.084   12.495 -7.598766 21.93744 
1 1 1   -1   35   18 o  102.275   6.2602  133.579   12.717 -13.26578 12.52043 
1 1 1   -1   36    6 o  248.573   3.9895  621.078   19.834      ?      ? 
1 1 1   -1   36    7 f  172.221   3.5410  297.884   12.197      ?      ? 
1 1 1   -1   36    8 o  200.125   3.8370  402.602   15.358      ?      ? 
1 1 1   -1   36    9 o  136.826   4.5565  188.503   12.469      ?      ? 
1 1 1   -1   36   10 o   81.115   7.3903   66.903   11.989      ?      ? 
1 1 1   -1   36   11 o   75.171   8.5330   57.850   12.829      ?      ? 
1 1 1   -1   36   12 o   99.988   5.5331  102.228   10.798 -2.602760 11.06610 
1 1 1   -1   36   13 o  254.960   3.3449  648.669   16.918 14.64609 6.689772 
1 1 1   -1   36   14 o   92.017   6.0118   84.714   10.884 9.306786 12.02367 
1 1 1   -1   36   15 o  115.719   5.0342  139.620   11.363 -10.67318 10.06848 
1 1 1   -1   37    7 o  148.550   3.3119  221.428   9.8397      ?      ? 
1 1 1   -1   37    8 o  165.915   3.7406  276.336   12.412      ?      ? 
1 1 1   -1   37    9 o  232.905   4.0394  544.697   18.816      ?      ? 
1 1 1   -1   37   10 o  300.367   4.6667  907.424   28.034      ?      ? 
1 1 1   -1   37   11 o  200.999   4.0371  406.100   16.229      ?      ? 
1 1 1   -1   37   12 o   87.643   6.6068   79.401   11.581      ?      ? 
1 1 1   -1   38    8 o  156.867   3.7815  265.932   11.864      ?      ? 
1 1 1    0    0    5 o   73.269   2.1389   53.911   3.1208 -0.000000 0.000000 
1 1 1    0    0    6 o  324.533   3.2113  1054.02   20.834 -0.000000 0.000000 
1 1 1    0    0    7 o   11.417   5.5795  -4.2720   4.1079 -0.000000 0.000000 
1 1 1    0    0    8 o  795.529   7.7072  6336.77  122.543 -0.000000 0.000000 
1 1 1    0    0    9 o  452.418   4.4474  2047.80   40.210 -0.000000 0.000000 
1 1 1    0    0   11 o  171.450   2.6625  294.458   9.1190 -0.000000 0.000000 
1 1 1    0    0   12 o  562.721   5.5198  3170.43   62.069 -0.000000 0.000000 
1 1 1    0    0   13 o  200.540   2.8733  402.497   11.507 -0.000000 0.000000 
1 1 1    0    0   14 o  104.636   4.3072  110.840   8.9317 -0.000000 0.000000 
1 1 1    0    0   15 o  331.106   3.6068  1096.38   23.851 -0.000000 0.000000 
1 1 1    0    0   16 f  409.295   4.2371  1677.41   34.668 -0.000000 0.000000 
1 1 1    0    0   17 o  152.522   4.0827  233.426   12.390 -0.000000 0.000000 
1 1 1    0    0   18 o  472.814   4.8446  2236.57   45.762 -0.000000 0.000000 
1 1 1    0    0   19 o  525.704   5.3312  2767.18   56.027 -0.000000 0.000000 
1 1 1    0    0   20 o  157.592   5.1165  249.656   16.023 -0.000000 0.000000 
1 1 1    0    0   21 o  152.457   5.5810  236.672   16.751 -0.000000 0.000000 
1 1 1    0    0   22 o  109.999   8.3345  126.159   17.815 -0.000000 0.000000 
1 1 1    0    0   23 o  278.238   4.3342  775.601   24.074 -0.000000 0.000000 
1 1 1    0    0   24 o  236.290   4.6412  560.383   21.880 -0.000000 0.000000 
1 1 1    0    0   25 o  273.601   4.4933  750.031   24.538 -0.000000 0.000000 
1 1 1    0    0   26 o  101.773   10.013  111.297   18.768 -0.000000 0.000000 
1 1 1    0    0   27 f   46.285   15.629   30.784   18.737 -0.000000 0.000000 
1 1 1    0    0   28 o  575.264   5.9406  3316.66   68.266 -0.000000 0.000000 
1 1 1    0    0   29 o  273.421   4.4681  750.679   24.258 -0.000000 0.000000 
1 1 1    0    0   30 o   50.219   16.201   36.729   17.325 -0.000000 0.000000 
1 1 1    0    0   31 o   26.059   11.935  -8.7414   16.373 -0.000000 0.000000 
1 1 1    0    0   32 o   54.908   13.891   43.228   15.970 -0.000000 0.000000 
1 1 1    0    0   34 o   15.837   8.3287 -58.0855   15.911 -0.000000 0.000000 
1 1 1    0    0   35 o  193.402   4.7686  375.862   18.042 -0.000000 0.000000 
1 1 1    0    0   36 o  135.671   6.4536  190.327   16.826 -0.000000 0.000000 
1 1 1    0    0   37 o   20.846   10.335 -23.7884   16.093 -0.000000 0.000000 
1 1 1    0    0   38 o   31.337   12.682  -2.4553   16.976 -0.000000 0.000000 
1 1 1    0    0   39 o  180.658   5.3234  327.087   18.734 -0.000000 0.000000 
1 1 1    0    0   40 o   23.183   11.421 -16.2487   17.110 -0.000000 0.000000 
1 1 1    0    0   41 o   31.682   13.742   7.7571   16.546 -0.000000 0.000000 
1 1 1    0    0   42 o  120.098   6.9888  151.717   16.270 -0.000000 0.000000 
1 1 1    0    1    4 o   39.638   3.0720   15.715   2.4354      ?      ? 
1 1 1    0    1    5 o  143.009   1.2469  204.168   3.5611 4.404953 2.493813 
1 1 1    0    1    6 o  281.728   1.9975  793.846   11.255 -0.2989502 3.994950 
1 1 1    0    1    7 o  130.336   1.5132  169.954   3.9323 -13.47572 3.026428 
1 1 1    0    1    8 o  885.892   6.0635  7856.85  107.418 -8.709656 12.12708 
1 1 1    0    1    9 o  333.281   2.3924  1110.43   15.940 5.338043 4.784809 
1 1 1    0    1   10 f  265.046   2.0562  702.503   10.897 1.864655 4.112311 
1 1 1    0    1   11 o  274.986   2.1365  756.330   11.749 1.368347 4.272957 
1 1 1    0    1   12 o  154.123   2.0687  237.511   6.3754 -3.746307 4.137499 
1 1 1    0    1   13 o  389.403   2.8003  1517.29   21.808 -2.619110 5.600660 
1 1 1    0    1   14 f  278.034   2.2543  773.390   12.536 0.5429688 4.508669 
1 1 1    0    1   15 o  489.562   3.4562  2399.08   33.839 2.445953 6.912456 
1 1 1    0    1   16 o  236.866   2.3127  561.238   10.955 3.734619 4.625416 
1 1 1    0    1   17 o  486.502   3.4884  2367.66   33.932 7.780151 6.976721 
1 1 1    0    1   18 o  155.188   3.1549  240.976   9.7913 -1.994629 6.309803 
1 1 1    0    1   19 o   36.838   9.7547   9.4759   9.9161 7.153755 19.50945 
1 1 1    0    1   20 o   75.075   7.2831   56.522   10.923 -0.6906204 14.56616 
1 1 1    0    1   21 o  540.820   3.9174  2926.75   42.368 4.136292 7.834795 
1 1 1    0    1   22 f  415.644   4.6500  1728.55   38.655      ?      ? 
1 1 1    0    1   23 o  220.148   4.6448  484.905   20.451      ?      ? 
1 1 1    0    1   24 o  450.701   3.5043  2032.68   31.584 4.154755 7.008673 
1 1 1    0    1   25 o  102.037   6.6044  104.379   13.470 4.924080 13.20874 
1 1 1    0    1   26 o  353.495   3.1531  1250.38   22.288 4.723450 6.306190 
1 1 1    0    1   27 o  410.552   3.3473  1687.66   27.484 -0.5079651 6.694517 
1 1 1    0    1   28 o  301.700   3.1127  911.308   18.781 0.7955933E-01 6.225316 
1 1 1    0    1   29 o  160.004   4.2122  256.796   13.472 -7.010803 8.424418 
1 1 1    0    1   30 o  443.124   3.4601  1968.03   30.664 -2.637329 6.920271 
1 1 1    0    1   31 o   85.402   6.8557   73.833   11.694 5.709351 13.71136 
1 1 1    0    1   32 o   62.722   9.2862   41.798   11.274 -0.8393974 18.57248 
1 1 1    0    1   34 f   20.848   7.2997 -36.1270   11.310 1.850336 14.59945 
1 1 1    0    1   35 o  124.721   4.7114  157.186   11.743 -6.263321 9.422739 
1 1 1    0    1   37 o  122.181   4.7994  151.263   11.723 -5.013451 9.598852 
1 1 1    0    1   38 o   54.966   10.618   32.801   12.002 1.043324 21.23599 
1 1 1    0    1   39 o   53.364   10.693   31.100   12.050 9.836613 21.38632 
1 1 1    0    1   40 o   98.347   6.2976   99.418   12.383 -1.678474 12.59529 
1 1 1    0    1   41 o   55.175   10.409   33.564   11.785 8.893623 20.81842 
1 1 1    0    1   42 f   34.828   10.450   2.0705   11.929 10.18872 20.90052 
1 1 1    0    2    1 o   6.7628   2.8959  -0.0455   0.6990      ?      ? 
1 1 1    0    2    4 o  287.458   2.0002  826.222   11.497 3.699432 4.000459 
1 1 1    0    2    5 o  238.790   1.7171  570.141   8.1994 -3.292435 3.434244 
1 1 1    0    2    6 o  191.167   1.5066  365.491   5.7601 -0.7140045 3.013197 
1 1 1    0    2    7 o  249.125   1.8416  620.279   9.1698 4.476410 3.683292 
1 1 1    0    2    8 o  833.957   5.7064  6962.12   95.172 5.516357 11.41278 
1 1 1    0    2    9 o  519.419   3.5899  2699.13   37.292 1.786438 7.179748 
1 1 1    0    2   10 o  461.273   3.2160  2128.43   29.665 3.999390 6.431963 
1 1 1    0    2   11 o  272.277   2.1249  741.530   11.570 0.8350525 4.249712 
1 1 1    0    2   12 f  163.030   2.0207  265.886   6.5879 0.3941956 4.041391 
1 1 1    0    2   13 o  200.752   2.9294  403.168   11.762      ?      ? 
1 1 1    0    2   14 o  179.244   2.2101  321.119   7.9186 5.130646 4.420220 
1 1 1    0    2   15 o  379.972   2.8011  1444.57   21.285 -3.495056 5.602105 
1 1 1    0    2   16 o  198.586   2.3688  394.519   9.4080 -0.9576263 4.737544 
1 1 1    0    2   17 o  566.545   3.9872  3212.66   45.177 -2.932190 7.974333 
1 1 1    0    2   18 o  285.033   2.5910  812.573   14.769 3.713135 5.181965 
1 1 1    0    2   19 o  296.584   2.7354  879.719   16.223 7.530853 5.470893 
1 1 1    0    2   20 o  574.575   4.0971  3302.93   47.071 -7.955017 8.194100 
1 1 1    0    2   21 f  424.704   3.2799  1803.94   27.850 6.321930 6.559748 
1 1 1    0    2   22 f  294.336   4.2903  866.739   25.256      ?      ? 
1 1 1    0    2   23 o  311.970   4.2819  973.695   26.716      ?      ? 
1 1 1    0    2   24 o  345.959   3.1470  1197.63   21.774 1.288483 6.293940 
1 1 1    0    2   25 o  156.642   4.3962  245.853   13.765 -4.584625 8.792437 
1 1 1    0    2   26 o  391.546   3.2516  1534.48   25.462 -4.184174 6.503110 
1 1 1    0    2   27 o  238.047   3.3034  567.398   15.726 -1.590164 6.606711 
1 1 1    0    2   28 o  218.018   3.4055  475.478   14.841 8.802094 6.811002 
1 1 1    0    2   29 o  204.396   3.4786  418.955   14.205 -11.32188 6.957249 
1 1 1    0    2   30 o  233.306   3.1961  545.429   14.912 0.7522278 6.392175 
1 1 1    0    2   31 o  169.840   3.7090  289.354   12.596 -4.068130 7.418005 
1 1 1    0    2   32 o  168.910   3.7059  286.700   12.507 -8.612274 7.411788 
1 1 1    0    2   34 o   56.682   9.9706   34.724   11.456 15.52370 19.94111 
1 1 1    0    2   35 o   66.555   8.8290   47.405   11.321 1.900948 17.65794 
1 1 1    0    2   36 o  178.324   4.9674  318.866   17.716      ?      ? 
1 1 1    0    2   37 o   44.544   10.760   20.022   11.573 -4.636913 21.51902 
1 1 1    0    2   38 o  122.922   5.0909  152.988   12.514 2.734497 10.18190 
1 1 1    0    2   39 o   79.034   7.6667   64.825   12.090 -3.001770 15.33332 
1 1 1    0    2   40 o   66.240   9.5966   48.171   12.281 -0.9611588 19.19311 
1 1 1    0    2   41 o   88.816   8.7969   91.542   13.469 -27.88632 17.59380 
1 1 1    0    2   42 o   85.918   6.4753   76.021   11.095 9.191261 12.95054 
1 1 1    0    3    1 o   85.858   1.7065   73.722   2.9304      ?      ? 
1 1 1    0    3    2 o   76.012   1.3130   57.780   1.9961      ?      ? 
1 1 1    0    3    4 o  379.603   2.6145  1441.42   19.850 0.1479797 5.229078 
1 1 1    0    3    5 o  263.388   1.8702  693.651   9.8497 -3.551361 3.740314 
1 1 1    0    3    6 o  440.357   3.0362  1939.88   26.740 -0.3309631 6.072453 
1 1 1    0    3    7 o  422.173   2.9287  1782.64   24.726 3.522369 5.857470 
1 1 1    0    3    8 o  289.567   2.1266  838.563   12.315 1.713593 4.253197 
1 1 1    0    3    9 o  1075.59   7.3616 11592.62  158.363 -1.205933 14.72330 
1 1 1    0    3   10 o  194.305   1.8439  377.277   7.1623 5.629715 3.687860 
1 1 1    0    3   11 o  171.258   1.9179  293.386   6.5688 -1.572144 3.835891 
1 1 1    0    3   12 o  441.293   3.1094  1948.99   27.443 0.1973572 6.218766 
1 1 1    0    3   13 o  237.009   2.0980  561.943   9.9449 -1.593750 4.196069 
1 1 1    0    3   14 o  177.012   2.1888  313.177   7.7437 4.308243 4.377611 
1 1 1    0    3   15 o   90.805   3.7738   82.632   6.8429 -5.986954 7.547655 
1 1 1    0    3   16 o  337.729   2.6507  1140.20   17.896 9.401306 5.301448 
1 1 1    0    3   17 o  402.301   3.0090  1619.32   24.210 -0.4445801 6.017939 
1 1 1    0    3   18 o  393.000   3.0068  1544.90   23.628 3.497711 6.013512 
1 1 1    0    3   19 o  734.074   5.1059  5394.67   74.960 -4.388245 10.21182 
1 1 1    0    3   20 o  204.785   3.1088  419.453   12.731 5.015549 6.217507 
1 1 1    0    3   21 o  702.542   4.9239  4941.23   69.181 3.756165 9.847795 
1 1 1    0    3   23 o  256.955   3.1600  660.731   16.235 -2.159576 6.320053 
1 1 1    0    3   24 o  308.639   4.3635  953.161   26.935      ?      ? 
1 1 1    0    3   25 o  226.135   3.3679  511.828   15.229 -5.875412 6.735792 
1 1 1    0    3   26 f   53.756   11.203   29.711   12.891 -4.203640 22.40608 
1 1 1    0    3   27 o  181.399   3.8174  329.495   13.845 2.583221 7.634772 
1 1 1    0    3   28 o  183.171   5.2719  336.086   19.313      ?      ? 
1 1 1    0    3   29 o  141.239   4.6154  200.952   12.991 -11.69402 9.230729 
1 1 1    0    3   30 o   30.756   9.6661  -6.6744   12.068 4.026443 19.33211 
1 1 1    0    3   31 o   61.542   9.8470   40.352   11.865 -8.558037 19.69407 
1 1 1    0    3   32 o  189.309   3.4935  359.982   13.218 -7.136551 6.987092 
1 1 1    0    3   34 o  160.084   3.8371  257.787   12.282 -0.5980377 7.674249 
1 1 1    0    3   35 o   76.626   7.3984   60.793   11.335 0.6745834 14.79682 
1 1 1    0    3   36 o  126.432   6.5651  160.787   16.601      ?      ? 
1 1 1    0    3   37 o   24.636   8.3335 -21.5908   11.716 -1.927912 16.66691 
1 1 1    0    3   38 o   63.128   14.144   43.557   17.413      ?      ? 
1 1 1    0    3   39 f   43.502   10.862   17.827   12.171 -10.67467 21.72440 
1 1 1    0    3   40 o   52.567   11.869   30.632   13.883 -2.408878 23.73827 
1 1 1    0    3   41 o  124.482   4.9047  157.217   12.208 1.701111 9.809461 
1 1 1    0    3   42 f   59.532   9.3014   38.923   10.797 -16.68385 18.60275 
1 1 1    0    4    1 o  256.200   2.5340  655.732   12.974 8.382446 5.067986 
1 1 1    0    4    2 o  563.567   5.4849  3178.23   61.823      ?      ? 
1 1 1    0    4    3 o  302.438   2.9680  914.865   17.953      ?      ? 
1 1 1    0    4    4 o  207.079   1.5216  428.717   6.3002 2.751251 3.043248 
1 1 1    0    4    5 o  143.992   1.3233  205.462   3.7900 12.38730 2.646543 
1 1 1    0    4    6 o  575.999   3.9491  3319.32   45.490 4.786377 7.898267 
1 1 1    0    4    7 o  447.083   3.0932  1999.17   27.655 4.281860 6.186371 
1 1 1    0    4    8 o  273.008   2.0323  745.360   11.096 -2.499512 4.064538 
1 1 1    0    4    9 o  363.015   3.6564  1318.17   26.547      ?      ? 
1 1 1    0    4   10 o  364.920   2.6083  1331.35   19.028 -7.176483 5.216636 
1 1 1    0    4   11 o  225.471   1.9595  508.224   8.8320 4.048706 3.918994 
1 1 1    0    4   12 o  292.519   2.2600  856.054   13.222 0.7599792 4.520093 
1 1 1    0    4   13 f  164.933   2.1132  272.125   6.9704 -1.372543 4.226317 
1 1 1    0    4   14 o  158.100   2.3156  250.020   7.3204 -1.748016 4.631124 
1 1 1    0    4   15 o  474.420   3.3645  2252.74   31.924 1.658203 6.729074 
1 1 1    0    4   17 o   25.733   8.0502  -4.1441   8.1921 3.061111 16.10034 
1 1 1    0    4   18 o  299.081   2.6414  894.901   15.798 -2.410858 5.282785 
1 1 1    0    4   19 o  133.000   4.1395  177.353   10.990 -6.130127 8.278905 
1 1 1    0    4   20 o  414.915   3.2121  1722.04   26.652 -6.870392 6.424110 
1 1 1    0    4   22 o  259.621   3.1732  675.125   16.457 -8.190262 6.346389 
1 1 1    0    4   23 o  409.306   3.3447  1676.62   27.376 -3.057983 6.689430 
1 1 1    0    4   25 o  391.706   3.2516  1535.58   25.468 0.8151245 6.503237 
1 1 1    0    4   26 o  179.418   3.9199  321.799   14.053 9.278915 7.839799 
1 1 1    0    4   27 o  235.818   3.2761  556.966   15.444 -2.303497 6.552265 
1 1 1    0    4   28 o  291.673   3.0870  851.941   18.003 -5.546997 6.173914 
1 1 1    0    4   29 o  139.848   4.5031  196.179   12.584 8.264191 9.006233 
1 1 1    0    4   30 f  170.610   3.8026  292.165   12.950 -13.36755 7.605253 
1 1 1    0    4   31 o  197.132   3.3752  389.876   13.307 -0.2414093 6.750452 
1 1 1    0    4   32 o   77.955   7.7492   62.050   12.073 -0.9898300 15.49838 
1 1 1    0    4   33 o  249.824   4.5111  624.880   22.539      ?      ? 
1 1 1    0    4   34 o  100.152   5.8698  101.491   11.749 3.803009 11.73953 
1 1 1    0    4   35 o   29.823   9.3283  -6.1406   11.475 -9.631262 18.65663 
1 1 1    0    4   36 o   65.353   12.900   45.481   16.261      ?      ? 
1 1 1    0    4   38 o   23.079   7.9699 -30.9988   12.243 -1.431635 15.93982 
1 1 1    0    4   39 o  129.911   5.7175  173.046   14.134 -2.920502 11.43502 
1 1 1    0    4   40 o   44.976   11.056   20.385   12.222 5.060204 22.11236 
1 1 1    0    4   41 o   63.659   9.3050   43.342   11.670 -15.35508 18.60991 
1 1 1    0    4   42 o   48.156   12.226   29.620   14.941 -2.570305 24.45196 
1 1 1    0    5    1 o  485.878   4.7284  2363.12   45.949 -0.3181763 9.456829 
1 1 1    0    5    2 o  533.200   5.2083  2844.72   55.542      ?      ? 
1 1 1    0    5    3 o  553.082   3.8028  3060.89   42.064 1.030823 7.605511 
1 1 1    0    5    4 o  498.712   3.4275  2488.33   34.187 0.7755127 6.855033 
1 1 1    0    5    5 f  195.319   1.5201  381.431   5.9367 2.163788 3.040210 
1 1 1    0    5    6 o  126.041   1.4913  158.902   3.7574 -0.7008820 2.982697 
1 1 1    0    5    7 o  491.671   3.3930  2418.30   33.364 1.766968 6.785905 
1 1 1    0    5    8 o  380.703   2.6806  1449.40   20.406 4.319061 5.361181 
1 1 1    0    5    9 o  443.247   3.0916  1965.41   27.404 -3.637115 6.183135 
1 1 1    0    5   10 o  250.625   2.0116  627.598   10.076 -7.287827 4.023234 
1 1 1    0    5   11 o  155.386   1.9833  240.937   6.1561 9.067902 3.966679 
1 1 1    0    5   12 f  486.896   3.4072  2373.09   33.178 1.854980 6.814334 
1 1 1    0    5   13 o  182.573   2.1109  333.435   7.7075 -2.280472 4.221819 
1 1 1    0    5   14 o   90.377   3.6288   81.822   6.5547 3.549263 7.257658 
1 1 1    0    5   15 o  234.743   2.2864  551.226   10.734 1.775238 4.572866 
1 1 1    0    5   16 o  359.875   3.9379  1295.72   28.343      ?      ? 
1 1 1    0    5   17 o  532.270   3.7723  2835.13   40.156 2.951599 7.544559 
1 1 1    0    5   18 f  338.570   2.8082  1146.73   19.016 0.9976807 5.616436 
1 1 1    0    5   19 f  791.527   5.4878  6273.25   86.872 -4.194397 10.97555 
1 1 1    0    5   20 o  496.081   3.6270  2461.79   35.977 6.522736 7.254020 
1 1 1    0    5   22 o  306.786   4.4567  941.629   27.345      ?      ? 
1 1 1    0    5   23 o  170.632   4.0728  291.229   13.878 2.530685 8.145694 
1 1 1    0    5   24 o  443.580   3.4714  1968.24   30.780 6.040527 6.942850 
1 1 1    0    5   25 o  314.167   3.0753  987.794   19.319 0.5557251E-01 6.150658 
1 1 1    0    5   26 o  456.577   3.5488  2087.29   32.405 -3.953613 7.097509 
1 1 1    0    5   27 f  287.499   3.1275  827.127   17.965 3.114441 6.254947 
1 1 1    0    5   28 o  253.981   4.6035  645.972   23.384      ?      ? 
1 1 1    0    5   29 o  129.931   4.8256  169.460   12.506 1.499664 9.651121 
1 1 1    0    5   30 o   63.116   9.4921   42.791   11.836 -20.44056 18.98426 
1 1 1    0    5   31 o   99.905   5.8562  100.988   11.668 -2.704033 11.71249 
1 1 1    0    5   32 o  185.610   3.6164  346.191   13.421 3.101913 7.232727 
1 1 1    0    5   34 o   28.298   9.1394  -9.9554   11.552 -1.084644 18.27880 
1 1 1    0    5   36 o   23.875   11.551 -26.2454   16.958      ?      ? 
1 1 1    0    5   38 o   86.863   8.7108   82.657   13.561 -9.948677 17.42167 
1 1 1    0    5   39 o   85.783   7.1275   75.635   12.205 4.383690 14.25496 
1 1 1    0    5   40 o   46.093   10.888   22.282   11.807 -2.167358 21.77611 
1 1 1    0    5   41 o   77.611   7.5641   62.058   11.712 -6.908981 15.12817 
1 1 1    0    6    0 o  415.136   4.0786  1720.52   33.811 14.23010 8.157118 
1 1 1    0    6    1 o  541.782   4.5938  2924.10   46.793 7.245361 9.187549 
1 1 1    0    6    2 o  686.530   5.7915  4715.57   75.129 1.535828 11.58291 
1 1 1    0    6    3 o  418.606   2.8975  1752.51   24.255 -4.941498 5.795039 
1 1 1    0    6    4 o  809.951   5.5599  6566.23   90.048 8.833862 11.11978 
1 1 1    0    6    5 o  794.327   5.4433  6313.25   86.445 -12.62958 10.88659 
1 1 1    0    6    6 o  302.754   2.1596  916.676   13.076 -2.478180 4.319157 
1 1 1    0    6    7 o  397.527   2.7715  1580.70   22.035 -1.522186 5.542967 
1 1 1    0    6    8 o  273.546   2.0448  748.266   11.186 -3.631897 4.089596 
1 1 1    0    6    9 o  192.885   1.7986  371.320   6.9293 7.938217 3.597139 
1 1 1    0    6   10 o  292.603   2.2061  856.435   12.909 1.902130 4.412123 
1 1 1    0    6   11 o  474.903   3.3189  2255.23   31.499 11.57803 6.637793 
1 1 1    0    6   12 o  339.423   2.5077  1152.54   17.021 -3.537476 5.015467 
1 1 1    0    6   13 o  382.914   2.7869  1466.92   21.339 5.122253 5.573738 
1 1 1    0    6   14 o  104.304   3.2650  108.918   6.8062 0.7848206 6.529939 
1 1 1    0    6   15 o  244.691   3.2799  598.960   16.051      ?      ? 
1 1 1    0    6   16 o  143.941   2.9855  207.305   8.5943 -0.7724915 5.970973 
1 1 1    0    6   17 o  440.827   3.2272  1944.20   28.451 2.824615 6.454459 
1 1 1    0    6   18 o  263.477   2.6637  694.432   14.036 1.357819 5.327468 
1 1 1    0    6   19 f  467.949   3.4416  2190.82   32.209 3.428406 6.883222 
1 1 1    0    6   20 o  197.069   3.1023  388.289   12.222 4.037567 6.204653 
1 1 1    0    6   23 o  156.689   4.3133  246.287   13.487 -11.14534 8.626635 
1 1 1    0    6   24 o  338.901   3.1483  1148.84   21.330 4.753632 6.296670 
1 1 1    0    6   25 o  260.549   3.1560  679.336   16.439 1.498901 6.312045 
1 1 1    0    6   26 o  211.084   3.4908  446.240   14.719 -0.8540192 6.981674 
1 1 1    0    6   27 o  238.687   3.2455  568.646   15.464 12.18761 6.491028 
1 1 1    0    6   28 o  287.845   4.2483  829.666   24.457      ?      ? 
1 1 1    0    6   29 o  132.598   4.6943  176.262   12.400 2.479919 9.388653 
1 1 1    0    6   30 o  116.834   5.1150  136.789   11.918 5.905228 10.23005 
1 1 1    0    6   31 o  134.577   4.4377  182.071   11.901 0.6582336 8.875471 
1 1 1    0    6   33 o   29.493   13.674 -15.5644   19.262      ?      ? 
1 1 1    0    6   34 o   24.824   8.3609 -20.3129   11.401 3.558456 16.72186 
1 1 1    0    6   36 o   29.478   9.4056 -13.7988   13.145 -9.066929 18.81123 
1 1 1    0    6   37 o   35.397   14.433   5.8857   16.148      ?      ? 
1 1 1    0    6   38 o  120.623   5.0700  147.796   12.191 0.1986389 10.13994 
1 1 1    0    6   39 o   43.556   10.763   17.836   11.804 10.93861 21.52576 
1 1 1    0    6   40 o   62.220   9.2706   43.763   11.718 -34.97511 18.54128 
1 1 1    0    6   41 o   99.941   5.8529  101.820   11.663 9.030479 11.70586 
1 1 1    0    7    1 o  844.520   11.900  7150.70  201.000      ?      ? 
1 1 1    0    7    2 o  472.081   3.9996  2226.74   35.670 1.931580 7.999285 
1 1 1    0    7    3 o  242.482   2.4668  588.036   11.963      ?      ? 
1 1 1    0    7    4 o  484.752   4.7306  2350.74   45.863      ?      ? 
1 1 1    0    7    5 o  350.238   2.4491  1226.64   17.152 -4.194550 4.898144 
1 1 1    0    7    6 o  173.108   1.5316  299.119   5.2963 6.663727 3.063103 
1 1 1    0    7    7 o  430.925   2.9950  1856.88   25.802 6.942963 5.989902 
1 1 1    0    7    8 o  358.076   3.1218  1284.85   21.084 -1.678802 6.243582 
1 1 1    0    7    9 o  480.070   3.3393  2306.63   32.062 0.6913757 6.678592 
1 1 1    0    7   10 o  265.888   2.0886  707.198   11.106 -1.918335 4.177125 
1 1 1    0    7   11 o   61.656   4.2471   38.088   5.2346 -2.309303 8.494233 
1 1 1    0    7   12 o  534.700   3.7232  2862.55   39.814 3.108521 7.446431 
1 1 1    0    7   13 o  125.133   2.6966  156.764   6.7407 -7.498497 5.393248 
1 1 1    0    7   14 o  283.022   2.3416  801.165   13.253 3.920776 4.683210 
1 1 1    0    7   15 o  149.081   3.9252  222.359   11.703      ?      ? 
1 1 1    0    7   16 o  347.831   2.7120  1210.30   18.866 1.453156 5.423977 
1 1 1    0    7   17 o   49.030   12.472   25.071   12.262      ?      ? 
1 1 1    0    7   18 f  416.976   3.1516  1738.24   26.272 -9.760376 6.303211 
1 1 1    0    7   19 f  175.170   3.1377  306.842   10.981 1.772415 6.275420 
1 1 1    0    7   20 o  239.457   2.9172  573.529   13.969 4.458740 5.834330 
1 1 1    0    7   21 o   24.011   11.626 -28.9968   17.300      ?      ? 
1 1 1    0    7   22 o  274.543   3.0942  753.923   16.984 2.714752 6.188404 
1 1 1    0    7   24 o  332.412   3.0956  1105.61   20.576 2.484741 6.191213 
1 1 1    0    7   25 o   79.997   8.0955   64.422   12.922 -0.7244186 16.19092 
1 1 1    0    7   26 o   72.238   9.2452   56.241   12.631 -25.54635 18.49030 
1 1 1    0    7   27 o   84.209   7.5169   71.631   12.612 -4.071350 15.03385 
1 1 1    0    7   28 o   88.055   7.1284   80.035   12.229 -20.35583 14.25684 
1 1 1    0    7   29 o  271.306   2.9616  736.790   16.058 4.555115 5.923247 
1 1 1    0    7   30 o  136.835   4.3672  187.710   11.938 8.372314 8.734365 
1 1 1    0    7   31 o   85.302   6.7251   73.794   11.406 12.05865 13.45020 
1 1 1    0    7   33 o  154.654   4.0763  240.645   12.551 4.806274 8.152509 
1 1 1    0    7   34 o  110.170   5.3358  122.202   11.723 6.851479 10.67153 
1 1 1    0    7   36 o   72.890   8.6481   57.487   12.012 -15.45689 17.29627 
1 1 1    0    7   37 o   90.569   6.6692   82.409   11.996 14.16986 13.33840 
1 1 1    0    7   38 o   99.730   6.0762  101.362   11.967 0.2843094 12.15233 
1 1 1    0    7   39 o   38.160   10.509   8.0169   11.911 13.80306 21.01796 
1 1 1    0    7   40 o   36.245   10.427   5.7778   12.022 8.430695 20.85471 
1 1 1    0    7   41 o   84.414   6.9778   73.053   11.762 6.661934 13.95550 
1 1 1    0    8    0 o  744.118   7.2966  5541.43  108.580 -6.310852 14.59322 
1 1 1    0    8    1 o  344.746   2.9492  1190.50   19.253 -1.527618 5.898330 
1 1 1    0    8    3 o  124.690   2.9113  155.499   7.2603      ?      ? 
1 1 1    0    8    4 o  148.807   1.3686  220.388   4.0587 8.140015 2.737124 
1 1 1    0    8    5 o  393.997   2.7414  1552.57   21.599 -3.812927 5.482747 
1 1 1    0    8    6 o  189.533   1.5940  357.452   6.0204 -10.73926 3.188077 
1 1 1    0    8    7 o  245.743   1.8792  602.786   9.2244 10.01622 3.758312 
1 1 1    0    8    8 o  332.837   2.3916  1108.28   15.920 0.7647400 4.783108 
1 1 1    0    8    9 o  214.923   1.8604  462.001   7.9964 -2.776245 3.720821 
1 1 1    0    8   11 o  256.632   2.9739  658.867   15.264      ?      ? 
1 1 1    0    8   12 o  187.915   2.0765  353.132   7.8024 -5.291290 4.152961 
1 1 1    0    8   13 o  215.731   2.1350  465.489   9.2109 -2.577103 4.270050 
1 1 1    0    8   14 o   74.795   6.4334   56.022   9.6237      ?      ? 
1 1 1    0    8   15 o  138.436   2.9310  191.956   8.1024 -3.300217 5.862016 
1 1 1    0    8   16 o  302.539   2.5467  915.611   15.409 -3.240173 5.093492 
1 1 1    0    8   17 o  250.354   2.6148  626.586   13.080 -15.01811 5.229539 
1 1 1    0    8   18 o  205.475   3.9363  422.347   16.176      ?      ? 
1 1 1    0    8   19 o  302.676   2.7704  916.174   16.768 5.534119 5.540846 
1 1 1    0    8   20 o  637.724   6.3849  4071.02   81.436      ?      ? 
1 1 1    0    8   22 o  214.592   3.3279  460.962   14.275 -8.498978 6.655842 
1 1 1    0    8   23 o  262.247   4.4503  688.176   23.342      ?      ? 
1 1 1    0    8   24 o  151.675   4.4157  230.295   13.391 5.304031 8.831392 
1 1 1    0    8   25 o  160.441   4.1434  257.735   13.284 1.699158 8.286746 
1 1 1    0    8   26 o  192.060   3.5507  369.416   13.612 0.1001740 7.101451 
1 1 1    0    8   27 o  165.336   4.0261  276.202   13.185 -23.89815 8.052147 
1 1 1    0    8   28 o   48.313   10.872   23.401   11.829 4.326214 21.74308 
1 1 1    0    8   29 o  106.416   5.4611  113.715   11.610 6.242332 10.92219 
1 1 1    0    8   30 o  100.873   5.7185  102.794   11.513 -1.907326 11.43705 
1 1 1    0    8   31 o   77.292   7.6745   61.594   11.367 20.46106 15.34907 
1 1 1    0    8   33 f  164.602   4.4360  274.501   13.786 -3.075897 8.872032 
1 1 1    0    8   34 o   40.251   10.559   14.092   11.384 -2.511036 21.11872 
1 1 1    0    8   35 o   65.900   13.358   45.827   16.992      ?      ? 
1 1 1    0    8   36 o   79.885   7.5049   66.306   11.930 -7.638824 15.00976 
1 1 1    0    8   37 o   67.179   9.0010   48.033   11.675 27.80945 18.00207 
1 1 1    0    8   38 o   36.962   10.433   8.4843   11.717 -2.680161 20.86519 
1 1 1    0    8   39 o   41.363   10.694   13.725   11.902 14.27520 21.38800 
1 1 1    0    8   40 o   64.509   9.5586   45.723   12.104 -13.65524 19.11719 
1 1 1    0    8   41 o   83.498   7.0824   71.835   11.820 3.992691 14.16484 
1 1 1    0    9    1 o  860.186   12.111  7421.30  208.348      ?      ? 
1 1 1    0    9    2 o  455.850   3.6368  2100.82   29.435 -10.52182 7.273649 
1 1 1    0    9    3 o  487.161   4.1446  2357.95   37.803 9.802765 8.289147 
1 1 1    0    9    4 o  147.028   3.0399  216.224   8.9390      ?      ? 
1 1 1    0    9    5 o  168.539   1.4880  283.426   5.0094 11.03917 2.976001 
1 1 1    0    9    6 o  456.415   3.1660  2083.23   28.885 -8.698608 6.332084 
1 1 1    0    9    7 f   50.003   3.6607   25.194   3.6285 2.924507 7.321373 
1 1 1    0    9    8 o  266.301   2.0256  709.408   10.788 1.572968 4.051156 
1 1 1    0    9    9 o  386.533   2.7438  1494.91   21.209 -2.976532 5.487587 
1 1 1    0    9   10 o   94.519   2.7729   89.523   5.2326 -2.589851 5.545746 
1 1 1    0    9   11 o  402.778   2.8756  1623.07   23.160 4.984497 5.751283 
1 1 1    0    9   12 o  181.240   2.1166  328.634   7.6711 -3.669174 4.233227 
1 1 1    0    9   13 o  137.716   2.5827  189.661   7.1120 2.944626 5.165491 
1 1 1    0    9   14 o  204.807   3.2083  419.588   13.142      ?      ? 
1 1 1    0    9   15 o  150.858   2.8198  227.350   8.5009 5.424103 5.639584 
1 1 1    0    9   16 o   86.135   5.0933   75.641   8.5846 -19.14733 10.18656 
1 1 1    0    9   17 o  408.815   3.1004  1671.94   25.348 1.426544 6.200704 
1 1 1    0    9   18 o  153.310   3.4663  234.893   10.622 6.768188 6.932521 
1 1 1    0    9   19 o  310.068   2.8323  961.830   17.563 5.315216 5.664688 
1 1 1    0    9   20 o  462.184   4.9567  2137.48   45.818      ?      ? 
1 1 1    0    9   21 o  445.578   4.8667  1986.61   43.370      ?      ? 
1 1 1    0    9   22 o  328.329   3.0321  1077.28   19.898 -14.36542 6.064225 
1 1 1    0    9   23 o  337.554   3.0713  1139.92   20.730 3.838501 6.142687 
1 1 1    0    9   24 o  340.771   3.0871  1162.26   21.037 -0.3623352 6.174107 
1 1 1    0    9   25 o  225.999   3.2526  511.654   14.684 -3.100540 6.505120 
1 1 1    0    9   26 o  135.311   4.7061  184.429   12.672 -8.317612 9.412230 
1 1 1    0    9   27 o  111.626   5.5893  125.399   12.443 -3.021271 11.17869 
1 1 1    0    9   28 o  346.638   3.0359  1202.84   21.034 7.041931 6.071754 
1 1 1    0    9   29 o   59.025   9.7841   36.959   11.348 0.9009857 19.56815 
1 1 1    0    9   30 o  106.905   6.4666  116.278   12.779 -1.951569 12.93328 
1 1 1    0    9   31 o  156.169   5.4369  245.410   16.981      ?      ? 
1 1 1    0    9   33 o   98.931   5.7480   99.170   11.373 1.005539 11.49600 
1 1 1    0    9   34 o   25.121   8.3418 -22.2691   11.538 -10.40597 16.68363 
1 1 1    0    9   35 o   88.489   6.6147   79.434   11.666 8.080444 13.22939 
1 1 1    0    9   36 o   92.793   6.2738   89.016   11.505 -10.09370 12.54755 
1 1 1    0    9   37 o   20.410   7.1777 -38.2349   11.396 1.164064 14.35537 
1 1 1    0    9   38 f   53.723   10.312   32.139   11.672 -14.10456 20.62316 
1 1 1    0    9   39 o   30.007   9.4258  -8.0905   11.803 10.71786 18.85154 
1 1 1    0    9   40 o   67.764   8.8640   48.711   11.721 11.61909 17.72794 
1 1 1    0    9   41 o   75.803   10.677   69.007   15.481 -22.08952 21.35383 
1 1 1    0   10    1 o  441.626   3.7688  1949.94   31.410 1.255493 7.537603 
1 1 1    0   10    2 f  669.729   5.6810  4492.56   72.067 0.3778076 11.36209 
1 1 1    0   10    3 o  177.016   1.8466  312.808   5.9626 0.8200226 3.693251 
1 1 1    0   10    4 o  175.324   1.8861  306.388   6.0415 1.489212 3.772145 
1 1 1    0   10    5 o  301.083   2.1571  906.462   12.985 -4.910492 4.314109 
1 1 1    0   10    6 o  114.925   1.6762  131.815   3.8460 -4.091629 3.352422 
1 1 1    0   10    7 f  104.358   1.9234  109.208   4.0046 5.516891 3.846888 
1 1 1    0   10    8 o  452.846   3.1590  2052.16   28.606 -4.796265 6.318011 
1 1 1    0   10    9 o  399.239   2.8262  1594.77   22.563 -4.438629 5.652457 
1 1 1    0   10   10 o  226.036   1.9912  510.675   8.9970 -5.789246 3.982362 
1 1 1    0   10   11 o  563.687   3.9150  3180.48   44.127 7.264526 7.829938 
1 1 1    0   10   12 o  212.020   2.9793  449.666   12.633      ?      ? 
1 1 1    0   10   14 o  234.079   2.3306  548.248   10.907 -3.439362 4.661102 
1 1 1    0   10   15 o  575.424   4.0345  3313.87   46.430 -0.9708252 8.068915 
1 1 1    0   10   16 o  457.803   4.1119  2085.18   35.180 7.320221 8.223754 
1 1 1    0   10   17 f  364.003   3.5661  1316.41   24.121 6.815521 7.132164 
1 1 1    0   10   18 o  330.256   2.8122  1089.96   18.558 -7.852051 5.624405 
1 1 1    0   10   19 f  306.135   4.0255  937.565   24.647      ?      ? 
1 1 1    0   10   21 o  264.574   3.0275  699.036   16.003 11.73956 6.054955 
1 1 1    0   10   23 o  225.432   3.2584  509.092   14.669 -4.134247 6.516877 
1 1 1    0   10   24 o   53.403   10.884   29.640   12.371 -7.620731 21.76720 
1 1 1    0   10   25 o  310.776   3.6675  966.029   21.378 1.050934 7.335042 
1 1 1    0   10   26 o  163.633   5.4296  268.241   17.769      ?      ? 
1 1 1    0   10   27 o   94.804   7.6374   90.008   13.391 1.931793 15.27472 
1 1 1    0   10   28 f  200.486   3.2628  402.526   13.057 1.912979 6.525538 
1 1 1    0   10   29 f  127.137   4.5038  162.199   11.419 2.600372 9.007659 
1 1 1    0   10   30 o  314.703   2.9288  992.141   18.409 4.265381 5.857610 
1 1 1    0   10   31 o   87.293   9.8448   77.023   17.188      ?      ? 
1 1 1    0   10   32 o  171.977   3.7122  298.066   12.760 -1.516281 7.424488 
1 1 1    0   10   33 o  120.895   4.8440  147.348   11.698 3.557831 9.688034 
1 1 1    0   10   34 o  138.623   5.9475  192.938   16.489      ?      ? 
1 1 1    0   10   35 o   63.039   9.3029   42.756   11.313 5.405052 18.60579 
1 1 1    0   10   36 o   57.941   9.9094   35.971   11.444 13.44159 19.81887 
1 1 1    0   10   37 o   49.431   10.544   26.540   11.505 -9.346741 21.08761 
1 1 1    0   10   38 o   66.316   9.1874   47.273   11.734 9.374901 18.37486 
1 1 1    0   10   39 f   49.812   10.706   26.312   11.841 12.61017 21.41224 
1 1 1    0   10   40 o   89.849   6.4988   82.277   11.637 10.65311 12.99767 
1 1 1    0   11    1 o  223.979   2.0532  503.257   8.6529 -1.904282 4.106432 
1 1 1    0   11    2 f  316.232   2.7560  1003.03   16.503 -2.412659 5.512013 
1 1 1    0   11    3 o  537.527   4.5704  2894.97   46.564 -0.6085205 9.140700 
1 1 1    0   11    4 o  217.469   2.1015  473.897   8.4913 -1.011673 4.203066 
1 1 1    0   11    5 o  116.938   2.1887  135.379   4.4674 2.456604 4.377399 
1 1 1    0   11    6 o  114.934   2.4585  132.135   5.6514      ?      ? 
1 1 1    0   11    7 o  331.733   2.3781  1100.31   15.770 -6.415619 4.756179 
1 1 1    0   11    8 o  109.638   2.1005  120.399   4.5979 7.406067 4.201067 
1 1 1    0   11    9 f  192.851   1.8766  371.650   7.2337 -5.694809 3.753118 
1 1 1    0   11   10 o  357.261   3.6898  1277.05   26.364      ?      ? 
1 1 1    0   11   11 o  309.230   2.3780  956.613   14.707 -0.8218384E-01 4.756079 
1 1 1    0   11   12 o  381.392   2.7843  1454.84   21.233 5.275543 5.568597 
1 1 1    0   11   13 o  148.996   3.6158  222.077   10.775      ?      ? 
1 1 1    0   11   14 o  222.585   2.3468  495.382   10.445 4.418015 4.693642 
1 1 1    0   11   15 o  342.999   2.7143  1176.53   18.616 4.734711 5.428606 
1 1 1    0   11   16 o  355.898   2.8221  1267.09   20.087 0.2892151 5.644136 
1 1 1    0   11   17 f  120.142   4.1671  144.570   9.9978 -1.752380 8.334259 
1 1 1    0   11   18 o  448.704   4.7832  2014.48   42.925      ?      ? 
1 1 1    0   11   19 o  158.707   3.8976  252.293   12.360 4.876923 7.795185 
1 1 1    0   11   21 o  147.645   4.3851  219.390   12.880 -10.74158 8.770107 
1 1 1    0   11   22 o   57.904   9.4808   35.249   12.415 -38.92201 18.96150 
1 1 1    0   11   23 o  233.751   3.1514  546.919   14.717 -0.3516693 6.302868 
1 1 1    0   11   24 o  115.208   5.3934  132.861   12.413 6.785583 10.78676 
1 1 1    0   11   25 o  136.181   4.6198  185.473   12.562 5.783707 9.239684 
1 1 1    0   11   26 o  138.369   6.1262  191.966   16.954      ?      ? 
1 1 1    0   11   27 o  134.792   4.4397  181.910   11.920 3.838776 8.879343 
1 1 1    0   11   28 o  202.702   3.1898  411.688   12.907 0.9188385 6.379571 
1 1 1    0   11   29 o  140.663   4.0519  198.594   11.355 1.591507 8.103832 
1 1 1    0   11   30 o  143.727   4.0918  207.576   11.703 1.338501 8.183637 
1 1 1    0   11   32 o  260.588   2.9615  681.014   15.422 3.299255 5.923010 
1 1 1    0   11   33 o   48.900   10.570   25.853   11.398 -6.093018 21.14095 
1 1 1    0   11   34 o   94.713   9.2985   90.554   17.614      ?      ? 
1 1 1    0   11   35 o  102.907   5.6038  107.611   11.468 2.435532 11.20768 
1 1 1    0   11   36 o  101.966   5.7147  105.040   11.623 4.243095 11.42932 
1 1 1    0   11   37 o  125.313   4.7593  158.164   11.887 14.22634 9.518618 
1 1 1    0   11   38 o   35.006   10.242   5.1227   11.757 -2.418819 20.48424 
1 1 1    0   11   39 o   96.724   6.0962   95.958   11.699 -1.720375 12.19237 
1 1 1    0   11   40 o   76.746   7.8037   62.704   11.449 -13.29594 15.60740 
1 1 1    0   12    0 o  357.512   3.5601  1276.35   25.417 12.01050 7.120278 
1 1 1    0   12    1 o  320.437   2.7931  1021.27   16.749 5.401459 5.586238 
1 1 1    0   12    2 o  376.876   5.2943  1422.15   39.906      ?      ? 
1 1 1    0   12    3 o  501.927   4.0496  2510.54   35.319 4.663544 8.099181 
1 1 1    0   12    4 o  216.878   2.1402  468.106   8.5250 2.808517 4.280379 
1 1 1    0   12    5 o  304.716   2.7103  935.121   15.660 -6.316956 5.420624 
1 1 1    0   12    6 o  152.004   2.3135  231.110   7.0333      ?      ? 
1 1 1    0   12    7 o  214.847   2.5216  461.720   10.835      ?      ? 
1 1 1    0   12    8 f  461.440   3.2259  2130.65   29.767 -5.268280 6.451861 
1 1 1    0   12    9 o  361.502   3.7002  1307.52   26.753      ?      ? 
1 1 1    0   12   10 o  326.820   3.4678  1068.55   22.667      ?      ? 
1 1 1    0   12   11 o  100.254   4.3879  100.566   8.7981      ?      ? 
1 1 1    0   12   12 o  118.639   4.0245  140.814   9.5493      ?      ? 
1 1 1    0   12   13 o  197.410   2.3188  389.813   9.1550 -0.2591248 4.637626 
1 1 1    0   12   14 o  304.388   3.5736  926.789   21.755      ?      ? 
1 1 1    0   12   15 o  300.482   2.5927  902.956   15.579 4.935944 5.185371 
1 1 1    0   12   16 f  207.437   2.7540  430.810   11.416 -6.488510 5.507966 
1 1 1    0   12   17 o  1121.51   7.7140 12614.09  173.025 -2.673096 15.42804 
1 1 1    0   12   18 f  875.164   6.0594  7673.49  106.059 0.1010132 12.11874 
1 1 1    0   12   19 o  290.261   4.1513  842.871   24.099      ?      ? 
1 1 1    0   12   20 o  322.166   3.0008  1038.31   19.331 3.445374 6.001624 
1 1 1    0   12   22 o  207.854   3.3339  432.392   13.834 0.3804016 6.667839 
1 1 1    0   12   23 o  218.797   3.2386  478.610   14.156 5.591080 6.477230 
1 1 1    0   12   24 o  418.021   3.3089  1749.70   27.664 -0.9283447 6.617811 
1 1 1    0   12   25 f  231.472   3.1552  536.958   14.592 -6.859665 6.310343 
1 1 1    0   12   26 o   88.542   6.6479   79.301   11.706 -3.243622 13.29573 
1 1 1    0   12   27 f  177.467   3.4625  316.268   12.261 -6.204330 6.924975 
1 1 1    0   12   28 o   46.717   9.3942   18.840   10.909 31.27297 18.78834 
1 1 1    0   12   29 o   79.660   6.8243   64.650   10.794 -4.238922 13.64865 
1 1 1    0   12   30 o   74.143   8.0933   56.072   11.984 2.437904 16.18655 
1 1 1    0   12   31 o  107.991   8.1393  117.937   17.579      ?      ? 
1 1 1    0   12   32 o   49.632   10.255   25.913   10.907 9.485275 20.51074 
1 1 1    0   12   33 o   26.138   8.6172 -14.1171   11.160 -1.996677 17.23441 
1 1 1    0   12   34 o   54.707   10.206   32.743   11.309 1.423183 20.41147 
1 1 1    0   12   35 o   23.836   8.1180 -22.8775   11.310 3.052271 16.23608 
1 1 1    0   12   36 o   46.205   10.470   22.964   11.259 -9.829544 20.93945 
1 1 1    0   12   37 o   46.397   10.557   21.745   11.290 12.43364 21.11484 
1 1 1    0   12   38 o   63.766   9.4872   44.919   11.653 -4.398075 18.97433 
1 1 1    0   12   39 o   68.145   8.6002   48.773   11.436 9.858253 17.20038 
1 1 1    0   12   40 o   93.107   6.0445   89.817   11.208 -8.819824 12.08898 
1 1 1    0   13    1 o  480.027   4.0941  2316.48   37.358 -6.077362 8.188192 
1 1 1    0   13    2 o  257.923   2.3499  661.058   11.284 4.714584 4.699754 
1 1 1    0   13    3 o  297.862   2.4972  896.553   13.060 -6.315521 4.994370 
1 1 1    0   13    4 o  381.548   3.3009  1461.11   23.905 -3.381134 6.601790 
1 1 1    0   13    5 o  175.729   2.1131  296.767   6.5281 14.23438 4.226125 
1 1 1    0   13    6 o   94.946   2.9796   86.979   4.8636 6.549187 5.959259 
1 1 1    0   13    8 o  465.191   3.2613  2161.78   30.302 -15.22955 6.522599 
1 1 1    0   13    9 o  625.046   4.3246  3909.69   54.042 -10.00879 8.649205 
1 1 1    0   13   10 f  351.236   2.5796  1232.97   18.108 -8.281586 5.159196 
1 1 1    0   13   11 o  145.764   3.3433  212.536   9.7468      ?      ? 
1 1 1    0   13   12 o  376.206   2.7758  1415.79   20.885 -1.700684 5.551667 
1 1 1    0   13   13 o  150.523   2.6684  226.360   8.0279 -6.867188 5.336813 
1 1 1    0   13   14 o  584.432   4.0986  3418.14   47.906 2.349670 8.197129 
1 1 1    0   13   15 o  534.564   3.7903  2859.53   40.522 2.346008 7.580553 
1 1 1    0   13   16 o  485.677   3.5427  2356.98   34.377 -14.42352 7.085327 
1 1 1    0   13   18 o  236.993   4.1845  561.891   19.834      ?      ? 
1 1 1    0   13   19 o  322.136   2.9156  1038.22   18.783 -2.643188 5.831253 
1 1 1    0   13   20 o  563.546   5.7543  3179.20   64.856      ?      ? 
1 1 1    0   13   21 o  265.550   2.9607  705.503   15.722 3.858673 5.921305 
1 1 1    0   13   22 o  203.212   3.3040  413.574   13.416 -2.565735 6.607976 
1 1 1    0   13   23 o  527.994   3.8637  2791.99   40.793 4.529114 7.727382 
1 1 1    0   13   24 o  344.533   3.0446  1188.15   20.972 2.453125 6.089192 
1 1 1    0   13   25 o  212.576   4.4772  452.563   19.035      ?      ? 
1 1 1    0   13   26 o  212.143   3.1350  450.644   13.289 2.790695 6.269952 
1 1 1    0   13   27 o   94.179   5.8281   89.244   10.960 2.213928 11.65626 
1 1 1    0   13   28 o  106.425   5.1434  113.795   10.923 4.468323 10.28679 
1 1 1    0   13   29 o   44.182   10.476   19.260   10.992 -4.322300 20.95256 
1 1 1    0   13   31 o   33.145   9.6984   2.5471   10.735 7.614019 19.39686 
1 1 1    0   13   32 o   22.872   7.8193 -24.0576   10.902 -1.905174 15.63868 
1 1 1    0   13   34 o   89.266   6.2541   81.614   11.117 -2.225090 12.50821 
1 1 1    0   13   35 o  115.423   4.9816  134.390   11.459 1.387039 9.963208 
1 1 1    0   13   36 f   78.087   7.2182   62.318   11.213 4.659599 14.43632 
1 1 1    0   13   37 o   47.223   10.244   23.813   11.467 -17.65728 20.48889 
1 1 1    0   13   38 o   81.372   7.1501   68.002   11.597 4.181244 14.30023 
1 1 1    0   13   39 o   97.884   5.8777   97.650   11.488 -4.402168 11.75540 
1 1 1    0   14    0 o  501.498   7.0206  2517.60   70.416      ?      ? 
1 1 1    0   14    1 o  284.361   4.1063  809.181   23.353      ?      ? 
1 1 1    0   14    2 o  603.922   5.1469  3663.25   59.139 -4.769104 10.29372 
1 1 1    0   14    3 o  280.505   2.4117  782.870   11.610 2.932281 4.823415 
1 1 1    0   14    4 o  205.232   2.0581  409.175   6.7111 9.681412 4.116202 
1 1 1    0   14    5 o  478.355   4.0905  2303.59   37.325 -9.017303 8.181079 
1 1 1    0   14    6 o  537.618   4.5771  2903.64   46.711 -5.677673 9.154140 
1 1 1    0   14    7 o  471.423   4.0760  2195.08   35.586 16.24335 8.152091 
1 1 1    0   14    8 o  362.418   2.6188  1313.11   18.973 -7.500519 5.237507 
1 1 1    0   14    9 o  553.172   3.8502  3060.29   42.572 -11.03210 7.700329 
1 1 1    0   14   10 o  128.555   3.5048  165.316   9.0112      ?      ? 
1 1 1    0   14   11 o  259.027   3.1265  671.108   16.197      ?      ? 
1 1 1    0   14   12 o  240.650   2.2664  579.052   10.905 7.469086 4.532779 
1 1 1    0   14   13 o  454.847   3.2700  2068.33   29.726 -8.564056 6.540064 
1 1 1    0   14   14 f  738.517   5.1128  5459.91   75.504 -8.071777 10.22559 
1 1 1    0   14   15 o  410.516   3.0975  1683.40   25.403 -12.94946 6.195005 
1 1 1    0   14   16 o  340.199   2.8612  1157.76   19.467 4.891388 5.722430 
1 1 1    0   14   17 o  164.839   4.8995  271.874   16.152      ?      ? 
1 1 1    0   14   18 o  319.862   2.8852  1023.25   18.451 -4.930237 5.770359 
1 1 1    0   14   19 o  346.185   4.2505  1199.12   29.429      ?      ? 
1 1 1    0   14   20 o  162.063   3.8066  262.908   12.336 -4.320511 7.613160 
1 1 1    0   14   21 f  272.102   2.8780  740.910   15.662 2.353668 5.756023 
1 1 1    0   14   22 o  439.695   3.3600  1935.57   29.547 2.744293 6.720028 
1 1 1    0   14   23 o  188.354   3.4342  355.611   12.924 -5.335754 6.868327 
1 1 1    0   14   24 o  314.961   2.9607  987.906   18.596 21.87250 5.921457 
1 1 1    0   14   25 o  210.257   3.1477  442.503   13.227 5.366180 6.295452 
1 1 1    0   14   26 o  214.558   3.0309  460.563   12.992 6.025803 6.061870 
1 1 1    0   14   27 o   70.338   7.4973   49.786   10.504 7.750076 14.99467 
1 1 1    0   14   28 o   84.456   6.5153   73.749   10.765 -13.55931 13.03070 
1 1 1    0   14   29 o  267.498   4.1539  717.359   22.223      ?      ? 
1 1 1    0   14   30 o  170.222   3.6884  291.835   12.495 -20.75883 7.376871 
1 1 1    0   14   31 o  162.611   3.6260  265.970   11.788 -2.254456 7.251931 
1 1 1    0   14   33 o   73.039   13.132   57.171   18.485      ?      ? 
1 1 1    0   14   34 o   89.480   6.3707   81.668   11.366 4.134514 12.74147 
1 1 1    0   14   36 o   32.424   9.5393  -1.0085   11.416 -12.58110 19.07853 
1 1 1    0   14   37 o   76.205   7.7480   60.266   11.770 3.566887 15.49602 
1 1 1    0   14   38 o   89.017   6.4630   80.982   11.476 6.592873 12.92593 
1 1 1    0   14   39 o  103.800   5.4986  109.967   11.389 -5.757065 10.99722 
1 1 1    0   15    1 f  452.668   3.8913  2043.64   33.125 4.733704 7.782643 
1 1 1    0   15    2 f  471.059   4.0672  2195.46   35.732 14.87451 8.134372 
1 1 1    0   15    3 o  426.010   3.4876  1811.49   26.001 2.161194 6.975267 
1 1 1    0   15    4 o  270.726   2.5625  725.092   12.801 7.659241 5.124978 
1 1 1    0   15    5 o  597.501   5.0934  3582.19   57.861 -3.852661 10.18684 
1 1 1    0   15    6 o  321.511   2.9508  1025.10   17.557 7.332428 5.901647 
1 1 1    0   15    7 o  364.294   3.2601  1317.94   22.067 7.218903 6.520208 
1 1 1    0   15    8 o  177.289   2.5401  314.639   8.0772 -0.3068390 5.080130 
1 1 1    0   15    9 o  311.465   2.3628  969.479   14.708 -7.275665 4.725562 
1 1 1    0   15   10 o  215.894   2.9762  466.197   12.851      ?      ? 
1 1 1    0   15   11 o  256.810   3.1761  659.660   16.313      ?      ? 
1 1 1    0   15   12 o  540.950   3.7978  2922.63   41.026 -17.93420 7.595632 
1 1 1    0   15   13 o   82.593   4.6929   68.189   7.7089 -11.94595 9.385850 
1 1 1    0   15   14 f  435.218   3.1936  1894.33   27.792 8.146423 6.387290 
1 1 1    0   15   15 o  564.808   5.6628  3192.70   63.968      ?      ? 
1 1 1    0   15   17 o  213.581   2.9324  456.343   12.521 -1.333069 5.864811 
1 1 1    0   15   18 f  700.834   4.9089  4916.63   68.781 12.29376 9.817850 
1 1 1    0   15   19 o  148.351   3.9428  220.247   11.692 -1.842468 7.885539 
1 1 1    0   15   20 o  449.242   3.3815  2020.24   30.382 0.6914978 6.763049 
1 1 1    0   15   21 o  223.465   3.0017  499.867   13.414 1.641891 6.003305 
1 1 1    0   15   22 o  182.841   3.4090  334.802   12.464 -1.129486 6.817901 
1 1 1    0   15   23 o  123.090   6.8883  151.955   16.958      ?      ? 
1 1 1    0   15   24 o  189.280   3.3393  358.996   12.626 -12.47130 6.678580 
1 1 1    0   15   25 o  277.787   2.8252  772.349   15.691 -8.634888 5.650370 
1 1 1    0   15   26 o   86.207   6.1127   74.667   10.517 7.183632 12.22542 
1 1 1    0   15   27 o  108.829   4.8469  118.772   10.527 7.107605 9.693747 
1 1 1    0   15   28 o  146.951   3.9957  216.631   11.702 5.171310 7.991378 
1 1 1    0   15   30 o  129.578   4.4657  168.976   11.549 2.644897 8.931367 
1 1 1    0   15   31 o   59.080   9.5012   38.286   11.036 -12.70427 19.00249 
1 1 1    0   15   33 o   26.591   8.6755 -15.0774   11.433 -7.251732 17.35103 
1 1 1    0   15   34 o  252.284   3.0245  638.214   15.242 4.569336 6.048952 
1 1 1    0   15   35 o  137.473   4.4620  192.660   12.160 -11.52551 8.923980 
1 1 1    0   15   36 o  132.401   4.6031  176.267   12.138 10.51030 9.206112 
1 1 1    0   15   37 o   76.376   8.1875   63.705   11.708 -19.16085 16.37503 
1 1 1    0   15   38 o  105.805   5.4109  112.767   11.395 14.25036 10.82186 
1 1 1    0   15   39 o   21.795   7.5051  -9.2483   10.422 -2.409351 15.01010 
1 1 1    0   16    0 o  606.914   8.5007  3687.20  103.184      ?      ? 
1 1 1    0   16    1 o  541.509   4.6419  2928.14   47.386 4.037842 9.283758 
1 1 1    0   16    2 o  287.071   2.6080  817.105   13.960 6.916595 5.215981 
1 1 1    0   16    3 o  242.297   2.2560  575.465   9.0650 8.613312 4.511989 
1 1 1    0   16    4 o  464.490   3.7794  2182.97   31.518 -11.90640 7.558821 
1 1 1    0   16    5 o  560.645   4.5566  3117.40   44.293 10.12152 9.113209 
1 1 1    0   16    6 o  298.299   2.8322  881.751   15.566 7.155182 5.664427 
1 1 1    0   16    7 o  474.673   4.0960  2261.38   36.823 -4.342468 8.191907 
1 1 1    0   16    8 o  197.999   2.5776  381.214   9.0198 11.61005 5.155197 
1 1 1    0   16    9 o  491.317   4.2311  2432.25   39.584 -11.23120 8.462233 
1 1 1    0   16   10 o  586.968   4.0916  3440.49   47.952 -20.89209 8.183126 
1 1 1    0   16   11 f  697.545   4.8322  4870.97   67.410 -4.089844 9.664417 
1 1 1    0   16   12 o  407.707   2.9892  1662.98   24.374 -0.3493958 5.978450 
1 1 1    0   16   13 o  724.922   5.0283  5253.46   72.815 -21.87378 10.05664 
1 1 1    0   16   14 o  510.283   3.6572  2599.49   37.263 20.10233 7.314447 
1 1 1    0   16   16 o  583.194   4.1312  3404.17   48.175 -7.282837 8.262406 
1 1 1    0   16   17 o  439.331   4.7040  1931.46   41.332      ?      ? 
1 1 1    0   16   18 o  387.442   3.0790  1502.24   23.858 1.955963 6.157939 
1 1 1    0   16   19 o  149.923   3.7567  225.126   11.257 -6.539764 7.513309 
1 1 1    0   16   20 o  147.819   3.8469  218.810   11.372 2.254608 7.693724 
1 1 1    0   16   21 o  255.764   4.0573  654.792   20.754      ?      ? 
1 1 1    0   16   22 o  400.657   3.1824  1607.24   25.501 0.4503479 6.364763 
1 1 1    0   16   23 o  216.957   3.1000  471.270   13.446 2.746475 6.199909 
1 1 1    0   16   24 f  145.582   3.7960  212.339   11.046 7.185638 7.591951 
1 1 1    0   16   25 o  160.723   3.4381  259.025   11.045 -0.4307098 6.876238 
1 1 1    0   16   26 o  149.168   3.6183  223.309   10.765 0.2882843 7.236526 
1 1 1    0   16   27 o   91.798   5.7213   85.123   10.461 0.7904816E-01 11.44259 
1 1 1    0   16   28 o  261.346   4.1584  683.909   21.736      ?      ? 
1 1 1    0   16   29 o  105.067   5.8572  113.546   12.129 -7.043983 11.71443 
1 1 1    0   16   30 o  108.052   5.2509  118.189   11.297 -1.106895 10.50181 
1 1 1    0   16   31 o  192.909   3.3583  374.015   12.943 -8.244461 6.716672 
1 1 1    0   16   32 o  154.327   3.9871  241.202   12.226 -5.826080 7.974114 
1 1 1    0   16   33 o   57.196   9.8374   35.517   11.123 5.458984 19.67473 
1 1 1    0   16   35 o   95.815   6.0478   93.690   11.564 2.957924 12.09564 
1 1 1    0   16   36 o   32.466   9.8777   0.6369   11.525 2.619522 19.75546 
1 1 1    0   16   37 o  176.423   3.5508  314.191   12.460 -2.232117 7.101532 
1 1 1    0   16   38 o  131.083   4.4157  173.607   11.510 0.8805237 8.831439 
1 1 1    0   17    1 o  610.202   5.2422  3700.30   59.876 12.75916 10.48440 
1 1 1    0   17    2 o  689.003   5.8946  4757.47   77.261 -1.286865 11.78924 
1 1 1    0   17    3 o  625.533   6.1349  3913.27   76.647 -19.82495 12.26983 
1 1 1    0   17    4 f  642.866   6.2981  4139.94   80.968 -5.914063 12.59620 
1 1 1    0   17    5 o  255.178   3.0174  651.465   15.398 -3.292435 6.034777 
1 1 1    0   17    6 o  504.586   4.3507  2557.56   41.832 -6.293121 8.701319 
1 1 1    0   17    7 o  268.318   2.6993  722.475   13.430 -2.327332 5.398558 
1 1 1    0   17    8 o  378.511   3.3626  1444.35   24.228 -9.611053 6.725269 
1 1 1    0   17    9 f  331.441   3.0977  1095.62   19.220 2.871002 6.195375 
1 1 1    0   17   10 o  460.885   3.2871  2124.79   30.293 -5.100128 6.574118 
1 1 1    0   17   11 o  521.483   3.6864  2721.17   38.447 2.557129 7.372777 
1 1 1    0   17   12 o  401.967   2.9920  1616.47   24.053 -1.125366 5.983942 
1 1 1    0   17   13 o  560.937   3.9626  3143.49   44.396 -17.73737 7.925228 
1 1 1    0   17   14 o  269.656   2.6110  727.414   14.079 0.5725098E-01 5.222086 
1 1 1    0   17   15 o  444.789   3.3069  1975.24   29.364 -16.36847 6.613704 
1 1 1    0   17   16 o  871.127   6.0315  7605.66  105.077 -5.457153 12.06292 
1 1 1    0   17   17 o  422.660   3.2137  1787.87   27.166 0.6528625 6.427434 
1 1 1    0   17   19 o  194.646   3.0302  379.277   11.787 -10.14337 6.060371 
1 1 1    0   17   20 o  165.368   3.4235  273.932   11.318 -2.174744 6.847019 
1 1 1    0   17   21 o  160.130   3.5679  256.854   11.423 -1.028809 7.135803 
1 1 1    0   17   22 o  112.336   7.0284  126.670   15.791      ?      ? 
1 1 1    0   17   23 o   52.519   9.3119   28.606   10.232 22.35419 18.62382 
1 1 1    0   17   24 o  205.193   2.9282  421.570   12.009 3.032578 5.856377 
1 1 1    0   17   25 o   59.123   8.7333   36.639   9.9994 11.55288 17.46661 
1 1 1    0   17   26 o  300.416   2.7801  901.433   16.656 12.89935 5.560287 
1 1 1    0   17   27 o  304.529   2.9291  930.023   17.836 -4.067993 5.858204 
1 1 1    0   17   28 o  137.393   4.4946  193.887   12.075 -26.88330 8.989145 
1 1 1    0   17   29 o   64.790   8.4194   43.158   10.594 15.61549 16.83871 
1 1 1    0   17   30 o  175.367   3.4428  310.544   12.053 2.627274 6.885680 
1 1 1    0   17   31 o  181.895   4.9594  331.926   18.042      ?      ? 
1 1 1    0   17   32 o   42.569   10.435   17.984   10.900 -3.910435 20.87066 
1 1 1    0   17   33 o  190.009   3.2961  362.021   12.509 5.326202 6.592213 
1 1 1    0   17   34 o   49.796   10.331   26.744   10.903 1.358376 20.66292 
1 1 1    0   17   35 f   75.203   7.4493   58.391   11.147 0.8774033 14.89865 
1 1 1    0   17   36 o   60.803   9.5599   39.920   11.337 12.72397 19.11982 
1 1 1    0   17   37 o   90.687   6.2433   82.926   11.258 11.92329 12.48664 
1 1 1    0   17   38 o   27.542   8.9761   3.7076   11.192 2.711626 17.95219 
1 1 1    0   18    0 o  879.497   12.328  7748.11  216.849      ?      ? 
1 1 1    0   18    2 o  258.368   2.3189  647.246   10.018 14.27931 4.637803 
1 1 1    0   18    3 o  425.021   4.2515  1807.86   36.139 1.838074 8.503040 
1 1 1    0   18    4 o  468.183   4.6634  2192.99   43.648 8.088287 9.326735 
1 1 1    0   18    5 o  148.965   3.3308  222.258   9.9111 -7.809326 6.661512 
1 1 1    0   18    6 o  507.158   5.0379  2575.21   51.099 -2.061371 10.07576 
1 1 1    0   18    7 o  503.667   4.3326  2559.46   41.863 -14.74332 8.665131 
1 1 1    0   18    8 o  302.573   2.9188  918.090   16.571 -2.154968 5.837670 
1 1 1    0   18    9 o  347.306   3.2330  1224.08   21.433 -17.41516 6.466051 
1 1 1    0   18   10 o  428.719   6.2663  1839.82   53.730      ?      ? 
1 1 1    0   18   11 o  505.830   3.6058  2559.88   36.474 -5.002136 7.211632 
1 1 1    0   18   12 o  288.058   3.5207  830.023   20.283      ?      ? 
1 1 1    0   18   13 o  388.051   2.9511  1506.42   22.902 5.444122 5.902210 
1 1 1    0   18   14 o  604.475   4.2544  3656.94   51.418 -8.076782 8.508724 
1 1 1    0   18   16 o  245.692   2.6532  602.350   13.017 -11.93353 5.306441 
1 1 1    0   18   17 o  288.556   2.6645  833.007   15.372 -2.097900 5.329058 
1 1 1    0   18   18 o   40.706   9.8176   15.391   9.6152 2.074310 19.63520 
1 1 1    0   18   19 o  203.329   2.8590  413.654   11.624 -5.953537 5.717991 
1 1 1    0   18   21 o   69.501   7.8859   49.968   10.518 16.22140 15.77188 
1 1 1    0   18   22 o  153.516   3.4659  236.196   10.638 5.225449 6.931728 
1 1 1    0   18   23 o  301.435   2.7451  909.922   16.548 -6.158386 5.490298 
1 1 1    0   18   24 o  223.577   4.0319  500.907   18.029      ?      ? 
1 1 1    0   18   25 o  150.656   3.4975  227.939   10.496 -1.212891 6.994980 
1 1 1    0   18   26 o  137.169   4.0204  188.062   10.990 13.23305 8.040894 
1 1 1    0   18   28 f  184.397   3.2000  341.297   11.789 0.7715607 6.399981 
1 1 1    0   18   29 o   33.954   9.7402   5.4876   10.297 4.298283 19.48036 
1 1 1    0   18   31 o   19.204   6.7697 -37.1994   10.435 -0.2332535 13.53941 
1 1 1    0   18   32 o  211.442   3.0814  448.677   13.009 2.914413 6.162795 
1 1 1    0   18   33 o   62.571   8.7951   42.657   10.688 -8.715858 17.59024 
1 1 1    0   18   34 o  123.076   4.5245  154.874   10.986 -8.843666 9.049052 
1 1 1    0   18   35 o   98.953   5.5886  100.237   10.973 -1.457314 11.17711 
1 1 1    0   18   36 o   81.421   6.6370   68.074   10.794 1.947357 13.27408 
1 1 1    0   18   37 o   92.008   5.8015   86.368   10.599 14.74319 11.60297 
1 1 1    0   19    1 o  619.032   6.1946  3835.64   76.693      ?      ? 
1 1 1    0   19    2 o  356.978   3.2121  1241.08   21.212 24.31763 6.424230 
1 1 1    0   19    3 o  461.563   4.5982  2132.17   42.438 -4.540283 9.196359 
1 1 1    0   19    4 o  273.075   3.1427  744.471   17.143 11.83243 6.285329 
1 1 1    0   19    5 o  382.809   3.9461  1465.91   30.200 -5.579193 7.892193 
1 1 1    0   19    6 o  485.990   4.8588  2364.16   47.219 -4.744049 9.717528 
1 1 1    0   19    7 o  218.983   4.5171  479.780   19.784      ?      ? 
1 1 1    0   19    8 o  450.199   4.0159  1967.81   32.935 31.79294 8.031836 
1 1 1    0   19    9 f  261.701   2.9604  713.675   14.730 -42.71205 5.920810 
1 1 1    0   19   10 o  398.694   5.9894  1590.96   47.759      ?      ? 
1 1 1    0   19   11 o  229.393   5.2502  526.659   24.087      ?      ? 
1 1 1    0   19   12 o  455.316   3.3121  2074.19   30.155 -4.919678 6.624229 
1 1 1    0   19   13 o  351.637   2.7817  1233.00   19.520 -16.92969 5.563367 
1 1 1    0   19   14 o  196.039   3.8344  384.522   15.034      ?      ? 
1 1 1    0   19   15 o  343.136   2.7656  1178.23   18.979 2.907623 5.531287 
1 1 1    0   19   16 o  109.716   4.2562  120.523   9.3331 -5.720306 8.512408 
1 1 1    0   19   17 o  562.548   3.9958  3169.48   44.951 6.274231 7.991641 
1 1 1    0   19   18 o  311.439   2.7198  970.603   16.939 -3.495239 5.439669 
1 1 1    0   19   19 o   61.008   8.4049   38.803   9.8860 1.760818 16.80984 
1 1 1    0   19   20 o   56.857   8.9183   34.141   9.9146 -10.62931 17.83652 
1 1 1    0   19   21 f   65.297   7.3361   43.099   9.5786 -1.715164 14.67218 
1 1 1    0   19   22 f  214.145   2.7394  459.304   11.732 -3.523026 5.478881 
1 1 1    0   19   23 o   64.460   7.6502   43.437   9.4841 -11.58633 15.30045 
1 1 1    0   19   24 o  189.232   2.9116  358.471   11.009 5.841339 5.823243 
1 1 1    0   19   25 o   47.768   9.7618   24.242   9.8407 1.895096 19.52356 
1 1 1    0   19   26 o  234.679   2.8962  550.636   13.580 5.768311 5.792494 
1 1 1    0   19   27 o   85.405   5.9177   73.438   10.023 15.65941 11.83532 
1 1 1    0   19   28 o  139.500   3.6919  196.140   10.276 -6.959839 7.383790 
1 1 1    0   19   29 o  208.575   4.1553  436.031   17.334      ?      ? 
1 1 1    0   19   30 o   44.027   9.7900   20.129   9.9482 -11.46585 19.58000 
1 1 1    0   19   31 o   77.057   6.7741   60.274   10.378 8.336815 13.54818 
1 1 1    0   19   32 o  117.939   4.7076  141.121   11.006 -2.312614 9.415244 
1 1 1    0   19   33 o  104.085   5.3500  110.756   10.935 -3.529808 10.70000 
1 1 1    0   19   34 o  233.890   2.9983  550.517   13.981 -1.555542 5.996680 
1 1 1    0   19   35 o   47.579   10.345   24.433   10.763 -1.307472 20.69076 
1 1 1    0   19   36 o   91.161   6.0817   84.780   11.060 7.903847 12.16335 
1 1 1    0   20    0 o  543.705   7.7146  2958.33   83.889      ?      ? 
1 1 1    0   20    1 o  900.744   9.0286  8129.81  162.649      ?      ? 
1 1 1    0   20    2 o  452.382   4.5378  2041.06   40.929 -19.96371 9.075663 
1 1 1    0   20    3 o  855.219   8.3855  7336.11  143.366 -14.57269 16.77095 
1 1 1    0   20    4 o  666.882   6.5556  4456.55   87.430 6.040527 13.11129 
1 1 1    0   20    5 o   61.366   8.0716   44.168   10.245 52.98072 16.14324 
1 1 1    0   20    6 o  150.953   4.0834  219.880   11.672 -69.22124 8.166771 
1 1 1    0   20    7 f  301.952   3.5203  907.859   21.191 -17.67328 7.040699 
1 1 1    0   20    8 o  443.755   3.9639  1958.02   33.067 8.261902 7.927755 
1 1 1    0   20    9 o  256.005   2.9433  666.647   13.973 -11.70261 5.886647 
1 1 1    0   20   10 o  614.213   5.2912  3758.02   60.899 9.597473 10.58234 
1 1 1    0   20   11 o  427.644   6.3604  1831.14   54.400      ?      ? 
1 1 1    0   20   12 o  161.065   3.8151  264.194   10.862 -6.132217 7.630129 
1 1 1    0   20   13 o  415.796   3.0984  1729.00   25.754 9.227142 6.196718 
1 1 1    0   20   14 o  373.016   2.8710  1391.20   21.404 -8.668091 5.741918 
1 1 1    0   20   15 o  438.042   3.2289  1920.76   28.287 -2.104980 6.457825 
1 1 1    0   20   16 o  306.660   2.6425  939.809   16.192 -9.764160 5.284992 
1 1 1    0   20   17 o   67.570   6.8689   46.069   9.2318 -8.365307 13.73773 
1 1 1    0   20   18 o  189.570   2.8601  359.670   10.843 2.692383 5.720103 
1 1 1    0   20   19 o  157.642   3.2190  248.952   10.148 -0.3271484 6.438011 
1 1 1    0   20   20 o   94.994   4.9166   90.911   9.3151 -6.468155 9.833125 
1 1 1    0   20   21 o  119.821   3.9307  144.015   9.4154 0.6203918 7.861365 
1 1 1    0   20   22 o  201.536   2.7713  407.047   11.166 -1.685760 5.542583 
1 1 1    0   20   23 o  237.814   2.6410  566.782   12.558 -1.482346 5.282070 
1 1 1    0   20   24 o   24.726   7.8867 -15.9251   9.2304 14.20875 15.77338 
1 1 1    0   20   25 o  208.555   2.9342  435.509   12.234 -2.303635 5.868437 
1 1 1    0   20   26 o   49.339   9.5104   26.377   9.6171 -1.441090 19.02078 
1 1 1    0   20   27 o   62.700   7.5946   40.953   9.2864 -3.911549 15.18927 
1 1 1    0   20   28 o   21.172   7.2850 -23.8943   9.8357 1.811655 14.57006 
1 1 1    0   20   30 o   46.054   9.3885   22.804   9.8759 -18.87453 18.77709 
1 1 1    0   20   31 o   84.470   6.3068   72.438   10.583 0.5039749 12.61364 
1 1 1    0   20   32 o   91.198   5.9032   85.432   10.609 -5.218475 11.80645 
1 1 1    0   20   33 o   76.331   7.1356   58.651   10.721 18.83823 14.27117 
1 1 1    0   20   34 o   51.473   10.231   28.745   10.884 5.783798 20.46104 
1 1 1    0   20   35 o   47.629   9.5505   24.538   10.612 -22.70238 19.10094 
1 1 1    0   20   36 o  156.059   3.6121  246.557   11.270 -0.1620636 7.224219 
1 1 1    0   21    1 o  520.929   5.2915  2715.49   55.130      ?      ? 
1 1 1    0   21    2 o  389.303   5.6859  1516.76   44.271      ?      ? 
1 1 1    0   21    3 o  391.562   4.0294  1523.51   31.414 28.73288 8.058890 
1 1 1    0   21    4 o  166.445   3.4643  280.209   11.207 49.66531 6.928601 
1 1 1    0   21    5 o  248.543   3.2211  617.366   15.981 -4.708817 6.442287 
1 1 1    0   21    6 o  260.517   3.3141  678.664   17.246 -3.926208 6.628249 
1 1 1    0   21    7 o  188.462   3.5965  348.264   13.412 -35.11096 7.193091 
1 1 1    0   21    8 o  462.739   4.7429  2101.71   43.256 -51.82980 9.485770 
1 1 1    0   21    9 o  309.141   3.1484  945.141   17.878 8.946228 6.296752 
1 1 1    0   21   10 o   82.285   10.972   68.011   18.057      ?      ? 
1 1 1    0   21   11 o  170.275   3.4137  291.703   10.140 -1.874207 6.827348 
1 1 1    0   21   12 o  586.367   5.0774  3436.78   55.925 4.165161 10.15485 
1 1 1    0   21   13 o  261.863   3.1902  691.675   15.388 -5.321014 6.380308 
1 1 1    0   21   14 o  293.886   3.2323  858.246   17.454 5.367157 6.464679 
1 1 1    0   21   15 o  163.585   2.8612  268.280   9.3435 -10.69485 5.722446 
1 1 1    0   21   16 o  284.578   2.5826  810.494   14.698 0.6711426 5.165113 
1 1 1    0   21   17 o  110.099   5.8158  121.494   12.806      ?      ? 
1 1 1    0   21   18 o  233.910   2.5585  547.745   11.968 -4.134293 5.116947 
1 1 1    0   21   19 o  114.217   3.8782  130.872   8.8558 -3.300110 7.756464 
1 1 1    0   21   20 o  217.152   2.5857  472.085   11.227 -6.175400 5.171315 
1 1 1    0   21   21 o  184.308   2.7888  340.630   10.272 -4.944519 5.577529 
1 1 1    0   21   22 o  208.842   2.6934  436.944   11.246 2.333832 5.386853 
1 1 1    0   21   23 o  241.009   3.7196  582.508   17.929      ?      ? 
1 1 1    0   21   25 o   44.061   9.5450   20.619   9.2562 -4.269623 19.09000 
1 1 1    0   21   26 o   69.661   6.5173   49.112   9.0440 8.660202 13.03466 
1 1 1    0   21   27 o   19.131   6.6875 -29.2822   9.2919 4.180592 13.37507 
1 1 1    0   21   28 o  141.198   5.0803  200.172   14.347      ?      ? 
1 1 1    0   21   29 o  108.616   4.6466  119.293   10.072 2.672012 9.293159 
1 1 1    0   21   30 o  140.665   3.8829  200.064   10.854 -7.910202 7.765804 
1 1 1    0   21   31 o   22.122   7.5618 -21.8357   10.168 -0.4741077 15.12358 
1 1 1    0   21   32 o  143.357   3.9265  208.275   11.140 -4.435745 7.852948 
1 1 1    0   21   33 f   29.483   9.1970  -4.2575   10.625 7.695242 18.39396 
1 1 1    0   21   34 o   81.458   6.5727   68.630   10.556 -3.920822 13.14544 
1 1 1    0   21   35 o   40.263   10.102   15.448   10.198 -1.528049 20.20352 
1 1 1    0   22    0 o  489.040   7.0267  2393.57   68.726      ?      ? 
1 1 1    0   22    1 o  253.775   2.9319  644.201   14.881      ?      ? 
1 1 1    0   22    2 o  328.784   4.9924  1081.87   32.829      ?      ? 
1 1 1    0   22    3 o  118.357   3.9012  135.085   9.0574 -29.50915 7.802425 
1 1 1    0   22    4 o  235.298   3.0938  554.689   14.534 6.056992 6.187519 
1 1 1    0   22    5 o  291.123   3.3964  843.418   19.667 -14.64218 6.792859 
1 1 1    0   22    6 o  406.106   4.2285  1648.11   34.303 15.17789 8.457044 
1 1 1    0   22    7 o  310.380   3.6075  960.965   22.354 18.58286 7.215095 
1 1 1    0   22    8 o  213.713   3.5848  454.952   15.283 -19.24181 7.169593 
1 1 1    0   22    9 f  263.772   3.5624  696.311   18.789 7.205170 7.124734 
1 1 1    0   22   10 o  295.833   3.0985  877.551   16.927 -1.526855 6.196992 
1 1 1    0   22   11 o  502.367   4.4161  2533.95   41.908 -3.578217 8.832193 
1 1 1    0   22   12 o  294.219   3.2012  865.339   17.190 0.9260559 6.402378 
1 1 1    0   22   13 o  220.298   3.2445  480.652   12.594 4.889099 6.489090 
1 1 1    0   22   14 o  454.589   4.1022  2071.75   35.018 -0.9396667 8.204400 
1 1 1    0   22   15 f  221.579   3.3632  507.572   13.363 -16.90723 6.726378 
1 1 1    0   22   16 o  187.704   2.6651  352.765   10.004 -3.820251 5.330290 
1 1 1    0   22   17 o   89.867   4.6832   81.098   8.4130 4.034409 9.366497 
1 1 1    0   22   18 o   38.037   8.2844   12.031   8.0696 -22.24242 16.56884 
1 1 1    0   22   19 o  171.756   2.7425  295.513   9.4207 -0.5440216 5.484954 
1 1 1    0   22   20 o  118.064   3.6451  139.939   8.6029 -0.8415985 7.290227 
1 1 1    0   22   21 o  252.299   2.5249  637.755   12.738 -0.3345032 5.049749 
1 1 1    0   22   24 o   30.737   8.9224   3.5717   8.8847 -3.879250 17.84488 
1 1 1    0   22   25 o  192.054   2.7856  369.944   10.670 0.6770935 5.571200 
1 1 1    0   22   26 o  100.971   4.6695  103.157   9.3861 6.333717 9.339086 
1 1 1    0   22   27 o  149.087   4.9923  223.014   14.886      ?      ? 
1 1 1    0   22   28 o   26.458   8.3880  -5.2146   9.2452 -1.286863 16.77598 
1 1 1    0   22   29 o  213.274   2.8929  455.216   12.296 6.597305 5.785720 
1 1 1    0   22   30 o   95.253   5.4110   92.776   10.199 -1.427727 10.82208 
1 1 1    0   22   31 o  194.831   3.0627  379.171   11.851 10.78831 6.125331 
1 1 1    0   22   32 o   31.185   9.3561   1.4999   10.295 -2.955029 18.71225 
1 1 1    0   22   33 o   73.892   6.9866   55.162   10.207 14.80700 13.97318 
1 1 1    0   22   34 f  114.220   4.5706  131.499   10.385 3.007477 9.141171 
1 1 1    0   23    1 o  234.945   4.0766  552.346   19.155      ?      ? 
1 1 1    0   23    2 o  854.273   11.964  7338.59  204.407      ?      ? 
1 1 1    0   23    3 o  657.994   6.5061  4341.70   85.583 12.44934 13.01212 
1 1 1    0   23    4 o  215.871   3.0697  464.213   13.195 -10.02588 6.139402 
1 1 1    0   23    5 o  317.467   3.5310  1009.04   22.417 3.660217 7.062028 
1 1 1    0   23    6 o  315.958   3.5569  999.227   22.472 8.343414 7.113703 
1 1 1    0   23    7 o  174.773   3.6814  302.088   12.784 -25.90732 7.362842 
1 1 1    0   23    8 o  225.378   3.4967  492.585   15.512 -45.32898 6.993356 
1 1 1    0   23    9 o  400.778   4.2632  1604.27   34.102 -18.86636 8.526339 
1 1 1    0   23   10 o  182.352   3.9879  333.092   14.541 -5.447052 7.975848 
1 1 1    0   23   11 o  362.509   3.4609  1315.47   23.373 0.2237244 6.921835 
1 1 1    0   23   12 o  389.350   3.6518  1504.59   26.252 8.910797 7.303631 
1 1 1    0   23   13 o  250.734   3.1844  638.466   14.487 -8.798904 6.368807 
1 1 1    0   23   14 o  295.256   3.2431  875.986   17.654 -2.683228 6.486299 
1 1 1    0   23   15 o  284.977   3.2095  808.875   16.616 3.842194 6.419013 
1 1 1    0   23   16 o   30.545   9.4282  -3.2557   9.3036 13.87396 18.85649 
1 1 1    0   23   17 f  125.094   3.2375  156.826   8.0992 2.444267 6.475091 
1 1 1    0   23   18 o   72.414   5.5097   53.067   7.9425 -6.238235 11.01934 
1 1 1    0   23   19 o  127.442   3.2723  162.944   8.3381 3.966652 6.544628 
1 1 1    0   23   20 o  327.347   2.6683  1073.49   17.465 -5.831116 5.336684 
1 1 1    0   23   23 o  119.831   3.7079  144.358   8.8823 5.023064 7.415796 
1 1 1    0   23   24 o  198.445   2.6131  394.789   10.364 1.591934 5.226226 
1 1 1    0   23   26 f  134.262   5.0611  180.899   13.590      ?      ? 
1 1 1    0   23   27 o  146.688   3.2944  216.391   9.6601 2.591675 6.588723 
1 1 1    0   23   28 o   88.260   8.3326   79.088   14.709      ?      ? 
1 1 1    0   23   29 o   53.971   8.8808   32.861   9.8040 -19.84070 17.76169 
1 1 1    0   23   30 o   80.802   6.6323   69.505   10.292 -15.73181 13.26452 
1 1 1    0   23   31 o   36.727   10.074   9.6230   10.529 6.564434 20.14835 
1 1 1    0   23   32 o   63.475   8.3957   44.275   10.117 -13.42542 16.79146 
1 1 1    0   23   33 o   88.333   5.9083   79.833   10.295 -3.382545 11.81660 
1 1 1    0   23   34 o   36.826   9.4813   13.254   10.384 22.01528 18.96266 
1 1 1    0   24    0 o  911.874   13.195  8349.27  240.641      ?      ? 
1 1 1    0   24    1 f  607.277   8.6302  3700.86  104.819      ?      ? 
1 1 1    0   24    2 o  479.949   6.8431  2308.68   65.687      ?      ? 
1 1 1    0   24    3 o  214.378   4.3160  459.999   18.505      ?      ? 
1 1 1    0   24    4 o  285.818   3.2801  814.957   18.718 19.26266 6.560248 
1 1 1    0   24    5 o  343.633   3.6978  1180.32   25.371 -10.36209 7.395654 
1 1 1    0   24    6 o  382.214   4.0139  1460.50   30.644 14.86057 8.027740 
1 1 1    0   24    7 o  193.796   3.4258  375.990   13.276 -3.075455 6.851513 
1 1 1    0   24    8 o  114.180   5.1237  130.865   11.658 -12.66176 10.24736 
1 1 1    0   24    9 o  240.026   3.4816  576.745   16.710 -5.555267 6.963244 
1 1 1    0   24   10 o  225.048   3.6410  505.435   16.358 -16.14862 7.282091 
1 1 1    0   24   11 o  235.673   3.6660  556.305   17.279 -3.532516 7.332067 
1 1 1    0   24   12 o  174.294   3.2439  281.061   9.2645 22.84720 6.487701 
1 1 1    0   24   13 o  245.229   3.0615  611.571   13.594 -9.060593 6.122994 
1 1 1    0   24   14 o  177.720   3.3553  318.111   10.186 -1.913086 6.710596 
1 1 1    0   24   15 o  111.929   4.9270  126.409   8.8622 -1.092369 9.853907 
1 1 1    0   24   16 o   53.297   9.5194   25.181   8.8439 17.89648 19.03881 
1 1 1    0   24   17 o  106.806   5.5959  127.081   9.3691 -19.34045 11.19177 
1 1 1    0   24   18 o   59.844   6.8846   39.141   7.5728 -26.39907 13.76923 
1 1 1    0   24   19 f   25.327   7.7543  -4.6418   7.7821 -10.01022 15.50863 
1 1 1    0   24   21 o   68.901   9.1347   47.978   12.588      ?      ? 
1 1 1    0   24   22 f   68.472   6.0288   47.895   8.1828 -9.459717 12.05751 
1 1 1    0   24   23 o   70.642   5.9745   51.268   8.2851 -15.50347 11.94907 
1 1 1    0   24   24 o   84.351   7.2536   71.963   12.237      ?      ? 
1 1 1    0   24   25 o   97.800   6.6843   96.376   13.074      ?      ? 
1 1 1    0   24   26 f  107.306   4.2046  116.664   8.9957 -8.266197 8.409275 
1 1 1    0   24   27 o  115.157   5.9745  133.640   13.760      ?      ? 
1 1 1    0   24   28 o  132.251   3.7793  176.981   9.9504 -2.093323 7.558685 
1 1 1    0   24   29 o  103.468   4.7357  108.449   9.7319 0.5768814 9.471455 
1 1 1    0   24   30 o   60.015   8.9358   38.240   10.335 12.96679 17.87170 
1 1 1    0   24   31 o  179.291   3.2446  322.138   11.569 6.861191 6.489169 
1 1 1    0   24   32 o  105.782   4.8345  112.876   10.123 2.227768 9.668917 
1 1 1    0   24   33 o   80.645   6.3074   64.000   9.7921 30.61184 12.61485 
1 1 1    0   25    1 o  358.053   5.3211  1284.17   38.105      ?      ? 
1 1 1    0   25    2 o  224.136   4.1222  502.878   18.479      ?      ? 
1 1 1    0   25    3 o  437.825   6.3016  1921.50   55.180      ?      ? 
1 1 1    0   25    4 o  353.101   3.7299  1249.01   26.337 1.586426 7.459834 
1 1 1    0   25    5 o  314.359   3.4914  988.098   21.932 17.22064 6.982740 
1 1 1    0   25    6 o  366.341   3.8968  1343.44   28.527 -6.997284 7.793592 
1 1 1    0   25    7 o  473.904   4.8013  2247.63   45.434 -16.07721 9.602530 
1 1 1    0   25    8 o  203.648   3.4744  412.859   14.107 -16.41998 6.948807 
1 1 1    0   25    9 o  147.319   4.4148  219.170   12.717 39.62943 8.829677 
1 1 1    0   25   10 o  234.688   3.5188  551.486   16.508 -7.601120 7.037620 
1 1 1    0   25   11 o  189.841   3.7641  361.113   14.271 -14.27856 7.528135 
1 1 1    0   25   12 o   56.667   10.580   33.974   12.169 0.2527962 21.16093 
1 1 1    0   25   13 o   88.750   5.7472   82.389   7.3655 -5.455597 11.49436 
1 1 1    0   25   14 f   68.055   7.7772   51.521   7.6386 -10.03742 15.55439 
1 1 1    0   25   15 o  169.069   3.4847  291.735   9.8165 -5.641373 6.969406 
1 1 1    0   25   16 f  259.781   3.0959  683.040   14.584 -6.096741 6.191862 
1 1 1    0   25   17 o  197.100   3.2650  383.641   11.152 5.875809 6.529984 
1 1 1    0   25   18 o   20.217   7.1555 -28.6592   9.4925 5.514906 14.31105 
1 1 1    0   25   19 o  227.801   5.8753  519.992   26.768      ?      ? 
1 1 1    0   25   20 o  152.980   4.0521  235.106   12.398      ?      ? 
1 1 1    0   25   21 o   79.149   4.9279   63.167   7.7766 8.669716 9.855798 
1 1 1    0   25   22 o  129.119   3.3021  167.909   8.5139 -6.174889 6.604239 
1 1 1    0   25   25 o   20.135   6.8772 -19.6056   8.4780 4.086424 13.75446 
1 1 1    0   25   26 o  167.296   3.0326  281.447   10.121 -5.136673 6.065257 
1 1 1    0   25   27 o   22.950   7.6344 -12.4646   8.9853 -0.1097660 15.26872 
1 1 1    0   25   28 o  144.173   3.4282  209.037   9.8560 2.870163 6.856394 
1 1 1    0   25   29 o   25.732   8.3028  -7.8635   9.5397 0.8620186 16.60551 
1 1 1    0   25   30 o   51.267   9.4714   28.332   9.8461 9.148823 18.94275 
1 1 1    0   25   31 o  115.360   4.4643  134.850   10.212 -2.761757 8.928596 
1 1 1    0   25   32 o   79.651   6.1949   66.273   9.5268 -4.922729 12.38988 
1 1 1    0   26    1 o  417.349   6.1175  1745.96   51.063      ?      ? 
1 1 1    0   26    2 o  216.294   4.1389  468.351   17.904      ?      ? 
1 1 1    0   26    3 o  362.349   5.4079  1315.56   39.191      ?      ? 
1 1 1    0   26    4 o  197.878   4.4663  392.116   17.676      ?      ? 
1 1 1    0   26    5 o  285.724   3.2970  816.584   18.824 16.85889 6.594088 
1 1 1    0   26    6 o  392.849   4.0826  1546.30   32.048 -8.556183 8.165298 
1 1 1    0   26    7 o  325.931   3.5929  1063.97   23.400 -6.978882 7.185768 
1 1 1    0   26    8 f  108.989   4.9239  118.544   10.671 -16.55998 9.847803 
1 1 1    0   26    9 o  187.882   3.5433  353.855   13.314 -1.840332 7.086601 
1 1 1    0   26   10 o  314.172   3.6349  989.342   22.836 -5.204193 7.269708 
1 1 1    0   26   11 o   96.386   6.0555   93.646   11.673 -1.184517 12.11110 
1 1 1    0   26   12 o  201.913   3.6213  407.459   14.596 15.43355 7.242677 
1 1 1    0   26   13 o  108.025   5.7418  117.979   12.382 -6.013222 11.48366 
1 1 1    0   26   14 f  376.825   3.5320  1427.36   24.912 -2.141785 7.063993 
1 1 1    0   26   15 o  122.847   4.3804  156.280   8.1227 -6.049072 8.760860 
1 1 1    0   26   16 o   62.992   15.491   43.262   19.406      ?      ? 
1 1 1    0   26   17 o  376.816   3.6151  1371.34   24.460 29.80212 7.230238 
1 1 1    0   26   18 o  206.740   3.3518  419.998   12.003 8.131470 6.703544 
1 1 1    0   26   19 f  136.966   4.1807  173.049   9.6629 20.73544 8.361379 
1 1 1    0   26   20 o  173.742   3.6555  306.893   10.929 -4.308411 7.310931 
1 1 1    0   26   21 o   23.741   11.596 -30.7395   18.195      ?      ? 
1 1 1    0   26   23 o  142.874   4.4356  205.298   12.675      ?      ? 
1 1 1    0   26   24 o   78.940   5.4413   63.696   8.5117 13.16209 10.88258 
1 1 1    0   26   25 f  249.171   2.5853  622.586   12.874 -1.005280 5.170632 
1 1 1    0   26   26 o   69.540   6.4674   49.015   8.9222 11.93274 12.93484 
1 1 1    0   26   27 o  148.769   3.2596  221.855   9.6436 5.550919 6.519276 
1 1 1    0   26   28 o   32.097   9.0312   4.0060   9.0839 11.69621 18.06235 
1 1 1    0   26   29 o   97.573   4.8774   96.917   9.4542 -3.229622 9.754894 
1 1 1    0   26   30 o   59.882   8.2310   39.050   9.4888 -15.60268 16.46195 
1 1 1    0   26   31 o  118.231   3.9928  140.402   9.3798 7.603279 7.985693 
1 1 1    0   27    1 o   98.229   4.8076   96.715   9.4449      ?      ? 
1 1 1    0   27    2 o  271.998   4.3521  741.229   23.675      ?      ? 
1 1 1    0   27    3 o  146.790   4.6345  215.930   13.606      ?      ? 
1 1 1    0   27    4 o  157.494   4.7418  248.579   14.936      ?      ? 
1 1 1    0   27    5 o  180.972   3.0755  329.548   11.076 10.53558 6.151001 
1 1 1    0   27    6 f  143.090   3.5054  204.704   9.9716 -3.279327 7.010832 
1 1 1    0   27    7 o  175.709   3.2732  310.461   11.464 11.44308 6.546337 
1 1 1    0   27    8 f   46.711   9.6987   22.746   9.7260 5.903343 19.39733 
1 1 1    0   27    9 o  196.894   3.3113  388.467   13.035 -5.627533 6.622501 
1 1 1    0   27   10 f  373.391   3.9875  1392.32   29.661 22.57974 7.974907 
1 1 1    0   27   11 o  149.212   4.0465  223.646   12.046 -14.18732 8.093082 
1 1 1    0   27   12 o  222.407   3.4014  496.241   15.128 2.481949 6.802739 
1 1 1    0   27   13 f  171.010   3.8700  294.396   13.197 -15.33936 7.739923 
1 1 1    0   27   15 o  390.784   6.0334  1530.74   47.155      ?      ? 
1 1 1    0   27   16 o  107.302   4.8720  100.182   8.4215 24.05433 9.743966 
1 1 1    0   27   17 o  227.984   3.0565  534.674   12.590 -13.76634 6.113010 
1 1 1    0   27   18 o   25.596   8.4208 -12.8487   8.2610 16.56666 16.84165 
1 1 1    0   27   19 o  161.600   3.7427  266.927   10.473 -5.401123 7.485371 
1 1 1    0   27   20 o  133.495   7.8342  179.806   20.916      ?      ? 
1 1 1    0   27   21 o  289.365   5.1809  840.912   29.984      ?      ? 
1 1 1    0   27   22 o  163.345   3.5380  282.410   10.351 -20.66292 7.076001 
1 1 1    0   27   23 o   17.091   8.4853 -26.2002   11.086      ?      ? 
1 1 1    0   27   24 o  130.518   3.3652  171.491   8.7661 -3.932495 6.730372 
1 1 1    0   27   25 f   74.357   5.7789   56.421   8.5490 -1.347786 11.55780 
1 1 1    0   27   26 o   26.991   8.3523  -1.9771   8.5519 2.967752 16.70460 
1 1 1    0   27   27 o   60.270   7.4927   38.241   8.7865 -0.7928391 14.98540 
1 1 1    0   27   28 o   85.823   5.4349   75.577   9.1936 -4.692635 10.86977 
1 1 1    0   27   29 o   93.104   5.1202   88.676   9.3935 -6.134247 10.24036 
1 1 1    0   27   30 o   32.980   9.3806   6.6239   9.4954 -1.667309 18.76115 
1 1 1    0   28    1 o  261.068   4.2229  682.957   22.049      ?      ? 
1 1 1    0   28    2 o  113.920   4.5662  130.090   10.404      ?      ? 
1 1 1    0   28    3 o  217.303   4.0343  473.110   17.534      ?      ? 
1 1 1    0   28    4 f  158.299   4.4894  251.195   14.213      ?      ? 
1 1 1    0   28    5 o   92.830   7.1383   86.729   13.253      ?      ? 
1 1 1    0   28    6 o  231.866   3.0409  539.604   14.071 4.622772 6.081853 
1 1 1    0   28    7 o   78.360   5.9109   61.824   9.1647 -1.591736 11.82170 
1 1 1    0   28    8 f  105.067   4.5317  109.601   9.4505 -17.39333 9.063374 
1 1 1    0   28    9 o  154.373   3.5633  239.297   10.993 1.892288 7.126699 
1 1 1    0   28   10 o  247.048   3.2703  612.222   16.156 5.574982 6.540637 
1 1 1    0   28   11 o   95.927   6.0208   94.279   11.404 16.95425 12.04155 
1 1 1    0   28   12 o  202.746   3.7052  388.750   14.479 -75.19261 7.410462 
1 1 1    0   28   13 o  367.581   3.9818  1349.35   29.213 -17.62784 7.963626 
1 1 1    0   28   14 f   84.509   8.2751   80.183   11.790 64.36862 16.55015 
1 1 1    0   28   15 o   76.469   8.1171   62.945   11.542 -28.07169 16.23417 
1 1 1    0   28   16 o  190.296   3.1158  362.111   9.8690 0.9759979 6.231512 
1 1 1    0   28   17 o   89.951   5.6138   74.939   7.6488 11.27465 11.22753 
1 1 1    0   28   18 o   47.898   16.890   22.823   20.193      ?      ? 
1 1 1    0   28   19 f  387.516   3.6598  1492.71   26.145 8.160278 7.319620 
1 1 1    0   28   20 o   49.778   9.6700   26.453   8.7277 -0.4395027 19.33992 
1 1 1    0   28   21 o  254.413   3.1961  648.681   14.557 1.634766 6.392120 
1 1 1    0   28   22 o  140.577   4.1939  183.588   10.142 20.69469 8.387802 
1 1 1    0   28   23 o  132.136   4.7634  183.735   10.534 -10.16342 9.526833 
1 1 1    0   28   24 o  154.328   4.1750  240.021   11.007 -0.2040100 8.349992 
1 1 1    0   28   25 o   49.688   8.6562   27.147   8.5529 -6.514561 17.31240 
1 1 1    0   28   26 o   30.715   8.4059   1.1803   8.4626 17.73033 16.81171 
1 1 1    0   28   27 f   64.247   7.5674   47.079   8.8342 -27.70175 15.13483 
1 1 1    0   28   28 o   98.997   4.5703   98.776   9.0127 2.797874 9.140553 
1 1 1    0   28   29 o  186.050   3.8949  349.038   14.493      ?      ? 
1 1 1    0   29    2 o   80.483   5.4989   65.063   8.8514      ?      ? 
1 1 1    0   29    3 o  122.151   4.6875  149.687   11.452      ?      ? 
1 1 1    0   29    4 o  334.230   5.0448  1121.28   33.722      ?      ? 
1 1 1    0   29    5 o  149.438   4.7959  224.096   14.334      ?      ? 
1 1 1    0   29    6 o  223.673   2.9667  502.105   13.206 1.727570 5.933382 
1 1 1    0   29    7 o  174.641   3.2052  308.528   11.080 10.94104 6.410485 
1 1 1    0   29    8 o  222.873   3.1485  498.970   13.970 1.680008 6.296927 
1 1 1    0   29    9 f  282.362   3.3878  778.879   18.822 -38.55829 6.775605 
1 1 1    0   29   10 o  379.360   4.0444  1428.00   30.497 31.99570 8.088859 
1 1 1    0   29   12 o   51.346   9.8749   27.556   11.265 -25.01843 19.74979 
1 1 1    0   29   13 o  145.503   4.2513  212.944   12.349 -12.37851 8.502512 
1 1 1    0   29   14 o   90.120   6.5333   82.746   11.765 2.473495 13.06658 
1 1 1    0   29   15 f  150.729   4.4202  229.771   13.301 8.592117 8.840447 
1 1 1    0   29   16 o  170.180   4.4175  292.837   15.033 -0.5722961 8.835041 
1 1 1    0   29   17 o  279.605   5.4889  783.982   30.695      ?      ? 
1 1 1    0   29   18 o   37.396   15.786   3.6788   20.266      ?      ? 
1 1 1    0   29   19 o  142.130   3.9401  193.510   8.9346 11.22404 7.880212 
1 1 1    0   29   20 o   98.635   5.9302  104.970   9.0399 -10.74678 11.86033 
1 1 1    0   29   21 o   33.467   9.7194   5.9814   9.1158 3.140659 19.43872 
1 1 1    0   29   22 o  110.535   5.2757  116.218   9.7422 12.08614 10.55138 
1 1 1    0   29   23 f  128.974   5.0707  182.309   10.392 -18.73894 10.14133 
1 1 1    0   29   24 o   90.338   6.9720   88.347   10.010 -9.566933 13.94406 
1 1 1    0   29   25 o  100.537   6.1489  100.581   10.306 4.092651 12.29783 
1 1 1    0   29   26 o  105.738   5.9617  117.817   10.499 -7.324333 11.92335 
1 1 1    0   29   27 o  165.907   3.1207  275.315   10.241 5.116272 6.241388 
1 1 1    0   29   28 o  100.107   4.8180  104.321   9.3382 35.76292 9.635904 
1 1 1    0   30    2 o  329.711   5.0065  1090.56   33.014      ?      ? 
1 1 1    0   30    3 o  216.709   3.9842  470.368   17.268      ?      ? 
1 1 1    0   30    4 o  216.474   4.0864  469.197   17.692      ?      ? 
1 1 1    0   30    5 o  190.807   4.2391  364.470   16.177      ?      ? 
1 1 1    0   30    6 o   90.751   7.2577   82.624   13.173      ?      ? 
1 1 1    0   30    7 o  132.211   3.7978  180.937   9.7213 28.55054 7.595646 
1 1 1    0   30    8 o  364.140   3.8369  1316.71   27.652 -32.50980 7.673857 
1 1 1    0   30    9 o  230.530   3.1206  525.931   14.245 -24.00626 6.241247 
1 1 1    0   30   10 o  117.246   4.3993  138.624   10.230 1.038437 8.798693 
1 1 1    0   30   11 o   82.170   6.3999   68.265   10.455 -4.317413 12.79972 
1 1 1    0   30   12 o  112.310   5.2349  127.118   11.738 -7.709709 10.46985 
1 1 1    0   30   13 o   78.087   8.0244   65.098   12.089 16.69051 16.04878 
1 1 1    0   30   14 o  132.508   4.8376  176.883   12.804 -1.670853 9.675208 
1 1 1    0   30   15 o  171.098   4.2363  285.502   13.983 64.25127 8.472686 
1 1 1    0   30   16 o  148.464   4.7244  222.119   13.979 17.37968 9.448714 
1 1 1    0   30   17 o  199.694   4.0301  402.101   16.082 5.155716 8.060203 
1 1 1    0   30   18 o   23.350   8.1911 -22.2802   7.0693 21.65166 16.38217 
1 1 1    0   30   19 o  156.411   7.1903  247.150   22.493      ?      ? 
1 1 1    0   30   20 o   67.312   15.747   51.125   20.844      ?      ? 
1 1 1    0   30   21 o  110.968   5.2578  123.179   9.1737 1.680389 10.51560 
1 1 1    0   30   22 o  110.048   5.3696  122.148   9.6691 0.5921402 10.73919 
1 1 1    0   30   23 o  131.540   4.7240  176.329   10.311 -1.969131 9.448015 
1 1 1    0   30   24 o   99.302   6.1735  100.794   10.009 -1.118362 12.34704 
1 1 1    0   30   25 o  154.457   4.1620  239.616   10.772 0.6886292 8.324022 
1 1 1    0   30   26 o   94.468   6.3118   86.398   10.075 8.419350 12.62365 
1 1 1    0   31    2 f  111.133   3.1124  123.831   6.9178      ?      ? 
1 1 1    0   31    3 o  150.163   3.7180  226.256   11.166      ?      ? 
1 1 1    0   31    4 o   93.513   5.7125   88.049   10.684      ?      ? 
1 1 1    0   31    5 o  207.012   4.0638  429.899   16.825      ?      ? 
1 1 1    0   31    6 o  187.283   4.3003  352.030   16.107      ?      ? 
1 1 1    0   31    7 o  298.842   4.8165  897.442   28.787      ?      ? 
1 1 1    0   31    8 o   64.897   6.9255   42.698   8.9503 -3.847702 13.85092 
1 1 1    0   31    9 o  121.963   4.1787  149.305   10.163 -7.160294 8.357319 
1 1 1    0   31   10 o   70.620   7.6039   52.101   10.379 -16.05267 15.20781 
1 1 1    0   31   11 o   97.886   5.9633   96.896   11.659 -0.7929840 11.92653 
1 1 1    0   31   12 o  408.981   4.3185  1667.41   35.153 25.91324 8.636943 
1 1 1    0   31   13 o   80.094   7.4479   64.795   11.847 13.01143 14.89584 
1 1 1    0   31   14 o   68.894   8.9001   50.135   11.922 15.04818 17.80018 
1 1 1    0   31   15 o  133.282   4.9174  180.552   13.085 -7.278961 9.834873 
1 1 1    0   31   16 o   31.986   10.059  -5.3201   12.994 -2.247879 20.11851 
1 1 1    0   31   17 o   69.429   10.123   51.817   13.571 0.5529099 20.24607 
1 1 1    0   31   18 o  180.135   4.3865  329.228   15.750 -1.192596 8.773068 
1 1 1    0   31   19 o   75.291   7.9085   62.741   6.9360 -8.519890 15.81709 
1 1 1    0   31   20 o   73.025   7.6743   50.422   8.0615 8.561867 15.34861 
1 1 1    0   31   21 f  109.250   5.4750  127.694   8.7472 -9.556999 10.94999 
1 1 1    0   31   22 o  202.548   3.6744  423.189   12.184 -9.060806 7.348708 
1 1 1    0   31   23 o  144.847   4.5008  216.635   10.370 -5.800385 9.001575 
1 1 1    0   31   24 o  105.918   5.7712  113.938   9.9075 -0.8131790 11.54235 
1 1 1    0   31   25 o   79.402   7.1960   60.975   9.6782 9.651085 14.39204 
1 1 1    0   32    3 o  172.181   3.3045  297.319   11.379      ?      ? 
1 1 1    0   32    4 o  288.782   4.4858  839.791   25.909      ?      ? 
1 1 1    0   32    5 o  154.056   4.4680  239.563   13.766      ?      ? 
1 1 1    0   32    6 o  324.125   5.0655  1059.32   32.837      ?      ? 
1 1 1    0   32    7 o   94.624   7.4636   90.232   14.125      ?      ? 
1 1 1    0   32    8 o  217.943   2.9605  450.551   12.454 -43.17036 5.920913 
1 1 1    0   32    9 o  251.650   3.1868  635.034   16.030 9.408554 6.373610 
1 1 1    0   32   10 o  143.779   4.0841  209.853   11.661 13.72256 8.168143 
1 1 1    0   32   11 o   87.221   6.3326   77.610   11.007 -10.45515 12.66526 
1 1 1    0   32   12 o  164.758   3.7190  273.700   12.253 0.8532867 7.438014 
1 1 1    0   32   13 o   33.259   9.6960   0.8325   11.127 -12.76840 19.39196 
1 1 1    0   32   14 o  120.839   4.9171  147.134   11.866 -8.879761 9.834213 
1 1 1    0   32   15 o   58.242   8.9185   34.930   12.233 49.10938 17.83696 
1 1 1    0   32   16 f   60.380   10.672   41.274   12.968 -11.31580 21.34346 
1 1 1    0   32   17 o  166.878   4.5331  281.704   15.083 -0.5206604 9.066205 
1 1 1    0   32   18 o  196.792   4.1560  390.811   16.323 4.390854 8.312098 
1 1 1    0   32   19 o  198.948   4.1537  400.024   16.517 1.966553 8.307347 
1 1 1    0   32   20 o  103.482   7.1236  111.122   14.708 -5.952782 14.24721 
1 1 1    0   32   21 o   85.204   6.3056   64.477   7.8990 15.87052 12.61120 
1 1 1    0   32   22 o  108.440   5.5863  123.506   8.9571 -6.662247 11.17255 
1 1 1    0   32   23 o  138.438   4.3027  195.681   9.7591 -3.346710 8.605335 
1 1 1    0   33    3 o  171.895   3.4108  295.974   11.726      ?      ? 
1 1 1    0   33    4 o  155.028   3.9031  241.046   12.102      ?      ? 
1 1 1    0   33    6 o  124.090   5.2584  155.221   13.050      ?      ? 
1 1 1    0   33    7 f  100.761   6.4421  102.704   12.982      ?      ? 
1 1 1    0   33    9 o   83.884   5.7635   71.429   9.5955 -3.296326 11.52708 
1 1 1    0   33   10 f  175.602   3.4807  310.993   12.198 11.48680 6.961447 
1 1 1    0   33   11 o   92.571   5.6982   86.385   10.489 -14.07093 11.39643 
1 1 1    0   33   12 o  121.662   4.7102  150.805   11.331 19.61973 9.420348 
1 1 1    0   33   13 o  155.516   4.0504  244.510   12.591 -4.244110 8.100844 
1 1 1    0   33   14 o  152.270   4.1702  233.553   12.684 -9.082611 8.340358 
1 1 1    0   33   15 o   40.844   10.365   11.258   12.083 -20.44478 20.73050 
1 1 1    0   33   16 o  230.805   3.7253  536.765   17.188 5.990387 7.450595 
1 1 1    0   33   17 o  103.517   6.7238  111.310   13.773 -9.125542 13.44761 
1 1 1    0   33   18 o  218.509   3.9192  483.068   17.095 -4.423660 7.838422 
1 1 1    0   33   19 f  112.290   6.4333  131.669   14.163 -21.27457 12.86668 
1 1 1    0   33   20 o  160.333   4.6895  259.864   15.024 5.123245 9.378932 
1 1 1    0   33   21 o  130.970   5.5158  174.645   14.419 -4.820938 11.03169 
1 1 1    0   33   22 o  113.979   4.8524  134.861   7.7539 -2.636002 9.704775 
1 1 1    0   34    4 o  219.888   3.6138  485.287   15.893      ?      ? 
1 1 1    0   34    5 o  193.031   3.6269  373.854   14.002      ?      ? 
1 1 1    0   34    6 o  190.661   3.8971  364.732   14.860      ?      ? 
1 1 1    0   34    7 o  172.274   4.2726  297.854   14.721      ?      ? 
1 1 1    0   34    8 f  187.851   4.5588  354.465   17.128      ?      ? 
1 1 1    0   34    9 o  119.414   6.5445  144.529   15.630      ?      ? 
1 1 1    0   34   10 f  147.066   5.0883  218.240   14.966      ?      ? 
1 1 1    0   34   11 o  171.069   3.5167  295.114   12.006 5.311996 7.033432 
1 1 1    0   34   12 o  383.513   4.1195  1482.96   31.557 14.17117 8.238930 
1 1 1    0   34   13 o  161.678   4.0399  263.938   13.049 -10.32632 8.079831 
1 1 1    0   34   14 o  192.414   3.7597  373.177   14.462 5.884430 7.519370 
1 1 1    0   34   15 o   91.435   6.7610   86.329   12.357 2.850548 13.52204 
1 1 1    0   34   16 o  203.572   3.8337  418.229   15.595 -11.74519 7.667423 
1 1 1    0   34   17 o  327.376   3.9051  1078.53   25.489 13.72162 7.810192 
1 1 1    0   34   18 o   78.084   8.9485   66.320   13.199 -16.16157 17.89706 
1 1 1    0   34   19 o  230.227   3.7653  534.260   17.320 -1.677444 7.530553 
1 1 1    0   34   20 o   67.065   9.6822   51.199   12.797 26.64210 19.36440 
1 1 1    0   35    4 o  201.422   3.9092  407.915   15.748      ?      ? 
1 1 1    0   35    5 o  206.764   3.5703  429.225   14.764      ?      ? 
1 1 1    0   35    6 o   83.670   5.9883   70.701   10.021      ?      ? 
1 1 1    0   35    7 f  127.068   4.7889  162.489   12.170      ?      ? 
1 1 1    0   35    8 o  203.613   4.3368  416.959   17.660      ?      ? 
1 1 1    0   35    9 o  278.383   4.7628  780.455   26.518      ?      ? 
1 1 1    0   35   10 f  214.056   4.6114  461.154   19.742      ?      ? 
1 1 1    0   35   11 o   55.386   13.804   33.760   15.253      ?      ? 
1 1 1    0   35   12 o  207.632   5.0179  434.939   20.838      ?      ? 
1 1 1    0   35   13 o  155.782   4.1551  245.806   12.919 -4.007874 8.310158 
1 1 1    0   35   14 o  187.105   3.8483  352.438   14.364 6.135529 7.696582 
1 1 1    0   35   15 o  167.441   4.1848  283.246   13.985 1.498398 8.369573 
1 1 1    0   35   16 o  327.546   3.8723  1079.84   25.343 7.949036 7.744545 
1 1 1    0   35   17 o  130.081   5.0496  171.410   13.125 6.836014 10.09926 
1 1 1    0   35   18 o   58.269   10.253   44.059   12.053 14.23102 20.50657 
1 1 1    0   36    5 o  161.812   3.1884  262.649   10.318      ?      ? 
1 1 1    0   36    6 o  152.879   3.7097  234.747   11.343      ?      ? 
1 1 1    0   36    7 o  251.381   4.2085  635.721   21.159      ?      ? 
1 1 1    0   36    8 o  178.293   4.2283  319.907   15.078      ?      ? 
1 1 1    0   36    9 o   86.301   7.6290   75.950   13.168      ?      ? 
1 1 1    0   36   10 o  113.024   6.3959  129.359   14.458      ?      ? 
1 1 1    0   36   11 f  103.317   7.2594  108.563   15.000      ?      ? 
1 1 1    0   36   12 o  128.507   6.0368  166.961   15.515      ?      ? 
1 1 1    0   36   13 o  237.274   3.3956  564.964   16.075 7.570633 6.791138 
1 1 1    0   36   14 o   85.422   6.7385   75.240   11.404 -4.982864 13.47707 
1 1 1    0   36   15 o  143.275   4.3801  208.367   12.537 4.656113 8.760198 
1 1 1    0   37    6 o  206.628   3.5497  428.702   14.669      ?      ? 
1 1 1    0   37    7 o  117.721   4.3920  139.439   10.341      ?      ? 
1 1 1    0   37    8 o  175.557   3.9464  309.568   13.856      ?      ? 
1 1 1    0   37    9 f  123.538   5.0622  153.618   12.507      ?      ? 
1 1 1    0   37   10 o  285.873   4.6289  821.809   26.466      ?      ? 
1 1 1    0   37   11 o  144.625   5.1022  210.808   14.758      ?      ? 
1 1 1    0   37   12 o  115.688   6.0547  136.680   14.009      ?      ? 
1 1 1    0   38    7 o   91.058   4.5764   83.687   8.3343      ?      ? 
1 1 1    0   38    8 o   37.171   11.198   17.004   9.0074      ?      ? 
1 1 1    1    0    4 o  658.388   6.3698  4339.50   83.815 -0.000000 0.000000 
1 1 1    1    0    5 o   53.108   3.2358   28.859   3.3845 -0.000000 0.000000 
1 1 1    1    0    6 o  303.011   3.0272  918.838   18.337 -0.000000 0.000000 
1 1 1    1    0    7 o   13.627   6.2845  -3.2617   4.4079 -0.000000 0.000000 
1 1 1    1    0    8 o  736.797   7.1458  5435.59  105.241 -0.000000 0.000000 
1 1 1    1    0    9 o  845.662   8.1956  7158.33  138.473 -0.000000 0.000000 
1 1 1    1    0   10 o  247.682   2.8588  613.838   14.149 -0.000000 0.000000 
1 1 1    1    0   11 o  229.828   2.8075  528.423   12.890 -0.000000 0.000000 
1 1 1    1    0   12 o  259.819   2.9770  675.754   15.457 -0.000000 0.000000 
1 1 1    1    0   13 o  181.281   2.9535  329.036   10.688 -0.000000 0.000000 
1 1 1    1    0   14 f  132.042   3.6753  175.283   9.6650 -0.000000 0.000000 
1 1 1    1    0   15 o  276.335   3.3007  764.634   18.230 -0.000000 0.000000 
1 1 1    1    0   16 o  439.433   4.5051  1933.44   39.572 -0.000000 0.000000 
1 1 1    1    0   18 o  496.874   5.0537  2471.75   50.192 -0.000000 0.000000 
1 1 1    1    0   19 o  446.591   4.6833  1996.38   41.804 -0.000000 0.000000 
1 1 1    1    0   20 o  420.021   4.5669  1764.51   38.323 -0.000000 0.000000 
1 1 1    1    0   21 o  316.541   4.1411  1003.91   26.181 -0.000000 0.000000 
1 1 1    1    0   24 o  222.167   4.8334  496.108   21.382 -0.000000 0.000000 
1 1 1    1    0   25 o  180.630   5.5965  328.769   20.090 -0.000000 0.000000 
1 1 1    1    0   26 o  213.748   4.8967  458.500   20.842 -0.000000 0.000000 
1 1 1    1    0   27 o  108.756   9.2194  125.746   18.867 -0.000000 0.000000 
1 1 1    1    0   28 o  503.263   5.3678  2538.20   53.973 -0.000000 0.000000 
1 1 1    1    0   29 o   99.657   9.2390  103.857   17.766 -0.000000 0.000000 
1 1 1    1    0   30 o  127.619   7.0070  168.337   17.322 -0.000000 0.000000 
1 1 1    1    0   31 o   25.029   11.901  -6.5338   16.149 -0.000000 0.000000 
1 1 1    1    0   32 o  230.324   4.3987  535.845   20.123 -0.000000 0.000000 
1 1 1    1    0   34 o  145.968   6.1104  221.148   17.318 -0.000000 0.000000 
1 1 1    1    0   35 o  110.737   8.0293  132.909   16.526 -0.000000 0.000000 
1 1 1    1    0   37 o   16.443   8.5510 -46.5528   15.888 -0.000000 0.000000 
1 1 1    1    0   38 o  190.174   5.0853  366.298   18.893 -0.000000 0.000000 
1 1 1    1    0   39 o   93.486   10.709   97.410   17.211 -0.000000 0.000000 
1 1 1    1    0   40 o  107.599   8.7082  122.677   17.589 -0.000000 0.000000 
1 1 1    1    0   41 o   30.049   13.274   7.4659   16.297 -0.000000 0.000000 
1 1 1    1    0   42 o   45.020   14.826   32.131   15.326 -0.000000 0.000000 
1 1 1    1    1    4 o  207.487   1.5197  430.362   6.3046 -3.676849 3.039447 
1 1 1    1    1    5 o  507.513   3.4817  2575.11   35.318 10.65167 6.963304 
1 1 1    1    1    6 o  230.741   1.7204  530.912   7.9221 9.852036 3.440801 
1 1 1    1    1    7 o  317.310   2.2530  1005.79   14.283 8.311279 4.506033 
1 1 1    1    1    8 o  669.711   4.5933  4485.60   61.493 12.59161 9.186624 
1 1 1    1    1    9 o  217.402   1.8269  472.327   7.9365 3.848358 3.653717 
1 1 1    1    1   10 o  536.625   3.7137  2880.35   39.846 -8.146667 7.427435 
1 1 1    1    1   11 o  304.504   2.2825  927.534   13.901 0.5549927 4.564972 
1 1 1    1    1   12 o  172.669   1.9971  298.167   6.8960 -3.450089 3.994264 
1 1 1    1    1   13 o  542.900   3.7760  2951.15   41.000 -1.115845 7.551993 
1 1 1    1    1   14 o  245.852   2.1579  604.715   10.610 -0.8755798 4.315753 
1 1 1    1    1   15 o  515.617   3.6231  2661.59   37.362 -0.7192383 7.246128 
1 1 1    1    1   16 o  314.420   2.5176  988.634   15.827 -5.206573 5.035237 
1 1 1    1    1   17 o  430.484   3.1479  1854.21   27.102 1.820618 6.295894 
1 1 1    1    1   18 o   73.443   6.0362   54.245   8.7826 12.59653 12.07233 
1 1 1    1    1   19 o  182.435   3.0235  332.813   11.026 -8.467636 6.047046 
1 1 1    1    1   20 o  175.105   3.2863  306.762   11.507 -0.2998047 6.572594 
1 1 1    1    1   21 o  523.807   3.8117  2745.71   39.932 -0.9613037E-01 7.623492 
1 1 1    1    1   23 o  211.106   4.8129  445.914   20.321      ?      ? 
1 1 1    1    1   24 o  272.605   3.1369  743.600   17.102 0.6221313 6.273824 
1 1 1    1    1   25 o  156.463   4.4038  244.976   13.775 5.903625 8.807615 
1 1 1    1    1   26 o  438.271   3.4468  1922.81   30.212 2.166290 6.893692 
1 1 1    1    1   27 o  393.685   3.2811  1551.68   25.834 3.213348 6.562290 
1 1 1    1    1   28 o  181.481   3.8455  329.761   13.953 -5.991531 7.690920 
1 1 1    1    1   29 o  196.408   3.5431  386.703   13.915 4.135986 7.086186 
1 1 1    1    1   30 f  318.415   3.0269  1015.70   19.276 0.5111389 6.053821 
1 1 1    1    1   31 o   36.225   10.296   6.6314   11.418 1.751961 20.59212 
1 1 1    1    1   32 o   55.922   10.030   33.445   11.391 12.53588 20.06035 
1 1 1    1    1   33 o  264.126   4.4085  698.559   23.288      ?      ? 
1 1 1    1    1   35 o  286.658   2.9647  825.227   16.996 -3.503632 5.929368 
1 1 1    1    1   36 o  124.580   4.6787  155.759   11.651 -5.155716 9.357321 
1 1 1    1    1   37 o  112.009   5.1516  127.466   11.538 -1.193298 10.30318 
1 1 1    1    1   38 o   38.847   10.637   10.783   11.826 -4.299126 21.27454 
1 1 1    1    1   39 o  146.340   4.2883  216.687   12.539 -2.874847 8.576598 
1 1 1    1    1   40 o   69.025   9.1453   51.806   12.163 -2.179047 18.29054 
1 1 1    1    1   41 o   38.145   10.438   10.464   11.544 7.024406 20.87595 
1 1 1    1    1   42 o   59.784   9.1656   40.046   10.835 -17.52317 18.33129 
1 1 1    1    2    1 o   6.9629   3.4794  -5.5944   2.0193      ?      ? 
1 1 1    1    2    3 o  157.276   1.7314  247.373   5.4461      ?      ? 
1 1 1    1    2    4 o  311.630   2.1677  971.340   13.510 0.2489624 4.335427 
1 1 1    1    2    5 o  480.498   3.2991  2309.72   31.703 3.178223 6.598248 
1 1 1    1    2    6 o  331.431   2.3238  1098.68   15.403 1.515106 4.647595 
1 1 1    1    2    7 f  424.823   2.9455  1805.06   25.024 -4.211182 5.890985 
1 1 1    1    2    8 o  485.047   3.3531  2353.57   32.527 -1.588898 6.706113 
1 1 1    1    2    9 o  811.278   5.5571  6589.10   90.167 1.490845 11.11427 
1 1 1    1    2   10 o  364.796   2.6116  1331.04   19.052 -3.055695 5.223116 
1 1 1    1    2   11 f  269.720   2.1156  727.516   11.410 3.481445 4.231202 
1 1 1    1    2   12 o  167.582   2.0311  280.927   6.8076 -0.8675537 4.062281 
1 1 1    1    2   13 f  257.389   2.1455  662.705   11.043 1.328674 4.291021 
1 1 1    1    2   14 o  175.741   2.2001  309.026   7.7319 -1.981613 4.400138 
1 1 1    1    2   15 o  320.383   2.4895  1026.83   15.950 3.488464 4.979041 
1 1 1    1    2   16 o  170.978   2.5146  292.191   8.5933 -8.477539 5.029142 
1 1 1    1    2   17 o  553.419   3.8978  3065.24   43.139 3.378235 7.795562 
1 1 1    1    2   18 o  302.234   3.7251  913.788   22.517      ?      ? 
1 1 1    1    2   19 o  253.796   2.7223  644.269   13.817 -3.974228 5.444565 
1 1 1    1    2   20 f  693.575   4.8466  4814.79   67.219 -7.594910 9.693165 
1 1 1    1    2   21 f  446.024   3.3824  1989.78   30.165 -6.575195 6.764873 
1 1 1    1    2   22 o  148.268   4.4921  221.472   13.142 -29.79218 8.984268 
1 1 1    1    2   23 o  327.026   4.3117  1069.96   28.201      ?      ? 
1 1 1    1    2   24 o  103.595   6.4403  108.382   13.160 -20.78374 12.88069 
1 1 1    1    2   25 o  137.100   4.9170  188.246   13.480 3.520126 9.834023 
1 1 1    1    2   26 o  321.413   3.0886  1033.98   19.854 -0.8251343 6.177213 
1 1 1    1    2   27 o  408.907   3.3328  1674.12   27.255 -1.959076 6.665506 
1 1 1    1    2   28 o  296.421   3.0810  879.677   18.265 1.334869 6.161937 
1 1 1    1    2   29 o  276.733   3.0487  767.034   16.872 -4.328888 6.097324 
1 1 1    1    2   30 o  106.615   5.7086  114.406   12.171 2.331490 11.41728 
1 1 1    1    2   31 o   51.976   10.371   28.333   11.515 12.78156 20.74269 
1 1 1    1    2   32 o   35.354   10.226   5.1449   11.496 -0.7404327E-01 20.45201 
1 1 1    1    2   34 o  194.830   3.3503  381.272   13.052 2.434692 6.700650 
1 1 1    1    2   35 o  125.657   4.7272  159.843   11.879 2.657753 9.454323 
1 1 1    1    2   37 o   47.217   10.688   23.665   11.419 -3.422291 21.37537 
1 1 1    1    2   38 f   52.898   15.323   30.383   17.144      ?      ? 
1 1 1    1    2   39 o  104.294   5.8627  111.408   12.187 -5.245201 11.72548 
1 1 1    1    2   40 o  135.894   4.6538  187.503   12.648 -0.2690125E-01 9.307674 
1 1 1    1    2   41 o   91.973   6.5431   87.504   11.904 -15.01839 13.08628 
1 1 1    1    2   42 o   51.639   10.264   29.926   11.068 -4.986233 20.52789 
1 1 1    1    3    0 o  517.040   7.1153  2676.39   73.578      ?      ? 
1 1 1    1    3    1 o  379.807   5.2268  1443.43   39.704      ?      ? 
1 1 1    1    3    2 o  400.229   3.8947  1602.39   31.175      ?      ? 
1 1 1    1    3    3 o  371.902   3.6218  1383.52   26.939      ?      ? 
1 1 1    1    3    4 o  414.559   2.8531  1719.21   23.656 0.6112976 5.706268 
1 1 1    1    3    5 o  210.556   1.5831  442.326   6.6561 8.619003 3.166204 
1 1 1    1    3    6 o  336.445   2.3580  1132.20   15.866 -0.6868896 4.715909 
1 1 1    1    3    7 o  415.503   2.8883  1726.86   24.001 1.981049 5.776593 
1 1 1    1    3    8 o  476.932   3.3050  2274.94   31.520 5.809082 6.610051 
1 1 1    1    3    9 o  304.829   2.2551  929.338   13.748 2.390625 4.510293 
1 1 1    1    3   10 o  501.777   3.4838  2519.38   34.962 -1.541870 6.967657 
1 1 1    1    3   11 o  151.594   2.0154  229.877   6.1104 -0.7881165E-01 4.030772 
1 1 1    1    3   12 o  279.513   2.1938  780.667   12.255 8.329803 4.387629 
1 1 1    1    3   13 o  262.974   2.1702  691.848   11.414 -0.5058289 4.340436 
1 1 1    1    3   14 o  281.949   2.2859  795.287   12.890 -3.080353 4.571820 
1 1 1    1    3   15 o   30.307   7.6407   4.2775   6.9010 -17.11836 15.28131 
1 1 1    1    3   16 o  323.575   3.6495  1047.49   23.618      ?      ? 
1 1 1    1    3   17 o  297.383   2.5466  884.558   15.145 2.860779 5.093231 
1 1 1    1    3   18 o  204.523   2.7320  418.704   11.168 -5.776199 5.463952 
1 1 1    1    3   19 o  565.667   4.0211  3201.34   45.485 6.834351 8.042283 
1 1 1    1    3   21 o  533.269   3.8801  2845.72   41.380 2.219116 7.760252 
1 1 1    1    3   22 o  387.984   4.5986  1506.13   35.684      ?      ? 
1 1 1    1    3   23 o  158.968   5.9258  252.951   18.840      ?      ? 
1 1 1    1    3   24 o  310.296   3.0799  963.440   19.113 -1.649902 6.159711 
1 1 1    1    3   25 o  422.851   3.3686  1789.62   28.488 -1.476624 6.737163 
1 1 1    1    3   26 o  149.429   4.4524  224.364   13.252 -15.15047 8.904763 
1 1 1    1    3   27 o  168.740   4.0116  285.230   13.537 1.327454 8.023199 
1 1 1    1    3   28 o  103.573   6.1658  107.952   12.749 -6.342743 12.33151 
1 1 1    1    3   29 o  136.863   4.6505  188.069   12.728 1.493301 9.301013 
1 1 1    1    3   30 o   22.045   7.6659 -34.8114   11.830 1.585028 15.33187 
1 1 1    1    3   31 o  209.181   3.2470  438.756   13.583 2.864929 6.494052 
1 1 1    1    3   32 o  115.479   5.1891  134.951   11.943 -6.883553 10.37822 
1 1 1    1    3   33 o  242.788   4.6397  590.203   22.529      ?      ? 
1 1 1    1    3   34 o  138.454   4.3044  193.049   11.908 -8.168304 8.608712 
1 1 1    1    3   35 o   21.073   7.3561 -33.9050   11.209 -3.072544 14.71225 
1 1 1    1    3   36 o  303.628   4.1419  924.232   25.152      ?      ? 
1 1 1    1    3   37 o  139.986   6.2217  198.295   17.419      ?      ? 
1 1 1    1    3   38 o  224.508   3.2958  506.931   14.793 4.962784 6.591547 
1 1 1    1    3   39 o   28.215   9.0733 -13.0519   11.889 -9.402016 18.14656 
1 1 1    1    3   40 o   94.643   6.4775   92.383   12.239 -5.825691 12.95501 
1 1 1    1    3   41 o   86.963   6.7231   77.494   11.675 -6.807671 13.44629 
1 1 1    1    3   42 o   86.297   6.3375   76.938   10.843 -6.859909 12.67492 
1 1 1    1    4    0 o  416.378   5.7685  1735.01   48.038      ?      ? 
1 1 1    1    4    1 o  469.691   4.5551  2204.26   42.729 -14.84183 9.110136 
1 1 1    1    4    2 f  590.816   5.7533  3493.23   67.982      ?      ? 
1 1 1    1    4    3 o  866.334   8.3980  7517.12  145.510      ?      ? 
1 1 1    1    4    4 o  307.278   2.1497  944.367   13.211 0.9394531 4.299423 
1 1 1    1    4    5 o  427.411   2.9488  1826.32   25.195 -8.251801 5.897641 
1 1 1    1    4    6 o  405.188   2.8115  1640.04   22.760 -11.51285 5.622921 
1 1 1    1    4    7 o  108.612   1.8166  118.147   3.9397 6.441887 3.633253 
1 1 1    1    4    8 o  654.139   4.4910  4281.13   58.745 -7.276550 8.982025 
1 1 1    1    4    9 o  335.563   2.4190  1126.23   16.234 2.678894 4.838053 
1 1 1    1    4   10 o  203.757   1.8672  413.972   7.5968 11.74432 3.734366 
1 1 1    1    4   11 o  138.437   2.0957  191.676   5.8006 -1.013611 4.191448 
1 1 1    1    4   12 o  280.603   2.2089  787.635   12.396 2.569977 4.417823 
1 1 1    1    4   13 o  143.597   2.2989  206.271   6.6011 3.644012 4.597744 
1 1 1    1    4   14 o  130.954   2.5977  171.246   6.7930 10.25827 5.195370 
1 1 1    1    4   15 o  446.762   3.1975  1997.56   28.571 -0.7142639 6.395099 
1 1 1    1    4   16 o  351.652   3.8515  1237.19   27.087      ?      ? 
1 1 1    1    4   17 f  116.368   3.6409  135.464   8.4700 1.415955 7.281738 
1 1 1    1    4   18 o  379.857   2.9468  1443.30   22.384 4.042419 5.893523 
1 1 1    1    4   19 o  141.458   3.8699  200.036   10.942 6.406250 7.739843 
1 1 1    1    4   20 o  350.299   2.9223  1227.50   20.472 2.184479 5.844670 
1 1 1    1    4   21 o  305.028   2.9385  931.223   17.918 -6.633270 5.876951 
1 1 1    1    4   22 o  197.542   5.0135  390.475   19.807      ?      ? 
1 1 1    1    4   23 o  271.974   3.1678  739.153   17.209 6.796051 6.335684 
1 1 1    1    4   24 o  250.852   4.3971  629.653   22.061      ?      ? 
1 1 1    1    4   25 o  294.828   3.1028  869.955   18.294 -5.292084 6.205564 
1 1 1    1    4   26 o  403.526   3.2965  1630.08   26.604 -0.4687195 6.593002 
1 1 1    1    4   27 o  228.709   3.2928  523.441   15.056 8.842453 6.585532 
1 1 1    1    4   28 o  158.556   4.2017  252.425   13.286 -13.84558 8.403384 
1 1 1    1    4   29 o   49.647   10.882   24.990   12.112 -9.043171 21.76333 
1 1 1    1    4   30 o  130.585   4.7141  171.127   12.302 7.164513 9.428167 
1 1 1    1    4   31 o   85.869   6.8263   74.571   11.711 4.470833 13.65267 
1 1 1    1    4   32 o   30.524   9.5834  -5.7586   11.849 -3.267521 19.16683 
1 1 1    1    4   34 o   28.790   9.0692 -11.1629   11.465 -11.15548 18.13849 
1 1 1    1    4   35 o   21.885   10.738 -29.4926   16.032      ?      ? 
1 1 1    1    4   36 o   52.532   14.570   29.731   15.833      ?      ? 
1 1 1    1    4   38 o   75.659   8.0354   59.673   12.119 8.607529 16.07090 
1 1 1    1    4   39 o  116.390   5.3210  137.437   12.359 10.71438 10.64207 
1 1 1    1    4   40 o   55.775   10.512   34.439   12.044 10.48825 21.02354 
1 1 1    1    4   41 o   56.425   9.9800   34.621   11.606 -20.27297 19.95995 
1 1 1    1    4   42 o   38.329   11.360   11.294   14.805 -13.02794 22.71965 
1 1 1    1    5    0 o  185.127   2.6542  342.772   9.8273      ?      ? 
1 1 1    1    5    1 o  650.303   5.5226  4233.71   68.388 -0.1908569 11.04524 
1 1 1    1    5    2 o  271.990   2.7244  739.906   14.820      ?      ? 
1 1 1    1    5    3 o  676.034   6.5739  4574.40   88.883      ?      ? 
1 1 1    1    5    4 o  612.560   4.2052  3754.22   51.510 6.342102 8.410316 
1 1 1    1    5    5 o  605.980   4.1567  3674.43   50.377 -1.605957 8.313311 
1 1 1    1    5    6 o  661.599   4.5359  4379.95   60.016 -4.004944 9.071890 
1 1 1    1    5    7 o   82.959   2.1944   68.859   3.6373 -4.690742 4.388856 
1 1 1    1    5    8 o  138.967   1.7660  193.109   4.9078 -1.633362 3.531988 
1 1 1    1    5    9 o  290.629   2.1689  843.889   12.597 8.090088 4.337817 
1 1 1    1    5   10 o  382.175   2.7209  1460.86   20.792 5.604218 5.441748 
1 1 1    1    5   11 o  157.002   2.0158  246.591   6.3252 0.1649017 4.031517 
1 1 1    1    5   12 o  490.903   3.4341  2411.29   33.704 -7.907898 6.868236 
1 1 1    1    5   13 o  178.467   2.1154  318.347   7.5471 6.934738 4.230854 
1 1 1    1    5   14 o  222.407   2.1533  494.151   9.5691 -6.858810 4.306613 
1 1 1    1    5   15 o  268.541   2.3343  721.235   12.533 -2.836670 4.668655 
1 1 1    1    5   16 o  344.985   2.6922  1190.46   18.573 3.679169 5.384357 
1 1 1    1    5   17 o  450.274   3.2759  2028.57   29.500 2.021637 6.551781 
1 1 1    1    5   19 o  516.944   3.7374  2671.21   38.611 13.11014 7.474795 
1 1 1    1    5   20 f  373.097   3.0062  1391.57   22.420 8.265442 6.012397 
1 1 1    1    5   22 o  389.113   4.6210  1514.87   35.962      ?      ? 
1 1 1    1    5   23 o   90.586   7.2624   82.200   13.129 2.429642 14.52470 
1 1 1    1    5   24 o  464.589   3.5561  2159.79   33.039 -8.883850 7.112233 
1 1 1    1    5   25 o  172.697   3.9468  299.044   13.608 -4.698959 7.893636 
1 1 1    1    5   26 o  333.636   3.1288  1114.38   20.874 -2.162903 6.257563 
1 1 1    1    5   27 o  257.225   3.1772  662.509   16.329 -0.4467773 6.354410 
1 1 1    1    5   28 o  148.736   6.0284  221.770   17.933      ?      ? 
1 1 1    1    5   29 o  113.957   5.4103  130.635   12.295 -0.1759491 10.82063 
1 1 1    1    5   30 o  236.536   3.0862  561.013   14.577 -2.568939 6.172373 
1 1 1    1    5   31 f  133.247   4.4808  178.873   11.911 -3.392761 8.961514 
1 1 1    1    5   32 o   65.669   13.680   46.336   17.375      ?      ? 
1 1 1    1    5   33 o   67.271   10.036   47.378   13.026 5.689590 20.07228 
1 1 1    1    5   34 o   32.792   9.8677   0.8609   11.390 -2.436567 19.73538 
1 1 1    1    5   36 o   74.751   11.240   57.847   16.804      ?      ? 
1 1 1    1    5   37 f   21.664   7.5604 -35.7376   11.804 2.560854 15.12073 
1 1 1    1    5   38 o   43.005   10.765   17.686   11.760 9.003426 21.53038 
1 1 1    1    5   39 o   53.102   10.654   30.714   11.889 8.556355 21.30775 
1 1 1    1    5   40 o   99.035   6.0566  100.803   11.950 -6.002197 12.11321 
1 1 1    1    5   41 o   70.260   8.5167   51.909   11.713 -3.924431 17.03343 
1 1 1    1    6    0 o  567.212   4.8540  3222.85   51.795 -1.448120 9.707935 
1 1 1    1    6    1 o  380.431   3.3182  1439.07   24.159 -7.857880 6.636348 
1 1 1    1    6    2 o  433.868   5.9790  1883.76   51.882      ?      ? 
1 1 1    1    6    3 o  557.333   5.4561  3107.96   60.818      ?      ? 
1 1 1    1    6    4 o  590.178   5.7424  3485.16   67.780      ?      ? 
1 1 1    1    6    5 o  210.729   1.6243  443.782   6.8425 -4.749268 3.248639 
1 1 1    1    6    6 o  165.153   1.5277  272.622   5.0444 3.682404 3.055342 
1 1 1    1    6    7 o  361.261   2.5445  1303.43   18.362 10.71527 5.088945 
1 1 1    1    6    8 o  215.041   1.7855  462.495   7.6790 0.3608856 3.571041 
1 1 1    1    6    9 o  283.685   2.1397  802.770   12.116 -12.12805 4.279305 
1 1 1    1    6   10 o  140.691   1.9970  197.977   5.6180 4.190475 3.994044 
1 1 1    1    6   11 o  381.990   2.7394  1458.34   20.908 -10.07578 5.478781 
1 1 1    1    6   12 o  337.419   2.5025  1138.97   16.886 4.362671 5.004972 
1 1 1    1    6   13 o  603.269   4.1817  3644.49   50.448 -5.629272 8.363437 
1 1 1    1    6   14 o  230.182   2.2003  529.741   10.120 -2.955353 4.400524 
1 1 1    1    6   16 o  176.610   2.6384  311.829   9.3097 -11.23006 5.276753 
1 1 1    1    6   17 o  302.839   2.5960  916.463   15.713 -8.320099 5.192094 
1 1 1    1    6   18 o  399.900   3.0430  1598.50   24.323 -9.316589 6.085985 
1 1 1    1    6   19 o  477.420   3.4928  2279.67   33.341 -7.699524 6.985589 
1 1 1    1    6   20 o  202.739   3.0819  411.223   12.496 0.3027344E-01 6.163712 
1 1 1    1    6   21 o  287.713   4.2381  828.162   24.387      ?      ? 
1 1 1    1    6   23 o  252.756   4.3673  639.268   22.077      ?      ? 
1 1 1    1    6   24 o  128.829   7.0827  166.269   18.249      ?      ? 
1 1 1    1    6   25 o  111.148   5.7915  123.392   12.841 6.200218 11.58304 
1 1 1    1    6   26 o  342.223   3.1171  1172.55   21.326 -1.403290 6.234286 
1 1 1    1    6   27 o   45.196   10.584   16.792   12.731 -21.79030 21.16837 
1 1 1    1    6   28 o  200.676   4.7617  403.408   19.111      ?      ? 
1 1 1    1    6   29 o  126.067   4.9304  160.297   12.345 -4.819199 9.860726 
1 1 1    1    6   30 o  173.938   3.6581  303.028   12.667 2.679642 7.316197 
1 1 1    1    6   31 o   24.152   8.1944 -24.2332   11.299 6.675732 16.38880 
1 1 1    1    6   32 o   96.889   9.3826   95.396   18.181      ?      ? 
1 1 1    1    6   34 o   43.081   10.526   17.951   11.148 -5.379463 21.05172 
1 1 1    1    6   35 o   48.350   15.701   23.622   17.344      ?      ? 
1 1 1    1    6   37 o   89.000   6.7240   81.235   11.902 -7.459167 13.44804 
1 1 1    1    6   38 o   63.347   9.6211   43.604   11.817 6.513802 19.24217 
1 1 1    1    6   39 o   39.711   10.661   12.997   11.676 1.643211 21.32217 
1 1 1    1    6   40 o   46.521   10.803   22.745   11.650 -3.387909 21.60591 
1 1 1    1    6   41 o   96.682   6.1249   95.873   11.735 14.71439 12.24984 
1 1 1    1    7    0 o  568.930   4.8852  3245.40   52.341 -3.208008 9.770485 
1 1 1    1    7    1 o  724.453   7.0285  5256.90  101.826 -6.249084 14.05707 
1 1 1    1    7    2 o  706.315   6.8508  4993.62   96.725 -13.96527 13.70153 
1 1 1    1    7    3 o  406.273   4.0440  1651.04   32.859      ?      ? 
1 1 1    1    7    4 o  465.756   4.5618  2170.05   42.493      ?      ? 
1 1 1    1    7    5 o  186.250   1.5302  346.535   5.6965 -6.158157 3.060336 
1 1 1    1    7    6 o  201.171   1.6345  404.333   6.5723 5.506668 3.269099 
1 1 1    1    7    7 f  642.471   4.4157  4131.50   56.737 -3.633423 8.831467 
1 1 1    1    7    8 o  204.966   1.7804  419.990   7.2963 -4.471268 3.560707 
1 1 1    1    7    9 o  333.250   2.4220  1110.81   16.140 3.905548 4.844016 
1 1 1    1    7   10 o  224.949   1.9409  505.970   8.7302 4.524887 3.881858 
1 1 1    1    7   11 o  152.682   2.0759  233.207   6.3389 0.8456421 4.151745 
1 1 1    1    7   12 o  645.494   4.4611  4174.20   57.591 -1.784241 8.922177 
1 1 1    1    7   13 o  143.028   2.4546  204.805   7.0155 2.534866 4.909297 
1 1 1    1    7   14 o  308.573   2.4472  952.458   15.101 -2.908783 4.894341 
1 1 1    1    7   15 o  243.704   3.4000  594.129   16.572      ?      ? 
1 1 1    1    7   16 o  313.985   2.5797  986.214   16.197 0.1361084 5.159345 
1 1 1    1    7   17 f  116.998   3.8207  137.063   8.9238 -1.154289 7.641399 
1 1 1    1    7   18 o  274.576   2.6606  753.446   14.600 6.420074 5.321235 
1 1 1    1    7   21 o  244.924   3.1336  599.573   15.328 4.332001 6.267235 
1 1 1    1    7   22 o  153.352   4.3151  235.754   13.207 -4.021637 8.630219 
1 1 1    1    7   24 f  149.193   4.4691  222.507   13.322 7.198471 8.938128 
1 1 1    1    7   25 o  133.962   4.8591  179.587   12.994 3.048843 9.718205 
1 1 1    1    7   26 o  110.960   5.7097  123.262   12.653 5.627724 11.41940 
1 1 1    1    7   27 o   27.966   9.1863 -16.2674   12.473 3.112238 18.37259 
1 1 1    1    7   28 o   63.737   9.5526   42.004   12.105 23.04717 19.10514 
1 1 1    1    7   29 f  324.112   2.9988  1051.81   19.427 4.244507 5.997516 
1 1 1    1    7   30 o  213.498   3.2026  457.413   13.653 -3.853165 6.405237 
1 1 1    1    7   31 o  254.940   2.9619  651.476   15.085 1.231186 5.923778 
1 1 1    1    7   33 o  240.753   3.0250  582.161   14.527 2.036743 6.050089 
1 1 1    1    7   34 o   21.778   7.5503 -29.6832   11.019 1.859964 15.10052 
1 1 1    1    7   35 o  225.257   4.5445  508.365   20.474      ?      ? 
1 1 1    1    7   36 o   33.306   9.7983   0.5368   11.567 -11.08919 19.59670 
1 1 1    1    7   37 o  107.018   5.6551  117.537   11.929 -12.48491 11.31026 
1 1 1    1    7   38 o  129.359   4.7343  168.675   12.164 4.246010 9.468624 
1 1 1    1    7   39 o   46.864   10.867   23.290   11.801 -3.438839 21.73378 
1 1 1    1    7   40 o   52.831   11.821   28.687   13.388 10.52844 23.64241 
1 1 1    1    7   41 o   82.583   7.0887   70.060   11.708 0.6062317 14.17735 
1 1 1    1    8    0 o  763.632   7.5220  5836.99  114.880      ?      ? 
1 1 1    1    8    1 o  669.134   6.4972  4478.85   86.872 -16.96765 12.99434 
1 1 1    1    8    2 o  277.453   2.8118  769.199   15.592 -7.396271 5.623632 
1 1 1    1    8    3 o  310.942   3.2329  967.031   20.105      ?      ? 
1 1 1    1    8    4 o  750.229   7.3514  5634.46  110.304      ?      ? 
1 1 1    1    8    5 o  394.621   3.8981  1557.80   30.766      ?      ? 
1 1 1    1    8    6 o  403.569   2.8168  1628.97   22.731 -4.832245 5.633546 
1 1 1    1    8    7 o  300.904   2.1844  904.530   13.133 -8.655579 4.368831 
1 1 1    1    8    8 f  325.524   2.3561  1060.10   15.339 1.338593 4.712202 
1 1 1    1    8    9 o  147.624   1.9177  218.000   5.6617 1.412048 3.835331 
1 1 1    1    8   10 o  150.395   2.0205  226.261   6.0773 1.476776 4.041004 
1 1 1    1    8   11 o  310.124   3.3156  962.259   20.565      ?      ? 
1 1 1    1    8   12 o  144.269   3.3030  208.234   9.5304      ?      ? 
1 1 1    1    8   13 o   91.827   3.5749   84.402   6.5584 5.673935 7.149730 
1 1 1    1    8   15 o  223.346   2.3602  498.686   10.539 5.269989 4.720305 
1 1 1    1    8   16 f  147.230   3.0035  217.119   8.8336 -6.483109 6.006921 
1 1 1    1    8   18 o  419.805   3.1724  1762.24   26.625 7.606750 6.344843 
1 1 1    1    8   19 o   72.465   7.5183   54.631   10.293 20.68456 15.03655 
1 1 1    1    8   20 o  695.476   4.8766  4842.55   67.830 1.435364 9.753133 
1 1 1    1    8   21 o  371.068   4.3910  1377.55   32.587      ?      ? 
1 1 1    1    8   22 o  301.863   3.0147  911.444   18.195 4.331726 6.029359 
1 1 1    1    8   23 o  249.116   4.5230  621.008   22.535      ?      ? 
1 1 1    1    8   24 o  571.573   4.1349  3271.48   47.264 2.801392 8.269742 
1 1 1    1    8   25 o  297.485   3.0254  884.851   17.977 5.905792 6.050886 
1 1 1    1    8   26 o  164.405   3.9470  270.393   12.931 2.752075 7.894007 
1 1 1    1    8   27 o  159.918   4.0406  255.781   12.909 6.492981 8.081132 
1 1 1    1    8   28 o  131.377   4.6592  173.129   12.234 5.841965 9.318338 
1 1 1    1    8   29 o  303.795   2.9438  924.563   17.884 1.082031 5.887506 
1 1 1    1    8   30 o  159.871   3.8622  257.352   12.316 -8.989975 7.724401 
1 1 1    1    8   31 o  183.812   3.4446  339.092   12.658 1.767075 6.889208 
1 1 1    1    8   32 o  276.487   3.0037  745.952   16.388 58.06088 6.007442 
1 1 1    1    8   33 f  163.213   3.6428  267.779   11.890 -0.2577362 7.285500 
1 1 1    1    8   34 o   21.436   7.4409 -30.5124   11.042 -0.4323959E-01 14.88171 
1 1 1    1    8   36 f   30.867   9.5614  -3.3132   11.454 5.895590 19.12276 
1 1 1    1    8   37 o   44.055   9.4671   11.760   11.670 34.76189 18.93411 
1 1 1    1    8   38 o   30.673   9.5621  -4.0578   11.700 -4.099710 19.12423 
1 1 1    1    8   39 f   36.758   11.015   0.1505   13.144 16.05955 22.03094 
1 1 1    1    8   40 o   57.755   10.442   37.020   12.056 -0.5081139 20.88362 
1 1 1    1    8   41 o  182.485   3.6316  335.703   13.241 1.652786 7.263142 
1 1 1    1    9    0 o  266.380   2.3620  700.229   11.638 9.244507 4.723993 
1 1 1    1    9    1 o  653.187   6.3514  4270.46   82.918 -13.81537 12.70271 
1 1 1    1    9    2 o  215.676   2.3386  463.068   10.055 -12.31149 4.677206 
1 1 1    1    9    3 o  315.539   3.1695  996.125   20.002 -0.7259216 6.338969 
1 1 1    1    9    4 f  298.568   3.0503  891.656   18.214      ?      ? 
1 1 1    1    9    5 o  189.489   2.2274  359.119   8.4412      ?      ? 
1 1 1    1    9    6 o  318.799   2.2806  1016.72   14.541 0.6433105E-01 4.561122 
1 1 1    1    9    7 o  270.342   2.0181  728.833   10.890 12.87189 4.036229 
1 1 1    1    9    8 o  290.105   2.1576  841.898   12.518 2.498810 4.315282 
1 1 1    1    9    9 o  484.590   3.3785  2350.34   32.740 4.760864 6.757074 
1 1 1    1    9   10 o  197.902   1.9398  391.475   7.6737 4.821045 3.879509 
1 1 1    1    9   11 f  528.805   3.6831  2799.70   38.953 -0.1489868 7.366148 
1 1 1    1    9   12 o  301.122   2.3637  906.536   14.229 6.638550 4.727359 
1 1 1    1    9   13 o  141.249   2.5785  199.928   7.2723 -6.307922 5.156982 
1 1 1    1    9   14 o  227.065   3.2075  515.744   14.566      ?      ? 
1 1 1    1    9   15 o   78.903   5.0078   62.423   7.8852 -1.822144 10.01560 
1 1 1    1    9   16 f   88.195   6.6901   77.868   11.801      ?      ? 
1 1 1    1    9   17 o  400.854   3.0688  1607.49   24.602 -2.591614 6.137523 
1 1 1    1    9   18 o  291.741   2.7044  851.374   15.778 5.028564 5.408722 
1 1 1    1    9   19 o  597.265   4.2376  3570.22   50.618 3.727783 8.475220 
1 1 1    1    9   20 o  412.818   3.2645  1705.06   26.953 1.916168 6.529074 
1 1 1    1    9   21 o   97.155   9.2882   94.608   18.048      ?      ? 
1 1 1    1    9   22 o  164.023   3.9494  269.430   12.936 -1.406082 7.898751 
1 1 1    1    9   23 o  316.736   3.0420  1003.83   19.260 0.8009033 6.084043 
1 1 1    1    9   24 o  203.342   3.4772  413.527   14.103 2.588165 6.954412 
1 1 1    1    9   25 o  287.566   3.0477  827.467   17.495 1.755310 6.095477 
1 1 1    1    9   26 o  128.690   4.9405  167.717   12.581 -11.48959 9.881032 
1 1 1    1    9   27 o   79.044   7.7006   63.093   12.134 -0.8976517 15.40124 
1 1 1    1    9   28 o  219.606   3.1506  483.118   13.827 0.8554230 6.301147 
1 1 1    1    9   29 o   44.738   10.557   19.086   11.210 7.976849 21.11318 
1 1 1    1    9   30 o   83.488   6.7862   71.326   11.216 -8.519051 13.57243 
1 1 1    1    9   31 o   20.239   10.096 -43.2349   16.649      ?      ? 
1 1 1    1    9   33 o   89.987   6.1949   82.282   11.055 15.47335 12.38987 
1 1 1    1    9   34 o   37.289   10.139   8.7041   11.519 -13.39569 20.27753 
1 1 1    1    9   35 o   91.617   6.3209   86.626   11.385 -19.27473 12.64176 
1 1 1    1    9   36 o   51.502   10.125   29.008   11.326 -17.26212 20.24974 
1 1 1    1    9   37 o   28.060   9.0649  -9.1630   11.396 3.146839 18.12986 
1 1 1    1    9   38 o   49.333   10.543   25.731   11.585 13.72862 21.08592 
1 1 1    1    9   39 o   35.947   10.139   6.3766   11.664 -10.42450 20.27719 
1 1 1    1    9   40 o   59.137   10.029   38.217   11.721 5.864326 20.05896 
1 1 1    1    9   41 o  119.237   6.8777  151.486   16.144 -2.524933 13.75530 
1 1 1    1   10    0 o  806.965   7.9890  6534.18  128.905 -22.11218 15.97802 
1 1 1    1   10    1 o  411.331   4.0405  1687.70   33.147 -18.34946 8.080953 
1 1 1    1   10    2 o  582.305   5.6705  3397.27   66.030 5.851624 11.34109 
1 1 1    1   10    3 o  252.887   2.6659  639.590   13.479 3.727127 5.331708 
1 1 1    1   10    4 o  150.751   1.9732  227.291   5.9491      ?      ? 
1 1 1    1   10    5 o  197.887   2.2811  391.676   9.0279      ?      ? 
1 1 1    1   10    6 o  211.654   1.7105  448.100   7.2407 1.053818 3.421092 
1 1 1    1   10    7 o  204.856   1.7349  419.756   7.1078 1.150864 3.469716 
1 1 1    1   10    8 o  215.852   2.5994  466.067   11.222      ?      ? 
1 1 1    1   10    9 o  308.617   2.2945  952.664   14.160 3.669891 4.589050 
1 1 1    1   10   10 o  221.887   1.9944  492.439   8.8489 1.524231 3.988770 
1 1 1    1   10   11 o  565.156   3.9268  3197.96   44.386 -0.2139282 7.853680 
1 1 1    1   10   12 o  128.632   2.6416  165.538   6.7948 0.2416687 5.283106 
1 1 1    1   10   13 o   58.768   7.8437   34.601   9.2192      ?      ? 
1 1 1    1   10   14 o  321.402   2.5542  1033.09   16.414 3.502136 5.108418 
1 1 1    1   10   15 o  319.125   2.5968  1018.29   16.566 4.444183 5.193604 
1 1 1    1   10   16 o  439.340   3.2339  1930.84   28.412 3.268463 6.467891 
1 1 1    1   10   17 o  156.354   3.3116  244.697   10.345 -1.602158 6.623202 
1 1 1    1   10   18 o  314.017   2.7840  986.511   17.483 4.863525 5.568086 
1 1 1    1   10   19 f  398.849   3.1491  1591.57   25.120 2.105072 6.298235 
1 1 1    1   10   20 o  603.062   4.3079  3638.83   51.946 -8.770569 8.615870 
1 1 1    1   10   21 o  537.365   3.9146  2890.52   42.069 2.493591 7.829176 
1 1 1    1   10   22 o  201.159   4.6200  404.933   18.587      ?      ? 
1 1 1    1   10   23 o  182.403   3.6434  332.486   13.266 4.956757 7.286768 
1 1 1    1   10   24 o  152.556   4.2135  232.827   12.819 2.580566 8.426932 
1 1 1    1   10   25 o  213.534   3.3084  456.738   14.104 -1.469406 6.616747 
1 1 1    1   10   27 o   40.308   10.617   11.621   11.661 9.994926 21.23491 
1 1 1    1   10   28 o  254.160   2.9491  646.977   14.978 0.9092865 5.898249 
1 1 1    1   10   29 o   29.665   9.2865  -4.7033   10.890 1.381702 18.57300 
1 1 1    1   10   30 o  177.787   3.4291  317.517   12.168 -3.324783 6.858267 
1 1 1    1   10   32 o   97.083   5.9443   96.207   11.530 -3.150391 11.88863 
1 1 1    1   10   33 o  200.297   3.2417  401.332   12.948 9.902252 6.483316 
1 1 1    1   10   34 o  259.042   4.2096  672.291   21.809      ?      ? 
1 1 1    1   10   35 o  112.984   5.0309  129.705   11.344 -4.662796 10.06181 
1 1 1    1   10   36 o   79.675   8.3447   60.733   12.779 21.24361 16.68942 
1 1 1    1   10   37 o   65.581   8.9945   46.171   11.510 -8.369598 17.98907 
1 1 1    1   10   38 o   79.081   7.4479   64.501   11.766 3.839798 14.89585 
1 1 1    1   10   39 o   60.791   9.9073   40.335   11.801 7.544266 19.81464 
1 1 1    1   10   40 o   83.631   7.0829   71.484   11.718 16.93686 14.16579 
1 1 1    1   11    0 o  444.367   3.8641  1975.59   32.204 0.7486267 7.728122 
1 1 1    1   11    1 o  513.382   5.0196  2640.66   51.533 -4.879456 10.03920 
1 1 1    1   11    2 o  249.568   2.6304  619.903   13.082 14.95485 5.260808 
1 1 1    1   11    3 o  291.184   2.9899  846.894   17.385 9.580414 5.979769 
1 1 1    1   11    4 o  257.691   2.4605  664.960   12.205 -0.8414612 4.921055 
1 1 1    1   11    5 o  240.972   2.5923  580.851   12.493      ?      ? 
1 1 1    1   11    6 o  106.740   1.7431  113.965   3.7201 3.329323 3.486127 
1 1 1    1   11    7 o   79.309   2.4583   62.942   3.8982 -2.374962 4.916659 
1 1 1    1   11    8 o  172.650   1.7805  298.170   6.1479 -2.120789 3.561078 
1 1 1    1   11    9 f  283.659   2.7219  798.507   14.296 6.056458 5.443759 
1 1 1    1   11   11 o  323.835   2.4605  1049.13   15.936 0.1434326E-02 4.920941 
1 1 1    1   11   12 f  157.831   3.3019  249.190   10.423      ?      ? 
1 1 1    1   11   13 o  215.342   2.2879  462.405   9.8348 10.65923 4.575791 
1 1 1    1   11   14 o  239.762   2.3904  575.025   11.462 -0.4116821E-01 4.780756 
1 1 1    1   11   15 o  204.049   2.5935  416.690   10.578 -3.632141 5.187059 
1 1 1    1   11   16 o  450.656   3.3133  2027.34   29.811 16.39926 6.626518 
1 1 1    1   11   17 o  154.325   3.4171  238.737   10.527 -7.112427 6.834171 
1 1 1    1   11   18 o  188.398   3.2740  351.162   12.218 -36.79628 6.548028 
1 1 1    1   11   19 o  204.504   3.2708  418.496   13.375 5.376480 6.541654 
1 1 1    1   11   20 o  199.390   3.4039  397.862   13.572 -0.7685547 6.807860 
1 1 1    1   11   21 o   56.720   9.5144   33.266   12.343 -37.27716 19.02883 
1 1 1    1   11   22 o  347.764   3.0660  1209.91   21.314 3.049072 6.132048 
1 1 1    1   11   23 o  239.638   3.0903  574.792   14.799 -0.3330536 6.180522 
1 1 1    1   11   24 o  301.399   2.9785  908.805   17.947 5.506866 5.956930 
1 1 1    1   11   25 f  253.508   3.0429  642.698   15.417 7.257416 6.085716 
1 1 1    1   11   27 o  181.220   3.4659  329.311   12.538 -1.148438 6.931865 
1 1 1    1   11   28 f   76.367   7.2880   58.852   11.114 5.600372 14.57605 
1 1 1    1   11   29 o   97.325   5.6279   96.365   10.865 -10.67187 11.25585 
1 1 1    1   11   30 o   85.045   6.6729   74.614   11.160 -15.05586 13.34572 
1 1 1    1   11   32 o  163.855   3.6509  269.691   11.953 2.309097 7.301795 
1 1 1    1   11   33 o   32.639   9.7693   1.8799   11.170 -3.317278 19.53868 
1 1 1    1   11   35 o   30.051   9.3587  -3.6978   11.154 -3.815996 18.71733 
1 1 1    1   11   36 o   95.672   6.1036   92.421   11.643 8.602448 12.20724 
1 1 1    1   11   37 o   85.332   6.7900   74.530   11.554 2.719254 13.58004 
1 1 1    1   11   38 o   29.442   9.3577  -6.3835   11.609 -2.150763 18.71544 
1 1 1    1   11   39 f  122.909   4.9312  154.809   11.962 -8.387932 9.862377 
1 1 1    1   11   40 o  111.761   5.3290  127.520   11.815 -5.291603 10.65791 
1 1 1    1   12    0 o  496.216   4.2953  2486.61   40.523 -13.65536 8.590544 
1 1 1    1   12    1 o  414.414   3.6832  1720.12   29.747 -0.7928162 7.366360 
1 1 1    1   12    2 o  186.820   2.2818  349.177   8.5257 1.136261 4.563646 
1 1 1    1   12    3 o  371.371   3.6985  1380.62   27.467 -4.247925 7.397095 
1 1 1    1   12    4 o  319.255   3.2604  1019.03   20.802 -9.096771 6.520813 
1 1 1    1   12    5 o  236.091   2.3135  550.101   10.025 7.918427 4.626906 
1 1 1    1   12    6 o  126.634   2.2971  160.401   5.8180      ?      ? 
1 1 1    1   12    7 o  453.166   3.1742  2054.82   28.763 -5.903595 6.348447 
1 1 1    1   12    8 o  497.734   3.4727  2479.39   34.565 -5.166260 6.945425 
1 1 1    1   12   11 o  291.522   2.3235  850.125   13.547 -1.213074 4.646937 
1 1 1    1   12   12 o  485.014   3.4263  2352.50   33.222 -9.282318 6.852662 
1 1 1    1   12   13 o  443.181   3.1940  1965.08   28.310 1.470764 6.387920 
1 1 1    1   12   14 o  270.954   3.4783  734.359   18.849      ?      ? 
1 1 1    1   12   15 o  326.801   2.6948  1066.94   17.599 10.26392 5.389541 
1 1 1    1   12   16 f  452.088   3.3244  2044.74   30.056 -4.432495 6.648706 
1 1 1    1   12   17 o  452.772   3.3631  2051.16   30.455 -0.2393494 6.726293 
1 1 1    1   12   18 o  306.932   4.0534  942.470   24.882      ?      ? 
1 1 1    1   12   20 o  363.180   3.0729  1319.71   22.317 1.795135 6.145848 
1 1 1    1   12   21 o  356.858   3.0749  1273.42   21.932 6.574829 6.149805 
1 1 1    1   12   22 o  311.318   2.9630  969.410   18.438 4.480865 5.926018 
1 1 1    1   12   23 o  216.569   3.1915  469.034   13.811 4.784042 6.382966 
1 1 1    1   12   24 f  169.643   3.7616  288.478   12.752 -3.837555 7.523129 
1 1 1    1   12   25 o  131.006   4.6970  172.180   12.285 -1.167053 9.394085 
1 1 1    1   12   26 o   29.022   9.2516  -7.9019   11.320 0.7776546 18.50326 
1 1 1    1   12   27 o  112.996   4.9924  128.706   11.243 -5.908630 9.984769 
1 1 1    1   12   28 o   45.030   10.355   20.191   10.757 -4.489956 20.71022 
1 1 1    1   12   29 o   77.660   6.8620   61.099   10.654 1.876190 13.72403 
1 1 1    1   12   30 o  113.456   7.5788  129.842   17.197      ?      ? 
1 1 1    1   12   31 o   69.390   15.689   52.303   21.265      ?      ? 
1 1 1    1   12   32 o   21.914   7.5276 -25.7226   10.505 -3.075874 15.05521 
1 1 1    1   12   34 o  169.426   3.6746  289.544   12.432 -3.458649 7.349252 
1 1 1    1   12   35 o   22.755   7.8345 -30.3888   11.404 7.013968 15.66899 
1 1 1    1   12   36 o   23.755   8.0969 -23.8149   11.361 5.008356 16.19376 
1 1 1    1   12   37 o   76.876   7.5398   61.443   11.438 -2.572113 15.07965 
1 1 1    1   12   38 o   49.760   10.559   27.604   11.678 -11.05059 21.11851 
1 1 1    1   12   39 o   90.725   6.4855   83.755   11.727 7.797333 12.97104 
1 1 1    1   12   40 o   97.393   5.9447   98.330   11.548 -6.494995 11.88942 
1 1 1    1   13    0 o  243.753   2.2272  587.942   10.123 7.220840 4.454480 
1 1 1    1   13    1 f  391.449   3.4833  1535.58   26.566 -1.856293 6.966686 
1 1 1    1   13    2 o  497.856   4.8813  2478.22   48.515 -18.18747 9.762592 
1 1 1    1   13    3 o  401.737   3.9842  1616.12   32.010 -2.551208 7.968401 
1 1 1    1   13    4 o  175.010   2.5006  306.445   8.7521 0.5113220 5.001165 
1 1 1    1   13    5 o  331.258   3.0171  1093.26   19.085 4.863586 6.034115 
1 1 1    1   13    6 o  252.267   2.7686  636.586   13.968      ?      ? 
1 1 1    1   13    7 o  333.405   3.4276  1112.08   22.856      ?      ? 
1 1 1    1   13    8 o  987.326   6.8166  9779.53  134.604 -0.1519165 13.63323 
1 1 1    1   13    9 o  494.379   3.4659  2444.82   34.257 -8.050354 6.931757 
1 1 1    1   13   10 o  272.764   2.1973  744.095   11.985 -2.341217 4.394653 
1 1 1    1   13   12 o  254.776   3.2424  649.277   16.521      ?      ? 
1 1 1    1   13   13 o  276.823   3.4340  766.514   19.012      ?      ? 
1 1 1    1   13   14 o  426.992   3.1459  1823.93   26.864 -3.273651 6.291736 
1 1 1    1   13   15 o  490.766   3.5236  2409.98   34.586 0.4028625 7.047290 
1 1 1    1   13   16 o  376.252   3.6547  1411.35   25.724 3.825104 7.309393 
1 1 1    1   13   17 o  291.395   2.8155  844.192   16.357 25.39029 5.630965 
1 1 1    1   13   18 o  223.940   4.1840  501.702   18.739      ?      ? 
1 1 1    1   13   19 o  227.887   3.0659  520.005   13.964 -5.864243 6.131876 
1 1 1    1   13   20 o  649.459   4.5920  4223.64   59.645 2.058472 9.183916 
1 1 1    1   13   21 f  257.051   2.9695  661.298   15.259 -10.49135 5.939009 
1 1 1    1   13   22 o  118.442   5.0052  140.523   11.847 1.862953 10.01041 
1 1 1    1   13   23 o  314.135   2.9456  987.191   18.495 5.096802 5.891237 
1 1 1    1   13   24 o  238.895   3.0512  571.632   14.562 -2.662079 6.102457 
1 1 1    1   13   25 o  104.729   8.1949  110.247   17.165      ?      ? 
1 1 1    1   13   26 o  232.378   2.9523  540.661   13.708 2.415924 5.904676 
1 1 1    1   13   27 o  104.768   6.3491  111.379   12.339 -1.943184 12.69821 
1 1 1    1   13   28 o  169.852   3.4418  289.361   11.681 1.762375 6.883547 
1 1 1    1   13   29 o  105.295   5.3583  112.468   11.233 -6.727859 10.71669 
1 1 1    1   13   31 o  135.667   4.0778  185.377   11.058 -2.196274 8.155640 
1 1 1    1   13   32 o   27.198   8.7737  -8.9359   10.637 -1.513290 17.54746 
1 1 1    1   13   34 o   44.325   10.430   20.093   11.005 -7.296524 20.86094 
1 1 1    1   13   36 o   77.488   7.5133   60.546   11.482 17.83489 15.02661 
1 1 1    1   13   37 o  109.393   5.4831  121.582   11.886 1.766670 10.96611 
1 1 1    1   13   38 o   67.490   9.0033   49.479   11.702 -10.38621 18.00657 
1 1 1    1   13   39 o   86.423   6.9256   77.033   11.654 25.31510 13.85112 
1 1 1    1   14    0 o  398.680   3.4889  1594.97   26.227 -3.096771 6.977748 
1 1 1    1   14    1 o  535.327   4.7600  2845.50   49.090 17.14215 9.520009 
1 1 1    1   14    2 o  137.046   2.3959  187.934   6.5632 0.7053833 4.791793 
1 1 1    1   14    3 o  136.515   2.5777  186.338   7.0354 -3.468430 5.155412 
1 1 1    1   14    4 o  192.687   2.6045  371.414   10.036 -2.874069 5.209092 
1 1 1    1   14    5 f  328.421   3.4160  1079.35   22.435 3.172455 6.832048 
1 1 1    1   14    6 o  348.573   3.1335  1222.26   20.807 -6.196808 6.267046 
1 1 1    1   14    7 o  292.191   3.1197  854.015   18.231      ?      ? 
1 1 1    1   14    9 o  323.787   2.4186  1048.72   15.662 1.487091 4.837202 
1 1 1    1   14   10 o  826.952   5.7025  6844.30   94.251 -17.98560 11.40495 
1 1 1    1   14   11 o  633.290   4.3946  4007.97   55.593 -18.97266 8.789285 
1 1 1    1   14   12 o  426.653   3.0875  1821.09   26.346 0.5807495E-01 6.175036 
1 1 1    1   14   13 o  784.422   5.4184  6157.83   84.965 -14.59216 10.83680 
1 1 1    1   14   14 o  363.241   2.8148  1319.88   20.448 -1.955139 5.629678 
1 1 1    1   14   15 o  242.735   3.7150  589.401   18.035      ?      ? 
1 1 1    1   14   18 o  141.829   4.1053  201.396   11.644 -2.830200 8.210684 
1 1 1    1   14   20 o  205.475   3.2660  422.764   13.415 -6.037476 6.531939 
1 1 1    1   14   21 o  228.143   3.0079  520.973   13.721 -1.153275 6.015857 
1 1 1    1   14   22 o  253.543   2.9251  643.367   14.829 -7.716675 5.850135 
1 1 1    1   14   23 o  159.796   3.8259  256.200   12.206 -5.567154 7.651753 
1 1 1    1   14   24 o  138.809   5.8455  193.114   16.228      ?      ? 
1 1 1    1   14   25 o   87.349   6.4413   77.432   11.177 -7.174759 12.88252 
1 1 1    1   14   26 o  240.291   2.9014  578.875   13.931 -6.579224 5.802777 
1 1 1    1   14   27 f  110.545   4.8789  122.839   10.746 1.176697 9.757883 
1 1 1    1   14   28 o  185.320   3.2690  344.284   12.088 1.760422 6.537955 
1 1 1    1   14   30 f   41.496   9.8070   11.507   11.523 -25.68325 19.61410 
1 1 1    1   14   31 o  154.403   3.7694  240.130   11.599 -2.487503 7.538742 
1 1 1    1   14   33 o  109.476   7.8412  121.809   17.169      ?      ? 
1 1 1    1   14   34 o   85.656   9.0393   75.107   15.485      ?      ? 
1 1 1    1   14   36 o   97.907   6.0869   97.044   11.836 8.420715 12.17384 
1 1 1    1   14   37 o   51.680   10.573   30.057   11.874 -11.78671 21.14579 
1 1 1    1   14   38 o  113.483   5.2172  131.225   11.773 -1.656639 10.43449 
1 1 1    1   14   39 o  152.979   4.0442  236.580   12.335 -15.49742 8.088440 
1 1 1    1   15    0 o  406.573   3.5655  1661.54   27.409 -5.519257 7.131035 
1 1 1    1   15    1 o  440.185   4.9619  1939.24   43.683      ?      ? 
1 1 1    1   15    2 o  326.270   3.3265  1064.94   21.702 5.038391 6.653043 
1 1 1    1   15    3 o  615.783   6.0182  3800.70   74.118 1.073486 12.03650 
1 1 1    1   15    4 o  358.598   3.6578  1286.97   26.233 1.076172 7.315542 
1 1 1    1   15    5 o  378.051   3.8532  1429.82   29.124 6.096191 7.706344 
1 1 1    1   15    6 o  559.625   4.9195  3129.72   53.089 4.030212 9.838977 
1 1 1    1   15    7 o  293.482   2.7906  870.418   15.479 -9.345734 5.581226 
1 1 1    1   15    8 o  547.320   5.4284  2997.90   59.422      ?      ? 
1 1 1    1   15    9 o  160.804   2.0058  257.703   6.4378 -9.131165 4.011563 
1 1 1    1   15   10 o  161.502   3.1103  260.885   10.047      ?      ? 
1 1 1    1   15   11 o  453.820   3.2362  2056.96   29.336 -14.81155 6.472333 
1 1 1    1   15   12 f  600.822   4.1902  3609.72   50.316 -13.44635 8.380396 
1 1 1    1   15   13 o  242.032   2.3816  584.537   11.515 -13.01402 4.763296 
1 1 1    1   15   14 o  679.967   4.7358  4627.33   64.389 8.404297 9.471519 
1 1 1    1   15   16 o  255.929   2.7173  655.224   13.909 0.5814056 5.434542 
1 1 1    1   15   17 o  362.086   2.9500  1311.70   21.362 3.699677 5.899924 
1 1 1    1   15   18 f  414.977   3.2131  1722.57   26.660 -6.108185 6.426188 
1 1 1    1   15   19 f  231.157   2.9676  534.723   13.718 3.627609 5.935173 
1 1 1    1   15   20 o  497.291   3.6449  2475.91   36.252 0.5819397 7.289836 
1 1 1    1   15   21 o  183.609   3.3655  337.738   12.351 -4.590683 6.731013 
1 1 1    1   15   22 o  264.181   2.9106  698.648   15.374 -0.2567444 5.821210 
1 1 1    1   15   23 o  382.698   4.4672  1466.39   34.192      ?      ? 
1 1 1    1   15   24 o   87.190   6.4204   76.270   11.160 9.721352 12.84070 
1 1 1    1   15   25 o  306.039   2.8583  938.067   17.494 -3.789978 5.716547 
1 1 1    1   15   26 o  143.686   3.8697  207.405   11.084 -1.997147 7.739480 
1 1 1    1   15   27 o   63.581   8.6047   42.555   10.502 0.6403465 17.20946 
1 1 1    1   15   28 o  157.725   3.7932  249.434   11.938 7.105545 7.586381 
1 1 1    1   15   30 o  254.911   2.9604  651.499   15.074 3.661835 5.920743 
1 1 1    1   15   31 f   40.195   10.277   13.533   10.884 11.35847 20.55433 
1 1 1    1   15   32 o  233.709   3.1585  542.862   14.704 24.93619 6.317000 
1 1 1    1   15   33 o   21.748   7.5689 -30.9759   11.247 1.894438 15.13780 
1 1 1    1   15   34 o  154.981   5.3136  241.539   16.470      ?      ? 
1 1 1    1   15   35 o   81.458   7.2671   68.495   11.748 -2.157135 14.53424 
1 1 1    1   15   36 o   69.355   8.7596   50.400   11.812 14.12367 17.51924 
1 1 1    1   15   37 f  132.187   4.6333  178.815   12.102 -10.74737 9.266674 
1 1 1    1   15   38 o  106.851   5.3522  115.761   11.399 0.7975769 10.70445 
1 1 1    1   16    0 o  227.566   3.6699  518.055   16.703      ?      ? 
1 1 1    1   16    1 o  295.634   4.3681  874.456   25.827      ?      ? 
1 1 1    1   16    2 o  683.889   6.6853  4688.19   91.436 4.228577 13.37064 
1 1 1    1   16    3 o  441.156   4.3774  1947.28   38.609 7.498627 8.754811 
1 1 1    1   16    4 o  259.329   2.9504  672.725   15.301 3.537018 5.900759 
1 1 1    1   16    5 o  539.198   5.3167  2911.07   57.327 -5.858948 10.63344 
1 1 1    1   16    6 f  288.668   3.2327  833.672   18.662 1.700500 6.465440 
1 1 1    1   16    7 f  155.855   4.7079  243.038   14.675      ?      ? 
1 1 1    1   16    8 o  433.880   3.8107  1883.32   31.190 0.1964111 7.621457 
1 1 1    1   16    9 o  248.512   3.0132  617.707   14.977      ?      ? 
1 1 1    1   16   10 o  359.609   3.7733  1293.62   27.138      ?      ? 
1 1 1    1   16   11 o  358.969   3.8058  1289.05   27.324      ?      ? 
1 1 1    1   16   12 o  559.183   3.9269  3128.76   43.912 5.454651 7.853728 
1 1 1    1   16   13 o  564.150   3.9751  3180.28   44.800 -17.18024 7.950195 
1 1 1    1   16   14 o  502.067   3.6044  2522.33   36.193 1.619873 7.208882 
1 1 1    1   16   16 o  224.188   2.7813  502.839   12.470 -3.401581 5.562698 
1 1 1    1   16   18 o   88.606   6.1038   79.322   10.696 -15.23684 12.20758 
1 1 1    1   16   19 o   43.560   9.8356   16.897   10.604 -19.01971 19.67117 
1 1 1    1   16   20 o  182.315   3.3153  332.384   12.081 5.899323 6.630528 
1 1 1    1   16   21 o  171.682   3.4775  295.713   11.917 -6.695908 6.954968 
1 1 1    1   16   22 o  409.524   3.2169  1678.77   26.339 4.037506 6.433746 
1 1 1    1   16   23 o   92.014   6.2420   84.569   11.210 27.81277 12.48407 
1 1 1    1   16   24 o  197.637   3.0783  391.512   12.150 -1.933792 6.156505 
1 1 1    1   16   25 o  143.333   3.7875  205.513   10.836 6.313843 7.575044 
1 1 1    1   16   26 o  126.616   4.2380  162.339   10.624 -8.018013 8.475976 
1 1 1    1   16   27 o   90.873   5.8598   83.093   10.600 4.175171 11.71964 
1 1 1    1   16   29 o  108.863   5.5233  121.807   11.842 -8.413918 11.04659 
1 1 1    1   16   30 o   40.482   10.415   14.385   10.853 2.347202 20.83054 
1 1 1    1   16   32 o   20.111   7.0837 -39.9519   11.366 -0.3456306E-01 14.16742 
1 1 1    1   16   33 o  108.688   7.0462  119.756   15.317      ?      ? 
1 1 1    1   16   34 f   70.080   11.067   51.163   15.511      ?      ? 
1 1 1    1   16   35 o   83.754   6.7874   72.100   11.315 0.6242676 13.57488 
1 1 1    1   16   36 o   93.906   6.3026   90.085   11.781 5.559349 12.60513 
1 1 1    1   16   37 o   76.074   7.5082   60.116   11.307 -1.451324 15.01644 
1 1 1    1   16   38 o   93.545   6.6224   92.583   11.911 -14.64122 13.24476 
1 1 1    1   17    0 o  793.394   7.9442  6304.71  126.057      ?      ? 
1 1 1    1   17    1 o  321.787   4.7132  1036.04   30.333      ?      ? 
1 1 1    1   17    2 o  639.897   6.2652  4102.38   80.177 -3.398315 12.53035 
1 1 1    1   17    3 f  460.008   4.5637  2118.17   41.986 -0.9379578 9.127471 
1 1 1    1   17    4 o  522.734   5.1586  2731.51   53.867 16.37457 10.31711 
1 1 1    1   17    5 o  229.232   2.9650  525.655   13.592 -0.5826111 5.929990 
1 1 1    1   17    6 o  432.342   4.3543  1870.26   37.644 5.542694 8.708669 
1 1 1    1   17    7 o  346.042   3.6979  1198.20   25.592 0.5446777 7.395792 
1 1 1    1   17    8 o  286.812   2.8067  827.281   15.226 -4.764709 5.613468 
1 1 1    1   17    9 o  287.839   2.2768  826.153   13.077 -12.69217 4.553588 
1 1 1    1   17   11 o  334.234   2.6050  1115.46   17.393 -12.02856 5.209985 
1 1 1    1   17   13 o  340.837   2.7190  1149.87   18.410 -30.09491 5.437959 
1 1 1    1   17   14 o  423.434   3.1564  1792.23   26.714 11.17001 6.312782 
1 1 1    1   17   15 f  148.425   4.7702  220.470   14.160      ?      ? 
1 1 1    1   17   16 f  315.261   3.9042  994.382   24.617      ?      ? 
1 1 1    1   17   17 o  166.758   3.2817  278.316   10.943 -4.153351 6.563449 
1 1 1    1   17   18 o  358.212   2.9102  1284.12   20.849 2.061310 5.820329 
1 1 1    1   17   19 o  121.101   4.4534  147.892   10.715 -12.95617 8.906728 
1 1 1    1   17   20 o  216.897   2.9365  471.314   12.727 -5.690063 5.872924 
1 1 1    1   17   21 o  316.513   2.8551  1002.95   18.071 -3.575073 5.710240 
1 1 1    1   17   22 o  410.182   3.1961  1684.52   26.214 -8.914734 6.392129 
1 1 1    1   17   23 o  169.975   3.2967  289.390   11.189 1.462479 6.593480 
1 1 1    1   17   24 o  122.625   4.2487  151.062   10.384 -1.071396 8.497406 
1 1 1    1   17   25 o  109.564   4.7175  120.116   10.291 5.911606 9.434994 
1 1 1    1   17   26 o  179.421   3.2004  321.459   11.432 7.882050 6.400716 
1 1 1    1   17   27 o   66.815   13.113   47.167   16.899      ?      ? 
1 1 1    1   17   29 o   86.340   6.0611   74.985   10.395 6.309799 12.12222 
1 1 1    1   17   30 o  213.454   4.1712  459.376   17.807      ?      ? 
1 1 1    1   17   31 o  105.179   7.9659  111.630   16.757      ?      ? 
1 1 1    1   17   32 o  189.858   3.2995  363.193   12.484 -2.327133 6.598929 
1 1 1    1   17   33 o  138.833   4.1939  194.062   11.607 0.2394257 8.387806 
1 1 1    1   17   34 o  143.454   4.0992  207.850   11.691 -1.314194 8.198446 
1 1 1    1   17   35 o   68.231   8.7878   53.387   11.165 -28.58501 17.57563 
1 1 1    1   17   36 o  101.147   5.7205  105.285   11.454 -8.306709 11.44106 
1 1 1    1   17   37 o   88.215   6.3650   80.860   11.017 -14.14413 12.72994 
1 1 1    1   17   38 o   17.918   6.4536 -13.4731   11.732 2.128815 12.90716 
1 1 1    1   18    0 o  424.903   4.3291  1806.17   36.789      ?      ? 
1 1 1    1   18    1 o  348.490   5.0732  1215.15   35.359      ?      ? 
1 1 1    1   18    2 o  274.080   3.0249  740.753   16.451 31.78101 6.049859 
1 1 1    1   18    3 o  136.843   3.1633  188.614   8.5985 12.17154 6.326547 
1 1 1    1   18    4 o  408.448   4.1312  1667.98   33.726 10.95828 8.262372 
1 1 1    1   18    5 o  349.328   3.6742  1220.97   25.665 -1.609436 7.348485 
1 1 1    1   18    6 o  460.841   4.6199  2124.16   42.551 -9.860016 9.239886 
1 1 1    1   18    7 o  457.685   4.6048  2096.68   42.145 -3.466553 9.209516 
1 1 1    1   18    8 o  370.904   3.4120  1371.09   23.979 4.437073 6.823945 
1 1 1    1   18    9 o  301.163   4.9805  907.543   29.999      ?      ? 
1 1 1    1   18   11 f  722.758   5.0345  5229.18   72.762 -7.792297 10.06900 
1 1 1    1   18   12 o  513.590   3.6617  2639.13   37.609 5.480988 7.323404 
1 1 1    1   18   13 o   95.735   4.3328   91.766   8.2960 -0.5063629 8.665684 
1 1 1    1   18   14 f  187.466   2.7622  350.351   10.337 -14.11377 5.524351 
1 1 1    1   18   16 o  444.482   3.2876  1976.62   29.216 -6.417358 6.575248 
1 1 1    1   18   17 o  194.551   2.8583  378.478   11.117 -5.537262 5.716515 
1 1 1    1   18   18 o  424.733   3.1997  1805.45   27.174 -5.151459 6.399321 
1 1 1    1   18   19 f   31.071   9.2406   0.3521   9.9639 -5.481104 18.48128 
1 1 1    1   18   21 o  224.667   4.2095  505.447   18.915      ?      ? 
1 1 1    1   18   22 o  347.267   2.8913  1207.97   20.081 -0.4215698 5.782507 
1 1 1    1   18   23 o  172.194   3.1825  296.924   10.942 2.089310 6.364911 
1 1 1    1   18   24 o  158.643   3.3753  251.864   10.672 3.968140 6.750499 
1 1 1    1   18   25 o   63.555   8.1118   42.146   9.9548 -4.433037 16.22367 
1 1 1    1   18   26 f  227.386   4.0238  518.754   18.299      ?      ? 
1 1 1    1   18   28 o  145.897   3.7798  213.339   11.005 6.722260 7.559691 
1 1 1    1   18   29 o   26.852   8.6441  -8.3205   10.286 -1.674965 17.28829 
1 1 1    1   18   31 o   23.609   7.9922 -20.3736   10.474 6.155352 15.98439 
1 1 1    1   18   32 o   92.668   6.2718   92.614   10.920 -28.39633 12.54354 
1 1 1    1   18   33 o  172.070   3.4875  299.981   11.887 -6.420044 6.975056 
1 1 1    1   18   34 f  206.830   3.1033  429.145   12.743 4.505890 6.206518 
1 1 1    1   18   35 f  111.810   4.9779  125.940   11.059 9.519615 9.955849 
1 1 1    1   18   36 f   98.616   5.5779   99.448   10.957 -4.101334 11.15588 
1 1 1    1   18   37 o   29.692   9.1932  -4.2041   10.702 -8.311848 18.38630 
1 1 1    1   19    0 o  478.136   4.8788  2287.48   46.654      ?      ? 
1 1 1    1   19    1 o  316.819   4.7785  1004.31   30.278      ?      ? 
1 1 1    1   19    2 o  183.475   4.2562  336.781   15.618      ?      ? 
1 1 1    1   19    3 o  287.433   3.2170  820.401   18.419 24.66708 6.434014 
1 1 1    1   19    4 f  518.561   5.1370  2687.24   53.188 -16.71362 10.27406 
1 1 1    1   19    5 f  269.872   3.1974  727.001   17.209 -7.767517 6.394835 
1 1 1    1   19    6 f  211.915   3.2595  448.152   13.768 24.51041 6.519042 
1 1 1    1   19    7 o  639.318   6.2873  4091.37   80.329 -15.04291 12.57467 
1 1 1    1   19    8 o  214.415   3.4979  458.883   14.962 21.58128 6.995742 
1 1 1    1   19    9 o  189.032   3.2206  396.682   10.631 -49.63373 6.441264 
1 1 1    1   19   10 o  557.977   4.8497  3098.10   50.720 9.409851 9.699477 
1 1 1    1   19   11 o  560.192   3.9701  3131.65   44.376 -23.93469 7.940158 
1 1 1    1   19   12 o  695.428   4.8551  4842.38   67.512 -9.113159 9.710208 
1 1 1    1   19   13 o  733.413   5.1030  5386.11   74.833 10.27435 10.20604 
1 1 1    1   19   14 o  194.847   2.6837  379.258   10.431 -19.54901 5.367342 
1 1 1    1   19   15 o  112.163   5.7011  125.981   12.789      ?      ? 
1 1 1    1   19   16 o  303.845   2.6393  923.732   16.037 -2.306854 5.278594 
1 1 1    1   19   17 o  442.961   3.2818  1964.27   29.072 -3.307159 6.563679 
1 1 1    1   19   18 o  462.153   3.4032  2138.67   31.454 -3.087097 6.806433 
1 1 1    1   19   19 o  155.896   3.3683  243.475   10.489 9.784485 6.736647 
1 1 1    1   19   20 o   24.884   11.606 -13.1518   14.138      ?      ? 
1 1 1    1   19   21 o  106.442   4.5532  113.790   9.6801 -0.4370499 9.106479 
1 1 1    1   19   22 o  240.479   2.6732  579.271   12.854 -5.012939 5.346397 
1 1 1    1   19   23 o   31.180   9.0830   2.0654   9.5128 -6.589050 18.16608 
1 1 1    1   19   24 o  148.071   3.4546  219.739   10.204 2.458069 6.909185 
1 1 1    1   19   25 o   54.804   8.7677   33.089   10.005 -27.26101 17.53548 
1 1 1    1   19   27 o   48.486   9.7814   25.129   9.9168 -0.7717285 19.56281 
1 1 1    1   19   28 o   89.987   5.5327   82.621   9.8672 -6.623611 11.06546 
1 1 1    1   19   29 o  254.976   4.0732  651.419   20.771      ?      ? 
1 1 1    1   19   30 o  157.768   3.4976  250.983   11.014 -3.613327 6.995160 
1 1 1    1   19   31 o  104.452   5.0733  109.739   10.532 7.705872 10.14656 
1 1 1    1   19   32 o  113.373   4.8258  128.307   10.844 12.69827 9.651542 
1 1 1    1   19   33 o   99.638   5.5162  101.627   10.800 -3.454880 11.03232 
1 1 1    1   19   34 o  132.131   4.3183  177.238   11.280 -2.905426 8.636555 
1 1 1    1   19   35 o   80.260   6.7155   65.720   10.728 6.157043 13.43097 
1 1 1    1   19   36 o   81.542   6.5888   67.960   10.720 0.1616669 13.17763 
1 1 1    1   20    0 o  575.508   5.9024  3314.98   67.938      ?      ? 
1 1 1    1   20    1 o  674.864   9.4054  4564.50  126.948      ?      ? 
1 1 1    1   20    2 o  546.500   7.6802  2991.06   83.944      ?      ? 
1 1 1    1   20    3 o  416.566   4.2329  1736.86   35.260 0.1643066 8.465714 
1 1 1    1   20    4 o  239.964   3.1557  577.065   15.114 16.78587 6.311331 
1 1 1    1   20    5 o  443.534   4.5127  1967.80   40.014 11.08994 9.025452 
1 1 1    1   20    6 o  277.871   3.3858  759.423   18.600 -30.08957 6.771562 
1 1 1    1   20    7 o  571.297   5.6717  3267.89   64.791 8.271912 11.34331 
1 1 1    1   20    8 o  533.427   5.3390  2849.79   56.956 -3.186035 10.67809 
1 1 1    1   20    9 o  157.661   4.2860  248.657   13.507 -7.341156 8.572061 
1 1 1    1   20   10 o  316.777   3.2123  1007.02   18.991 -2.600555 6.424602 
1 1 1    1   20   11 o  365.674   3.5002  1315.07   23.494 15.58694 7.000471 
1 1 1    1   20   12 o  262.131   2.4505  687.145   12.842 -9.858459 4.900979 
1 1 1    1   20   13 o  600.990   4.2333  3606.25   50.766 -25.58185 8.466596 
1 1 1    1   20   14 o  123.807   3.3916  153.677   8.3815 -3.750648 6.783114 
1 1 1    1   20   15 o  147.713   3.0984  218.303   9.1421 1.328156 6.196773 
1 1 1    1   20   16 o  634.151   4.4540  4030.17   56.485 -5.350891 8.907969 
1 1 1    1   20   17 o   78.939   5.8709   62.593   9.2625 -0.5478668 11.74186 
1 1 1    1   20   19 f  164.656   3.0844  271.517   10.156 1.873581 6.168729 
1 1 1    1   20   20 o  260.756   2.5854  680.499   13.480 -7.477509 5.170802 
1 1 1    1   20   21 o  135.074   3.4859  182.764   9.4111 3.168442 6.971809 
1 1 1    1   20   22 o  262.616   2.6168  690.836   13.742 1.244843 5.233644 
1 1 1    1   20   23 f  200.715   2.7700  402.966   11.101 6.634781 5.539928 
1 1 1    1   20   24 o   21.012   7.1925 -20.7134   9.1977 2.053888 14.38502 
1 1 1    1   20   25 o  381.627   4.3331  1457.99   33.072      ?      ? 
1 1 1    1   20   26 o  177.611   4.5929  317.090   16.315      ?      ? 
1 1 1    1   20   27 o   49.483   8.9314   26.709   9.3098 -18.87675 17.86275 
1 1 1    1   20   28 o   19.880   6.9355 -29.9422   9.9083 -0.4456291 13.87096 
1 1 1    1   20   29 o   72.982   9.4224   54.383   13.753      ?      ? 
1 1 1    1   20   30 o   18.953   6.6735 -34.9755   10.025 0.1325588 13.34704 
1 1 1    1   20   31 o  104.633   6.8743  110.556   14.385      ?      ? 
1 1 1    1   20   32 o   80.253   6.6607   64.743   10.588 14.08958 13.32144 
1 1 1    1   20   33 o   52.349   10.125   29.856   10.785 2.250622 20.25006 
1 1 1    1   20   34 o  156.062   3.8079  246.433   11.728 -2.660690 7.615883 
1 1 1    1   20   35 o   47.706   10.130   24.668   10.659 -9.052761 20.26023 
1 1 1    1   20   36 o  123.177   4.2997  153.588   10.552 14.42170 8.599339 
1 1 1    1   21    1 o  422.326   6.1132  1785.21   51.635      ?      ? 
1 1 1    1   21    2 o  719.685   10.009  5192.34  144.072      ?      ? 
1 1 1    1   21    3 o  449.585   4.5364  2020.04   40.749 16.47147 9.072747 
1 1 1    1   21    4 o  174.180   3.5374  310.226   11.965 47.27489 7.074869 
1 1 1    1   21    5 o  197.885   3.2813  390.731   12.913 -5.123444 6.562504 
1 1 1    1   21    6 o  472.624   4.7702  2235.49   45.057 -9.271851 9.540352 
1 1 1    1   21    7 o  350.548   3.8319  1227.03   26.813 -13.04532 7.663776 
1 1 1    1   21    8 o  385.829   4.1306  1476.71   31.684 -31.00073 8.261167 
1 1 1    1   21    9 o  172.286   4.2013  296.178   14.299 36.95081 8.402522 
1 1 1    1   21   10 f  194.605   3.1394  378.152   10.256 0.7165070 6.278826 
1 1 1    1   21   11 o  445.127   4.0088  1982.42   33.636 0.8772583 8.017690 
1 1 1    1   21   12 o  268.926   3.1493  724.435   15.390 -0.6172791 6.298632 
1 1 1    1   21   13 o  150.342   3.8522  226.194   11.583      ?      ? 
1 1 1    1   21   14 o  325.200   3.7291  1058.37   24.254      ?      ? 
1 1 1    1   21   15 o  257.425   2.4811  663.028   12.773 -4.988251 4.962284 
1 1 1    1   21   16 o  358.119   2.8293  1283.21   20.258 5.589417 5.658504 
1 1 1    1   21   17 o  299.903   2.6332  898.255   15.773 12.95883 5.266425 
1 1 1    1   21   18 o  102.990   4.2961  106.325   8.8440 3.925766 8.592123 
1 1 1    1   21   19 o  135.738   3.3269  184.490   9.0277 3.725601 6.653744 
1 1 1    1   21   20 o   94.159   4.5673   89.483   8.5600 -8.253967 9.134504 
1 1 1    1   21   21 o  168.667   2.8693  285.408   9.6688 -5.302628 5.738656 
1 1 1    1   21   22 o  202.750   2.6816  412.034   10.871 -4.638885 5.363142 
1 1 1    1   21   23 o  125.227   5.3130  157.753   13.307      ?      ? 
1 1 1    1   21   25 o  162.712   3.1697  264.662   10.280 10.54762 6.339355 
1 1 1    1   21   26 o  208.418   2.7090  435.430   11.274 2.253296 5.417915 
1 1 1    1   21   27 o   18.251   6.4258 -32.3325   9.2831 0.6560898E-01 12.85151 
1 1 1    1   21   29 f  184.314   3.0309  341.597   11.168 0.1718140 6.061829 
1 1 1    1   21   30 o  118.987   4.4664  142.299   10.574 3.059570 8.932832 
1 1 1    1   21   31 o   81.020   6.5709   68.791   10.373 -10.77447 13.14180 
1 1 1    1   21   32 o  146.547   3.8727  218.423   11.184 -7.760651 7.745446 
1 1 1    1   21   33 o   25.759   8.4706 -12.0631   10.612 -0.9294758 16.94120 
1 1 1    1   21   34 o  126.996   4.3357  162.396   10.923 4.567886 8.671453 
1 1 1    1   21   35 o   28.273   8.9186  -4.4957   10.212 -0.2897873 17.83718 
1 1 1    1   22    0 o  277.059   3.3075  767.893   18.327      ?      ? 
1 1 1    1   22    1 o  278.361   4.6108  775.385   25.669      ?      ? 
1 1 1    1   22    2 o  321.960   5.0020  1037.42   32.209      ?      ? 
1 1 1    1   22    3 o  220.506   4.5134  486.543   19.905      ?      ? 
1 1 1    1   22    4 o  388.427   4.0338  1506.28   31.251 -13.26389 8.067529 
1 1 1    1   22    5 o  369.888   3.9112  1368.38   28.921 11.67944 7.822321 
1 1 1    1   22    6 o  235.119   3.3654  553.111   15.805 16.08653 6.730746 
1 1 1    1   22    7 o  543.971   5.4305  2965.47   59.079 3.878906 10.86106 
1 1 1    1   22    8 o  293.257   3.6105  859.993   21.164 9.484955 7.221060 
1 1 1    1   22    9 o  150.814   4.4215  227.827   13.336 -1.114456 8.843095 
1 1 1    1   22   10 o  378.129   4.1082  1431.32   31.060 7.680389 8.216415 
1 1 1    1   22   11 o  170.972   3.3491  281.561   9.0119 10.34367 6.698160 
1 1 1    1   22   12 o  400.741   3.7453  1592.99   27.774 9.810272 7.490700 
1 1 1    1   22   13 o  299.653   3.2511  896.497   17.778 1.925446 6.502136 
1 1 1    1   22   14 o  318.111   3.2890  1009.08   19.279 3.224365 6.577947 
1 1 1    1   22   15 o  216.972   2.4562  470.339   10.648 7.920990 4.912464 
1 1 1    1   22   16 o  188.678   2.6076  356.144   9.8309 2.907486 5.215210 
1 1 1    1   22   17 o  126.692   3.3325  160.851   8.4350 0.3004532 6.664933 
1 1 1    1   22   18 o  168.198   2.7632  283.375   9.2939 -2.317551 5.526488 
1 1 1    1   22   19 o  172.315   2.7074  297.487   9.3194 -10.98769 5.414836 
1 1 1    1   22   20 o  207.766   2.5241  432.541   10.483 -1.476456 5.048197 
1 1 1    1   22   21 o   99.165   4.2715   98.721   8.4478 1.841187 8.543076 
1 1 1    1   22   24 o  203.285   2.7513  414.685   11.156 0.5316162 5.502542 
1 1 1    1   22   25 o   88.507   5.1524   79.350   9.0887 -2.315903 10.30480 
1 1 1    1   22   26 o   30.933   9.0242   4.0462   9.0074 1.694115 18.04841 
1 1 1    1   22   28 o  130.249   3.7009  171.092   9.6209 -1.022919 7.401788 
1 1 1    1   22   29 o  218.207   4.0520  477.763   17.683      ?      ? 
1 1 1    1   22   30 o   94.368   5.4184   90.576   10.174 2.677452 10.83677 
1 1 1    1   22   31 o  116.741   4.5975  138.390   10.611 -2.002838 9.195078 
1 1 1    1   22   32 o   58.894   8.7306   35.878   10.298 31.42780 17.46119 
1 1 1    1   22   33 o   75.291   7.3223   61.999   10.175 -18.31318 14.64468 
1 1 1    1   22   34 o  136.264   3.9879  186.521   10.841 7.171097 7.975852 
1 1 1    1   23    0 o  364.863   5.3825  1332.75   39.278      ?      ? 
1 1 1    1   23    1 o  311.129   4.8508  968.901   30.184      ?      ? 
1 1 1    1   23    2 o  442.053   6.3515  1957.24   56.154      ?      ? 
1 1 1    1   23    3 o  321.750   5.0312  1036.30   32.376      ?      ? 
1 1 1    1   23    4 o  242.637   3.1709  590.191   15.362 11.49756 6.341838 
1 1 1    1   23    5 f  227.529   3.2070  519.076   14.560 7.191132 6.413985 
1 1 1    1   23    6 f  587.170   5.8184  3457.70   68.323 5.232544 11.63675 
1 1 1    1   23    7 o  309.632   3.5911  956.010   22.166 -14.58954 7.182203 
1 1 1    1   23    8 o  488.310   4.9415  2389.40   48.248 7.406860 9.882904 
1 1 1    1   23    9 o  349.558   3.9084  1222.47   27.306 -11.47717 7.816707 
1 1 1    1   23   10 f  197.839   3.8283  391.802   15.143 5.293839 7.656674 
1 1 1    1   23   11 o  272.134   3.6685  740.998   19.955 8.222626 7.336944 
1 1 1    1   23   12 f   61.995   7.4099   21.754   6.9820 52.76778 14.81970 
1 1 1    1   23   13 o  102.643   9.5265  105.955   19.557      ?      ? 
1 1 1    1   23   14 o   56.901   9.1376   37.336   8.6073 -12.98135 18.27517 
1 1 1    1   23   15 o   63.468   8.7259   44.901   8.7274 -10.15437 17.45187 
1 1 1    1   23   16 o  182.026   2.4677  331.840   8.9805 -3.863678 4.935446 
1 1 1    1   23   17 f  214.977   2.4135  462.394   10.370 4.081009 4.826931 
1 1 1    1   23   18 o  140.120   2.9803  196.630   8.3395 1.761749 5.960611 
1 1 1    1   23   19 o   96.562   4.1946   94.620   8.0204 -12.67644 8.389273 
1 1 1    1   23   20 o  213.157   3.4425  455.203   14.676      ?      ? 
1 1 1    1   23   23 o  236.209   2.5316  559.446   11.957 0.2088928E-01 5.063147 
1 1 1    1   23   24 o  143.580   3.1986  207.362   9.1683 -5.190033 6.397296 
1 1 1    1   23   26 o  240.488   3.7725  579.598   18.145      ?      ? 
1 1 1    1   23   27 o   48.672   8.6461   25.729   8.7666 -18.59643 17.29229 
1 1 1    1   23   28 o  137.071   5.2377  188.990   14.359      ?      ? 
1 1 1    1   23   29 o  151.978   3.4463  233.693   10.419 -5.262665 6.892552 
1 1 1    1   23   30 o   54.533   9.4407   32.088   10.132 5.793739 18.88143 
1 1 1    1   23   31 o   25.902   8.5305 -12.0063   10.609 2.180841 17.06094 
1 1 1    1   23   32 o   55.253   9.4181   33.315   10.180 0.4335327 18.83624 
1 1 1    1   23   33 o  122.578   4.2873  150.095   10.431 9.791809 8.574508 
1 1 1    1   23   34 o   29.686   8.8282   4.1745   10.501 19.70361 17.65632 
1 1 1    1   24    0 o  406.934   5.8865  1658.69   47.908      ?      ? 
1 1 1    1   24    1 f  522.756   7.3905  2739.91   77.268      ?      ? 
1 1 1    1   24    2 o  597.326   8.3807  3580.19  100.120      ?      ? 
1 1 1    1   24    3 o  468.884   6.6860  2203.41   62.699      ?      ? 
1 1 1    1   24    4 f  487.649   4.8977  2375.46   47.646 23.03760 9.795377 
1 1 1    1   24    5 o  253.092   3.2348  640.250   16.350 -6.937210 6.469691 
1 1 1    1   24    6 o  367.102   3.9136  1348.20   28.713 12.14575 7.827203 
1 1 1    1   24    7 o  667.463   6.5848  4476.27   87.885 8.751770 13.16955 
1 1 1    1   24    8 o  156.819   3.9738  244.582   12.401 -21.77193 7.947665 
1 1 1    1   24    9 o  400.479   4.2332  1607.30   33.905 2.534607 8.466439 
1 1 1    1   24   10 o  138.478   4.8209  192.617   13.278 -18.51779 9.641894 
1 1 1    1   24   11 o  135.043   4.9281  182.854   13.279 -12.53964 9.856142 
1 1 1    1   24   12 o  131.516   5.2140  174.554   13.642 13.51060 10.42794 
1 1 1    1   24   13 o  260.962   3.0520  672.309   14.238 8.226288 6.103971 
1 1 1    1   24   14 o  148.098   3.6782  216.809   8.6246 3.174026 7.356320 
1 1 1    1   24   15 o  168.897   3.4598  285.572   9.7531 0.1974792 6.919621 
1 1 1    1   24   16 o  213.595   3.1824  458.540   11.863 -1.422745 6.364747 
1 1 1    1   24   17 o  133.826   2.9068  179.825   7.7670 -6.099396 5.813627 
1 1 1    1   24   18 o   97.980   3.8772   96.365   7.5792 0.8009262 7.754345 
1 1 1    1   24   21 o  169.423   3.9514  287.715   13.389      ?      ? 
1 1 1    1   24   22 o   61.198   6.7619   38.649   8.0204 10.90501 13.52371 
1 1 1    1   24   23 o  159.142   2.9209  254.433   9.2806 -11.02074 5.841721 
1 1 1    1   24   25 o  221.581   2.6481  491.370   11.723 -13.28877 5.296224 
1 1 1    1   24   26 o   21.495   7.2344 -15.0258   8.5962 -0.8849773 14.46885 
1 1 1    1   24   27 o  104.231   6.5268  109.621   13.606      ?      ? 
1 1 1    1   24   28 o  124.812   3.9330  157.038   9.7798 4.293159 7.865952 
1 1 1    1   24   29 o   48.297   9.4944   25.628   9.5334 -5.106709 18.98886 
1 1 1    1   24   30 o  155.481   3.5046  243.717   10.831 -0.2151642 7.009264 
1 1 1    1   24   31 o  153.970   3.5966  237.834   11.029 7.431976 7.193240 
1 1 1    1   24   32 o  131.510   4.0039  173.803   10.443 3.096970 8.007760 
1 1 1    1   24   33 o   51.518   9.2707   29.701   9.5820 11.47160 18.54136 
1 1 1    1   25    0 o  457.992   6.5562  2102.94   60.054      ?      ? 
1 1 1    1   25    1 o  209.643   4.1144  439.948   17.251      ?      ? 
1 1 1    1   25    2 o  334.285   5.0656  1119.19   33.867      ?      ? 
1 1 1    1   25    3 o  342.195   5.2016  1172.90   35.599      ?      ? 
1 1 1    1   25    4 o  236.643   4.5503  560.708   21.536      ?      ? 
1 1 1    1   25    5 o  227.166   3.1553  517.105   14.321 5.381317 6.310665 
1 1 1    1   25    6 o  566.169   5.6287  3217.19   63.727 7.145874 11.25744 
1 1 1    1   25    7 o  460.431   4.6835  2124.75   43.110 -6.616058 9.366997 
1 1 1    1   25    8 o  189.777   3.5475  360.422   13.450 -3.472641 7.094932 
1 1 1    1   25    9 o  140.684   4.3706  197.960   12.273 -12.29961 8.741117 
1 1 1    1   25   10 o  160.859   4.0566  259.533   13.035 -10.73903 8.113117 
1 1 1    1   25   11 o   80.785   7.5107   66.101   12.116 -3.028137 15.02133 
1 1 1    1   25   12 o  152.026   4.3784  231.898   13.311 3.654648 8.756801 
1 1 1    1   25   13 o  185.154   3.9513  343.936   14.627 6.354050 7.902581 
1 1 1    1   25   14 o  222.833   3.0095  492.715   11.647 4.169952 6.019000 
1 1 1    1   25   15 o  225.438   3.0382  505.810   11.901 3.022903 6.076329 
1 1 1    1   25   16 o  238.575   3.0730  563.726   12.879 5.811890 6.145916 
1 1 1    1   25   17 o  236.006   3.1405  557.145   13.092 1.107010 6.281091 
1 1 1    1   25   18 o  166.252   6.6775  278.411   22.203      ?      ? 
1 1 1    1   25   19 o  149.759   4.6076  224.568   13.801      ?      ? 
1 1 1    1   25   20 o  264.649   3.6363  702.974   19.247      ?      ? 
1 1 1    1   25   21 o  184.065   2.6086  340.523   9.5810 -9.941254 5.217181 
1 1 1    1   25   22 o   88.673   4.6903   79.434   8.3081 3.677925 9.380598 
1 1 1    1   25   23 o  189.377   3.8024  359.194   14.402      ?      ? 
1 1 1    1   25   24 o  110.052   5.9267  122.225   13.045      ?      ? 
1 1 1    1   25   25 o   40.391   9.2758   16.517   8.6917 7.647896 18.55160 
1 1 1    1   25   26 o  147.949   3.3383  220.425   9.8504 -6.698517 6.676586 
1 1 1    1   25   27 o  200.374   2.7876  404.143   11.141 -3.084641 5.575274 
1 1 1    1   25   28 f   85.830   5.4851   74.534   9.3556 4.901093 10.97024 
1 1 1    1   25   29 f   83.153   5.8469   70.754   9.6790 -0.8551178 11.69374 
1 1 1    1   25   30 o   82.958   5.9758   69.800   9.8738 7.109200 11.95151 
1 1 1    1   25   31 o   88.501   5.6562   79.979   9.9148 -3.321320 11.31231 
1 1 1    1   25   32 o   83.251   5.9721   69.971   9.8184 17.85105 11.94418 
1 1 1    1   26    0 o  229.547   4.0574  527.479   18.627      ?      ? 
1 1 1    1   26    1 o  239.953   4.2387  576.449   20.342      ?      ? 
1 1 1    1   26    2 o  240.554   4.3600  579.395   20.976      ?      ? 
1 1 1    1   26    3 o  151.409   5.0102  229.645   15.172      ?      ? 
1 1 1    1   26    4 o  124.259   5.9884  154.813   14.882      ?      ? 
1 1 1    1   26    5 o  286.234   3.3184  820.343   18.988 11.84119 6.636760 
1 1 1    1   26    6 o  411.240   4.2324  1696.19   34.798 -4.245361 8.464716 
1 1 1    1   26    7 o  415.130   4.2796  1729.28   35.528 6.269440 8.559113 
1 1 1    1   26    8 o   86.041   6.1543   74.376   10.570 -3.866745 12.30851 
1 1 1    1   26    9 o   77.011   7.1020   59.882   10.933 0.2243195 14.20404 
1 1 1    1   26   10 o  256.917   3.4021  661.572   17.480 4.736801 6.804227 
1 1 1    1   26   11 o  165.845   3.9547  275.943   13.115 4.627380 7.909354 
1 1 1    1   26   12 o   86.376   7.0462   75.445   12.159 5.725006 14.09242 
1 1 1    1   26   13 f   79.574   7.6125   64.314   12.111 -2.309967 15.22506 
1 1 1    1   26   14 f   92.053   6.6638   85.809   12.262 4.312714 13.32758 
1 1 1    1   26   15 o  127.349   4.0333  162.808   7.5686 -0.2103653 8.066524 
1 1 1    1   26   16 o  161.105   3.4526  259.733   9.3746 0.8140106 6.905198 
1 1 1    1   26   17 o  317.003   5.3535  1006.66   33.942      ?      ? 
1 1 1    1   26   19 o  216.302   3.2619  470.066   12.519 -0.6864471 6.523846 
1 1 1    1   26   20 o  123.444   3.2343  153.053   7.9712 -9.699562 6.468684 
1 1 1    1   26   23 o   34.492   8.7965   8.9234   8.2950 13.33697 17.59302 
1 1 1    1   26   24 o   53.902   7.7718   31.983   8.4165 32.00023 15.54363 
1 1 1    1   26   25 o  176.658   2.8729  313.085   10.141 0.1226196 5.745749 
1 1 1    1   26   26 o  183.960   2.8314  339.629   10.388 3.600937 5.662786 
1 1 1    1   26   27 o   40.207   9.4330   16.563   8.8529 -1.871292 18.86609 
1 1 1    1   26   28 o   81.602   5.6537   67.589   9.1779 4.646179 11.30737 
1 1 1    1   26   29 o   89.792   5.2843   82.107   9.4227 -1.077408 10.56868 
1 1 1    1   26   30 o   60.405   8.1922   39.221   9.5577 -10.83383 16.38441 
1 1 1    1   26   31 o  129.924   3.7883  172.843   9.7227 -15.72626 7.576549 
1 1 1    1   27    0 f  294.160   4.5375  867.085   26.695      ?      ? 
1 1 1    1   27    1 o  180.490   4.0171  326.290   14.501      ?      ? 
1 1 1    1   27    2 o  162.102   4.4014  263.273   14.269      ?      ? 
1 1 1    1   27    3 o  291.172   4.6712  849.611   27.203      ?      ? 
1 1 1    1   27    4 o  244.884   4.4089  600.795   21.594      ?      ? 
1 1 1    1   27    5 f  115.061   6.1374  132.869   14.123      ?      ? 
1 1 1    1   27    6 o  307.171   3.4223  945.979   21.018 3.558838 6.844638 
1 1 1    1   27    7 o  261.231   3.2252  684.267   16.841 9.692535 6.450383 
1 1 1    1   27    8 o  103.156   5.0128  106.951   10.292 -0.6579895 10.02564 
1 1 1    1   27    9 o  148.480   3.8584  221.887   11.420 6.536942 7.716894 
1 1 1    1   27   10 o  162.262   3.7532  265.052   12.145 10.78482 7.506458 
1 1 1    1   27   11 o  120.965   4.7619  147.418   11.506 2.207756 9.523864 
1 1 1    1   27   12 o   78.363   7.6887   64.409   11.469 18.88615 15.37738 
1 1 1    1   27   13 o  133.241   4.7116  178.842   12.554 -2.714615 9.423128 
1 1 1    1   27   14 o  153.925   4.3936  238.652   13.525 -0.8601685 8.787120 
1 1 1    1   27   15 o  379.624   4.1433  1444.18   31.458 -0.3256226E-01 8.286686 
1 1 1    1   27   16 o  136.272   3.6858  189.250   8.1014 -3.891891 7.371517 
1 1 1    1   27   17 o  252.097   2.9619  649.362   13.832 -12.75526 5.923703 
1 1 1    1   27   18 o  151.841   3.6955  235.856   9.1569 -5.052704 7.390937 
1 1 1    1   27   19 o  171.154   3.5498  296.518   10.249 -2.227921 7.099647 
1 1 1    1   27   20 o  183.064   5.9643  336.652   21.837      ?      ? 
1 1 1    1   27   21 o  157.884   6.1630  250.973   19.461      ?      ? 
1 1 1    1   27   22 o  136.997   3.0431  188.158   8.2846 3.078018 6.086203 
1 1 1    1   27   23 o   41.340   8.5684   16.504   8.1046 19.52862 17.13671 
1 1 1    1   27   24 o   44.236   8.7840   19.728   8.4437 17.57991 17.56797 
1 1 1    1   27   25 o  104.127   4.2096  110.039   8.7171 -6.798729 8.419165 
1 1 1    1   27   26 o   65.983   6.8260   46.350   8.5581 -12.65183 13.65195 
1 1 1    1   27   27 o   57.956   7.6723   35.455   8.6555 13.97070 15.34450 
1 1 1    1   27   28 o   99.610   4.6221  101.807   9.0643 -9.263222 9.244289 
1 1 1    1   27   29 o   93.037   5.0290   88.446   9.2524 -6.942963 10.05809 
1 1 1    1   27   30 o   82.521   8.1605   70.137   13.468      ?      ? 
1 1 1    1   28    0 o  352.060   5.2242  1243.37   36.785      ?      ? 
1 1 1    1   28    1 o  150.392   4.0983  226.617   12.327      ?      ? 
1 1 1    1   28    2 o  260.988   4.2910  682.610   22.398      ?      ? 
1 1 1    1   28    3 o  263.707   4.3802  696.998   23.102      ?      ? 
1 1 1    1   28    4 o  315.297   4.8734  997.014   30.731      ?      ? 
1 1 1    1   28    5 o  247.429   4.4134  613.750   21.840      ?      ? 
1 1 1    1   28    6 o   73.518   6.0591   53.736   8.8366 -9.771538 12.11810 
1 1 1    1   28    7 o   94.232   4.9079   87.613   9.1273 -11.37284 9.815884 
1 1 1    1   28    8 f  125.918   3.9856  159.536   9.9203 1.386726 7.971279 
1 1 1    1   28    9 o  122.247   4.2465  150.183   10.329 -0.3783951 8.493082 
1 1 1    1   28   10 o   38.302   9.9204   10.215   10.432 -14.06551 19.84088 
1 1 1    1   28   12 o  156.452   4.2353  244.417   12.843 -52.81548 8.470665 
1 1 1    1   28   13 o  197.691   3.5839  390.700   14.147 15.90535 7.167798 
1 1 1    1   28   14 o   37.275   10.504   8.0414   11.814 2.264809 21.00770 
1 1 1    1   28   15 o   39.025   10.186   9.8927   11.617 16.11495 20.37288 
1 1 1    1   28   16 o   53.099   11.134   30.234   12.671 0.9632454 22.26814 
1 1 1    1   28   17 o  146.845   3.7871  214.845   8.2518 1.624969 7.574122 
1 1 1    1   28   19 o  255.307   5.3167  653.762   27.148      ?      ? 
1 1 1    1   28   20 o  249.455   3.1573  635.976   14.341 -10.59949 6.314697 
1 1 1    1   28   21 o   32.346   9.3869  -6.8484   8.5992 27.66069 18.77390 
1 1 1    1   28   22 o  133.401   4.3297  170.260   9.6726 11.73857 8.659421 
1 1 1    1   28   23 o  236.424   3.3494  571.508   14.082 -8.409271 6.698781 
1 1 1    1   28   24 o   36.919   9.0856   13.059   8.2801 -3.752792 18.17123 
1 1 1    1   28   25 o   96.144   4.5345   93.317   8.6593 2.198006 9.069070 
1 1 1    1   28   26 o   39.416   9.1586   15.195   8.5241 11.17952 18.31714 
1 1 1    1   28   27 o   28.637   8.6729   0.2800   8.8207 3.403475 17.34580 
1 1 1    1   28   28 o  129.194   3.6763  169.220   9.4291 -10.47411 7.352592 
1 1 1    1   28   29 f   93.248   7.0420   89.691   13.133      ?      ? 
1 1 1    1   29    0 o  180.567   3.5573  326.650   12.846      ?      ? 
1 1 1    1   29    1 o  205.992   3.8468  425.247   15.848      ?      ? 
1 1 1    1   29    2 o  180.282   3.9988  325.776   14.418      ?      ? 
1 1 1    1   29    3 o  224.631   4.1412  505.859   18.605      ?      ? 
1 1 1    1   29    4 o  101.085   6.1430  102.753   12.419      ?      ? 
1 1 1    1   29    5 o  114.782   5.7712  132.427   13.249      ?      ? 
1 1 1    1   29    6 o  204.022   4.3865  417.619   17.899      ?      ? 
1 1 1    1   29    7 o  147.108   3.4783  222.070   9.9682 17.01265 6.956643 
1 1 1    1   29    8 o   52.293   7.0934   32.285   9.7491 54.45761 14.18674 
1 1 1    1   29    9 o  469.292   4.7622  2202.46   44.561 -20.58963 9.524321 
1 1 1    1   29   10 o  296.523   3.5364  880.191   20.962 13.36084 7.072899 
1 1 1    1   29   11 o  133.403   4.8162  182.537   12.482 36.54683 9.632322 
1 1 1    1   29   12 o   47.046   10.531   23.378   11.212 6.005413 21.06130 
1 1 1    1   29   13 o  149.932   4.0709  225.903   12.190 -3.821091 8.141780 
1 1 1    1   29   14 o   64.038   9.4345   43.898   11.680 -3.371174 18.86892 
1 1 1    1   29   15 o  150.006   4.5207  228.589   13.494 13.62311 9.041358 
1 1 1    1   29   16 f   74.263   9.8242   58.837   14.140 -22.27737 19.64838 
1 1 1    1   29   17 o  312.374   3.9727  956.368   24.500 -44.99490 7.945445 
1 1 1    1   29   18 o   20.851   10.483 -54.7085   19.196      ?      ? 
1 1 1    1   29   19 o  302.966   3.2742  923.387   18.115 -0.4820251 6.548485 
1 1 1    1   29   20 o   36.314   8.5782   13.311   8.5457 -16.00712 17.15643 
1 1 1    1   29   21 o  223.089   3.3723  502.734   12.999 -2.757248 6.744613 
1 1 1    1   29   22 o   32.242   9.8061  -1.9618   9.2365 18.44670 19.61222 
1 1 1    1   29   23 o   28.884   9.2579  -4.1062   9.4121 9.403233 18.51580 
1 1 1    1   29   24 o   44.214   10.609   14.903   9.7070 20.83694 21.21893 
1 1 1    1   29   25 o  112.594   5.4586  128.128   10.277 0.6455002 10.91716 
1 1 1    1   29   26 o  143.663   3.3673  206.741   9.5510 4.681259 6.734605 
1 1 1    1   29   27 o  124.507   4.0259  157.309   9.8214 -4.287842 8.051867 
1 1 1    1   29   28 o   41.587   6.8227   13.255   9.4667 49.87276 13.64532 
1 1 1    1   30    1 o  236.891   4.1157  562.353   19.500      ?      ? 
1 1 1    1   30    2 o  218.350   4.1524  477.648   18.134      ?      ? 
1 1 1    1   30    3 o  225.083   4.2074  507.391   18.940      ?      ? 
1 1 1    1   30    4 o  310.216   4.8539  963.879   30.115      ?      ? 
1 1 1    1   30    5 o  197.636   4.4263  391.050   17.496      ?      ? 
1 1 1    1   30    6 o   78.829   8.8292   62.458   13.920      ?      ? 
1 1 1    1   30    7 o   35.979   13.773   9.1534   13.886      ?      ? 
1 1 1    1   30    8 f  136.132   3.6738  177.786   9.7411 -29.04524 7.347601 
1 1 1    1   30    9 o  323.737   3.5677  1042.00   22.868 -25.18192 7.135335 
1 1 1    1   30   10 o  219.066   3.2060  481.819   13.975 0.1886597 6.412084 
1 1 1    1   30   11 o  114.901   4.8174  132.690   10.994 -4.301994 9.634876 
1 1 1    1   30   12 o  141.972   4.3184  203.531   12.233 4.655563 8.636717 
1 1 1    1   30   13 o   44.576   10.831   21.028   11.659 -3.103725 21.66259 
1 1 1    1   30   14 o  176.061   4.0148  310.600   14.098 -4.596603 8.029536 
1 1 1    1   30   15 o  180.663   4.2966  329.550   15.322 36.18819 8.593203 
1 1 1    1   30   16 o   57.519   11.652   36.624   14.102 -4.392021 23.30424 
1 1 1    1   30   17 o  129.532   5.5405  170.840   14.352 -0.4318237E-02 11.08106 
1 1 1    1   30   18 o   62.555   11.083   43.417   13.862 -5.952259 22.16590 
1 1 1    1   30   19 o  183.939   3.5162  340.468   10.209 -0.9594879 7.032350 
1 1 1    1   30   20 o   31.706   9.5928   1.8838   7.8806 15.05316 19.18560 
1 1 1    1   30   21 o   89.939   6.1277   71.913   8.7152 18.25947 12.25540 
1 1 1    1   30   22 o  108.118   5.2199  106.177   9.2005 19.00015 10.43979 
1 1 1    1   30   23 o   32.177   9.5939   4.3298   9.3660 2.527388 19.18776 
1 1 1    1   30   24 o   86.228   6.8576   70.211   9.8129 11.56002 13.71527 
1 1 1    1   30   25 o  108.040   5.7347  124.978   10.089 -11.16122 11.46950 
1 1 1    1   30   26 o  111.809   5.9281  137.859   10.451 -16.78338 11.85625 
1 1 1    1   31    1 o  115.620   4.1802  134.312   9.6664      ?      ? 
1 1 1    1   31    2 f  182.423   3.9819  334.129   14.528      ?      ? 
1 1 1    1   31    3 o  178.933   4.0727  321.379   14.575      ?      ? 
1 1 1    1   31    4 o  138.847   4.7035  193.638   13.061      ?      ? 
1 1 1    1   31    5 o  136.619   4.9561  187.526   13.542      ?      ? 
1 1 1    1   31    6 o  204.467   4.3503  419.663   17.790      ?      ? 
1 1 1    1   31    7 o  240.624   4.3552  581.324   20.959      ?      ? 
1 1 1    1   31    8 o  169.234   3.2445  287.915   10.966 3.505768 6.489010 
1 1 1    1   31    9 o  133.706   3.9581  179.236   10.465 -4.718872 7.916180 
1 1 1    1   31   10 o  171.325   3.6806  298.089   12.464 3.592667 7.361220 
1 1 1    1   31   11 o  317.800   3.7386  1013.22   23.748 -5.811432 7.477208 
1 1 1    1   31   12 o  496.727   5.0767  2475.88   50.378 14.16806 10.15332 
1 1 1    1   31   13 o  270.282   3.6635  732.075   19.766 19.15265 7.326937 
1 1 1    1   31   14 o  267.258   3.5921  719.367   19.185 -0.6002197 7.184101 
1 1 1    1   31   15 o  104.457   6.1346  111.493   12.807 -4.173958 12.26923 
1 1 1    1   31   16 o  258.092   3.7211  670.575   19.204 -6.508484 7.442110 
1 1 1    1   31   17 o   74.894   9.3179   62.810   13.667 63.89142 18.63571 
1 1 1    1   31   18 o   89.097   7.7939   82.550   13.850 8.990906 15.58786 
1 1 1    1   31   19 o   90.413   7.7366   84.308   13.974 6.028214 15.47321 
1 1 1    1   31   20 o  203.487   4.1125  418.395   16.731 -0.3406525 8.224989 
1 1 1    1   31   21 f   72.520   7.8686   48.450   7.5813 10.19002 15.73712 
1 1 1    1   31   22 o  156.408   4.2722  253.419   9.9983 -6.904617 8.544489 
1 1 1    1   31   23 o   89.222   6.8850   86.974   9.0815 -10.11335 13.77005 
1 1 1    1   31   24 o  103.099   5.8249  106.436   9.6211 1.679543 11.64985 
1 1 1    1   31   25 o  148.286   4.0754  161.443   10.084 81.63391 8.150723 
1 1 1    1   32    2 o  213.004   3.8337  455.384   16.332      ?      ? 
1 1 1    1   32    3 o  170.455   4.1038  292.015   13.990      ?      ? 
1 1 1    1   32    4 o   22.141   10.490 -13.8536   12.478      ?      ? 
1 1 1    1   32    6 o   28.858   12.723  -3.1144   14.292      ?      ? 
1 1 1    1   32    7 o  240.286   4.5529  578.818   21.880      ?      ? 
1 1 1    1   32    8 o  205.106   4.6839  421.522   19.214      ?      ? 
1 1 1    1   32    9 o  196.969   3.3890  369.741   12.958 -40.85446 6.778051 
1 1 1    1   32   10 o  137.090   4.4494  194.386   11.847 17.33075 8.898748 
1 1 1    1   32   11 o  267.528   3.4044  720.049   18.205 12.82019 6.808797 
1 1 1    1   32   12 o   61.445   9.1443   41.268   11.095 19.11797 18.28870 
1 1 1    1   32   14 o  110.335   5.4937  122.635   11.998 -22.07927 10.98749 
1 1 1    1   32   15 o   75.719   8.4342   60.847   12.243 16.53107 16.86837 
1 1 1    1   32   16 o  104.252   6.4404  112.890   13.010 32.68610 12.88074 
1 1 1    1   32   17 o  196.471   4.0180  389.643   15.763 -1.250366 8.036030 
1 1 1    1   32   18 o  127.075   5.6259  166.356   14.138 -16.99903 11.25181 
1 1 1    1   32   19 o   61.660   11.268   42.341   14.141 13.21890 22.53638 
1 1 1    1   32   20 o   40.503   11.284   9.3275   14.331 -12.93258 22.56812 
1 1 1    1   32   21 o   56.991   11.780   36.457   14.605 -12.34905 23.55983 
1 1 1    1   32   22 o   87.254   6.4293   76.717   7.5583 0.2535782 12.85862 
1 1 1    1   32   23 o  115.944   4.8611  131.317   8.7765 5.839798 9.722260 
1 1 1    1   33    2 o  264.637   4.9696  702.665   26.303      ?      ? 
1 1 1    1   33    3 o  174.324   3.7777  304.610   13.171      ?      ? 
1 1 1    1   33    4 o   63.382   9.2463   40.931   11.721      ?      ? 
1 1 1    1   33    7 f  123.152   5.7302  153.056   14.114      ?      ? 
1 1 1    1   33    8 o  122.557   6.0587  151.845   14.851      ?      ? 
1 1 1    1   33    9 o  248.940   4.7284  623.955   23.542      ?      ? 
1 1 1    1   33   10 o  157.017   3.8182  248.867   11.945 3.767838 7.636379 
1 1 1    1   33   11 o  143.337   4.0705  206.525   11.641 -2.920120 8.141022 
1 1 1    1   33   12 o  235.844   3.4141  558.818   16.079 18.25453 6.828227 
1 1 1    1   33   13 o  112.676   5.1734  129.258   11.622 -2.039108 10.34680 
1 1 1    1   33   14 f   52.941   10.363   30.081   11.607 -14.78212 20.72574 
1 1 1    1   33   15 o  146.469   4.5461  217.583   13.273 14.61217 9.092261 
1 1 1    1   33   16 o  154.840   4.4735  242.594   13.851 -3.588577 8.947040 
1 1 1    1   33   17 o  133.832   5.0810  182.294   13.589 2.460724 10.16200 
1 1 1    1   33   18 o  114.755   6.0060  134.893   13.782 -2.961998 12.01210 
1 1 1    1   33   19 o   73.017   10.082   58.338   14.192 0.9219208 20.16497 
1 1 1    1   33   20 o  113.993   6.4001  132.691   14.582 3.801407 12.80013 
1 1 1    1   33   21 o  125.245   5.9508  159.508   14.886 8.569641 11.90170 
1 1 1    1   33   22 o  108.378   6.3859  129.668   13.820 8.079514 12.77188 
1 1 1    1   34    3 o  137.491   3.6233  189.760   9.9633      ?      ? 
1 1 1    1   34    4 o  149.302   4.2402  224.000   12.661      ?      ? 
1 1 1    1   34    5 o  192.408   4.1935  371.792   16.137      ?      ? 
1 1 1    1   34    6 o  149.461   4.8730  224.511   14.566      ?      ? 
1 1 1    1   34    7 o  148.483   5.3325  221.705   15.836      ?      ? 
1 1 1    1   34    8 o   34.129   14.014   4.8711   15.332      ?      ? 
1 1 1    1   34    9 o   19.105   9.5294 -37.8373   14.812      ?      ? 
1 1 1    1   34   10 o  114.932   6.7285  134.094   15.466      ?      ? 
1 1 1    1   34   11 o   59.350   8.8982   37.013   10.490 -21.04115 17.79646 
1 1 1    1   34   12 o  118.488   4.9757  142.303   11.781 -4.542542 9.951365 
1 1 1    1   34   13 o  239.014   3.5303  575.699   16.874 3.782181 7.060536 
1 1 1    1   34   14 o  105.003   6.0645  113.130   12.693 8.679024 12.12899 
1 1 1    1   34   15 o  206.961   3.7947  432.637   15.705 -1.866364 7.589352 
1 1 1    1   34   16 o   67.140   10.126   49.595   13.178 2.579880 20.25236 
1 1 1    1   34   17 o  124.852   5.5033  158.326   13.714 8.551369 11.00664 
1 1 1    1   34   18 o  144.620   4.9536  211.542   14.312 4.566772 9.907251 
1 1 1    1   34   19 o  160.679   4.6009  261.465   14.768 -6.521210 9.201793 
1 1 1    1   34   20 o   51.687   11.113   32.482   13.037 17.27379 22.22567 
1 1 1    1   35    4 o  103.217   4.7431  107.356   9.7914      ?      ? 
1 1 1    1   35    6 o   82.565   7.9465   69.344   13.122      ?      ? 
1 1 1    1   35    7 o   94.504   7.6818   90.797   14.519      ?      ? 
1 1 1    1   35    8 o  185.215   5.0303  345.733   18.634      ?      ? 
1 1 1    1   35    9 o  246.984   4.7436  614.269   23.432      ?      ? 
1 1 1    1   35   10 o  117.069   6.9967  139.090   16.382      ?      ? 
1 1 1    1   35   11 o  126.841   6.6089  163.165   16.766      ?      ? 
1 1 1    1   35   12 o   71.232   8.4741   54.018   11.802 -5.461479 16.94812 
1 1 1    1   35   13 o  195.049   3.7559  383.859   14.650 -2.764450 7.511814 
1 1 1    1   35   14 o  161.913   4.2943  265.085   13.883 12.82773 8.588513 
1 1 1    1   35   15 o  213.095   3.8159  456.208   16.219 21.78200 7.631895 
1 1 1    1   35   16 o  171.015   4.2790  294.967   14.618 -11.87080 8.558066 
1 1 1    1   35   17 o   80.594   8.0541   67.456   12.975 0.3929672 16.10817 
1 1 1    1   35   18 o  127.839   4.8573  179.957   12.349 1.606125 9.714588 
1 1 1    1   36    4 o  151.237   3.4026  229.531   10.292      ?      ? 
1 1 1    1   36    5 o  232.225   4.0857  542.077   18.976      ?      ? 
1 1 1    1   36    6 o  121.501   5.3127  148.974   12.910      ?      ? 
1 1 1    1   36    7 o  245.790   4.4849  608.310   22.047      ?      ? 
1 1 1    1   36    8 o  256.820   4.6790  664.712   24.033      ?      ? 
1 1 1    1   36    9 o  181.506   4.9655  332.151   18.025      ?      ? 
1 1 1    1   36   10 o   76.010   10.247   59.645   15.578      ?      ? 
1 1 1    1   36   11 o   46.567   14.777   23.218   15.428      ?      ? 
1 1 1    1   36   12 o  161.843   5.4404  264.215   17.610      ?      ? 
1 1 1    1   36   13 o  186.139   5.1350  348.802   19.117      ?      ? 
1 1 1    1   36   14 o  108.151   5.5648  119.131   12.015 -7.175270 11.12965 
1 1 1    1   36   15 o  268.015   3.5743  727.422   19.157 4.657806 7.148681 
1 1 1    1   37    5 o  184.676   3.5774  342.437   13.213      ?      ? 
1 1 1    1   37    6 o  154.647   4.1175  240.484   12.735      ?      ? 
1 1 1    1   37    7 o  217.877   4.1531  477.274   18.097      ?      ? 
1 1 1    1   37    8 o  152.237   4.7588  233.212   14.489      ?      ? 
1 1 1    1   37   10 o  116.522   6.2868  137.194   14.651      ?      ? 
1 1 1    1   37   11 o  114.841   6.4838  133.625   14.892      ?      ? 
1 1 1    1   37   12 o  138.995   5.5070  197.368   15.309      ?      ? 
1 1 1    1   38    5 o  135.705   3.1285  184.685   8.4911      ?      ? 
1 1 1    1   38    6 o   96.947   4.9700   94.775   9.6365      ?      ? 
1 1 1    1   38    7 o   89.503   6.1271   81.647   10.968      ?      ? 
1 1 1    1   38    8 o  120.602   5.2033  160.632   12.550      ?      ? 
1 1 1    2    0    2 o  669.868   6.4834  4484.16   86.677 -0.000000 0.000000 
1 1 1    2    0    3 o  921.503   8.9109  8510.88  164.148 -0.000000 0.000000 
1 1 1    2    0    4 o  794.755   7.6911  6326.50  122.174 -0.000000 0.000000 
1 1 1    2    0    5 o   91.612   2.4011   84.057   4.3801 -0.000000 0.000000 
1 1 1    2    0    6 o   59.119   3.9431   35.887   4.5849 -0.000000 0.000000 
1 1 1    2    0    7 o  384.720   3.8101  1481.04   29.299 -0.000000 0.000000 
1 1 1    2    0    8 o  545.652   5.3258  2980.14   58.090 -0.000000 0.000000 
1 1 1    2    0    9 o  124.110   2.9441  154.297   7.2825 -0.000000 0.000000 
1 1 1    2    0   10 o  351.198   3.5962  1234.46   25.246 -0.000000 0.000000 
1 1 1    2    0   11 o   97.927   4.1287   96.845   8.0201 -0.000000 0.000000 
1 1 1    2    0   12 o  365.013   3.7566  1333.86   27.408 -0.000000 0.000000 
1 1 1    2    0   13 o  187.450   2.9832  351.891   11.167 -0.000000 0.000000 
1 1 1    2    0   14 o  297.310   3.3365  883.959   19.809 -0.000000 0.000000 
1 1 1    2    0   15 o  298.272   3.4116  890.535   20.335 -0.000000 0.000000 
1 1 1    2    0   16 o  802.417   7.8328  6451.15  125.574 -0.000000 0.000000 
1 1 1    2    0   17 o  535.071   5.3558  2866.96   57.287 -0.000000 0.000000 
1 1 1    2    0   18 o  400.095   4.2903  1602.15   34.304 -0.000000 0.000000 
1 1 1    2    0   19 o  113.524   6.1712  131.466   13.817 -0.000000 0.000000 
1 1 1    2    0   20 o  595.522   5.9682  3549.86   71.024 -0.000000 0.000000 
1 1 1    2    0   21 o  312.395   4.1469  978.221   25.864 -0.000000 0.000000 
1 1 1    2    0   24 o   77.950   13.298   73.098   18.195 -0.000000 0.000000 
1 1 1    2    0   25 o  371.920   4.5009  1385.57   33.453 -0.000000 0.000000 
1 1 1    2    0   26 o   36.331   14.588   14.411   17.759 -0.000000 0.000000 
1 1 1    2    0   27 o  170.309   5.6482  292.902   19.061 -0.000000 0.000000 
1 1 1    2    0   28 o  423.678   4.7846  1799.21   40.506 -0.000000 0.000000 
1 1 1    2    0   29 o  224.551   4.5919  506.083   20.437 -0.000000 0.000000 
1 1 1    2    0   30 o  144.749   6.0723  208.387   17.225 -0.000000 0.000000 
1 1 1    2    0   31 o   28.467   12.527   1.8561   15.721 -0.000000 0.000000 
1 1 1    2    0   32 o  132.980   6.3130  179.813   16.490 -0.000000 0.000000 
1 1 1    2    0   33 o  326.992   4.3202  1073.04   28.187 -0.000000 0.000000 
1 1 1    2    0   34 o   21.397   10.542 -14.8397   14.907 -0.000000 0.000000 
1 1 1    2    0   38 o   18.219   9.4441 -41.6010   16.565 -0.000000 0.000000 
1 1 1    2    0   39 o  124.920   7.3766  162.897   17.316 -0.000000 0.000000 
1 1 1    2    0   40 o   34.968   14.434   17.017   16.988 -0.000000 0.000000 
1 1 1    2    0   41 o   45.901   15.653   33.006   16.407 -0.000000 0.000000 
1 1 1    2    0   42 o   73.600   12.502   64.932   15.609 -0.000000 0.000000 
1 1 1    2    1    2 f  289.376   2.0170  834.799   11.644 -12.82208 4.033915 
1 1 1    2    1    3 f  303.271   2.1159  919.079   12.825 6.977081 4.231839 
1 1 1    2    1    4 o  314.988   2.2064  992.166   13.897 -3.753540 4.412717 
1 1 1    2    1    5 o  600.283   4.1146  3605.01   49.387 7.567078 8.229109 
1 1 1    2    1    6 o  333.457   2.3532  1110.94   15.682 -8.965637 4.706450 
1 1 1    2    1    7 o  178.699   1.6372  319.332   5.8483 0.5201111 3.274445 
1 1 1    2    1    8 o  240.573   1.8971  578.828   9.1276 -0.4530182 3.794153 
1 1 1    2    1    9 o   55.590   4.1108   30.907   4.5690 1.206547 8.221538 
1 1 1    2    1   10 o  526.270   3.6498  2771.49   38.415 2.226990 7.299594 
1 1 1    2    1   11 o  256.069   2.0879  655.919   10.693 -0.1167908 4.175720 
1 1 1    2    1   12 o   86.180   3.3529   74.508   5.7623 7.220207 6.705786 
1 1 1    2    1   13 o  268.807   2.2097  722.897   11.880 -0.8435059E-01 4.419441 
1 1 1    2    1   14 o  261.898   2.2352  686.158   11.708 2.181427 4.470495 
1 1 1    2    1   15 f  421.123   3.0467  1774.77   25.661 -1.159149 6.093449 
1 1 1    2    1   16 o  389.696   4.1344  1519.52   32.223      ?      ? 
1 1 1    2    1   17 o   46.368   8.6389   22.251   8.1840 7.877213 17.27780 
1 1 1    2    1   18 f  229.315   2.6197  525.991   12.010 -0.7592468 5.239326 
1 1 1    2    1   20 o   20.617   7.1635 -30.5858   10.312 0.5146961 14.32700 
1 1 1    2    1   21 o  531.769   3.8636  2828.90   41.081 7.863525 7.727169 
1 1 1    2    1   22 o  533.436   3.9161  2847.18   41.773 -5.934998 7.832145 
1 1 1    2    1   23 o  291.920   4.3685  852.616   25.505      ?      ? 
1 1 1    2    1   24 o  403.167   3.2910  1624.21   26.512 13.34952 6.581928 
1 1 1    2    1   25 o  137.695   4.8092  189.936   13.244 1.381256 9.618468 
1 1 1    2    1   26 o  298.484   3.0541  891.629   18.231 -3.039581 6.108179 
1 1 1    2    1   27 o  180.704   3.8026  327.085   13.742 -2.941742 7.605266 
1 1 1    2    1   28 o  336.391   3.0808  1132.56   20.724 6.781189 6.161658 
1 1 1    2    1   29 o  204.889   3.3773  420.742   13.839 0.9946442 6.754558 
1 1 1    2    1   30 o  270.166   2.9946  731.260   16.180 0.8819275 5.989289 
1 1 1    2    1   31 o   28.415   9.1063  -8.5528   11.172 0.5086651 18.21263 
1 1 1    2    1   32 o   24.824   8.3473 -19.9270   11.317 3.065081 16.69452 
1 1 1    2    1   34 f   28.090   8.9557  -9.0643   10.904 6.721762 17.91133 
1 1 1    2    1   35 o  145.900   4.0496  215.400   11.804 8.117416 8.099221 
1 1 1    2    1   37 o   88.457   6.3946   80.171   11.306 -4.544121 12.78927 
1 1 1    2    1   39 o   80.528   7.4116   67.273   11.896 -6.551193 14.82317 
1 1 1    2    1   40 o   65.540   9.4247   46.970   12.120 -17.55953 18.84943 
1 1 1    2    1   41 o   64.551   9.4820   45.301   11.830 0.4535599 18.96396 
1 1 1    2    1   42 o  111.819   6.8669  128.208   15.357      ?      ? 
1 1 1    2    2    1 o  835.787   11.439  7006.15  191.207      ?      ? 
1 1 1    2    2    2 o  277.879   1.9402  771.943   10.778 4.374908 3.880335 
1 1 1    2    2    3 o  503.947   3.4555  2538.98   34.807 -10.74524 6.911052 
1 1 1    2    2    4 o  286.397   2.0244  819.981   11.592 -5.002747 4.048841 
1 1 1    2    2    5 o  322.164   2.2656  1038.09   14.598 -1.393524 4.531169 
1 1 1    2    2    6 o  314.991   2.2414  991.952   14.116 4.926849 4.482875 
1 1 1    2    2    7 o  775.857   5.3126  6024.84   82.429 -5.900330 10.62511 
1 1 1    2    2    8 o  467.822   3.2501  2187.75   30.392 9.664612 6.500251 
1 1 1    2    2    9 o  197.674   1.8435  389.776   7.2781 10.20883 3.687032 
1 1 1    2    2   10 o  497.946   3.4639  2480.81   34.493 4.587036 6.927898 
1 1 1    2    2   11 o  166.251   2.0130  276.367   6.6914 2.865707 4.025919 
1 1 1    2    2   12 f  201.063   2.0206  404.387   8.1250 1.399368 4.041113 
1 1 1    2    2   13 o  350.874   2.5986  1231.44   18.231 -5.370483 5.197229 
1 1 1    2    2   14 o  152.497   2.3947  232.715   7.3014 4.690781 4.789443 
1 1 1    2    2   15 o  175.282   2.3877  307.463   8.3643 1.351318 4.775302 
1 1 1    2    2   16 o  343.259   2.6701  1178.74   18.330 3.873993 5.340290 
1 1 1    2    2   17 o   44.674   8.6985   20.583   8.2499 -12.14470 17.39692 
1 1 1    2    2   18 o  362.502   2.8574  1314.61   20.716 -1.126160 5.714787 
1 1 1    2    2   19 o  164.135   3.3338  269.191   10.935 5.051712 6.667499 
1 1 1    2    2   20 o  404.520   3.1434  1636.80   25.428 -4.851990 6.286813 
1 1 1    2    2   23 o   88.612   10.260   78.758   18.182      ?      ? 
1 1 1    2    2   24 o  300.386   3.0714  902.867   18.451 -3.645386 6.142857 
1 1 1    2    2   25 o  317.527   3.0734  1008.87   19.517 -4.680511 6.146874 
1 1 1    2    2   26 o  179.400   3.7983  322.292   13.628 -0.1465149 7.596505 
1 1 1    2    2   27 o  192.812   3.6112  372.336   13.925 0.1379852 7.222332 
1 1 1    2    2   28 o  180.908   3.7086  327.833   13.417 -3.525391 7.417297 
1 1 1    2    2   29 f  207.446   3.3363  431.262   13.841 1.809677 6.672521 
1 1 1    2    2   30 o  289.464   2.9612  839.355   17.142 4.192139 5.922455 
1 1 1    2    2   31 f   89.649   6.3998   81.974   11.354 13.96291 12.79966 
1 1 1    2    2   32 o  168.278   3.7087  284.307   12.476 2.893280 7.417427 
1 1 1    2    2   34 o   84.868   6.5505   73.576   11.034 -12.00677 13.10093 
1 1 1    2    2   35 o  124.282   6.5235  157.097   16.215      ?      ? 
1 1 1    2    2   36 o  101.777   5.4419  104.687   11.061 1.359497 10.88373 
1 1 1    2    2   37 o   18.415   9.2896 -51.5627   16.193      ?      ? 
1 1 1    2    2   38 o  152.856   4.1723  236.610   12.704 -16.93713 8.344590 
1 1 1    2    2   39 o   65.698   9.2291   46.590   11.864 -8.990742 18.45816 
1 1 1    2    2   40 o  107.030   5.8103  117.514   12.406 -8.315865 11.62060 
1 1 1    2    2   41 f  114.488   5.3452  133.164   12.233 5.080154 10.69046 
1 1 1    2    2   42 o   68.537   8.5682   51.682   11.356 -17.99816 17.13639 
1 1 1    2    3    1 o  370.742   5.1076  1375.31   37.872      ?      ? 
1 1 1    2    3    2 o  238.720   2.1026  559.749   9.2323 -10.72072 4.205146 
1 1 1    2    3    3 o  819.891   5.6082  6727.64   91.921 -14.93445 11.21646 
1 1 1    2    3    4 o  600.582   4.1154  3605.86   49.393 -14.66003 8.230821 
1 1 1    2    3    5 o  203.574   1.6081  413.865   6.5416 -6.744720 3.216290 
1 1 1    2    3    6 o  294.655   2.1231  867.888   12.507 5.381744 4.246248 
1 1 1    2    3    7 o  447.008   3.1027  1998.56   27.736 3.972015 6.205439 
1 1 1    2    3    8 o  531.572   3.6702  2827.04   39.019 -0.9937744 7.340400 
1 1 1    2    3    9 o  223.386   1.9052  498.513   8.5064 7.276001 3.810410 
1 1 1    2    3   10 o  349.637   2.5336  1222.79   17.715 -3.307190 5.067292 
1 1 1    2    3   11 o  238.482   2.0408  568.877   9.7333 -2.367142 4.081547 
1 1 1    2    3   12 o  104.332   2.8586  108.922   5.9636 -0.3553925 5.717237 
1 1 1    2    3   13 o  390.017   2.8222  1521.99   22.011 -3.831757 5.644321 
1 1 1    2    3   14 o  166.545   2.2906  277.465   7.6280 -0.9214325 4.581216 
1 1 1    2    3   15 o  294.562   2.4084  868.028   14.188 -1.054352 4.816781 
1 1 1    2    3   17 o  329.889   2.6614  1087.23   17.541 9.288177 5.322737 
1 1 1    2    3   18 o  730.572   5.0684  5343.76   74.051 5.398926 10.13674 
1 1 1    2    3   19 o  258.640   2.7144  668.604   14.035 8.140594 5.428717 
1 1 1    2    3   20 o  371.440   3.0103  1380.03   22.360 -4.006012 6.020626 
1 1 1    2    3   21 o  274.185   3.0095  752.005   16.499 1.641968 6.018922 
1 1 1    2    3   22 o  186.877   5.3759  349.480   20.093      ?      ? 
1 1 1    2    3   23 o  612.203   4.3865  3752.37   53.708 -1.741699 8.772976 
1 1 1    2    3   24 o  289.799   3.0643  839.528   17.752 -10.21136 6.128553 
1 1 1    2    3   25 o  282.230   3.0584  797.155   17.264 0.3152161 6.116883 
1 1 1    2    3   26 o  178.382   3.7639  318.699   13.426 -1.957184 7.527782 
1 1 1    2    3   27 o  179.024   3.7493  321.083   13.421 -4.931213 7.498688 
1 1 1    2    3   28 o  153.600   6.0255  236.476   18.511      ?      ? 
1 1 1    2    3   29 o  156.810   4.0385  247.175   12.633 -12.61917 8.076978 
1 1 1    2    3   30 o   97.934   5.9593   96.669   11.669 -1.733597 11.91858 
1 1 1    2    3   31 o   36.042   10.219   6.8797   11.202 -0.5907478 20.43753 
1 1 1    2    3   32 o  114.427   5.1933  132.251   11.881 -1.968636 10.38658 
1 1 1    2    3   33 o  175.602   5.4281  308.932   19.064      ?      ? 
1 1 1    2    3   34 o  129.169   4.4239  168.123   11.428 -1.507675 8.847748 
1 1 1    2    3   36 o  147.210   3.9008  217.722   11.474 -8.136688 7.801587 
1 1 1    2    3   37 o   20.121   7.0904 -40.7307   11.462 0.5077019 14.18083 
1 1 1    2    3   38 o  124.442   4.9511  157.397   12.316 5.060539 9.902229 
1 1 1    2    3   39 o   30.614   9.5998  -5.3359   11.862 6.294388 19.19962 
1 1 1    2    3   40 o   58.395   10.280   37.817   12.127 14.72571 20.55942 
1 1 1    2    3   41 f   83.725   7.0519   71.968   11.770 -9.057755 14.10373 
1 1 1    2    3   42 o   52.147   13.697   34.699   14.470      ?      ? 
1 1 1    2    4    1 o  328.155   4.5517  1077.35   29.873      ?      ? 
1 1 1    2    4    2 o  295.767   2.5443  869.479   14.059 -5.180939 5.088587 
1 1 1    2    4    3 o  357.250   2.4782  1276.39   17.705 3.418396 4.956465 
1 1 1    2    4    4 o  284.858   2.0272  810.979   11.543 -6.177338 4.054350 
1 1 1    2    4    5 o  571.734   3.9262  3270.41   44.893 -3.909363 7.852478 
1 1 1    2    4    6 o  533.392   3.6718  2846.22   39.168 -3.242859 7.343553 
1 1 1    2    4    7 o  415.606   2.9010  1727.67   24.113 2.832764 5.802085 
1 1 1    2    4    8 o  507.281   3.5108  2574.61   35.619 0.4183655 7.021574 
1 1 1    2    4    9 o  121.666   2.1764  147.727   5.2894 -7.716049 4.352743 
1 1 1    2    4   10 o  415.744   2.9374  1729.25   24.421 -3.395294 5.874788 
1 1 1    2    4   11 o  292.267   2.2491  854.551   13.146 1.512146 4.498113 
1 1 1    2    4   12 o  384.688   2.7773  1480.84   21.367 -1.513184 5.554512 
1 1 1    2    4   13 o  202.098   2.1110  408.320   8.5279 -3.995285 4.222042 
1 1 1    2    4   14 f  172.914   2.2860  299.160   7.9044 3.596069 4.572062 
1 1 1    2    4   15 o  134.485   2.9308  180.903   7.8809 -4.406754 5.861664 
1 1 1    2    4   16 o  141.359   3.0784  199.410   8.6850 12.81056 6.156749 
1 1 1    2    4   17 o  187.632   2.6456  351.993   9.9247 3.998062 5.291222 
1 1 1    2    4   18 o  355.111   2.8724  1261.44   20.399 3.650879 5.744705 
1 1 1    2    4   19 o  814.620   5.6408  6644.86   91.895 5.988403 11.28151 
1 1 1    2    4   20 o  614.580   4.3422  3780.61   53.373 -0.1205444 8.684461 
1 1 1    2    4   21 o  406.198   3.2373  1650.83   26.299 -0.2874451 6.474676 
1 1 1    2    4   22 o  469.319   5.1122  2203.99   47.985      ?      ? 
1 1 1    2    4   23 o  316.109   3.0945  999.966   19.562 -5.403870 6.189043 
1 1 1    2    4   24 o  220.621   4.6848  487.087   20.671      ?      ? 
1 1 1    2    4   25 o  284.023   3.0482  807.326   17.315 2.549255 6.096472 
1 1 1    2    4   26 o  217.330   3.3716  472.769   14.651 6.874176 6.743239 
1 1 1    2    4   27 o  184.573   3.6810  341.279   13.585 -4.616760 7.361953 
1 1 1    2    4   28 o  300.042   4.2514  901.342   25.512      ?      ? 
1 1 1    2    4   29 o   88.953   6.7061   79.796   11.927 3.186005 13.41223 
1 1 1    2    4   30 o  177.960   3.5480  317.344   12.623 5.932220 7.096077 
1 1 1    2    4   31 o   27.280   8.8761 -11.6445   11.209 -0.1160030 17.75216 
1 1 1    2    4   32 o  138.455   4.5045  194.171   12.411 -13.76398 9.009060 
1 1 1    2    4   33 o  154.087   6.3395  238.206   19.537      ?      ? 
1 1 1    2    4   34 o  104.898   5.4370  111.355   11.401 -0.1248016 10.87401 
1 1 1    2    4   36 o   20.850   7.2724 -33.2641   11.003 -0.2850628 14.54485 
1 1 1    2    4   37 o   29.220   9.2553  -9.8902   11.680 9.880821 18.51057 
1 1 1    2    4   38 f   54.004   10.631   32.530   11.880 1.913227 21.26141 
1 1 1    2    4   39 o  122.020   5.0884  151.253   12.398 -0.1163559 10.17681 
1 1 1    2    4   40 o   45.405   10.349   19.895   12.070 -21.67441 20.69727 
1 1 1    2    4   41 o   81.320   7.2781   67.977   11.828 3.573830 14.55614 
1 1 1    2    5    0 o  367.326   5.0682  1350.01   37.234      ?      ? 
1 1 1    2    5    1 o  386.068   5.3321  1491.37   41.171      ?      ? 
1 1 1    2    5    2 o  525.738   4.4164  2774.26   44.010 4.968506 8.832759 
1 1 1    2    5    3 o  336.879   2.3546  1133.07   15.842 10.81311 4.709236 
1 1 1    2    5    4 o  538.675   3.7027  2903.09   39.890 -2.190002 7.405331 
1 1 1    2    5    5 o  373.764   2.6116  1397.12   19.520 3.481323 5.223166 
1 1 1    2    5    6 f  540.664   3.7236  2924.43   40.262 -2.695862 7.447101 
1 1 1    2    5    7 o  106.681   1.9860  113.827   4.2372 1.267830 3.972018 
1 1 1    2    5    8 o  541.634   3.7394  2935.37   40.505 3.853027 7.478758 
1 1 1    2    5    9 o  368.053   2.6297  1353.74   19.343 9.713287 5.259480 
1 1 1    2    5   10 o  218.614   1.9343  478.058   8.4570 -0.1372223 3.868524 
1 1 1    2    5   11 o   82.324   3.3442   67.875   5.4961 0.7689514 6.688439 
1 1 1    2    5   12 o  251.864   2.1322  634.582   10.740 4.073898 4.264410 
1 1 1    2    5   13 o  317.856   2.4298  1009.61   15.434 9.590759 4.859563 
1 1 1    2    5   14 o  235.481   2.2071  554.833   10.391 1.805923 4.414276 
1 1 1    2    5   15 o  191.934   3.4762  368.542   13.344      ?      ? 
1 1 1    2    5   16 o  307.598   2.5457  946.464   15.660 -1.599152 5.091318 
1 1 1    2    5   17 o  118.489   3.7906  140.426   8.9559 -12.49538 7.581216 
1 1 1    2    5   18 o  221.541   2.7212  491.058   12.054 -2.208572 5.442392 
1 1 1    2    5   19 o  311.286   2.7565  969.320   17.161 -1.551544 5.512996 
1 1 1    2    5   20 o  228.574   2.8814  522.280   13.163 4.371887 5.762784 
1 1 1    2    5   21 o  249.339   3.0019  620.656   14.945 8.857544 6.003713 
1 1 1    2    5   22 o  410.364   3.2879  1683.84   26.967 6.389008 6.575740 
1 1 1    2    5   23 o  230.165   3.2596  529.985   14.988 1.450684 6.519111 
1 1 1    2    5   24 o  228.009   4.5200  520.256   20.612      ?      ? 
1 1 1    2    5   25 o  215.895   3.3604  466.356   14.495 2.114105 6.720824 
1 1 1    2    5   26 o  479.836   3.6422  2305.60   34.950 1.668732 7.284421 
1 1 1    2    5   27 o  187.647   3.6900  352.588   13.828 1.096100 7.379997 
1 1 1    2    5   28 o  208.896   3.3584  436.410   14.016 7.001282 6.716744 
1 1 1    2    5   29 o  228.387   3.1009  522.637   14.162 -1.649979 6.201788 
1 1 1    2    5   30 o  160.493   3.8115  258.815   12.215 -5.557388 7.622940 
1 1 1    2    5   31 f   66.909   8.5626   46.546   11.196 -4.879105 17.12526 
1 1 1    2    5   32 f   24.851   11.906 -22.5106   16.841      ?      ? 
1 1 1    2    5   33 o   27.359   12.681 -13.5964   16.547      ?      ? 
1 1 1    2    5   34 o   48.056   10.446   23.474   11.415 14.72015 20.89200 
1 1 1    2    5   36 o   46.083   10.632   21.930   11.426 -8.037479 21.26375 
1 1 1    2    5   37 o   87.065   9.3722   77.370   16.320      ?      ? 
1 1 1    2    5   38 o  134.445   4.5601  183.099   12.237 0.7577515 9.120141 
1 1 1    2    5   39 o   44.178   10.884   18.470   11.952 10.46976 21.76872 
1 1 1    2    5   40 o   73.822   8.5486   59.314   11.966 -18.45517 17.09713 
1 1 1    2    5   41 o  103.277   5.8222  108.480   12.025 1.816460 11.64430 
1 1 1    2    6    0 f  508.607   4.9487  2587.65   50.317 -9.862946 9.897389 
1 1 1    2    6    1 o  546.445   5.3047  2988.11   57.959 7.669312 10.60947 
1 1 1    2    6    2 o  366.338   3.1212  1349.63   21.748 6.404449 6.242406 
1 1 1    2    6    3 o  437.001   4.2754  1910.31   37.367      ?      ? 
1 1 1    2    6    4 o  368.323   2.5701  1356.79   18.931 -2.897339 5.140264 
1 1 1    2    6    5 f  541.742   3.7285  2933.28   40.366 -13.13306 7.456926 
1 1 1    2    6    6 o  596.368   4.1009  3557.80   48.902 -7.761841 8.201845 
1 1 1    2    6    7 o  352.266   2.5034  1240.04   17.625 8.681244 5.006849 
1 1 1    2    6    8 o  334.456   2.4118  1118.93   16.132 -1.884247 4.823502 
1 1 1    2    6    9 o  138.217   1.9699  191.035   5.4447 -2.769363 3.939880 
1 1 1    2    6   10 o  330.160   2.4264  1090.16   16.017 -5.184845 4.852787 
1 1 1    2    6   11 o  385.438   2.7700  1486.65   21.353 -0.4098511 5.540060 
1 1 1    2    6   12 o  329.623   2.4728  1085.85   16.290 9.917999 4.945508 
1 1 1    2    6   13 o  250.998   2.2009  630.257   11.047 -0.2582092 4.401840 
1 1 1    2    6   15 o  507.508   3.5962  2577.62   36.501 -3.021759 7.192497 
1 1 1    2    6   16 o   91.254   4.4805   83.441   8.1667 -5.256653 8.960948 
1 1 1    2    6   17 f  219.411   2.5567  481.450   11.217 2.501572 5.113472 
1 1 1    2    6   18 o  111.153   6.2659  123.656   13.929      ?      ? 
1 1 1    2    6   19 o  401.603   3.0792  1612.83   24.722 6.207092 6.158425 
1 1 1    2    6   20 o  196.627   3.1459  386.858   12.369 -1.816605 6.291720 
1 1 1    2    6   21 o  617.653   4.3976  3816.38   54.299 11.76050 8.795293 
1 1 1    2    6   22 o  402.921   3.2792  1623.23   26.416 -12.86264 6.558480 
1 1 1    2    6   23 o  181.842   3.6893  331.159   13.402 -2.571304 7.378632 
1 1 1    2    6   24 o  234.381   3.2081  549.909   15.021 -1.197845 6.416179 
1 1 1    2    6   25 o   74.986   8.4256   56.415   12.616 5.282356 16.85127 
1 1 1    2    6   26 o  251.968   3.1557  635.366   15.883 1.724258 6.311366 
1 1 1    2    6   27 o  173.867   3.8621  303.075   13.399 -2.054703 7.724174 
1 1 1    2    6   28 f  171.738   3.7743  295.429   12.941 2.094223 7.548691 
1 1 1    2    6   29 o  167.735   3.7597  282.094   12.569 0.6146240E-01 7.519338 
1 1 1    2    6   30 o   43.508   10.473   17.645   11.335 -10.62869 20.94679 
1 1 1    2    6   31 o   91.275   6.1719   84.317   11.207 -0.9356766 12.34383 
1 1 1    2    6   32 o   31.698   13.796  -2.3725   16.350      ?      ? 
1 1 1    2    6   34 o   38.023   10.068   9.9254   11.081 -12.39545 20.13572 
1 1 1    2    6   36 f   30.094   9.4515  -5.3312   11.538 -4.844364 18.90300 
1 1 1    2    6   37 o   94.245   9.1955   90.347   17.333      ?      ? 
1 1 1    2    6   38 o   39.128   10.626   11.079   11.847 7.811749 21.25146 
1 1 1    2    6   39 o   58.277   10.102   36.868   11.919 19.16502 20.20457 
1 1 1    2    6   40 o   73.302   8.3315   56.610   11.872 11.98763 16.66291 
1 1 1    2    6   41 o   74.874   8.2204   59.162   11.826 -17.20381 16.44073 
1 1 1    2    7    0 o  208.728   2.1941  434.905   9.1503 11.77994 4.388237 
1 1 1    2    7    1 o  645.078   8.8524  4166.81  114.210      ?      ? 
1 1 1    2    7    2 o  499.670   4.2530  2463.92   39.428 -18.00085 8.506019 
1 1 1    2    7    3 o  475.640   6.5735  2264.02   62.532      ?      ? 
1 1 1    2    7    4 o  429.067   2.9802  1841.45   25.572 2.595612 5.960339 
1 1 1    2    7    5 o  502.167   3.4691  2522.01   34.831 7.280365 6.938231 
1 1 1    2    7    6 o  247.368   1.8898  611.686   9.3467 -5.136276 3.779654 
1 1 1    2    7    7 o  403.655   2.8306  1628.55   22.835 9.832001 5.661136 
1 1 1    2    7    8 f  112.821   2.1156  127.336   4.7708 0.2282333 4.231233 
1 1 1    2    7    9 o  285.829   2.1708  817.299   12.409 -0.3251038 4.341576 
1 1 1    2    7   10 f  273.671   2.1449  749.120   11.739 3.576843 4.289814 
1 1 1    2    7   11 o  147.351   2.1518  217.260   6.3398 1.616165 4.303653 
1 1 1    2    7   12 o  493.581   3.4635  2438.71   34.189 3.115204 6.927039 
1 1 1    2    7   13 f  349.692   2.6229  1223.48   18.343 -1.116943 5.245760 
1 1 1    2    7   14 o  247.591   2.3121  613.169   11.448 3.317307 4.624104 
1 1 1    2    7   15 o  436.638   3.1658  1907.55   27.646 -2.995819 6.331667 
1 1 1    2    7   16 o  338.084   2.6829  1143.46   18.141 -1.035797 5.365816 
1 1 1    2    7   17 o  271.683   2.5530  738.142   13.870 5.151337 5.105903 
1 1 1    2    7   18 o  178.822   3.0684  319.968   10.971 -1.541107 6.136827 
1 1 1    2    7   19 o  406.589   3.1059  1653.85   25.256 -2.443298 6.211898 
1 1 1    2    7   20 o  506.531   5.2371  2567.46   53.055      ?      ? 
1 1 1    2    7   21 o   64.040   14.024   42.833   17.469      ?      ? 
1 1 1    2    7   22 o  156.639   4.1899  245.588   13.117 0.7650909 8.379792 
1 1 1    2    7   24 o  380.461   3.1705  1448.68   24.124 0.5509949 6.340987 
1 1 1    2    7   25 o  184.885   3.6567  342.147   13.519 3.368759 7.313374 
1 1 1    2    7   26 o  104.772   5.9535  110.239   12.457 -0.1242828 11.90709 
1 1 1    2    7   27 o  108.775   8.2461  118.817   17.939      ?      ? 
1 1 1    2    7   28 o  173.067   3.6765  299.922   12.713 4.687927 7.353055 
1 1 1    2    7   29 o  211.295   3.2027  447.263   13.513 0.9891968 6.405492 
1 1 1    2    7   30 o  202.143   3.2500  409.665   13.106 0.7471008 6.499956 
1 1 1    2    7   31 o  236.710   2.9867  561.312   14.104 3.077621 5.973409 
1 1 1    2    7   33 o  188.111   3.3316  354.543   12.449 4.726639 6.663202 
1 1 1    2    7   34 o   93.035   6.0401   88.261   11.094 -1.969734 12.08028 
1 1 1    2    7   35 o  171.001   5.2091  293.177   17.815      ?      ? 
1 1 1    2    7   36 o   32.206   9.8577  -0.5103   11.694 -1.010736 19.71538 
1 1 1    2    7   37 o   63.265   9.6441   42.662   11.796 6.038185 19.28821 
1 1 1    2    7   38 o  101.984   5.9396  104.085   11.955 23.12344 11.87926 
1 1 1    2    7   39 f   27.589   9.0157 -11.6750   11.712 -0.3898125 18.03140 
1 1 1    2    7   40 o   46.385   10.637   22.070   11.840 -14.35401 21.27394 
1 1 1    2    7   41 o   54.588   10.394   32.816   11.677 7.094734 20.78875 
1 1 1    2    8    0 o  508.040   4.9665  2582.66   50.446 5.281403 9.933022 
1 1 1    2    8    1 o  469.139   4.6162  2202.29   43.297 2.873444 9.232459 
1 1 1    2    8    2 o  526.024   7.2452  2769.84   76.223      ?      ? 
1 1 1    2    8    3 f  363.965   3.1301  1337.88   21.851 12.66202 6.260283 
1 1 1    2    8    4 o  177.648   2.1438  315.624   7.6170      ?      ? 
1 1 1    2    8    5 o  659.441   4.5430  4353.41   59.916 -1.791626 9.086031 
1 1 1    2    8    6 o  647.514   4.4581  4197.92   57.731 3.348816 8.916110 
1 1 1    2    8    7 o  229.388   1.8531  525.833   8.4974 8.179642 3.706126 
1 1 1    2    8    8 o  412.080   2.9027  1699.31   23.922 -0.8712769E-01 5.805304 
1 1 1    2    8    9 o  303.571   2.2665  921.915   13.759 -1.259430 4.532956 
1 1 1    2    8   10 o  392.300   2.7996  1540.05   21.965 2.287506 5.599239 
1 1 1    2    8   11 o  220.543   2.0333  486.520   8.9679 4.149292 4.066630 
1 1 1    2    8   12 o  121.814   2.6528  148.423   6.4613 -3.975578 5.305696 
1 1 1    2    8   13 o  240.130   2.2285  576.818   10.702 -0.5355072 4.457092 
1 1 1    2    8   14 o  186.969   2.3914  349.403   8.9385 5.613663 4.782864 
1 1 1    2    8   15 o  315.055   2.5587  992.754   16.120 3.219818 5.117471 
1 1 1    2    8   16 o  260.195   2.4956  677.277   12.986 -1.828339 4.991124 
1 1 1    2    8   17 o  504.205   3.6381  2542.95   36.677 6.302887 7.276136 
1 1 1    2    8   18 f  206.935   2.8100  428.425   11.628 -2.926178 5.620008 
1 1 1    2    8   19 f  488.041   3.5729  2383.29   34.874 2.567719 7.145767 
1 1 1    2    8   21 o  307.778   4.2308  947.683   26.043      ?      ? 
1 1 1    2    8   22 o   66.000   9.3843   45.523   11.948 -5.489460 18.76851 
1 1 1    2    8   23 o  281.807   3.0146  794.536   16.986 -8.939636 6.029113 
1 1 1    2    8   24 o  180.833   3.6856  327.259   13.314 1.476227 7.371256 
1 1 1    2    8   25 o  249.384   3.0946  622.811   15.420 -2.588470 6.189114 
1 1 1    2    8   26 o  280.057   3.0128  785.270   16.865 -0.8367920 6.025622 
1 1 1    2    8   27 o  155.324   4.1164  241.600   12.780 3.743042 8.232788 
1 1 1    2    8   28 o  141.320   4.2802  200.258   12.089 3.357956 8.560408 
1 1 1    2    8   29 o   90.544   6.3403   82.773   11.472 -1.867172 12.68065 
1 1 1    2    8   30 o  130.782   4.4617  172.293   11.638 -3.018204 8.923444 
1 1 1    2    8   31 o   64.774   8.9088   43.928   11.278 16.50597 17.81756 
1 1 1    2    8   33 o   73.067   7.4833   54.327   10.914 5.526680 14.96658 
1 1 1    2    8   34 o   19.774   6.9710 -39.9639   11.202 -2.171974 13.94205 
1 1 1    2    8   35 o  137.453   4.3089  190.048   11.841 2.482956 8.617889 
1 1 1    2    8   36 o   44.975   10.413   19.137   11.361 17.64835 20.82651 
1 1 1    2    8   37 o   36.152   10.362   7.0901   11.615 1.803719 20.72371 
1 1 1    2    8   38 o   51.853   10.719   28.454   11.829 12.44492 21.43711 
1 1 1    2    8   39 f   53.015   10.676   31.744   11.959 -7.700386 21.35136 
1 1 1    2    8   40 o   36.917   10.138   3.2922   11.855 20.11691 20.27592 
1 1 1    2    8   41 o  126.312   6.6190  165.418   16.666 -4.735657 13.23803 
1 1 1    2    9    0 o  175.732   2.0331  309.095   7.1389 8.609634 4.066256 
1 1 1    2    9    1 o  334.341   3.3577  1118.44   22.452 -3.259827 6.715446 
1 1 1    2    9    2 o  311.245   2.7412  966.999   16.043 -1.957397 5.482418 
1 1 1    2    9    3 o  403.221   5.6443  1627.37   45.518      ?      ? 
1 1 1    2    9    5 o  575.746   3.9866  3318.20   45.900 5.176453 7.973276 
1 1 1    2    9    6 o  336.319   2.4021  1131.57   16.157 2.242676 4.804245 
1 1 1    2    9    7 o  438.188   3.0637  1920.99   26.842 -5.945160 6.127381 
1 1 1    2    9    8 o  420.361   2.9540  1768.01   24.830 -4.654175 5.908044 
1 1 1    2    9    9 o  318.324   2.3558  1013.83   14.998 0.7489319 4.711556 
1 1 1    2    9   10 o  229.274   2.0062  525.822   9.1991 -1.435806 4.012475 
1 1 1    2    9   11 o  196.488   2.0431  386.244   8.0281 2.414108 4.086136 
1 1 1    2    9   12 o  118.348   2.7942  140.277   6.6063 5.949615 5.588410 
1 1 1    2    9   13 o  267.054   2.3164  713.047   12.368 5.880981 4.632791 
1 1 1    2    9   14 o  177.424   2.4885  314.405   8.8234 7.880844 4.976985 
1 1 1    2    9   15 o  392.704   2.9415  1540.35   23.075 12.24432 5.883086 
1 1 1    2    9   16 o  623.404   4.3623  3888.95   54.381 6.576355 8.724644 
1 1 1    2    9   17 o  191.595   2.8985  367.175   11.098 0.6266937 5.797071 
1 1 1    2    9   18 o  151.306   3.4574  229.266   10.450 8.430847 6.914774 
1 1 1    2    9   20 o  240.084   3.1321  576.512   15.036 -7.575745 6.264217 
1 1 1    2    9   21 o  163.917   3.8914  269.333   12.738 -6.800995 7.782884 
1 1 1    2    9   22 o  398.415   4.4890  1588.35   35.770      ?      ? 
1 1 1    2    9   23 o   90.193   6.7619   81.583   12.174 0.9881744 13.52384 
1 1 1    2    9   24 o  235.678   3.1590  556.282   14.864 -2.485794 6.317932 
1 1 1    2    9   25 o  235.419   3.1741  554.239   14.906 3.469437 6.348147 
1 1 1    2    9   26 o  289.282   3.0126  837.634   17.412 1.000702 6.025213 
1 1 1    2    9   27 o   38.085   10.501   8.4333   11.852 -6.821724 21.00234 
1 1 1    2    9   28 o  232.531   3.0626  542.486   14.221 -9.451584 6.125144 
1 1 1    2    9   29 o  127.977   4.5138  165.158   11.506 -6.481842 9.027639 
1 1 1    2    9   30 o  196.495   3.2124  384.779   12.572 13.38721 6.424882 
1 1 1    2    9   31 o   17.689   8.9432 -52.7958   15.535      ?      ? 
1 1 1    2    9   32 o  106.571   7.4657  114.606   15.912      ?      ? 
1 1 1    2    9   33 o  127.750   4.5079  164.943   11.476 -3.600266 9.015753 
1 1 1    2    9   35 o   91.266   6.1654   85.482   11.198 -9.325424 12.33085 
1 1 1    2    9   36 o   89.251   6.5191   82.817   11.416 -15.93488 13.03821 
1 1 1    2    9   37 o   25.418   8.4873 -19.7245   11.458 8.145784 16.97465 
1 1 1    2    9   38 o  100.702   5.9541  103.800   11.931 -2.234833 11.90823 
1 1 1    2    9   39 o   47.412   10.813   23.396   11.793 10.09269 21.62682 
1 1 1    2    9   40 o   83.723   7.0832   71.657   11.836 5.630371 14.16631 
1 1 1    2    9   41 o   38.918   11.153   24.955   15.558 -17.60801 22.30612 
1 1 1    2   10    0 o  488.127   4.1687  2402.45   38.680 -11.45691 8.337371 
1 1 1    2   10    1 o  281.097   2.9055  790.642   16.334 -0.2055664 5.810962 
1 1 1    2   10    2 o  188.680   2.0189  357.763   6.9942 2.244659 4.037720 
1 1 1    2   10    3 o  332.609   4.7789  1107.28   31.790      ?      ? 
1 1 1    2   10    4 f  184.055   3.5085  338.934   12.915      ?      ? 
1 1 1    2   10    5 o  192.805   2.3096  371.823   8.9061      ?      ? 
1 1 1    2   10    6 o  207.482   1.7350  430.257   7.1948 -4.264618 3.470044 
1 1 1    2   10    7 o  276.839   2.0837  766.562   11.535 -2.460785 4.167376 
1 1 1    2   10    8 o  373.805   2.6677  1398.22   19.944 0.4193420 5.335499 
1 1 1    2   10    9 o   76.853   3.2779   59.219   5.0296 4.107910 6.555729 
1 1 1    2   10   10 o  224.121   2.8577  502.473   12.810      ?      ? 
1 1 1    2   10   11 o  351.878   2.6050  1238.75   18.332 2.160645 5.209974 
1 1 1    2   10   12 o  681.143   4.7065  4646.27   64.115 -2.192139 9.413070 
1 1 1    2   10   13 o  380.378   2.8234  1445.27   21.456 12.37979 5.646796 
1 1 1    2   10   14 o  120.165   3.2288  144.358   7.7518 7.684692 6.457558 
1 1 1    2   10   15 o  221.346   2.5030  489.877   11.071 -12.89342 5.005932 
1 1 1    2   10   16 f  244.481   2.6013  597.869   12.719 1.511627 5.202676 
1 1 1    2   10   17 o  159.768   3.2808  255.497   10.479 -3.967072 6.561693 
1 1 1    2   10   18 o   80.282   6.4512   64.544   10.351 -4.356270 12.90245 
1 1 1    2   10   20 o  283.174   4.1646  802.219   23.586      ?      ? 
1 1 1    2   10   21 o  275.457   2.9631  759.052   16.318 2.129364 5.926152 
1 1 1    2   10   22 o  315.973   2.9822  998.437   18.837 -14.30624 5.964493 
1 1 1    2   10   23 o  203.729   3.3421  415.767   13.593 -2.756439 6.684285 
1 1 1    2   10   24 o  103.117   5.9508  106.691   12.249 0.4155502 11.90159 
1 1 1    2   10   25 o  145.314   4.3283  211.279   12.549 3.392975 8.656660 
1 1 1    2   10   26 f  138.542   5.9584  192.375   16.510      ?      ? 
1 1 1    2   10   27 o  115.358   5.1338  133.454   11.797 2.963631 10.26763 
1 1 1    2   10   28 o  163.687   3.7151  269.519   12.105 -5.987427 7.430197 
1 1 1    2   10   29 o   23.644   7.9916 -21.0779   10.789 -2.590147 15.98315 
1 1 1    2   10   30 o  133.586   4.2344  179.109   11.252 2.218109 8.468778 
1 1 1    2   10   31 o  199.634   4.5402  399.113   18.128      ?      ? 
1 1 1    2   10   32 o  154.353   3.7872  239.831   11.664 1.121735 7.574340 
1 1 1    2   10   33 o  117.817   4.9696  141.846   11.559 -11.28281 9.939232 
1 1 1    2   10   35 o  100.371   5.6468  103.655   11.207 -11.25330 11.29359 
1 1 1    2   10   36 o   70.034   8.6182   51.899   11.365 35.38684 17.23647 
1 1 1    2   10   37 o   32.329   9.8463  -0.5305   11.581 4.724754 19.69266 
1 1 1    2   10   38 o   40.599   10.734   14.318   11.698 1.599453 21.46718 
1 1 1    2   10   39 o   72.473   8.3222   55.608   11.693 -3.074310 16.64432 
1 1 1    2   10   40 f   96.380   6.0937   95.106   11.689 -7.099297 12.18745 
1 1 1    2   11    0 o  428.646   3.7029  1840.11   29.841 -0.5612793 7.405822 
1 1 1    2   11    1 o  498.081   5.0772  2483.83   50.362 5.292725 10.15440 
1 1 1    2   11    2 o  647.446   6.3085  4204.69   81.662 -9.736389 12.61701 
1 1 1    2   11    3 o  454.169   4.4660  2066.00   40.561 -3.999481 8.932041 
1 1 1    2   11    4 o  470.531   6.5439  2218.25   61.582      ?      ? 
1 1 1    2   11    5 o  232.394   2.5571  540.232   11.885      ?      ? 
1 1 1    2   11    6 o  206.017   2.4590  424.551   10.132      ?      ? 
1 1 1    2   11    7 o  103.416   2.0668  106.904   4.2708 -6.421173 4.133684 
1 1 1    2   11    8 o   85.298   2.7267   72.994   4.6338 8.588356 5.453457 
1 1 1    2   11    9 o   93.337   3.8823   87.173   7.2474      ?      ? 
1 1 1    2   11   10 o  336.080   2.5041  1129.62   16.827 4.953796 5.008292 
1 1 1    2   11   11 o  239.992   3.0163  576.132   14.478      ?      ? 
1 1 1    2   11   12 o  509.507   3.5866  2597.79   36.547 -2.389343 7.173214 
1 1 1    2   11   13 o  397.534   2.9283  1580.72   23.278 -4.391418 5.856660 
1 1 1    2   11   14 o  409.842   3.0246  1680.42   24.792 2.496216 6.049224 
1 1 1    2   11   15 o  229.658   2.5400  527.590   11.665 5.119003 5.080091 
1 1 1    2   11   16 o  328.109   2.7422  1075.46   17.979 10.21014 5.484397 
1 1 1    2   11   17 o  338.234   2.8385  1142.52   19.181 12.07922 5.676914 
1 1 1    2   11   19 o  681.688   6.7743  4652.10   92.360      ?      ? 
1 1 1    2   11   20 o  158.832   5.4572  252.523   17.336      ?      ? 
1 1 1    2   11   21 o  339.685   3.0291  1154.47   20.573 0.6654053 6.058142 
1 1 1    2   11   22 o  263.482   3.0110  694.193   15.844 3.653534 6.022019 
1 1 1    2   11   23 o   92.110   6.4885   85.397   11.909 -3.321602 12.97693 
1 1 1    2   11   24 o  139.596   4.4216  195.263   12.337 0.8049469 8.843290 
1 1 1    2   11   25 o  108.847   5.6659  119.940   12.230 -11.21136 11.33178 
1 1 1    2   11   26 o  126.967   4.7449  160.919   12.002 7.291756 9.489701 
1 1 1    2   11   27 o   32.233   9.7845  -0.9429   11.302 3.563663 19.56899 
1 1 1    2   11   28 o  267.748   2.8881  718.302   15.458 -0.3468933 5.776153 
1 1 1    2   11   29 o   77.607   6.9919   60.689   10.704 17.83280 13.98373 
1 1 1    2   11   30 o   20.965   7.3020 -34.3905   11.036 -4.125877 14.60401 
1 1 1    2   11   32 o  157.125   3.7341  247.989   11.697 1.761124 7.468186 
1 1 1    2   11   33 o   97.668   5.9477  100.643   11.334 -15.98084 11.89541 
1 1 1    2   11   34 o   66.838   13.049   47.392   16.822      ?      ? 
1 1 1    2   11   35 o   24.048   8.1648 -22.4702   11.196 5.824219 16.32955 
1 1 1    2   11   36 f   80.038   7.1884   65.445   11.464 4.156387 14.37675 
1 1 1    2   11   37 o  154.153   3.9910  240.058   12.224 -0.9183655 7.982093 
1 1 1    2   11   38 o   28.671   9.1777  -8.3994   11.600 -4.011450 18.35546 
1 1 1    2   11   39 o   64.606   9.1758   43.778   11.603 20.96989 18.35158 
1 1 1    2   11   40 o   51.989   10.653   29.761   11.723 -3.193535 21.30657 
1 1 1    2   12    0 o  244.225   2.2086  598.898   10.241 -2.882553 4.417211 
1 1 1    2   12    1 o  280.996   3.0991  779.898   17.117 18.99481 6.198109 
1 1 1    2   12    2 o  375.887   3.7403  1414.10   28.107 -5.510590 7.480528 
1 1 1    2   12    3 o  471.736   4.6343  2229.07   43.711 -6.141174 9.268558 
1 1 1    2   12    4 o  650.180   6.3426  4241.40   82.451 -9.666077 12.68530 
1 1 1    2   12    5 o  241.593   3.9120  584.080   18.902      ?      ? 
1 1 1    2   12    6 o  304.068   3.1610  924.979   19.223      ?      ? 
1 1 1    2   12    7 f  183.282   1.7741  336.052   6.5018 -4.200211 3.548101 
1 1 1    2   12    8 o  370.739   2.6734  1374.78   19.818 5.098755 5.346836 
1 1 1    2   12    9 o  379.167   2.7374  1438.37   20.758 -2.349518 5.474738 
1 1 1    2   12   10 o  357.310   2.6424  1275.53   18.864 -10.43372 5.284705 
1 1 1    2   12   11 o  136.197   3.5958  185.563   9.7946      ?      ? 
1 1 1    2   12   12 o  146.385   2.5925  214.420   7.5880 -2.836044 5.184979 
1 1 1    2   12   13 o  529.820   3.7321  2808.17   39.538 -6.870117 7.464295 
1 1 1    2   12   14 o  239.839   3.4417  575.376   16.509      ?      ? 
1 1 1    2   12   15 o  1072.57   7.3761 11532.87  158.220 6.569824 14.75222 
1 1 1    2   12   16 o  365.788   2.8933  1338.43   21.165 3.016113 5.786610 
1 1 1    2   12   17 o  490.981   5.0806  2412.15   49.889      ?      ? 
1 1 1    2   12   19 o  297.243   2.9441  882.422   17.482 10.48468 5.888112 
1 1 1    2   12   20 o  196.639   3.4144  387.853   13.389 -7.218552 6.828722 
1 1 1    2   12   21 o   37.185   10.516   6.4176   11.995 -4.227367 21.03185 
1 1 1    2   12   22 o  351.616   3.0339  1237.42   21.329 -0.9050598 6.067865 
1 1 1    2   12   23 o  181.293   3.5413  328.824   12.814 2.371826 7.082550 
1 1 1    2   12   24 o  230.348   3.1218  531.559   14.366 -3.406113 6.243675 
1 1 1    2   12   25 o  248.303   3.0485  615.703   15.109 9.652649 6.097020 
1 1 1    2   12   26 o  108.962   5.3101  119.874   11.493 -4.309219 10.62027 
1 1 1    2   12   27 o  194.441   3.2310  378.140   12.546 6.593674 6.462061 
1 1 1    2   12   28 o   66.469   8.3068   45.463   10.804 6.761620 16.61353 
1 1 1    2   12   29 o  176.177   3.3640  311.104   11.829 2.770798 6.727913 
1 1 1    2   12   31 o  111.517   4.9498  126.486   11.000 -7.921593 9.899518 
1 1 1    2   12   32 o  131.411   4.2268  173.426   11.083 5.685837 8.453660 
1 1 1    2   12   34 o   52.961   9.8930   29.726   11.018 19.92897 19.78592 
1 1 1    2   12   35 o  132.992   4.4839  178.609   11.818 -0.3253021 8.967761 
1 1 1    2   12   36 o   20.090   7.0854 -39.8977   11.342 1.733633 14.17072 
1 1 1    2   12   37 o   27.761   8.9226 -10.7043   11.379 -6.310160 17.84521 
1 1 1    2   12   38 o  134.143   5.4130  178.516   13.453 8.705719 10.82598 
1 1 1    2   12   39 o  118.825   5.0458  143.114   11.953 0.4498291E-01 10.09163 
1 1 1    2   12   40 o  144.879   5.6728  224.662   16.187 -22.63434 11.34554 
1 1 1    2   13    0 o  217.666   2.0386  475.415   8.4648 -2.265213 4.077134 
1 1 1    2   13    1 o  241.588   2.9203  584.821   13.967 -2.181946 5.840593 
1 1 1    2   13    2 o  200.684   2.4799  403.405   9.9422 6.990875 4.959733 
1 1 1    2   13    3 o  246.373   2.7455  606.721   13.521 9.998627 5.490975 
1 1 1    2   13    4 f  378.568   3.8015  1433.30   28.760 10.38745 7.602904 
1 1 1    2   13    5 o  524.651   5.1529  2758.02   54.061 -5.361267 10.30573 
1 1 1    2   13    6 o  259.848   2.0688  672.973   10.701 9.255646 4.137631 
1 1 1    2   13    7 o  499.108   3.5072  2493.10   35.007 3.140198 7.014369 
1 1 1    2   13    8 o  286.706   2.2317  822.007   12.795 -4.847290 4.463459 
1 1 1    2   13    9 o  220.447   2.0256  485.852   8.9284 -6.349792 4.051145 
1 1 1    2   13   10 o  322.647   2.4510  1041.26   15.815 -2.302704 4.901954 
1 1 1    2   13   11 o  211.742   2.1778  448.461   9.2225 -0.5267487 4.355540 
1 1 1    2   13   12 o  274.400   2.3601  751.759   12.938 -10.85056 4.720158 
1 1 1    2   13   13 o  115.175   3.5721  132.962   8.1844 -15.07314 7.144258 
1 1 1    2   13   14 o  438.544   3.2204  1921.14   28.213 -13.58179 6.440798 
1 1 1    2   13   15 o  244.990   2.5622  600.366   12.554 1.559906 5.124352 
1 1 1    2   13   17 o  286.012   4.0437  818.369   23.131      ?      ? 
1 1 1    2   13   18 o  445.647   4.7736  1987.19   42.546      ?      ? 
1 1 1    2   13   19 o  349.568   3.0131  1222.81   21.063 -1.590363 6.026281 
1 1 1    2   13   20 o  640.980   4.5436  4113.77   58.238 5.253845 9.087127 
1 1 1    2   13   21 o  237.830   3.0253  565.693   14.372 2.968567 6.050550 
1 1 1    2   13   22 o  396.603   3.1683  1574.29   25.129 -7.296692 6.336553 
1 1 1    2   13   23 o  226.069   3.0617  512.027   13.820 -3.294693 6.123437 
1 1 1    2   13   24 o  318.365   2.9753  1014.87   18.936 -2.330139 5.950603 
1 1 1    2   13   25 f  165.091   3.7618  275.041   12.323 -11.31343 7.523682 
1 1 1    2   13   26 o  221.120   3.0161  489.758   13.314 0.2053070 6.032140 
1 1 1    2   13   27 f  205.790   3.0661  424.060   12.598 2.842606 6.132226 
1 1 1    2   13   28 o  125.274   4.3983  157.518   10.965 2.341934 8.796679 
1 1 1    2   13   29 o   20.632   7.2291 -36.0543   10.976 4.316423 14.45812 
1 1 1    2   13   31 o   35.191   9.7353   7.1070   10.354 -7.945839 19.47056 
1 1 1    2   13   32 o   32.120   9.6282   2.0144   10.765 -2.168217 19.25640 
1 1 1    2   13   33 o  247.540   2.9467  614.026   14.588 2.487198 5.893408 
1 1 1    2   13   34 o   55.981   9.2794   35.167   10.921 -25.74921 18.55878 
1 1 1    2   13   35 o  123.366   7.1928  153.785   17.747      ?      ? 
1 1 1    2   13   36 f  164.797   4.5598  275.526   13.797 -2.042084 9.119688 
1 1 1    2   13   37 o   72.971   8.1142   55.139   11.722 2.769615 16.22835 
1 1 1    2   13   38 o   93.133   6.3847   89.361   11.780 -3.986069 12.76949 
1 1 1    2   13   39 o   63.968   9.3999   44.117   11.637 6.962952 18.79983 
1 1 1    2   14    0 o  312.478   2.7963  977.534   16.460 -0.5545044 5.592618 
1 1 1    2   14    1 o  195.228   3.6010  381.331   14.060      ?      ? 
1 1 1    2   14    2 o  206.799   2.5411  428.179   10.501 9.359070 5.082245 
1 1 1    2   14    3 o  277.857   2.9935  772.563   16.632 0.6286621E-01 5.987093 
1 1 1    2   14    4 o  148.904   2.8521  222.052   8.4727 2.041397 5.704161 
1 1 1    2   14    5 o  584.228   5.7253  3419.87   66.882 -7.072876 11.45061 
1 1 1    2   14    6 o  423.090   6.0290  1792.11   51.016      ?      ? 
1 1 1    2   14    7 o  336.286   2.4872  1129.08   16.702 11.05673 4.974344 
1 1 1    2   14    8 f  284.231   2.2094  807.900   12.558 -3.329041 4.418872 
1 1 1    2   14    9 f  408.725   2.9305  1671.31   23.955 0.6613770 5.860937 
1 1 1    2   14   10 o  264.230   2.2135  698.211   11.696 -3.224548 4.427096 
1 1 1    2   14   11 o  304.756   2.4362  929.015   14.849 1.070679 4.872473 
1 1 1    2   14   12 o  828.699   5.7177  6877.37   94.764 -1.252502 11.43533 
1 1 1    2   14   13 o  497.289   3.5466  2474.07   35.269 -4.222198 7.093296 
1 1 1    2   14   14 o  436.033   3.2117  1901.89   28.005 4.308075 6.423467 
1 1 1    2   14   19 o  559.215   4.0232  3129.99   44.991 -6.347290 8.046374 
1 1 1    2   14   20 o   46.634   10.525   21.220   11.407 -10.73596 21.04913 
1 1 1    2   14   21 o  176.083   3.4592  309.303   12.158 9.880310 6.918317 
1 1 1    2   14   22 o  406.995   3.2072  1658.42   26.105 -1.390045 6.414434 
1 1 1    2   14   23 o  126.106   4.6672  158.918   11.743 5.809753 9.334429 
1 1 1    2   14   24 o  199.822   4.4388  399.848   17.739      ?      ? 
1 1 1    2   14   25 o  190.578   3.2692  364.398   12.431 -3.437225 6.538500 
1 1 1    2   14   26 o  241.051   2.8900  582.422   13.914 -2.720078 5.780054 
1 1 1    2   14   27 o  132.207   4.1704  174.648   10.993 9.414124 8.340875 
1 1 1    2   14   28 f   62.446   8.8677   40.896   10.654 6.630959 17.73537 
1 1 1    2   14   30 o  110.087   5.2711  124.860   11.429 -16.94347 10.54222 
1 1 1    2   14   31 f   68.474   8.6177   54.275   10.882 -37.31105 17.23532 
1 1 1    2   14   33 o   24.686   8.5744 -32.0843   12.707 8.431246 17.14889 
1 1 1    2   14   34 o   74.185   7.7205   56.762   11.362 -0.3028183 15.44104 
1 1 1    2   14   35 f   53.112   10.492   30.591   11.734 14.39175 20.98404 
1 1 1    2   14   36 o   34.945   9.7151   2.3077   11.710 -17.16923 19.43015 
1 1 1    2   14   37 o   24.693   8.2987 -23.4447   11.838 -6.880938 16.59731 
1 1 1    2   14   38 o  129.615   4.5923  169.366   11.866 7.277794 9.184546 
1 1 1    2   14   39 o  152.714   4.0331  236.014   12.312 -6.456009 8.066231 
1 1 1    2   15    0 o  321.046   4.7498  1031.45   30.498      ?      ? 
1 1 1    2   15    1 o  402.459   5.6958  1621.40   45.846      ?      ? 
1 1 1    2   15    2 o  331.074   3.4038  1096.87   22.536 -0.4324646 6.807530 
1 1 1    2   15    3 o  449.449   4.4595  2020.76   40.062 10.45065 8.919066 
1 1 1    2   15    4 o  406.862   4.0871  1656.52   33.249 -4.644409 8.174183 
1 1 1    2   15    5 o  307.973   3.3113  946.992   20.361 -10.87479 6.622693 
1 1 1    2   15    6 o  624.505   6.1145  3906.74   76.352 -7.977783 12.22905 
1 1 1    2   15    7 o  446.730   4.6059  1996.79   41.152      ?      ? 
1 1 1    2   15    8 o  396.229   4.0630  1570.63   32.198      ?      ? 
1 1 1    2   15    9 o  527.830   3.7065  2787.35   39.122 -5.245361 7.412934 
1 1 1    2   15   10 o  348.022   3.7033  1211.56   25.776      ?      ? 
1 1 1    2   15   11 o  520.713   3.6655  2711.36   38.156 10.64502 7.330929 
1 1 1    2   15   12 o  593.891   4.1527  3527.39   49.295 -12.13873 8.305443 
1 1 1    2   15   13 o  192.554   2.5547  370.640   9.8351 5.405701 5.109441 
1 1 1    2   15   14 o  435.133   4.5674  1894.38   39.748      ?      ? 
1 1 1    2   15   15 f  460.871   3.4086  2125.05   31.416 3.450836 6.817203 
1 1 1    2   15   16 o  254.339   3.9204  647.139   19.942      ?      ? 
1 1 1    2   15   17 o  391.244   3.0791  1531.51   24.092 4.701050 6.158292 
1 1 1    2   15   18 o  354.403   4.1838  1256.73   29.655      ?      ? 
1 1 1    2   15   19 f  237.098   4.0518  562.529   19.213      ?      ? 
1 1 1    2   15   20 o  428.604   3.2807  1838.62   28.119 2.972870 6.561328 
1 1 1    2   15   21 o  135.326   4.2529  182.560   11.480 12.31731 8.505839 
1 1 1    2   15   22 o  103.067   5.6438  108.955   11.382 -17.83708 11.28756 
1 1 1    2   15   24 o   90.906   6.0755   83.020   11.031 4.738731 12.15103 
1 1 1    2   15   25 o  192.604   3.1323  371.764   12.060 -1.533112 6.264651 
1 1 1    2   15   26 o   92.168   5.6953   85.510   10.458 1.370003 11.39052 
1 1 1    2   15   27 o  110.993   4.9158  125.918   10.738 -12.98610 9.831544 
1 1 1    2   15   28 o   67.409   12.876   48.405   16.738      ?      ? 
1 1 1    2   15   30 o  105.587   6.4361  116.906   12.501 -9.947403 12.87221 
1 1 1    2   15   31 o   20.516   7.1912 -34.2203   10.901 3.044176 14.38245 
1 1 1    2   15   33 o  110.325   5.1832  122.386   11.274 6.394867 10.36650 
1 1 1    2   15   35 o  102.701   5.8087  107.326   11.885 0.7633667 11.61741 
1 1 1    2   15   36 f   36.071   14.431   8.0974   15.748      ?      ? 
1 1 1    2   15   37 o  159.988   3.9309  258.593   12.477 -1.163116 7.861857 
1 1 1    2   15   38 o   91.851   6.2641   85.531   11.458 5.669640 12.52820 
1 1 1    2   16    0 o  377.503   3.8877  1426.14   29.322 0.5784302 7.775394 
1 1 1    2   16    1 o  332.408   4.8537  1105.65   32.268      ?      ? 
1 1 1    2   16    2 o  595.904   8.2595  3557.47   98.437      ?      ? 
1 1 1    2   16    3 f  503.353   4.9649  2536.83   49.981 2.989655 9.929887 
1 1 1    2   16    4 o  154.605   2.9701  240.058   9.1461 13.58711 5.940113 
1 1 1    2   16    5 o  372.911   3.8240  1390.59   28.507 9.276733 7.647932 
1 1 1    2   16    6 o  262.712   3.1002  689.458   16.277 12.39673 6.200323 
1 1 1    2   16    7 o  143.988   3.7182  206.955   10.695 -8.390869 7.436403 
1 1 1    2   16    8 f  363.071   3.8023  1318.63   27.610      ?      ? 
1 1 1    2   16    9 o  420.308   4.2849  1767.32   36.019      ?      ? 
1 1 1    2   16   10 o  976.918   6.7560  9564.74  132.001 0.9422607 13.51196 
1 1 1    2   16   11 o  410.815   2.9895  1687.14   24.548 -8.678833 5.979003 
1 1 1    2   16   12 o  303.087   2.5098  916.943   15.193 -11.95282 5.019686 
1 1 1    2   16   14 o  431.586   3.2244  1863.59   27.832 -1.453278 6.448722 
1 1 1    2   16   15 o  212.484   3.9271  451.687   16.689      ?      ? 
1 1 1    2   16   16 o  749.411   5.2125  5625.73   78.118 7.122803 10.42502 
1 1 1    2   16   17 o  190.209   4.3964  362.024   16.725      ?      ? 
1 1 1    2   16   18 o  498.082   7.3343  2486.24   73.062      ?      ? 
1 1 1    2   16   19 o   33.125   9.0697  -1.6541   10.451 -20.12295 18.13936 
1 1 1    2   16   20 o  114.677   4.8104  132.453   10.977 -7.271477 9.620708 
1 1 1    2   16   21 o  208.194   3.0760  433.750   12.775 1.280655 6.152074 
1 1 1    2   16   22 o  206.211   3.1308  424.952   12.855 3.926468 6.261612 
1 1 1    2   16   23 o  151.474   3.7554  229.263   11.335 5.610184 7.510838 
1 1 1    2   16   24 o   93.597   6.9221   84.730   12.021 9.866341 13.84424 
1 1 1    2   16   25 o  173.555   4.0245  299.254   12.809 4.172668 8.048995 
1 1 1    2   16   26 o   41.725   10.147   16.112   11.417 -15.05134 20.29399 
1 1 1    2   16   27 o  109.948   4.9765  123.122   10.805 -8.190613 9.953022 
1 1 1    2   16   29 o   57.214   9.3694   36.293   10.725 -15.89724 18.73874 
1 1 1    2   16   30 f  178.204   3.3860  320.827   11.984 -10.32231 6.771914 
1 1 1    2   16   32 f   20.061   7.0425 -36.6567   10.930 -0.2056217 14.08495 
1 1 1    2   16   33 f   26.454   8.6969 -13.5617   11.056 4.877670 17.39372 
1 1 1    2   16   34 o  165.375   3.7867  275.950   12.466 2.410568 7.573415 
1 1 1    2   16   35 o   42.792   10.415   17.943   11.285 -10.90429 20.83086 
1 1 1    2   16   36 o  174.874   3.7505  311.574   12.973 -13.17500 7.501020 
1 1 1    2   16   37 f  104.307   5.5547  110.042   11.499 6.108047 11.10937 
1 1 1    2   16   38 o   40.785   11.090   13.087   12.366 5.920254 22.17983 
1 1 1    2   17    0 o  366.190   3.8401  1339.91   28.040 6.664368 7.680264 
1 1 1    2   17    1 o  291.535   4.4521  850.324   25.959      ?      ? 
1 1 1    2   17    2 o  289.976   4.4828  841.255   25.998      ?      ? 
1 1 1    2   17    3 o  216.544   2.8518  466.249   12.294 29.34430 5.703675 
1 1 1    2   17    4 o  191.631   2.9302  367.970   11.176 23.68819 5.860373 
1 1 1    2   17    5 o  486.759   4.8323  2371.79   47.043 1.038300 9.664590 
1 1 1    2   17    6 o  335.511   3.5923  1125.82   24.100 8.328278 7.184687 
1 1 1    2   17    7 o  288.557   3.3285  830.944   19.166 -10.43518 6.657075 
1 1 1    2   17    8 f  386.930   3.5136  1508.91   26.209 -10.87756 7.027197 
1 1 1    2   17    9 o  611.577   4.3140  3742.73   52.755 -7.150391 8.628014 
1 1 1    2   17   10 o  447.750   3.2227  2005.23   28.851 -5.147736 6.445450 
1 1 1    2   17   12 o  217.913   3.4379  475.001   14.983      ?      ? 
1 1 1    2   17   15 o  429.074   3.2186  1841.53   27.610 6.106171 6.437197 
1 1 1    2   17   16 o  336.749   2.8261  1134.46   19.031 2.515625 5.652125 
1 1 1    2   17   17 o  323.821   2.8082  1049.26   18.187 -2.099274 5.616416 
1 1 1    2   17   18 o  120.403   4.3148  145.214   10.378 0.3652954E-01 8.629596 
1 1 1    2   17   19 o  207.286   2.9484  430.788   12.202 -8.205841 5.896833 
1 1 1    2   17   20 o  109.590   4.9000  120.266   10.681 1.532806 9.800095 
1 1 1    2   17   21 o   54.931   8.5628   33.203   10.674 -40.99107 17.12557 
1 1 1    2   17   22 o  322.559   2.8495  1040.99   18.364 5.974274 5.699044 
1 1 1    2   17   23 o  199.283   2.9715  397.665   11.830 1.438889 5.942987 
1 1 1    2   17   24 o  135.459   3.9151  185.099   10.528 -6.967453 7.830254 
1 1 1    2   17   25 o   81.735   6.4310   69.969   10.128 -15.55024 12.86209 
1 1 1    2   17   26 o  223.961   2.8711  500.827   12.815 10.27277 5.742274 
1 1 1    2   17   28 o   26.709   12.175  -8.5244   14.480      ?      ? 
1 1 1    2   17   29 o  180.551   3.2458  328.316   11.641 -4.540436 6.491672 
1 1 1    2   17   30 o   66.946   10.769   46.651   14.418      ?      ? 
1 1 1    2   17   31 o   35.201   13.861   7.9761   14.308      ?      ? 
1 1 1    2   17   32 o   69.825   8.0639   51.218   10.888 0.2246094E-01 16.12773 
1 1 1    2   17   33 o  157.663   3.8053  249.240   11.958 6.780182 7.610556 
1 1 1    2   17   34 o   31.202   9.3265  -2.4762   11.076 -11.23348 18.65297 
1 1 1    2   17   35 o   44.707   10.613   20.579   11.106 1.198311 21.22624 
1 1 1    2   17   36 o   60.031   9.6330   39.335   11.248 1.448608 19.26598 
1 1 1    2   17   37 o   78.806   6.9563   63.456   10.927 2.520134 13.91262 
1 1 1    2   18    0 o  285.495   3.1836  815.288   18.170 1.842804 6.367292 
1 1 1    2   18    1 o  289.289   4.4963  837.269   26.015      ?      ? 
1 1 1    2   18    2 o  205.311   4.1463  421.695   17.026      ?      ? 
1 1 1    2   18    3 o  464.403   4.6308  2155.60   42.968 15.15659 9.261642 
1 1 1    2   18    4 o  242.886   3.0118  587.638   14.598 20.47614 6.023616 
1 1 1    2   18    5 o  178.533   2.9994  318.771   10.661 -0.6362457 5.998832 
1 1 1    2   18    6 o  312.207   3.4210  975.369   21.356 1.103699 6.841964 
1 1 1    2   18    7 o  275.269   3.3022  758.018   18.163 -0.9610596 6.604426 
1 1 1    2   18    8 o  281.608   3.4577  793.690   19.467 3.287811 6.915305 
1 1 1    2   18    9 o  526.729   4.6001  2777.69   46.116 -0.3682861 9.200109 
1 1 1    2   18   10 o  543.644   3.8731  2957.75   42.111 1.610474 7.746107 
1 1 1    2   18   11 f  616.053   4.3323  3792.29   53.308 -18.96729 8.664598 
1 1 1    2   18   12 o  201.902   2.4424  405.087   9.8240 24.18190 4.884818 
1 1 1    2   18   13 o  281.481   2.5168  791.643   14.158 -9.013275 5.033575 
1 1 1    2   18   14 o  407.173   4.3286  1658.88   35.250      ?      ? 
1 1 1    2   18   15 o  293.131   2.6611  858.504   15.588 -9.932434 5.322199 
1 1 1    2   18   16 o  419.204   3.1613  1758.72   26.504 -2.141510 6.322637 
1 1 1    2   18   17 o  429.528   3.2217  1846.69   27.676 -2.372742 6.443411 
1 1 1    2   18   18 o  365.006   2.9279  1333.41   21.372 2.488129 5.855743 
1 1 1    2   18   19 f   28.846   8.9546  -3.4828   9.8976 1.277008 17.90917 
1 1 1    2   18   20 o  112.649   6.8923  127.271   15.528      ?      ? 
1 1 1    2   18   22 o  190.370   3.0223  363.189   11.492 -1.521454 6.044554 
1 1 1    2   18   23 o  168.785   3.2258  285.772   10.859 -1.961319 6.451507 
1 1 1    2   18   24 o  197.273   2.9649  390.768   11.643 -3.687805 5.929794 
1 1 1    2   18   25 o   91.416   5.5088   83.005   9.9865 11.24501 11.01764 
1 1 1    2   18   26 o  226.782   2.9928  513.964   13.496 6.653702 5.985583 
1 1 1    2   18   27 o  200.463   4.9528  403.054   19.857      ?      ? 
1 1 1    2   18   28 o  121.259   4.4303  148.888   10.630 -4.507858 8.860614 
1 1 1    2   18   29 o   32.473   13.269   5.2918   13.677      ?      ? 
1 1 1    2   18   31 o   94.993   5.5267   91.639   10.392 1.060150 11.05333 
1 1 1    2   18   32 o   91.248   5.9259   83.980   10.717 3.568207 11.85183 
1 1 1    2   18   33 o   90.669   6.1157   84.548   10.905 -3.111122 12.23133 
1 1 1    2   18   34 o  167.802   3.5586  282.822   11.805 3.359451 7.117151 
1 1 1    2   18   35 o   63.944   8.7860   42.769   10.955 16.11673 17.57195 
1 1 1    2   18   36 o  132.742   4.2959  177.997   11.355 0.7552338 8.591874 
1 1 1    2   18   37 o   38.106   9.8317   9.4358   10.870 -18.72488 19.66340 
1 1 1    2   19    0 o  773.562   10.710  6000.94  165.698      ?      ? 
1 1 1    2   19    1 o  465.339   6.5621  2167.70   61.072      ?      ? 
1 1 1    2   19    2 o  666.347   9.2328  4449.49  123.044      ?      ? 
1 1 1    2   19    3 o  443.639   4.4552  1969.08   39.519 9.509705 8.910366 
1 1 1    2   19    4 o  440.836   4.4390  1943.66   39.107 -8.503448 8.878056 
1 1 1    2   19    5 o  213.925   3.1121  446.000   13.119 -32.57898 6.224161 
1 1 1    2   19    6 o  478.985   4.8212  2212.57   44.900 -72.13940 9.642366 
1 1 1    2   19    7 o  372.744   3.9758  1389.67   29.630 10.65723 7.951605 
1 1 1    2   19    8 o  418.020   4.3581  1748.18   36.426 8.943939 8.716285 
1 1 1    2   19    9 o  403.392   4.2914  1628.22   34.617 7.746368 8.582764 
1 1 1    2   19   10 o  312.041   2.5470  951.846   15.671 41.60794 5.094052 
1 1 1    2   19   11 o  284.091   3.4225  807.403   19.446      ?      ? 
1 1 1    2   19   12 o  850.143   5.9115  7243.35  100.510 -3.003418 11.82295 
1 1 1    2   19   14 o  117.157   3.6864  138.000   8.5870 -14.26550 7.372866 
1 1 1    2   19   15 o  330.369   3.8241  1092.14   25.267      ?      ? 
1 1 1    2   19   16 o  320.142   2.6976  1024.88   17.263 7.196930 5.395117 
1 1 1    2   19   17 o  287.433   3.7259  826.831   21.419      ?      ? 
1 1 1    2   19   18 o  408.442   3.1172  1670.24   25.464 0.5957031E-01 6.234348 
1 1 1    2   19   19 f   89.476   7.6185   80.353   13.634      ?      ? 
1 1 1    2   19   20 o  137.810   3.6955  190.765   10.151 -3.913925 7.390935 
1 1 1    2   19   21 o   85.061   5.6982   74.121   9.5175 -13.78917 11.39645 
1 1 1    2   19   22 o  161.119   3.2241  260.343   10.354 -1.230423 6.448187 
1 1 1    2   19   23 o  340.741   2.8269  1163.69   19.261 -1.963348 5.653756 
1 1 1    2   19   24 o  165.540   3.1832  274.458   10.496 2.498627 6.366472 
1 1 1    2   19   25 o  149.313   4.7682  223.919   14.239      ?      ? 
1 1 1    2   19   26 o  216.104   4.5786  467.782   19.789      ?      ? 
1 1 1    2   19   27 o  183.167   4.5858  336.860   16.800      ?      ? 
1 1 1    2   19   28 o   59.333   8.6115   37.598   9.8231 0.3230782 17.22304 
1 1 1    2   19   30 o   46.705   9.4612   23.585   9.8854 -17.05932 18.92234 
1 1 1    2   19   31 o   69.388   8.0603   52.697   10.439 -18.72955 16.12070 
1 1 1    2   19   32 o   25.544   8.4250 -12.7813   10.491 3.906441 16.84999 
1 1 1    2   19   33 o   99.199   5.6329  102.093   10.918 -10.46716 11.26590 
1 1 1    2   19   34 o  168.736   3.6011  287.809   12.026 -2.570557 7.202225 
1 1 1    2   19   35 o   57.126   9.4992   36.808   10.693 -12.25922 18.99846 
1 1 1    2   19   36 o   80.802   6.6645   65.671   10.665 15.02951 13.32896 
1 1 1    2   20    0 o  343.115   5.1887  1178.08   35.606      ?      ? 
1 1 1    2   20    1 o  479.114   6.7879  2298.20   65.044      ?      ? 
1 1 1    2   20    2 o  310.541   4.9441  964.960   30.707      ?      ? 
1 1 1    2   20    3 o  444.665   6.4111  1979.34   57.016      ?      ? 
1 1 1    2   20    4 o   90.873   6.8755   96.710   10.280 49.01947 13.75091 
1 1 1    2   20    5 o  735.063   7.1969  5409.72  105.691 -19.45569 14.39373 
1 1 1    2   20    6 o  490.695   4.9368  2408.44   48.409 -10.31207 9.873640 
1 1 1    2   20    7 o  288.630   3.5374  832.780   20.405 15.34891 7.074884 
1 1 1    2   20    8 o  406.511   4.2831  1648.66   34.723 -17.90714 8.566195 
1 1 1    2   20    9 o  310.405   3.7380  964.683   23.200 6.555115 7.476006 
1 1 1    2   20   10 o  415.012   3.8679  1743.08   31.288 -22.12640 7.735708 
1 1 1    2   20   11 o  454.744   3.3484  2069.49   30.453 0.2575073 6.696741 
1 1 1    2   20   12 o  509.978   3.6670  2598.02   37.342 -17.99084 7.333927 
1 1 1    2   20   13 o  410.552   3.0660  1686.19   25.168 6.574280 6.132067 
1 1 1    2   20   14 o  385.715   2.9203  1487.95   22.518 -8.145935 5.840648 
1 1 1    2   20   15 o  295.278   2.5632  872.361   15.135 2.817230 5.126424 
1 1 1    2   20   16 o  410.133   3.0777  1683.83   25.244 -3.287109 6.155442 
1 1 1    2   20   17 o  229.282   2.6213  525.956   12.016 -8.620865 5.242594 
1 1 1    2   20   19 o  228.940   2.6339  524.219   12.050 6.192657 5.267861 
1 1 1    2   20   20 o  146.904   3.2800  216.339   9.6251 -1.309845 6.560053 
1 1 1    2   20   21 o   62.441   7.4841   40.544   9.0219 -8.105877 14.96818 
1 1 1    2   20   22 f   39.019   9.5749   13.894   9.1271 4.864033 19.14972 
1 1 1    2   20   23 o  273.115   2.6267  746.397   14.323 6.033020 5.253417 
1 1 1    2   20   24 o  134.612   4.9319  182.098   13.278      ?      ? 
1 1 1    2   20   25 o  268.463   3.7969  721.429   20.386      ?      ? 
1 1 1    2   20   26 f  197.152   2.9022  388.657   11.368 5.645721 5.804456 
1 1 1    2   20   27 o   50.166   8.9865   27.687   9.4069 -18.04856 17.97296 
1 1 1    2   20   28 o   82.452   6.1372   69.478   9.9899 -9.757362 12.27430 
1 1 1    2   20   29 o  110.600   4.6202  124.707   10.141 -9.583031 9.240493 
1 1 1    2   20   30 o   42.060   10.128   17.727   10.173 1.297203 20.25561 
1 1 1    2   20   31 o   64.484   8.5288   44.175   10.666 -6.468342 17.05768 
1 1 1    2   20   32 o  126.437   4.4727  163.060   11.182 -9.253601 8.945412 
1 1 1    2   20   33 f  192.074   3.3452  370.648   12.749 3.339188 6.690500 
1 1 1    2   20   34 o   34.634   10.066   5.3973   11.030 3.965092 20.13227 
1 1 1    2   20   36 o   58.235   8.4730   38.816   9.8222 31.07374 16.94603 
1 1 1    2   21    0 o  500.195   7.0723  2505.28   70.750      ?      ? 
1 1 1    2   21    1 o  343.586   5.2431  1181.38   36.029      ?      ? 
1 1 1    2   21    2 o  230.553   4.6965  531.872   21.656      ?      ? 
1 1 1    2   21    3 o  218.857   4.7506  479.309   20.794      ?      ? 
1 1 1    2   21    4 o  248.206   3.2299  617.437   16.002 17.19351 6.459841 
1 1 1    2   21    5 o  374.493   3.9512  1404.15   29.590 4.392822 7.902395 
1 1 1    2   21    6 o  350.869   3.8238  1232.43   26.828 2.086823 7.647501 
1 1 1    2   21    7 o  252.669   3.4618  636.536   17.448 -12.34631 6.923543 
1 1 1    2   21    8 o  332.103   3.7893  1103.07   25.148 -6.096741 7.578671 
1 1 1    2   21    9 o  460.223   4.7565  2121.46   43.780 3.057312 9.512948 
1 1 1    2   21   10 o  191.040   4.1777  364.321   15.922 -8.000778 8.355310 
1 1 1    2   21   11 o  184.882   3.3182  339.456   9.9690 2.381668 6.636408 
1 1 1    2   21   12 o  478.659   4.2786  2295.67   38.639 -0.6692200 8.557127 
1 1 1    2   21   13 o  245.544   2.3719  603.051   11.644 3.069717 4.743740 
1 1 1    2   21   14 o  339.137   2.6889  1151.09   18.238 0.5459595E-01 5.377823 
1 1 1    2   21   15 o  108.941   3.8390  120.208   8.2631 -17.12432 7.678045 
1 1 1    2   21   16 f  234.299   2.5008  549.183   11.714 -9.645035 5.001644 
1 1 1    2   21   17 o  270.577   2.5459  731.955   13.767 8.573761 5.091728 
1 1 1    2   21   18 o  168.153   2.8630  283.083   9.6251 -6.142410 5.725947 
1 1 1    2   21   19 o   20.893   7.0597 -16.1535   8.3444 -0.9021435 14.11942 
1 1 1    2   21   20 o  190.979   2.6492  365.416   10.113 -1.560669 5.298309 
1 1 1    2   21   21 o  191.697   2.6921  368.552   10.310 -4.254379 5.384171 
1 1 1    2   21   22 o  253.136   2.5768  642.069   13.041 -0.5102386 5.153578 
1 1 1    2   21   25 o  176.509   3.0385  311.794   10.680 5.495590 6.077014 
1 1 1    2   21   26 o   85.160   5.5279   74.141   9.2801 -5.930458 11.05579 
1 1 1    2   21   27 o   52.004   9.1252   29.850   9.5831 -13.49088 18.25030 
1 1 1    2   21   28 o   19.708   6.8670 -28.2254   9.5566 1.961050 13.73394 
1 1 1    2   21   29 o  126.676   3.9626  163.046   9.9743 -12.46888 7.925117 
1 1 1    2   21   30 o   79.908   6.5780   64.249   10.446 12.10190 13.15606 
1 1 1    2   21   31 f  188.266   3.2276  355.134   12.089 6.476151 6.455151 
1 1 1    2   21   32 o   87.581   6.3121   79.263   10.871 -5.387352 12.62417 
1 1 1    2   21   33 o   27.363   8.8298 -10.4244   10.673 8.767641 17.65951 
1 1 1    2   21   34 o  190.789   3.2002  366.771   12.140 -3.037598 6.400431 
1 1 1    2   21   35 f   25.559   8.4186 -11.9985   10.398 2.362947 16.83724 
1 1 1    2   22    0 o  244.695   4.4292  599.127   21.676      ?      ? 
1 1 1    2   22    1 o  310.895   4.9252  967.294   30.624      ?      ? 
1 1 1    2   22    2 o  450.789   6.4736  2034.79   58.364      ?      ? 
1 1 1    2   22    3 o  228.118   4.6702  520.740   21.307      ?      ? 
1 1 1    2   22    4 o  265.161   3.3073  703.943   17.519 2.814850 6.614665 
1 1 1    2   22    5 o  410.412   4.2614  1684.89   34.961 12.76791 8.522788 
1 1 1    2   22    6 o  210.644   3.4601  443.728   14.538 -2.364288 6.920235 
1 1 1    2   22    7 f  248.719   3.4567  612.041   17.078 -24.39532 6.913461 
1 1 1    2   22    8 o  596.820   5.9284  3572.07   70.758 5.742615 11.85686 
1 1 1    2   22    9 o  411.609   4.3579  1697.11   35.874 3.248962 8.715726 
1 1 1    2   22   10 o  362.145   4.0663  1313.44   29.451 4.928467 8.132687 
1 1 1    2   22   11 f  184.546   4.2602  341.411   15.715 5.314865 8.520305 
1 1 1    2   22   12 o  437.737   4.0028  1919.56   33.134 -0.1976013 8.005632 
1 1 1    2   22   13 o  293.709   3.1921  853.399   17.000 8.096832 6.384243 
1 1 1    2   22   14 o  514.209   3.6881  2648.49   37.929 1.024963 7.376234 
1 1 1    2   22   15 o  282.630   2.4711  797.620   13.952 -14.43625 4.942294 
1 1 1    2   22   16 o  253.077   2.4423  641.330   12.359 -4.054916 4.884525 
1 1 1    2   22   17 o  116.486   3.4938  135.984   8.1310 0.5476761 6.987696 
1 1 1    2   22   18 f   37.447   8.5507   12.863   7.8270 -14.22073 17.10145 
1 1 1    2   22   19 o  206.303   2.4864  426.162   10.258 3.574173 4.972724 
1 1 1    2   22   20 o  257.943   2.4788  666.578   12.785 -0.7245178 4.957584 
1 1 1    2   22   21 o   54.640   7.8675   31.418   8.3001 6.780762 15.73498 
1 1 1    2   22   24 o  104.907   4.4072  110.747   9.2152 1.773041 8.814472 
1 1 1    2   22   25 o   77.016   5.8598   60.242   9.0082 -2.292946 11.71967 
1 1 1    2   22   26 f  103.482   4.4731  107.536   9.2402 5.425163 8.946213 
1 1 1    2   22   27 f   71.640   6.5498   51.937   9.3308 10.83244 13.09969 
1 1 1    2   22   28 f  115.902   4.0979  135.676   9.4838 0.5972443 8.195869 
1 1 1    2   22   29 o  136.070   3.7638  185.227   10.207 15.92859 7.527520 
1 1 1    2   22   30 o  174.943   3.2699  307.576   11.412 3.428513 6.539772 
1 1 1    2   22   31 o  112.450   4.9758  128.264   11.078 0.4458313 9.951541 
1 1 1    2   22   32 o   41.980   10.329   17.654   10.595 0.1742592 20.65897 
1 1 1    2   22   33 o  111.833   4.7843  127.381   10.544 -2.725685 9.568510 
1 1 1    2   22   34 o  146.358   3.9102  216.120   11.409 -0.9328766 7.820440 
1 1 1    2   23    0 o  398.680   5.8060  1591.64   46.295      ?      ? 
1 1 1    2   23    1 o  571.735   8.0268  3277.43   91.784      ?      ? 
1 1 1    2   23    2 o  290.789   4.8636  846.411   28.286      ?      ? 
1 1 1    2   23    3 o  257.743   4.6868  664.929   24.160      ?      ? 
1 1 1    2   23    4 o  149.915   5.7125  225.063   17.128      ?      ? 
1 1 1    2   23    5 o  255.287   3.3343  653.472   16.993 10.06483 6.668620 
1 1 1    2   23    6 o  210.387   3.4356  439.581   14.344 -12.74377 6.871144 
1 1 1    2   23    7 o  208.355   3.5087  434.318   14.595 -2.424942 7.017422 
1 1 1    2   23    8 o  480.803   4.8860  2317.43   46.984 1.137665 9.772059 
1 1 1    2   23    9 o  189.477   3.8631  358.674   14.620 -11.39462 7.726300 
1 1 1    2   23   10 o  185.270   3.9642  344.193   14.675 5.288208 7.928390 
1 1 1    2   23   11 o  191.475   4.0530  367.211   15.504 12.28908 8.105960 
1 1 1    2   23   12 o  310.843   3.8665  968.031   24.036 3.864380 7.732924 
1 1 1    2   23   13 o  160.093   6.4337  257.001   20.600      ?      ? 
1 1 1    2   23   14 o  182.768   3.3455  323.561   10.098 10.51291 6.691085 
1 1 1    2   23   15 o  109.351   3.2163  119.680   7.0295 3.808624 6.432598 
1 1 1    2   23   16 f   92.405   3.8622   85.756   7.1263 -3.245796 7.724399 
1 1 1    2   23   17 o   38.435   8.5842   14.831   7.3609 0.9656868 17.16835 
1 1 1    2   23   18 o  156.838   2.7179  246.408   8.5165 0.7468719 5.435827 
1 1 1    2   23   19 o  184.025   2.5333  338.952   9.3153 4.054428 5.066537 
1 1 1    2   23   20 o  134.075   3.0961  180.275   8.2884 -10.57112 6.192143 
1 1 1    2   23   23 o  178.324   2.7652  319.130   9.8559 -5.254547 5.530497 
1 1 1    2   23   24 o  113.023   3.9563  129.038   8.9052 -10.92522 7.912549 
1 1 1    2   23   26 o  179.208   2.9021  322.364   10.396 -7.835648 5.804200 
1 1 1    2   23   27 o   43.020   9.3423   19.578   8.8258 4.189728 18.68465 
1 1 1    2   23   29 o   33.238   8.9294   4.2977   9.5971 -16.75449 17.85888 
1 1 1    2   23   30 o   86.656   5.9527   76.144   10.251 5.701492 11.90536 
1 1 1    2   23   31 o   27.540   8.8766  -7.9351   10.755 0.6169739 17.75324 
1 1 1    2   23   32 f   99.229   6.9550  100.001   13.803      ?      ? 
1 1 1    2   23   33 o   83.398   6.0404   70.373   10.029 5.882156 12.08072 
1 1 1    2   24    0 o  437.393   6.2722  1916.90   54.868      ?      ? 
1 1 1    2   24    1 o  302.315   4.8568  915.031   29.365      ?      ? 
1 1 1    2   24    2 o  566.125   7.9596  3215.33   90.123      ?      ? 
1 1 1    2   24    3 o  390.491   5.7755  1527.48   45.106      ?      ? 
1 1 1    2   24    4 f  225.386   4.6766  508.586   21.081      ?      ? 
1 1 1    2   24    5 o  245.739   3.2895  604.032   16.127 -3.148941 6.579004 
1 1 1    2   24    6 o  403.206   4.2013  1628.42   33.873 8.735626 8.402611 
1 1 1    2   24    7 o  289.997   3.4799  842.266   20.175 0.8837280 6.959725 
1 1 1    2   24    8 o  291.032   3.5438  848.448   20.624 4.096283 7.087691 
1 1 1    2   24    9 o  124.057   5.1709  153.954   12.811 -7.770210 10.34185 
1 1 1    2   24   10 o  298.503   3.6611  892.579   21.855 1.580353 7.322251 
1 1 1    2   24   11 o  141.292   4.7845  200.411   13.483 1.317612 9.569018 
1 1 1    2   24   12 o  256.916   3.6750  661.794   18.879 4.105499 7.350053 
1 1 1    2   24   13 o   73.414   9.2058   55.990   13.093 15.77222 18.41160 
1 1 1    2   24   14 o   63.323   7.8311   40.339   6.3295 0.2978020 15.66226 
1 1 1    2   24   15 o   60.715   8.1981   33.833   7.5514 9.406765 16.39612 
1 1 1    2   24   16 o   30.856   7.9562   7.7993   6.3915 2.934444 15.91236 
1 1 1    2   24   17 o   72.707   4.9173   53.970   7.0508 -10.13965 9.834551 
1 1 1    2   24   18 o  230.909   2.3637  534.157   10.914 -3.814087 4.727305 
1 1 1    2   24   19 o  261.781   2.4716  684.508   12.909 13.40894 4.943270 
1 1 1    2   24   22 o  119.687   3.4990  143.870   8.3729 2.368286 6.998022 
1 1 1    2   24   23 o  140.672   3.2502  199.191   9.1303 -4.801559 6.500399 
1 1 1    2   24   25 o   43.440   13.635   19.777   13.172      ?      ? 
1 1 1    2   24   27 o  249.313   2.6539  623.154   13.220 1.271957 5.307809 
1 1 1    2   24   28 o   46.232   9.0251   21.101   9.4983 25.94845 18.05021 
1 1 1    2   24   29 o  208.136   2.8810  435.897   11.971 -4.046127 5.761947 
1 1 1    2   24   30 o   97.454   5.2787   97.471   10.213 -9.204552 10.55745 
1 1 1    2   24   31 o   54.947   9.2452   32.333   10.323 22.80640 18.49044 
1 1 1    2   24   32 o  141.367   3.8375  202.984   10.733 -9.740341 7.675006 
1 1 1    2   24   33 o   68.973   7.3125   56.329   9.6304 20.89391 14.62497 
1 1 1    2   25    0 o  188.437   4.4505  355.513   16.773      ?      ? 
1 1 1    2   25    1 o  236.963   4.4986  562.208   21.320      ?      ? 
1 1 1    2   25    2 o  285.697   4.7871  817.373   27.353      ?      ? 
1 1 1    2   25    3 o  338.644   5.2246  1148.72   35.385      ?      ? 
1 1 1    2   25    4 o  221.557   4.6854  491.540   20.762      ?      ? 
1 1 1    2   25    5 o  151.631   5.7040  230.377   17.298      ?      ? 
1 1 1    2   25    6 o  204.369   3.3629  413.507   13.609 -15.58615 6.725824 
1 1 1    2   25    7 f  378.066   4.0166  1432.27   30.366 -0.3084412 8.033295 
1 1 1    2   25    8 o  147.638   4.1872  219.096   12.311 4.856461 8.374360 
1 1 1    2   25    9 o  182.848   3.6966  335.522   13.500 5.448029 7.393250 
1 1 1    2   25   10 o  182.009   3.7437  332.224   13.623 6.238312 7.487484 
1 1 1    2   25   11 o  148.126   4.3917  220.511   12.988 9.715240 8.783299 
1 1 1    2   25   12 f   95.427   6.5656   91.832   12.527 -2.781319 13.13114 
1 1 1    2   25   13 o  135.496   4.8877  184.713   13.234 -4.047043 9.775486 
1 1 1    2   25   14 o  129.485   5.0945  168.484   13.173 9.999786 10.18892 
1 1 1    2   25   15 o   92.950   5.0534   79.983   6.5565 10.14702 10.10688 
1 1 1    2   25   16 f   78.190   6.0789   50.439   7.3330 22.53926 12.15779 
1 1 1    2   25   17 o   25.931   7.6536   0.5238   6.6977 7.065723 15.30717 
1 1 1    2   25   18 o  320.969   3.7925  1031.71   24.345      ?      ? 
1 1 1    2   25   20 o   22.936   7.3931  -7.3382   7.6684 -3.535437 14.78623 
1 1 1    2   25   21 o   93.884   4.2329   88.902   7.9276 -1.549095 8.465789 
1 1 1    2   25   23 o  272.407   3.6386  742.950   19.824      ?      ? 
1 1 1    2   25   24 o   22.879   7.5713 -11.6502   8.6190 3.354652 15.14256 
1 1 1    2   25   25 o   26.500   8.3075  -3.3754   8.7247 1.941341 16.61506 
1 1 1    2   25   26 o  232.411   2.6490  541.283   12.279 1.975708 5.297996 
1 1 1    2   25   27 o  101.617   4.7326  104.505   9.5505 1.504776 9.465211 
1 1 1    2   25   28 o  197.729   2.8811  392.666   11.347 1.713806 5.762270 
1 1 1    2   25   29 o   55.005   9.0069   33.041   9.7155 3.072422 18.01374 
1 1 1    2   25   30 o   51.068   9.3323   28.775   9.8322 -14.18770 18.66457 
1 1 1    2   25   31 o  122.041   4.1457  150.392   10.100 -2.322258 8.291338 
1 1 1    2   25   32 o   88.471   5.4219   81.572   9.5769 7.220474 10.84387 
1 1 1    2   26    0 o  281.248   4.6417  792.202   26.109      ?      ? 
1 1 1    2   26    1 o  395.524   5.8112  1568.14   45.969      ?      ? 
1 1 1    2   26    2 o  180.785   4.7373  327.366   17.128      ?      ? 
1 1 1    2   26    3 o  145.602   5.4009  212.472   15.728      ?      ? 
1 1 1    2   26    4 o  258.148   4.7231  667.629   24.385      ?      ? 
1 1 1    2   26    5 o  240.982   4.7218  581.890   22.757      ?      ? 
1 1 1    2   26    6 f  259.208   3.2767  673.885   16.971 10.63857 6.553347 
1 1 1    2   26    7 o  150.672   3.8023  229.316   11.374 13.11467 7.604583 
1 1 1    2   26    8 o  183.164   3.4460  336.612   12.599 3.421936 6.891908 
1 1 1    2   26    9 o  181.630   3.5496  330.967   12.879 3.609116 7.099115 
1 1 1    2   26   10 f  180.359   3.6554  326.219   13.183 -0.3489685E-01 7.310849 
1 1 1    2   26   11 o  288.847   3.5505  836.621   20.508 3.002136 7.100954 
1 1 1    2   26   12 o  230.013   3.4892  530.661   16.049 4.990875 6.978358 
1 1 1    2   26   13 o  154.594   4.1579  240.190   12.855 0.5305328 8.315723 
1 1 1    2   26   14 o   80.050   7.5698   64.809   12.040 12.88717 15.13966 
1 1 1    2   26   15 o   48.391   11.126   23.775   12.380 -4.637669 22.25132 
1 1 1    2   26   16 o   93.934   5.9349  110.722   7.4656 -32.54762 11.86984 
1 1 1    2   26   17 o  307.850   5.3288  949.332   32.810      ?      ? 
1 1 1    2   26   18 o   28.666   8.9471  -2.3295   8.0953 12.90823 17.89410 
1 1 1    2   26   19 o  199.626   2.3879  399.559   9.5269 -2.489868 4.775858 
1 1 1    2   26   20 o  136.504   2.9787  186.836   8.1250 -8.109100 5.957482 
1 1 1    2   26   21 o  231.085   2.5138  534.526   11.602 -16.23524 5.027540 
1 1 1    2   26   22 o  253.311   3.6073  642.646   18.275      ?      ? 
1 1 1    2   26   23 o   48.549   8.1821   25.714   7.8354 -6.785084 16.36422 
1 1 1    2   26   24 o  154.313   2.9812  239.395   9.1494 -0.5378418 5.962350 
1 1 1    2   26   25 o   67.774   8.6984   46.689   11.790      ?      ? 
1 1 1    2   26   26 o   46.622   9.2635   23.545   8.9940 -2.638973 18.52690 
1 1 1    2   26   27 o   39.065   9.3859   14.828   9.1410 -10.18406 18.77170 
1 1 1    2   26   28 o   26.418   8.3228  -6.1612   9.3181 -6.970839 16.64554 
1 1 1    2   26   29 o   83.563   5.8314   71.367   9.7176 -0.9064865 11.66287 
1 1 1    2   26   30 o   70.568   7.5807   54.246   9.8819 -25.86234 15.16140 
1 1 1    2   26   31 o  157.865   4.4552  252.439   14.066      ?      ? 
1 1 1    2   27    0 o  418.836   6.0625  1760.47   50.784      ?      ? 
1 1 1    2   27    1 o  149.305   4.8504  223.427   14.484      ?      ? 
1 1 1    2   27    2 o  271.981   4.5490  741.204   24.745      ?      ? 
1 1 1    2   27    3 o  216.077   4.3579  467.737   18.833      ?      ? 
1 1 1    2   27    4 o  171.112   4.6932  293.412   16.061      ?      ? 
1 1 1    2   27    5 o  282.794   4.7515  801.525   26.874      ?      ? 
1 1 1    2   27    6 o   94.113   7.8427   89.152   14.762      ?      ? 
1 1 1    2   27    7 o  107.532   4.7049  116.648   10.050 3.993362 9.409773 
1 1 1    2   27    8 o  191.911   3.3038  369.197   12.662 -0.4773254 6.607585 
1 1 1    2   27    9 o  418.244   4.3227  1757.68   36.156 -1.213226 8.645352 
1 1 1    2   27   10 o  346.078   3.7861  1202.25   26.201 6.747528 7.572145 
1 1 1    2   27   11 o  129.159   4.4816  167.699   11.565 -1.648849 8.963100 
1 1 1    2   27   12 o  200.861   3.5231  404.544   14.142 -5.016968 7.046166 
1 1 1    2   27   13 o  128.653   4.7686  167.005   12.267 -0.3887482 9.537123 
1 1 1    2   27   14 o  129.871   5.3289  172.058   13.343 -43.84138 10.65781 
1 1 1    2   27   15 f  218.799   3.8200  482.970   16.558 33.61348 7.639902 
1 1 1    2   27   16 o  129.322   5.0693  164.749   12.869 -17.22915 10.13870 
1 1 1    2   27   17 o  128.234   3.7449  160.090   7.1470 5.644844 7.489855 
1 1 1    2   27   18 o   56.732   8.6840   34.497   7.1620 -4.164238 17.36807 
1 1 1    2   27   19 o  126.892   4.4668  166.865   9.0007 -5.331383 8.933568 
1 1 1    2   27   20 o  205.996   3.1213  418.764   11.435 6.520401 6.242674 
1 1 1    2   27   21 o  127.784   3.2775  164.522   8.3363 -3.048683 6.555039 
1 1 1    2   27   22 o  196.206   2.5158  387.314   9.8369 -6.261566 5.031675 
1 1 1    2   27   23 o   89.264   7.0258   80.594   12.543      ?      ? 
1 1 1    2   27   24 o   26.914   8.2783  -1.2052   8.3136 -0.3275223 16.55656 
1 1 1    2   27   25 o  139.042   3.3009  194.283   9.1646 2.320694 6.601798 
1 1 1    2   27   26 o   47.738   8.7649   24.521   8.5344 10.39745 17.52990 
1 1 1    2   27   27 o   98.862   4.5447   99.273   8.9724 6.232742 9.089456 
1 1 1    2   27   28 o   88.215   5.2630   79.589   9.2373 -6.473305 10.52596 
1 1 1    2   27   29 o  123.406   3.9100  153.443   9.6407 7.514008 7.819994 
1 1 1    2   27   30 o   88.250   5.2116   81.478   9.1607 6.656853 10.42324 
1 1 1    2   28    0 o  312.647   4.7775  980.152   29.874      ?      ? 
1 1 1    2   28    1 o  193.109   4.1473  373.681   16.018      ?      ? 
1 1 1    2   28    2 o  174.961   4.2980  306.801   15.040      ?      ? 
1 1 1    2   28    3 o  204.307   4.2480  418.353   17.358      ?      ? 
1 1 1    2   28    4 o  179.919   4.4877  324.558   16.149      ?      ? 
1 1 1    2   28    5 f  331.642   5.1056  1103.82   33.865      ?      ? 
1 1 1    2   28    6 f  297.437   4.8155  887.667   28.646      ?      ? 
1 1 1    2   28    7 o  114.020   4.1715  128.111   9.4102 -15.52575 8.342976 
1 1 1    2   28    8 f   99.932   4.8434  100.527   9.5974 -0.8119965E-01 9.686749 
1 1 1    2   28    9 o  112.494   4.5899  127.627   10.262 2.325035 9.179767 
1 1 1    2   28   10 o   27.022   8.6768  -8.5123   10.317 2.964115 17.35354 
1 1 1    2   28   11 o   33.762   9.9647   2.9576   11.275 1.928932 19.92945 
1 1 1    2   28   12 o  317.471   3.6995  1008.30   23.469 -10.85141 7.399056 
1 1 1    2   28   13 f  146.237   4.5987  215.837   13.154 39.23406 9.197426 
1 1 1    2   28   15 o  175.006   3.9128  307.803   13.688 -4.695770 7.825558 
1 1 1    2   28   16 o  136.671   4.8981  188.372   13.377 7.454025 9.796175 
1 1 1    2   28   17 o  127.095   5.3689  164.683   13.647 -0.4194260 10.73773 
1 1 1    2   28   18 o  184.285   5.9582  341.189   21.960      ?      ? 
1 1 1    2   28   19 f  245.738   5.3611  606.435   26.348      ?      ? 
1 1 1    2   28   20 o  305.512   3.2334  955.567   18.504 -16.86740 6.466787 
1 1 1    2   28   21 o  174.073   3.5941  294.605   10.528 10.59300 7.188154 
1 1 1    2   28   22 o   94.801   4.0991   90.225   7.7593 4.335281 8.198177 
1 1 1    2   28   23 o  249.525   2.5080  625.584   12.513 -3.746826 5.016046 
1 1 1    2   28   24 o   44.282   8.9611   20.968   8.3584 5.331596 17.92210 
1 1 1    2   28   25 o  160.991   2.9430  261.495   9.4284 -6.882553 5.886061 
1 1 1    2   28   26 o   51.264   8.4598   27.999   8.5200 11.95852 16.91968 
1 1 1    2   28   27 o   74.781   6.1497   58.125   9.0115 -6.987648 12.29946 
1 1 1    2   28   28 o  150.698   3.2683  227.865   9.8248 4.210495 6.536527 
1 1 1    2   28   29 o   51.460   8.0027   36.045   9.2563 38.28844 16.00546 
1 1 1    2   29    0 o  157.101   4.1810  247.440   13.137      ?      ? 
1 1 1    2   29    1 o  146.708   4.4902  215.871   13.175      ?      ? 
1 1 1    2   29    2 o  193.630   4.1590  375.885   16.106      ?      ? 
1 1 1    2   29    3 o  219.651   4.1988  483.743   18.445      ?      ? 
1 1 1    2   29    4 o  295.432   4.7105  875.814   27.833      ?      ? 
1 1 1    2   29    5 o  204.073   4.3804  417.811   17.878      ?      ? 
1 1 1    2   29    6 o  115.968   6.3058  135.558   14.625      ?      ? 
1 1 1    2   29    7 o  137.559   6.0114  190.602   16.539      ?      ? 
1 1 1    2   29    8 o  267.954   3.3296  696.068   17.412 -38.73756 6.659223 
1 1 1    2   29    9 f  405.734   4.2396  1645.07   34.349 21.36771 8.479177 
1 1 1    2   29   10 o  160.320   4.3986  272.062   12.990 74.14970 8.797233 
1 1 1    2   29   11 o  106.986   5.3347  115.785   11.322 -0.7686844 10.66938 
1 1 1    2   29   12 o   40.617   10.181   15.240   10.546 6.342323 20.36266 
1 1 1    2   29   13 o  169.242   3.7119  287.944   12.546 -0.7300720 7.423766 
1 1 1    2   29   14 o  213.690   3.5018  457.424   14.932 -10.07317 7.003593 
1 1 1    2   29   15 o  166.098   4.3076  281.409   14.234 15.63603 8.615244 
1 1 1    2   29   16 o  228.662   3.9339  521.250   17.919 -27.10049 7.867766 
1 1 1    2   29   17 o  167.441   4.5441  281.842   15.217 -0.8664856 9.088190 
1 1 1    2   29   18 o  165.291   4.4113  276.433   14.558 -2.050858 8.822550 
1 1 1    2   29   19 o  161.109   3.5438  257.339   8.6166 3.184937 7.087549 
1 1 1    2   29   20 o   24.662   8.0046  -4.1286   7.5197 2.648058 16.00928 
1 1 1    2   29   21 f  172.832   3.7770  313.984   10.561 -13.62398 7.554060 
1 1 1    2   29   22 o   35.307   10.121   4.0359   9.0496 17.74472 20.24283 
1 1 1    2   29   23 f   72.049   8.4770   52.600   9.6423 2.749779 16.95405 
1 1 1    2   29   24 o   25.167   7.8940  -4.8093   8.0955 7.071190 15.78794 
1 1 1    2   29   25 f  185.837   2.7162  346.240   10.064 4.609818 5.432459 
1 1 1    2   29   26 o  103.226   4.3992  109.791   8.8810 -11.97967 8.798403 
1 1 1    2   29   27 o   53.232   11.372   30.401   11.752      ?      ? 
1 1 1    2   30    0 o  321.222   4.9426  1033.86   31.753      ?      ? 
1 1 1    2   30    1 o  207.997   4.2668  433.241   17.750      ?      ? 
1 1 1    2   30    2 o  212.715   4.3593  453.085   18.546      ?      ? 
1 1 1    2   30    3 o  261.417   4.5437  684.271   23.756      ?      ? 
1 1 1    2   30    4 o  305.711   4.9134  935.909   30.042      ?      ? 
1 1 1    2   30    5 o  179.719   4.8112  323.472   17.293      ?      ? 
1 1 1    2   30    6 o   94.894   7.9314   90.598   15.053      ?      ? 
1 1 1    2   30    7 o   18.719   9.3638 -42.7497   15.115      ?      ? 
1 1 1    2   30    8 o  204.059   3.1615  419.067   12.757 1.560669 6.323043 
1 1 1    2   30    9 o  231.711   3.1442  531.182   14.378 -19.56213 6.288357 
1 1 1    2   30   10 o   65.949   7.9546   44.666   10.221 -9.517811 15.90914 
1 1 1    2   30   11 o  216.912   3.3573  469.416   14.503 -16.10532 6.714549 
1 1 1    2   30   12 o  260.061   3.4373  680.713   17.861 1.424438 6.874502 
1 1 1    2   30   13 o  246.033   3.5335  609.322   17.323 -6.952286 7.066904 
1 1 1    2   30   14 o  249.518   3.6697  619.606   18.226 -18.10582 7.339435 
1 1 1    2   30   15 o  208.268   4.0396  437.272   16.768 18.86269 8.079150 
1 1 1    2   30   16 o  200.693   4.0548  406.642   16.271 4.424301 8.109650 
1 1 1    2   30   17 o  142.204   4.9113  204.825   13.952 5.704834 9.822601 
1 1 1    2   30   18 o  203.506   4.0098  415.845   16.264 7.818939 8.019697 
1 1 1    2   30   19 o  139.110   5.3473  195.945   14.856 10.37013 10.69456 
1 1 1    2   30   20 o  166.352   4.7922  280.301   15.883 -20.18311 9.584473 
1 1 1    2   30   21 o  138.145   4.2036  190.436   8.5892 1.656418 8.407149 
1 1 1    2   30   22 o   53.155   9.3980   31.324   8.0693 -6.278397 18.79599 
1 1 1    2   30   23 o   89.439   6.4769   75.914   9.1174 10.02383 12.95386 
1 1 1    2   30   24 o   68.900   9.2743   58.240   9.6918 -19.88060 18.54852 
1 1 1    2   30   25 o   60.637   9.2872   48.031   9.7078 -26.94147 18.57447 
1 1 1    2   30   26 o   42.058   8.9651   19.152   8.3370 -7.948296 17.93015 
1 1 1    2   31    0 o  341.281   5.1299  1171.45   35.014      ?      ? 
1 1 1    2   31    1 o  125.613   4.7952  158.567   12.047      ?      ? 
1 1 1    2   31    2 o  130.971   4.8555  172.359   12.719      ?      ? 
1 1 1    2   31    3 f  155.818   4.5276  243.760   14.110      ?      ? 
1 1 1    2   31    4 o  227.341   4.3300  518.704   19.688      ?      ? 
1 1 1    2   31    5 o  223.737   4.3289  502.466   19.371      ?      ? 
1 1 1    2   31    6 o  145.704   4.8967  213.374   14.270      ?      ? 
1 1 1    2   31    7 o  143.260   5.1862  206.374   14.860      ?      ? 
1 1 1    2   31    8 o   74.936   9.9817   57.400   14.960      ?      ? 
1 1 1    2   31    9 o   34.965   9.4918   8.4937   10.053 9.989491 18.98364 
1 1 1    2   31   10 o   24.408   8.1942 -18.7084   10.997 2.398813 16.38833 
1 1 1    2   31   11 o  298.940   3.6027  893.790   21.503 -11.62396 7.205325 
1 1 1    2   31   12 o  152.270   4.5004  237.667   13.262 45.64644 9.000897 
1 1 1    2   31   13 o  137.717   4.8068  193.674   13.129 15.03465 9.613625 
1 1 1    2   31   14 o  143.012   4.6283  207.804   13.179 13.73213 9.256658 
1 1 1    2   31   15 o   68.201   9.5257   51.355   12.646 28.95065 19.05140 
1 1 1    2   31   16 o  150.011   4.6142  226.783   13.813 -14.02806 9.228317 
1 1 1    2   31   17 o   77.263   8.9513   63.862   13.204 20.38946 17.90256 
1 1 1    2   31   18 f  134.873   5.2545  185.098   14.169 -3.654465 10.50894 
1 1 1    2   31   19 o  131.137   5.5643  175.044   14.591 -2.418518 11.12866 
1 1 1    2   31   20 o  169.405   4.6913  290.813   15.893 -0.8918762E-01 9.382692 
1 1 1    2   31   21 o  118.449   6.5732  143.889   15.533 6.972069 13.14630 
1 1 1    2   31   22 o  106.303   5.3300  101.444   7.8880 16.55619 10.65994 
1 1 1    2   31   23 o  100.720   5.9094  104.471   8.6417 -2.705750 11.81870 
1 1 1    2   31   24 o  121.282   4.8377  143.595   9.4481 6.461601 9.675362 
1 1 1    2   31   25 o   76.268   7.2542   56.273   8.9943 12.99094 14.50831 
1 1 1    2   32    0 o  136.896   2.4535  187.767   6.7175      ?      ? 
1 1 1    2   32    1 o  308.240   4.7500  957.264   29.283      ?      ? 
1 1 1    2   32    2 o  212.345   4.1604  453.851   17.669      ?      ? 
1 1 1    2   32    3 o  145.028   4.9154  212.621   14.257      ?      ? 
1 1 1    2   32    4 f  156.841   4.9417  248.719   15.501      ?      ? 
1 1 1    2   32    6 o  107.746   7.0345  116.870   15.159      ?      ? 
1 1 1    2   32    7 o  226.473   4.6840  513.942   21.216      ?      ? 
1 1 1    2   32    8 o  171.415   5.5951  294.802   19.182      ?      ? 
1 1 1    2   32    9 o  164.521   5.9217  272.573   19.485      ?      ? 
1 1 1    2   32   10 o  104.902   5.2840  112.682   10.885 4.968010 10.56808 
1 1 1    2   32   11 o  282.577   3.4739  803.723   19.629 7.914185 6.947841 
1 1 1    2   32   12 o  147.667   4.1683  221.830   12.220 17.97902 8.336504 
1 1 1    2   32   13 f  135.516   4.5113  184.926   12.199 -6.559219 9.022529 
1 1 1    2   32   14 o   83.112   7.4429   71.982   12.078 18.70080 14.88581 
1 1 1    2   32   15 o  162.811   4.2831  267.961   13.943 -4.237320 8.566189 
1 1 1    2   32   16 f  127.309   5.4384  165.115   13.817 -10.05460 10.87684 
1 1 1    2   32   17 o  100.054   6.7446  103.254   13.433 9.872505 13.48928 
1 1 1    2   32   18 o   64.498   10.498   45.843   13.261 -3.966160 20.99623 
1 1 1    2   32   19 o  121.193   5.8722  150.625   14.191 4.221603 11.74443 
1 1 1    2   32   20 o  108.335   6.8523  121.008   14.830 6.308311 13.70458 
1 1 1    2   32   21 o   81.910   9.6051   74.319   14.841 -20.05708 19.21018 
1 1 1    2   32   22 o   87.816   8.1711   80.947   14.111 -14.09367 16.34220 
1 1 1    2   32   23 o   32.708   10.269  -4.0399   13.252 3.527079 20.53765 
1 1 1    2   33    0 o  207.880   2.5362  432.638   10.545      ?      ? 
1 1 1    2   33    1 o  160.252   3.9277  257.541   12.589      ?      ? 
1 1 1    2   33    2 o  188.827   4.1248  357.827   15.578      ?      ? 
1 1 1    2   33    3 o   93.604   6.8111   88.621   12.751      ?      ? 
1 1 1    2   33    4 o   16.629   8.3805 -39.3094   12.762      ?      ? 
1 1 1    2   33    5 o   20.295   9.9103 -23.9271   13.271      ?      ? 
1 1 1    2   33    6 o   18.718   9.2873 -30.5075   13.181      ?      ? 
1 1 1    2   33    7 o  115.721   6.1293  135.375   14.186      ?      ? 
1 1 1    2   33    8 o   99.888   7.5589  101.540   15.101      ?      ? 
1 1 1    2   33    9 o  298.166   5.0252  895.448   29.967      ?      ? 
1 1 1    2   33   10 o  163.100   5.3829  267.771   17.559      ?      ? 
1 1 1    2   33   11 o  159.572   3.9226  258.382   12.387 24.80870 7.845152 
1 1 1    2   33   12 o  119.647   4.9379  147.651   11.586 14.36944 9.875742 
1 1 1    2   33   13 o   71.971   8.3118   55.953   11.392 10.39581 16.62352 
1 1 1    2   33   14 o  131.992   4.8522  175.708   12.778 -8.228119 9.704346 
1 1 1    2   33   15 o  168.993   4.2404  288.948   14.324 3.085953 8.480898 
1 1 1    2   33   16 o  220.665   3.7868  491.195   16.712 -0.2135010 7.573613 
1 1 1    2   33   17 o   85.512   7.8185   76.698   13.278 8.316078 15.63706 
1 1 1    2   33   18 o   97.778   7.1067   98.462   13.875 -7.559517 14.21334 
1 1 1    2   33   19 o   76.552   9.3707   62.718   14.067 2.926010 18.74135 
1 1 1    2   33   20 o  257.272   3.8932  666.795   20.021 2.956741 7.786469 
1 1 1    2   33   21 o  188.839   4.2701  356.497   16.026 18.40677 8.540290 
1 1 1    2   34    2 o  186.024   3.9514  347.540   14.701      ?      ? 
1 1 1    2   34    3 o  258.294   4.3492  670.449   22.467      ?      ? 
1 1 1    2   34    4 o  203.953   4.2724  417.782   17.427      ?      ? 
1 1 1    2   34    5 o  278.934   4.6654  781.659   26.027      ?      ? 
1 1 1    2   34    6 o  135.484   5.7513  184.756   15.584      ?      ? 
1 1 1    2   34    7 f   56.276   13.477   34.143   14.991      ?      ? 
1 1 1    2   34    8 o   20.574   10.125 -28.5617   14.435      ?      ? 
1 1 1    2   34    9 o   20.180   9.9957 -33.4785   15.092      ?      ? 
1 1 1    2   34   10 o   70.105   11.238   50.946   15.756      ?      ? 
1 1 1    2   34   11 o  163.036   3.8117  267.672   12.379 -1.942612 7.623316 
1 1 1    2   34   12 o   59.319   9.8627   38.427   11.490 -6.187874 19.72538 
1 1 1    2   34   13 o  154.328   4.2636  240.920   13.142 1.762085 8.527117 
1 1 1    2   34   14 o  142.779   4.6222  206.618   13.178 -1.070831 9.244358 
1 1 1    2   34   15 o   62.742   10.344   44.496   12.964 18.95335 20.68714 
1 1 1    2   34   16 o   70.877   9.5470   54.429   13.027 5.242180 19.09390 
1 1 1    2   34   17 o   43.054   11.011   13.704   13.082 19.32283 22.02102 
1 1 1    2   34   18 o  181.828   4.2035  333.102   15.259 4.190399 8.407098 
1 1 1    2   34   19 o   76.317   9.2152   64.485   13.223 -20.63528 18.43039 
1 1 1    2   35    2 o  163.331   3.8258  268.128   12.497      ?      ? 
1 1 1    2   35    3 o   93.564   6.2312   88.646   11.660      ?      ? 
1 1 1    2   35    4 o  148.324   4.7054  221.434   13.958      ?      ? 
1 1 1    2   35    5 o  158.409   4.7878  252.504   15.169      ?      ? 
1 1 1    2   35    6 o  156.916   5.2064  248.081   16.339      ?      ? 
1 1 1    2   35    7 o  215.339   4.7492  466.871   20.454      ?      ? 
1 1 1    2   35    8 f  212.354   4.7263  454.100   20.073      ?      ? 
1 1 1    2   35    9 o  155.396   5.5080  243.708   17.118      ?      ? 
1 1 1    2   35   10 o   88.308   9.0591   79.973   16.000      ?      ? 
1 1 1    2   35   11 o  241.763   4.9152  589.295   23.767      ?      ? 
1 1 1    2   35   12 o  118.520   7.4639  143.236   17.692      ?      ? 
1 1 1    2   35   13 o  166.003   4.1639  278.104   13.813 8.821671 8.327778 
1 1 1    2   35   14 o  168.336   4.1790  286.283   14.053 11.54085 8.357908 
1 1 1    2   35   15 o  242.919   3.6661  594.039   17.803 6.564056 7.332270 
1 1 1    2   35   16 o  164.950   4.2114  274.574   13.886 0.7872009E-01 8.422791 
1 1 1    2   35   17 o  150.752   4.4116  227.984   13.231 19.48018 8.823203 
1 1 1    2   36    3 o  106.136   5.2920  113.615   11.233      ?      ? 
1 1 1    2   36    4 o  143.967   4.7960  208.754   13.809      ?      ? 
1 1 1    2   36    5 o  142.408   5.1897  204.567   14.781      ?      ? 
1 1 1    2   36    6 o   98.999   7.3452   99.806   14.543      ?      ? 
1 1 1    2   36    7 o  121.035   6.4580  148.664   15.633      ?      ? 
1 1 1    2   36    8 f  130.546   6.2400  172.721   16.292      ?      ? 
1 1 1    2   36    9 o  103.224   7.8054  108.596   16.114      ?      ? 
1 1 1    2   36   10 o  134.383   6.1090  182.710   16.419      ?      ? 
1 1 1    2   36   11 o  226.198   4.7782  515.438   21.616      ?      ? 
1 1 1    2   36   12 f  145.328   5.9021  213.192   17.155      ?      ? 
1 1 1    2   36   13 o  169.227   5.3983  288.520   18.271      ?      ? 
1 1 1    2   36   14 o  164.846   5.6604  274.397   18.662      ?      ? 
1 1 1    2   36   15 o  123.125   6.8864  158.947   16.958      ?      ? 
1 1 1    2   37    4 f  250.078   4.2320  628.962   21.167      ?      ? 
1 1 1    2   37    5 o  219.816   4.1935  485.968   18.436      ?      ? 
1 1 1    2   37    6 o  123.690   5.5386  154.493   13.701      ?      ? 
1 1 1    2   37    7 o  132.910   5.5751  178.231   14.820      ?      ? 
1 1 1    2   37    8 o  145.259   5.4147  212.603   15.731      ?      ? 
1 1 1    2   37    9 o  160.042   5.2223  257.926   16.716      ?      ? 
1 1 1    2   37   10 o  125.284   6.1590  158.633   15.433      ?      ? 
1 1 1    2   37   11 o   48.768   14.075   26.300   14.491      ?      ? 
1 1 1    2   37   12 o  145.137   6.1336  249.413   17.804      ?      ? 
1 1 1    2   38    4 o  135.498   3.7606  184.365   10.191      ?      ? 
1 1 1    2   38    5 o  223.086   4.1068  500.488   18.323      ?      ? 
1 1 1    2   38    6 o  146.007   4.6674  215.290   13.629      ?      ? 
1 1 1    2   38    7 o  105.454   5.9409  115.905   12.530      ?      ? 
1 1 1    3    0    2 o  370.373   5.1328  1372.94   38.005 -0.000000 0.000000 
1 1 1    3    0    3 o  348.214   3.4333  1213.47   23.899 -0.000000 0.000000 
1 1 1    3    0    4 o   99.680   2.4560   99.805   4.8738 -0.000000 0.000000 
1 1 1    3    0    5 o  565.477   5.4998  3200.65   62.164 -0.000000 0.000000 
1 1 1    3    0    6 o   81.301   3.5108   67.008   5.6348 -0.000000 0.000000 
1 1 1    3    0    7 o  437.336   4.3157  1913.89   37.725 -0.000000 0.000000 
1 1 1    3    0    8 o  330.547   3.3995  1093.53   22.463 -0.000000 0.000000 
1 1 1    3    0    9 o  217.422   2.7755  473.020   12.057 -0.000000 0.000000 
1 1 1    3    0   10 o  454.139   4.5142  2065.03   40.983 -0.000000 0.000000 
1 1 1    3    0   11 o  451.526   4.5034  2041.60   40.648 -0.000000 0.000000 
1 1 1    3    0   12 o  589.490   5.7851  3482.21   68.176 -0.000000 0.000000 
1 1 1    3    0   13 o  511.532   5.0757  2621.32   51.905 -0.000000 0.000000 
1 1 1    3    0   14 o  223.350   3.1349  499.230   13.982 -0.000000 0.000000 
1 1 1    3    0   15 o   27.827   11.353   8.6674   10.417 -0.000000 0.000000 
1 1 1    3    0   16 o  292.482   3.5476  856.239   20.729 -0.000000 0.000000 
1 1 1    3    0   17 f  196.511   3.7609  387.271   14.749 -0.000000 0.000000 
1 1 1    3    0   18 o  532.699   5.3946  2841.38   57.446 -0.000000 0.000000 
1 1 1    3    0   19 o  217.590   4.1336  474.691   17.958 -0.000000 0.000000 
1 1 1    3    0   20 o   35.176   13.727   16.761   14.470 -0.000000 0.000000 
1 1 1    3    0   21 o   22.794   11.199 -41.1993   17.120 -0.000000 0.000000 
1 1 1    3    0   23 o   65.403   15.148   55.248   18.083 -0.000000 0.000000 
1 1 1    3    0   24 o  321.016   4.2977  1032.32   27.558 -0.000000 0.000000 
1 1 1    3    0   25 f  142.071   6.5154  206.426   18.184 -0.000000 0.000000 
1 1 1    3    0   26 o   42.889   15.786   27.363   17.427 -0.000000 0.000000 
1 1 1    3    0   27 o   36.185   14.431   14.824   17.501 -0.000000 0.000000 
1 1 1    3    0   28 o  258.713   4.3632  670.619   22.448 -0.000000 0.000000 
1 1 1    3    0   29 o   32.697   13.230   5.8186   16.684 -0.000000 0.000000 
1 1 1    3    0   30 o   38.961   13.349   18.019   16.012 -0.000000 0.000000 
1 1 1    3    0   31 o   22.957   11.105 -11.3834   15.523 -0.000000 0.000000 
1 1 1    3    0   32 o  141.378   6.2111  205.898   17.214 -0.000000 0.000000 
1 1 1    3    0   33 o  195.860   4.9392  384.691   19.084 -0.000000 0.000000 
1 1 1    3    0   34 o   77.508   12.286   74.560   15.721 -0.000000 0.000000 
1 1 1    3    0   35 o  204.719   4.8170  429.834   19.055 -0.000000 0.000000 
1 1 1    3    0   36 o   26.282   11.715  -9.4823   16.050 -0.000000 0.000000 
1 1 1    3    0   37 o   19.375   9.9805 -40.4176   16.510 -0.000000 0.000000 
1 1 1    3    0   38 o   17.910   9.2701 -42.5554   16.741 -0.000000 0.000000 
1 1 1    3    0   39 o   45.301   15.846   32.377   16.872 -0.000000 0.000000 
1 1 1    3    0   40 o   28.732   13.246  -0.6984   17.245 -0.000000 0.000000 
1 1 1    3    0   41 o   98.779   9.2000  103.741   17.124 -0.000000 0.000000 
1 1 1    3    0   42 o   47.789   15.127   74.057   16.460 -0.000000 0.000000 
1 1 1    3    1    2 o  574.064   5.5638  3299.19   63.868 -6.601135 11.12756 
1 1 1    3    1    3 o  335.268   2.3437  1123.49   15.706 6.794830 4.687424 
1 1 1    3    1    4 o  387.510   2.6947  1501.53   20.879 -5.855377 5.389414 
1 1 1    3    1    5 o  281.086   2.0547  789.040   11.540 -9.405090 4.109339 
1 1 1    3    1    6 o  541.186   3.7282  2930.23   40.353 -0.2476807 7.456450 
1 1 1    3    1    7 o  516.460   3.5690  2668.14   36.861 -4.566101 7.137911 
1 1 1    3    1    8 f  477.760   3.3266  2283.51   31.785 -1.825287 6.653099 
1 1 1    3    1    9 o  499.385   3.4764  2495.39   34.721 1.491974 6.952700 
1 1 1    3    1   10 o  159.661   2.0348  254.870   6.4935 -2.041901 4.069517 
1 1 1    3    1   11 o  138.837   2.2470  192.859   6.2316 9.203003 4.494076 
1 1 1    3    1   12 o  295.662   2.3095  874.528   13.656 2.324127 4.618908 
1 1 1    3    1   13 o  337.971   2.5470  1142.66   17.213 -4.297791 5.093946 
1 1 1    3    1   14 o  212.464   2.2268  451.386   9.4599 5.748199 4.453540 
1 1 1    3    1   15 o  251.032   2.3398  630.470   11.746 2.797791 4.679504 
1 1 1    3    1   16 o  366.130   2.7931  1341.16   20.453 -0.3572998 5.586232 
1 1 1    3    1   17 o  364.483   2.8276  1328.90   20.610 -2.595886 5.655213 
1 1 1    3    1   18 o   38.120   9.6224   10.797   9.6802 -12.77779 19.24477 
1 1 1    3    1   19 o  250.482   2.7845  627.338   13.945 -4.783203 5.568946 
1 1 1    3    1   20 o  366.542   2.9678  1343.76   21.753 -5.215027 5.935592 
1 1 1    3    1   22 o  143.211   4.5647  205.305   13.074 -1.895279 9.129483 
1 1 1    3    1   23 o  171.414   3.8795  293.991   13.294 7.080322 7.759020 
1 1 1    3    1   24 o  176.881   3.8307  313.574   13.525 -12.79977 7.661475 
1 1 1    3    1   25 o  198.372   3.5045  393.936   13.903 -2.960464 7.009087 
1 1 1    3    1   26 o  155.503   4.2387  242.443   13.171 -6.273361 8.477351 
1 1 1    3    1   27 o  230.161   3.2366  530.416   14.898 -0.4554443 6.473115 
1 1 1    3    1   29 o  137.726   4.4713  191.070   12.260 14.94548 8.942548 
1 1 1    3    1   30 o  111.583   5.1721  125.333   11.534 4.004868 10.34429 
1 1 1    3    1   31 o   46.936   10.100   21.856   11.089 -18.38241 20.20026 
1 1 1    3    1   33 o  145.362   6.1864  211.920   17.985      ?      ? 
1 1 1    3    1   34 o   21.658   7.4967 -29.2403   10.910 -0.8322983 14.99347 
1 1 1    3    1   35 o   57.461   9.8010   37.144   11.464 20.86385 19.60201 
1 1 1    3    1   36 o   29.430   9.2660  -5.4276   11.166 3.310617 18.53209 
1 1 1    3    1   37 o   72.785   8.5903   57.409   11.786 26.60038 17.18061 
1 1 1    3    1   38 o   55.573   14.808   34.556   16.760      ?      ? 
1 1 1    3    1   39 o   47.124   10.912   23.348   11.981 -5.911064 21.82394 
1 1 1    3    1   40 o   76.715   8.0747   61.473   12.334 -9.368362 16.14935 
1 1 1    3    1   41 o   96.162   6.3141   94.428   12.128 -0.8163300 12.62821 
1 1 1    3    2    2 o  391.902   3.8331  1536.35   30.037 5.585114 7.666163 
1 1 1    3    2    3 o  633.845   4.3408  4019.38   55.013 -8.813293 8.681533 
1 1 1    3    2    4 f  437.355   3.0247  1913.15   26.454 4.272095 6.049441 
1 1 1    3    2    5 o  143.015   1.6383  204.262   4.6787 3.392441 3.276685 
1 1 1    3    2    6 o  578.158   3.9759  3342.56   45.953 -10.49896 7.951723 
1 1 1    3    2    7 o  308.464   2.2621  951.294   13.951 -4.918579 4.524168 
1 1 1    3    2    8 f  667.822   4.5899  4462.02   61.286 -10.03418 9.179882 
1 1 1    3    2    9 o  454.591   3.1861  2066.04   28.950 9.799194 6.372279 
1 1 1    3    2   10 o  296.610   2.2572  879.433   13.383 6.862701 4.514338 
1 1 1    3    2   11 o  247.605   2.0831  613.292   10.315 -0.6293793 4.166299 
1 1 1    3    2   12 o  259.744   2.1639  674.755   11.239 -3.743530 4.327827 
1 1 1    3    2   13 o  149.141   2.3955  222.553   7.1431 -5.016357 4.791075 
1 1 1    3    2   14 o  224.827   2.2005  505.606   9.8940 -2.576874 4.401067 
1 1 1    3    2   15 o  241.882   2.3298  585.402   11.269 4.999298 4.659647 
1 1 1    3    2   16 o  273.734   2.4415  749.417   13.365 5.630341 4.882931 
1 1 1    3    2   17 o  155.857   3.0844  242.471   9.6028 9.928879 6.168840 
1 1 1    3    2   18 o  287.761   2.6777  827.860   15.406 6.829559 5.355356 
1 1 1    3    2   19 o  335.900   2.8527  1128.03   19.156 -6.374451 5.705387 
1 1 1    3    2   20 o  366.302   3.0228  1338.09   22.094 -16.39560 6.045658 
1 1 1    3    2   21 o  788.759   5.4999  6230.62   86.762 -1.888550 10.99986 
1 1 1    3    2   23 o  373.594   3.1615  1396.68   23.623 0.5245667 6.323068 
1 1 1    3    2   24 o  157.570   4.2205  248.858   13.285 -7.458038 8.441015 
1 1 1    3    2   25 o  294.713   3.0206  868.971   17.798 3.210541 6.041121 
1 1 1    3    2   26 o  161.050   4.0332  259.585   12.974 11.57141 8.066339 
1 1 1    3    2   27 o  183.419   3.6534  336.957   13.398 6.288925 7.306716 
1 1 1    3    2   28 o  127.037   6.9623  161.918   17.689      ?      ? 
1 1 1    3    2   29 o   48.479   10.797   23.837   11.678 1.300701 21.59380 
1 1 1    3    2   30 o  163.119   3.7530  266.938   12.241 -4.708298 7.506073 
1 1 1    3    2   31 o  141.211   4.1046  200.425   11.589 -1.107651 8.209267 
1 1 1    3    2   32 o   25.082   8.4731 -21.7222   11.932 -0.3776894 16.94624 
1 1 1    3    2   33 o  121.304   7.4688  147.876   18.120      ?      ? 
1 1 1    3    2   34 o  103.627   5.3949  108.632   11.172 0.7500763 10.78985 
1 1 1    3    2   35 o   22.566   7.7582 -26.0226   11.140 1.066456 15.51642 
1 1 1    3    2   36 o   31.401   9.4827  -1.3595   11.037 8.346226 18.96549 
1 1 1    3    2   37 o   25.817   8.4307 -26.7006   11.619 15.39137 16.86148 
1 1 1    3    2   38 o  135.442   4.6173  186.325   12.504 -2.220810 9.234512 
1 1 1    3    2   39 o   59.099   10.236   38.611   12.005 -3.047928 20.47134 
1 1 1    3    2   40 o   53.564   10.524   31.248   12.347 20.79527 21.04791 
1 1 1    3    2   41 o   90.088   6.6718   83.014   12.020 1.391167 13.34356 
1 1 1    3    3    2 f  187.346   1.8457  354.134   6.5654 5.380966 3.691312 
1 1 1    3    3    3 o  621.298   4.2587  3861.93   52.908 -7.506165 8.517423 
1 1 1    3    3    4 o  538.576   3.7033  2902.11   39.890 -0.7740479 7.406606 
1 1 1    3    3    5 o  581.582   3.9960  3384.21   46.480 1.690247 7.992076 
1 1 1    3    3    6 o  445.414   3.0994  1983.88   27.603 -6.507751 6.198891 
1 1 1    3    3    7 o  679.737   4.6673  4624.02   63.449 -2.892334 9.334533 
1 1 1    3    3    8 f  102.336   2.4820  104.745   5.0785 -3.266159 4.963925 
1 1 1    3    3    9 o  624.726   4.3051  3906.31   53.780 7.280701 8.610174 
1 1 1    3    3   10 o   71.973   3.6607   51.865   5.2681 0.6482468 7.321448 
1 1 1    3    3   11 f  121.178   2.4869  146.930   6.0266 1.124886 4.973735 
1 1 1    3    3   12 o  262.086   2.1876  687.190   11.467 0.9334717 4.375230 
1 1 1    3    3   13 o  157.100   2.3136  246.887   7.2688 2.305557 4.627184 
1 1 1    3    3   14 o  429.594   3.0884  1846.97   26.535 -0.2502747 6.176789 
1 1 1    3    3   15 o  248.820   2.3635  619.363   11.761 -1.391953 4.726963 
1 1 1    3    3   16 o  159.899   2.8216  255.441   9.0171 -6.753128 5.643150 
1 1 1    3    3   17 o  247.106   2.5342  610.139   12.516 7.267975 5.068467 
1 1 1    3    3   18 o  424.453   3.2026  1802.24   27.185 3.797424 6.405145 
1 1 1    3    3   19 o   81.570   8.6939   66.652   14.183      ?      ? 
1 1 1    3    3   20 o  304.917   2.8651  928.876   17.451 -7.940033 5.730119 
1 1 1    3    3   21 o  394.363   3.2101  1555.92   25.318 3.260315 6.420246 
1 1 1    3    3   22 o  401.323   4.6639  1611.44   37.434      ?      ? 
1 1 1    3    3   23 o  591.401   4.2562  3501.22   50.335 -6.725891 8.512449 
1 1 1    3    3   24 o  273.470   3.0742  748.342   16.814 0.8381042 6.148347 
1 1 1    3    3   25 o  127.842   4.9426  163.860   12.631 -2.574203 9.885117 
1 1 1    3    3   26 o  104.522   5.9509  109.747   12.429 -2.436447 11.90180 
1 1 1    3    3   27 o  237.279   3.1448  563.672   14.924 2.089569 6.289584 
1 1 1    3    3   28 o  259.905   3.0745  674.899   15.963 14.17487 6.148922 
1 1 1    3    3   29 o  159.436   3.9088  254.941   12.457 0.3645782 7.817504 
1 1 1    3    3   30 f   98.169   5.8605   97.216   11.492 -5.572708 11.72108 
1 1 1    3    3   31 o   39.662   10.015   11.461   11.049 -16.40173 20.03079 
1 1 1    3    3   32 o  162.299   5.8279  265.294   18.917      ?      ? 
1 1 1    3    3   33 o  110.046   5.8849  121.968   12.888 14.98892 11.76980 
1 1 1    3    3   34 o   79.875   7.0698   65.877   11.040 20.42761 14.13950 
1 1 1    3    3   37 f   31.931   9.5383  -5.8670   11.787 15.63885 19.07657 
1 1 1    3    3   38 o   49.667   10.918   26.912   11.987 -1.548637 21.83665 
1 1 1    3    3   39 o   86.377   7.0742   77.018   12.186 -2.867683 14.14842 
1 1 1    3    3   40 o  100.276   6.1483  102.981   12.324 -0.5378723E-01 12.29661 
1 1 1    3    3   41 o   79.530   7.4582   65.046   11.861 1.489532 14.91645 
1 1 1    3    4    1 o  765.737   10.486  5876.24  160.591      ?      ? 
1 1 1    3    4    2 o  461.910   4.5017  2135.09   41.586 -3.296967 9.003493 
1 1 1    3    4    3 o  282.784   2.5013  803.013   13.357 3.437439 5.002613 
1 1 1    3    4    4 o  279.597   2.8703  781.857   16.051      ?      ? 
1 1 1    3    4    5 o  286.569   2.1036  817.359   12.015 -15.99759 4.207219 
1 1 1    3    4    6 o  643.637   4.4207  4145.46   56.906 -2.502014 8.841437 
1 1 1    3    4    7 o  272.657   2.0788  743.248   11.332 -4.407410 4.157514 
1 1 1    3    4    8 f  136.431   2.0426  185.551   5.5635 -10.59036 4.085219 
1 1 1    3    4    9 o  240.623   2.0117  578.720   9.6771 6.263763 4.023357 
1 1 1    3    4   10 o  190.605   1.9463  363.412   7.4190 2.842056 3.892598 
1 1 1    3    4   11 o  238.738   2.0806  570.159   9.9336 -0.7702637 4.161123 
1 1 1    3    4   12 o  109.483   2.8907  119.891   6.3279 -2.846970 5.781464 
1 1 1    3    4   13 o  553.102   3.8594  3063.06   42.691 3.811279 7.718843 
1 1 1    3    4   14 f  104.812   3.4519  109.700   7.2243 -8.344826 6.903860 
1 1 1    3    4   15 o  387.391   2.8922  1501.11   22.404 5.618164 5.784451 
1 1 1    3    4   16 o  521.059   3.6980  2717.04   38.537 2.386047 7.396085 
1 1 1    3    4   17 o   41.554   9.4613   16.631   9.0240 6.464169 18.92255 
1 1 1    3    4   18 o  357.889   2.8889  1281.32   20.678 0.1748047 5.777873 
1 1 1    3    4   19 o  532.508   3.8224  2837.28   40.705 -4.041199 7.644745 
1 1 1    3    4   20 o  290.422   2.8352  843.805   16.467 -0.7303467 5.670382 
1 1 1    3    4   21 o  307.882   4.2475  948.345   26.154      ?      ? 
1 1 1    3    4   23 o  248.494   3.1647  617.877   15.726 -6.081970 6.329342 
1 1 1    3    4   24 o  179.270   3.7456  321.727   13.428 2.416763 7.491200 
1 1 1    3    4   25 o  306.290   3.0339  938.862   18.584 3.184631 6.067779 
1 1 1    3    4   26 o  126.580   5.0446  160.626   12.763 6.245125 10.08919 
1 1 1    3    4   27 o  118.161   5.3155  140.139   12.559 -1.866684 10.63099 
1 1 1    3    4   28 o  170.812   3.8630  292.296   13.193 3.837570 7.725943 
1 1 1    3    4   29 o   52.469   10.324   28.953   11.538 -13.30997 20.64860 
1 1 1    3    4   30 o  237.858   3.0261  567.063   14.394 -2.463516 6.052208 
1 1 1    3    4   31 o   87.553   6.5030   77.917   11.335 -5.023605 13.00592 
1 1 1    3    4   34 o   52.255   9.9062   29.055   11.344 -23.31505 19.81240 
1 1 1    3    4   35 o   20.390   7.1742 -41.1395   11.544 1.893112 14.34833 
1 1 1    3    4   36 o   73.583   7.9692   57.029   11.305 15.44528 15.93837 
1 1 1    3    4   37 o  109.308   7.8495  121.100   17.160      ?      ? 
1 1 1    3    4   38 o   36.804   10.498   7.8509   11.906 0.3134422 20.99603 
1 1 1    3    4   39 o  129.169   4.9336  168.548   12.714 12.00804 9.867234 
1 1 1    3    4   40 o   44.084   10.618   18.502   12.027 -15.37920 21.23540 
1 1 1    3    4   41 o   98.318   6.0967   98.725   11.940 10.45846 12.19330 
1 1 1    3    5    1 o  554.534   7.6193  3078.28   84.504      ?      ? 
1 1 1    3    5    2 o  709.247   6.8745  5036.89   97.488 -10.03809 13.74909 
1 1 1    3    5    3 o  541.626   4.5700  2927.37   46.454 -4.289185 9.140095 
1 1 1    3    5    4 o  338.656   2.3960  1146.90   16.226 3.534607 4.792023 
1 1 1    3    5    5 o  510.562   3.5242  2607.21   35.980 -6.240631 7.048450 
1 1 1    3    5    6 o  312.374   2.2704  975.765   14.182 -4.011749 4.540767 
1 1 1    3    5    7 o  224.415   1.8744  503.619   8.4117 -2.371506 3.748750 
1 1 1    3    5    8 o  683.949   4.7039  4683.79   64.338 5.655762 9.407817 
1 1 1    3    5    9 f  447.094   3.1391  2000.44   28.070 1.289124 6.278286 
1 1 1    3    5   10 o  121.991   2.3693  148.985   5.7740 7.092194 4.738665 
1 1 1    3    5   11 f  269.078   2.1682  724.330   11.668 -0.7863770 4.336489 
1 1 1    3    5   12 f  266.105   2.2033  707.209   11.714 -9.672577 4.406601 
1 1 1    3    5   13 f  246.302   2.2192  606.967   10.931 2.060913 4.438426 
1 1 1    3    5   14 o  277.021   2.3659  767.603   13.104 -1.814575 4.731717 
1 1 1    3    5   15 o  266.697   3.4004  711.533   18.137      ?      ? 
1 1 1    3    5   16 o  266.725   2.4921  711.463   13.292 -4.250732 4.984168 
1 1 1    3    5   17 o  287.063   2.6021  823.478   14.931 8.700134 5.204236 
1 1 1    3    5   18 o  174.154   3.1538  303.370   10.983 4.801331 6.307684 
1 1 1    3    5   19 o  243.928   2.7687  595.169   13.506 -2.512711 5.537314 
1 1 1    3    5   20 o  652.050   4.5925  4256.00   59.890 1.628845 9.185028 
1 1 1    3    5   21 o  437.022   3.4149  1911.01   29.847 0.2851868 6.829765 
1 1 1    3    5   22 o  251.306   4.6015  631.916   23.128      ?      ? 
1 1 1    3    5   23 o  257.094   4.3256  661.366   22.242      ?      ? 
1 1 1    3    5   24 o  161.149   4.0747  261.093   13.066 -8.186874 8.149320 
1 1 1    3    5   25 o  244.814   3.1525  600.224   15.423 -3.848755 6.304973 
1 1 1    3    5   26 o  237.967   3.1862  567.115   15.153 -2.108017 6.372308 
1 1 1    3    5   27 o   48.260   11.031   22.447   12.311 9.470242 22.06285 
1 1 1    3    5   28 o   82.402   7.3756   68.548   12.147 -0.3197479E-01 14.75113 
1 1 1    3    5   29 o  112.535   5.2495  127.593   11.785 -8.107956 10.49900 
1 1 1    3    5   30 f   35.369   10.190   5.2845   11.356 -0.1184998 20.37907 
1 1 1    3    5   31 o  108.876   5.3149  120.131   11.507 -11.83723 10.62978 
1 1 1    3    5   34 o   50.692   10.689   27.376   11.668 -2.592594 21.37843 
1 1 1    3    5   35 o  119.826   7.6601  144.384   18.358      ?      ? 
1 1 1    3    5   36 o  151.891   4.0716  232.868   12.365 -0.5011139 8.143173 
1 1 1    3    5   37 o  109.843   5.6405  122.006   12.259 21.72095 11.28105 
1 1 1    3    5   38 o   36.242   10.168   5.0325   11.972 -13.25618 20.33678 
1 1 1    3    5   39 o   79.566   8.0580   66.245   12.254 22.65559 16.11605 
1 1 1    3    5   40 o   53.866   10.315   32.387   12.024 -19.82297 20.62980 
1 1 1    3    5   41 o  109.961   5.5099  122.841   12.115 3.062119 11.01972 
1 1 1    3    6    0 o  512.553   7.0488  2629.33   72.257      ?      ? 
1 1 1    3    6    1 o  556.702   7.6517  3102.25   85.195      ?      ? 
1 1 1    3    6    2 o  307.196   3.0999  943.896   19.044 2.963043 6.199827 
1 1 1    3    6    3 o  450.450   3.8433  2003.40   32.030 -15.30328 7.686599 
1 1 1    3    6    4 o  793.649   5.4391  6305.39   86.331 -4.130920 10.87815 
1 1 1    3    6    5 o  650.497   4.4672  4234.75   58.116 3.621521 8.934446 
1 1 1    3    6    6 o  350.296   2.4993  1224.78   17.482 12.75403 4.998605 
1 1 1    3    6    7 o  311.026   2.2890  966.802   14.230 7.598572 4.578059 
1 1 1    3    6    8 f  201.900   1.8701  407.712   7.5511 1.596527 3.740170 
1 1 1    3    6    9 o  497.599   3.4660  2478.55   34.493 -1.214905 6.931944 
1 1 1    3    6   10 o  141.352   2.1895  199.807   6.1885 -2.740265 4.379092 
1 1 1    3    6   11 o  193.594   2.0550  374.931   7.9561 3.241913 4.110022 
1 1 1    3    6   12 o  667.121   4.6105  4458.96   61.515 1.013184 9.220965 
1 1 1    3    6   13 o  187.372   2.2569  351.411   8.4488 10.44737 4.513855 
1 1 1    3    6   14 o  392.151   2.8962  1538.49   22.713 5.026947 5.792321 
1 1 1    3    6   15 o  263.731   2.4291  695.575   12.810 -3.866730 4.858159 
1 1 1    3    6   16 o  491.167   3.5171  2413.94   34.549 2.202423 7.034208 
1 1 1    3    6   17 o  301.098   2.6503  906.933   15.959 1.232544 5.300647 
1 1 1    3    6   18 o  745.266   5.1724  5560.55   77.092 -4.594116 10.34484 
1 1 1    3    6   19 o  261.380   2.7374  683.365   14.309 -2.148346 5.474756 
1 1 1    3    6   20 o  188.361   4.6018  354.982   17.336      ?      ? 
1 1 1    3    6   21 o  255.920   3.1353  655.237   16.046 0.7866516 6.270579 
1 1 1    3    6   22 o  433.303   3.3932  1878.83   29.402 1.240601 6.786477 
1 1 1    3    6   23 o  186.382   3.6190  348.913   13.441 -11.78822 7.237915 
1 1 1    3    6   24 o  361.160   3.1201  1305.39   22.533 0.3380432 6.240225 
1 1 1    3    6   25 o  162.907   4.0810  266.062   13.273 -2.710968 8.162087 
1 1 1    3    6   26 o   79.005   7.9224   63.723   12.348 -10.04984 15.84482 
1 1 1    3    6   27 o  247.709   3.1068  614.054   15.360 1.687668 6.213629 
1 1 1    3    6   28 o   35.051   10.289   3.3788   11.821 1.250141 20.57783 
1 1 1    3    6   29 o  324.180   2.9781  1052.09   19.283 4.169983 5.956102 
1 1 1    3    6   30 o   23.643   8.0239 -23.3685   11.189 -1.970165 16.04786 
1 1 1    3    6   31 o  168.931   3.5889  285.961   12.088 3.903641 7.177759 
1 1 1    3    6   32 o  278.280   4.1651  775.269   23.181      ?      ? 
1 1 1    3    6   34 o   33.730   9.9998   2.9598   11.378 -1.005047 19.99957 
1 1 1    3    6   36 o  139.814   4.4659  197.767   12.487 2.551086 8.931760 
1 1 1    3    6   37 o   89.689   6.8565   81.854   12.287 5.186409 13.71293 
1 1 1    3    6   38 o   30.027   9.5117  -7.2428   12.052 -5.318024 19.02335 
1 1 1    3    6   39 o   38.478   10.575   10.532   12.022 -7.296814 21.14978 
1 1 1    3    6   40 o   65.829   9.3327   47.565   11.980 -17.63541 18.66531 
1 1 1    3    6   41 o   39.181   10.606   11.922   11.745 4.709641 21.21133 
1 1 1    3    7    0 o  248.826   3.5771  619.291   17.801      ?      ? 
1 1 1    3    7    1 o  396.006   5.5125  1569.10   43.660      ?      ? 
1 1 1    3    7    2 o  388.985   3.8405  1513.61   29.873 4.865051 7.681012 
1 1 1    3    7    3 o  470.476   3.9838  2223.78   35.525 6.043121 7.967627 
1 1 1    3    7    4 o  445.609   3.7785  2006.47   32.198 15.45490 7.556932 
1 1 1    3    7    5 o  325.109   2.3299  1057.27   15.149 0.5725098E-01 4.659701 
1 1 1    3    7    6 o  542.802   3.7503  2946.98   40.691 10.75134 7.500521 
1 1 1    3    7    7 o  406.447   2.8653  1652.95   23.291 2.155701 5.730542 
1 1 1    3    7    8 o  297.446   2.2374  884.879   13.307 -3.827789 4.474769 
1 1 1    3    7    9 o   80.344   3.2401   64.497   5.1856 -9.987991 6.480179 
1 1 1    3    7   10 o  227.411   2.0232  517.289   9.2005 5.424652 4.046354 
1 1 1    3    7   11 o  386.694   2.7985  1496.30   21.643 3.231506 5.597055 
1 1 1    3    7   12 o  240.886   2.1770  580.520   10.488 3.026459 4.354018 
1 1 1    3    7   13 o  172.196   2.3551  296.663   8.1060 0.4338531 4.710199 
1 1 1    3    7   15 o  241.412   2.4191  582.965   11.680 2.357513 4.838269 
1 1 1    3    7   16 o  385.160   2.9362  1483.97   22.616 -3.156342 5.872426 
1 1 1    3    7   17 o  371.470   2.9253  1380.17   21.728 -3.124390 5.850587 
1 1 1    3    7   18 o  396.828   3.0546  1575.40   24.243 -1.234619 6.109248 
1 1 1    3    7   19 o   42.724   10.204   16.505   10.497 -8.716450 20.40763 
1 1 1    3    7   20 o  667.020   4.6981  4453.84   62.672 4.677429 9.396297 
1 1 1    3    7   21 o  386.861   4.4640  1497.33   34.539      ?      ? 
1 1 1    3    7   22 o  289.578   2.9787  837.513   17.235 -14.12881 5.957318 
1 1 1    3    7   23 o   65.724   13.832   45.132   17.610      ?      ? 
1 1 1    3    7   24 o   63.044   9.9615   41.705   12.259 -3.585457 19.92302 
1 1 1    3    7   25 o  219.907   3.2598  484.232   14.334 -3.428467 6.519587 
1 1 1    3    7   26 o  221.212   3.2508  490.131   14.374 -2.158066 6.501663 
1 1 1    3    7   27 o  212.233   4.5972  451.073   19.513      ?      ? 
1 1 1    3    7   28 o   90.882   6.8052   86.092   11.947 -22.56522 13.61039 
1 1 1    3    7   29 o  182.624   3.4791  334.462   12.664 -0.3890991 6.958275 
1 1 1    3    7   30 o  132.447   4.3912  174.592   11.572 15.19318 8.782349 
1 1 1    3    7   31 o   88.305   6.4935   78.599   11.387 5.114998 12.98694 
1 1 1    3    7   33 o  209.444   3.1255  438.936   12.996 5.142822 6.250952 
1 1 1    3    7   34 o   21.826   7.5467 -29.0615   11.133 -2.728502 15.09341 
1 1 1    3    7   35 f  121.348   4.9920  148.474   12.108 5.224434 9.983923 
1 1 1    3    7   36 o   51.123   10.804   28.190   11.983 9.131142 21.60794 
1 1 1    3    7   37 o   38.774   10.292   9.8618   11.915 -14.78022 20.58353 
1 1 1    3    7   38 o   57.499   10.267   36.067   11.892 12.58852 20.53318 
1 1 1    3    7   39 o   47.869   10.940   24.721   11.939 -1.548927 21.87911 
1 1 1    3    7   40 o   34.673   10.218   4.3318   11.761 1.793083 20.43513 
1 1 1    3    7   41 o   52.149   10.569   30.095   11.651 -7.868336 21.13774 
1 1 1    3    8    0 o  962.285   9.3599  9296.18  180.103 -13.74548 18.71978 
1 1 1    3    8    1 o  596.973   5.8201  3539.83   69.045 -41.99268 11.64023 
1 1 1    3    8    2 f  189.637   2.3355  358.559   8.8212 -6.373337 4.670994 
1 1 1    3    8    3 o  196.483   2.0952  389.854   7.5542 4.814880 4.190362 
1 1 1    3    8    4 o  338.248   2.9700  1148.11   18.916 3.030457 5.940030 
1 1 1    3    8    5 o  443.817   3.0915  1970.51   27.436 5.851990 6.183084 
1 1 1    3    8    6 o  216.940   1.8225  470.765   7.9072 0.5456696 3.645093 
1 1 1    3    8    7 o   68.781   3.3334   47.412   4.5757 1.490234 6.666791 
1 1 1    3    8    8 o  164.144   1.9047  269.178   6.2474 -4.761887 3.809392 
1 1 1    3    8    9 o   84.070   3.1208   70.698   5.2457 -2.496101 6.241545 
1 1 1    3    8   10 o   41.982   6.7319   18.402   5.5186 -0.2532578E-01 13.46370 
1 1 1    3    8   11 o  188.868   2.1392  356.851   8.0805 -0.7474976 4.278395 
1 1 1    3    8   12 o  290.949   2.3465  846.839   13.654 2.385925 4.692918 
1 1 1    3    8   13 o  295.738   2.4177  874.939   14.299 -0.3890381 4.835353 
1 1 1    3    8   14 o  341.044   2.6447  1163.43   18.038 3.118103 5.289458 
1 1 1    3    8   15 o  385.424   2.9044  1486.09   22.388 -1.841827 5.808885 
1 1 1    3    8   16 o  314.165   2.6495  986.670   16.639 -6.156921 5.299075 
1 1 1    3    8   17 o  559.443   3.9751  3129.65   44.451 11.70837 7.950156 
1 1 1    3    8   18 o  392.777   3.0594  1543.45   24.032 -0.8721924E-01 6.118852 
1 1 1    3    8   19 o  340.128   2.9340  1156.60   19.951 12.83868 5.867921 
1 1 1    3    8   20 o  236.680   4.4129  560.449   20.889      ?      ? 
1 1 1    3    8   21 o  306.329   3.0062  937.985   18.409 -9.975830 6.012373 
1 1 1    3    8   23 o   35.923   10.455   3.9655   12.105 -0.2143555 20.90993 
1 1 1    3    8   24 f  190.689   3.5110  363.704   13.377 3.618317 7.022035 
1 1 1    3    8   25 o  127.184   4.9185  162.635   12.458 -4.312660 9.836936 
1 1 1    3    8   26 o  207.327   3.4043  429.948   14.095 4.161148 6.808680 
1 1 1    3    8   27 o  214.737   3.3010  462.237   14.159 -3.195740 6.602036 
1 1 1    3    8   28 o  180.276   3.5035  325.518   12.627 6.584183 7.006932 
1 1 1    3    8   29 o   98.595   5.7545   97.969   11.338 -0.3223419E-01 11.50907 
1 1 1    3    8   30 o   98.035   5.8566   98.231   11.337 -10.57112 11.71325 
1 1 1    3    8   33 o  145.306   4.0335  210.870   11.666 11.80841 8.067057 
1 1 1    3    8   35 o   92.197   6.1452   86.659   11.318 3.153145 12.29031 
1 1 1    3    8   36 o   76.893   7.7267   61.520   11.723 -5.107384 15.45337 
1 1 1    3    8   37 o   88.960   6.7238   82.204   11.826 -4.029549 13.44760 
1 1 1    3    8   38 o   88.209   6.8947   79.443   12.040 4.583893 13.78932 
1 1 1    3    8   39 o   58.959   9.8125   40.040   12.115 -26.19384 19.62508 
1 1 1    3    8   40 o   60.382   9.9852   39.614   11.814 3.859631 19.97032 
1 1 1    3    8   41 o   74.329   11.197   71.359   16.708 -34.31779 22.39398 
1 1 1    3    9    0 f  353.640   3.5157  1249.36   24.824 -10.48535 7.031355 
1 1 1    3    9    1 o  308.428   3.1150  951.591   19.201 -2.571472 6.229916 
1 1 1    3    9    2 o  220.438   2.5135  485.133   11.069 13.45932 5.027098 
1 1 1    3    9    3 o  450.901   3.8625  2022.05   32.483 -7.933502 7.725053 
1 1 1    3    9    4 o  266.367   2.5010  708.103   12.319 -1.683838 5.001902 
1 1 1    3    9    5 o  342.082   2.4416  1170.61   16.702 -3.030426 4.883133 
1 1 1    3    9    6 o  271.025   2.0523  734.804   11.124 -0.4158630 4.104690 
1 1 1    3    9    7 o  118.902   2.0678  141.455   4.9159 0.8258362 4.135674 
1 1 1    3    9    8 o  286.014   2.1835  818.345   12.490 -1.810455 4.367049 
1 1 1    3    9    9 o  189.766   1.9498  360.051   7.3963 8.829895 3.899684 
1 1 1    3    9   10 o  146.092   2.2234  213.685   6.4912 4.543549 4.446704 
1 1 1    3    9   11 f  230.568   2.1295  531.572   9.8162 -3.490234 4.259005 
1 1 1    3    9   12 o  146.246   2.5619  213.803   7.4844 -10.10007 5.123837 
1 1 1    3    9   13 o  513.960   3.6260  2643.55   37.272 1.567017 7.251925 
1 1 1    3    9   14 o  314.312   2.5517  987.900   16.037 5.106598 5.103488 
1 1 1    3    9   15 o  628.710   4.3918  3956.05   55.218 5.379700 8.783504 
1 1 1    3    9   16 o  657.846   4.5921  4331.54   60.417 -2.382507 9.184258 
1 1 1    3    9   17 o  292.798   2.6859  857.640   15.728 2.001892 5.371728 
1 1 1    3    9   18 o  230.012   2.8369  530.195   13.023 7.631836 5.673894 
1 1 1    3    9   19 o  360.694   4.3018  1301.61   31.033      ?      ? 
1 1 1    3    9   20 o  408.546   4.5654  1669.93   37.304      ?      ? 
1 1 1    3    9   22 o  261.837   3.0041  685.996   15.732 -0.1697388 6.008271 
1 1 1    3    9   23 o  135.097   4.6216  183.009   12.469 -2.622574 9.243267 
1 1 1    3    9   24 f  239.408   3.1482  573.842   15.054 -0.8975677 6.296449 
1 1 1    3    9   25 f  269.106   3.0292  724.443   16.275 3.171448 6.058444 
1 1 1    3    9   26 o  108.018   5.7926  115.979   12.399 20.74474 11.58517 
1 1 1    3    9   27 o  300.615   2.9813  905.216   17.909 0.2834473 5.962570 
1 1 1    3    9   28 o  140.746   4.1613  198.202   11.696 9.821899 8.322605 
1 1 1    3    9   29 o   37.551   10.205   9.5528   10.972 -5.406647 20.40948 
1 1 1    3    9   30 o   45.834   10.125   21.396   10.860 -13.75243 20.24920 
1 1 1    3    9   32 o   25.626   8.3610 -15.9957   10.785 -8.860025 16.72191 
1 1 1    3    9   33 o   82.045   6.9717   68.596   11.414 0.9991989 13.94348 
1 1 1    3    9   34 o   94.396   6.1713   90.663   11.446 21.12222 12.34270 
1 1 1    3    9   35 o  140.380   4.1191  198.419   11.549 9.783813 8.238277 
1 1 1    3    9   36 o   76.663   7.7631   60.820   11.461 18.34042 15.52624 
1 1 1    3    9   37 o   39.744   10.290   11.405   11.758 -16.24958 20.57978 
1 1 1    3    9   38 o   69.848   8.8559   51.744   12.040 -0.1855316 17.71175 
1 1 1    3    9   39 o   64.113   9.6220   44.266   11.936 11.26559 19.24408 
1 1 1    3    9   40 o  106.774   5.7062  114.137   12.048 22.45098 11.41232 
1 1 1    3   10    0 o  205.696   2.3530  419.127   9.6306 26.08817 4.705931 
1 1 1    3   10    1 o  475.931   4.6771  2266.80   44.486 -12.49387 9.354256 
1 1 1    3   10    2 o  191.329   3.5142  366.259   13.447      ?      ? 
1 1 1    3   10    3 o  217.991   3.8010  475.496   16.572      ?      ? 
1 1 1    3   10    4 o  441.741   3.7901  1952.32   31.501 -0.8158875 7.580221 
1 1 1    3   10    5 o  145.914   2.4247  223.478   6.0791 14.49852 4.849429 
1 1 1    3   10    6 o  248.283   1.9405  614.707   9.6175 12.60345 3.880914 
1 1 1    3   10    7 o  126.411   1.9962  159.869   5.0463 -1.705162 3.992363 
1 1 1    3   10    8 o  181.447   1.9022  329.215   6.9014 5.503036 3.804444 
1 1 1    3   10    9 o  210.508   1.9934  443.288   8.3924 0.2319336 3.986748 
1 1 1    3   10   10 o  462.259   3.2610  2138.59   30.148 -0.2801819 6.521977 
1 1 1    3   10   11 o  166.826   2.2854  278.596   7.6196 6.370270 4.570728 
1 1 1    3   10   12 o   33.754   8.0299   9.6995   6.8806 12.28100 16.05973 
1 1 1    3   10   13 o  439.480   3.1746  1932.43   27.903 2.005951 6.349107 
1 1 1    3   10   14 o  257.629   2.4358  663.865   12.549 1.667999 4.871540 
1 1 1    3   10   15 f  345.799   2.7628  1195.39   19.099 -7.392609 5.525609 
1 1 1    3   10   16 o  550.831   3.9151  3036.31   43.131 0.4422607 7.830147 
1 1 1    3   10   17 o  224.503   2.7525  504.348   12.349 1.685455 5.505000 
1 1 1    3   10   18 o  497.529   5.1865  2476.98   51.609      ?      ? 
1 1 1    3   10   19 o  104.475   8.3002  109.336   17.343      ?      ? 
1 1 1    3   10   20 o  236.893   4.3656  561.502   20.684      ?      ? 
1 1 1    3   10   21 o  346.389   4.2976  1200.56   29.773      ?      ? 
1 1 1    3   10   22 o  180.081   3.6445  324.050   13.114 8.137100 7.289011 
1 1 1    3   10   23 o  389.099   3.1778  1515.28   24.728 -5.104828 6.355562 
1 1 1    3   10   24 o  247.791   3.0606  614.638   15.159 0.7827759E-02 6.121126 
1 1 1    3   10   25 o  297.196   2.9904  884.065   17.756 1.164948 5.980772 
1 1 1    3   10   26 o  145.677   4.3275  214.786   12.477 -12.47362 8.655078 
1 1 1    3   10   27 o   55.257   10.162   32.625   11.410 -8.260452 20.32351 
1 1 1    3   10   28 o  160.428   3.7048  258.604   11.864 -5.640961 7.409641 
1 1 1    3   10   29 o   98.058   5.5577   96.949   10.851 0.7065887 11.11535 
1 1 1    3   10   30 f   75.169   7.3306   56.887   10.929 13.46098 14.66110 
1 1 1    3   10   32 o  149.728   3.8797  225.836   11.580 -3.243958 7.759442 
1 1 1    3   10   33 o   27.852   8.9908  -8.7503   11.152 -0.4526272 17.98168 
1 1 1    3   10   34 o   99.136   8.1445   99.049   16.148      ?      ? 
1 1 1    3   10   35 f   89.081   6.3020   81.139   11.188 1.655846 12.60406 
1 1 1    3   10   36 o   86.393   6.6740   75.810   11.511 6.638313 13.34791 
1 1 1    3   10   37 o   40.354   10.684   13.619   11.693 5.174690 21.36889 
1 1 1    3   10   38 o   32.333   9.9117  -0.4987   11.874 -1.257690 19.82343 
1 1 1    3   10   39 o   44.319   10.768   19.098   11.678 10.32507 21.53679 
1 1 1    3   10   40 f   91.017   6.5906   85.505   11.899 -9.371628 13.18116 
1 1 1    3   11    0 o  365.783   3.6410  1339.09   26.629 -5.303864 7.281911 
1 1 1    3   11    1 o  363.311   3.6257  1318.05   26.291 -14.06342 7.251335 
1 1 1    3   11    2 o  406.909   4.0519  1657.55   32.966 -6.691467 8.103708 
1 1 1    3   11    3 o  225.181   3.8213  507.406   17.210      ?      ? 
1 1 1    3   11    4 o  161.430   3.9228  260.784   12.665      ?      ? 
1 1 1    3   11    5 o  236.800   2.4031  571.068   10.606 12.08661 4.806165 
1 1 1    3   11    6 o  132.763   1.7734  174.827   4.6886 12.95121 3.546809 
1 1 1    3   11    7 o  505.667   3.5240  2559.55   35.637 -3.635986 7.047937 
1 1 1    3   11    8 o  418.470   2.9671  1752.03   24.829 -4.996582 5.934221 
1 1 1    3   11    9 o   97.428   2.8926   94.968   5.6334 -4.284004 5.785124 
1 1 1    3   11   10 o  123.817   3.6736  153.377   9.0972      ?      ? 
1 1 1    3   11   11 o  248.610   2.2202  618.152   11.038 3.452866 4.440358 
1 1 1    3   11   12 o  562.795   3.9408  3169.94   44.356 2.384338 7.881590 
1 1 1    3   11   13 o  414.077   3.0326  1715.25   25.113 3.780457 6.065111 
1 1 1    3   11   14 o  189.839   2.5984  360.469   9.8633 5.452225 5.196752 
1 1 1    3   11   15 o  385.449   2.9569  1484.15   22.775 13.54578 5.913762 
1 1 1    3   11   16 o  457.467   3.3714  2093.95   30.846 0.3380737 6.742878 
1 1 1    3   11   17 o  487.297   3.5732  2363.98   34.708 29.21027 7.146493 
1 1 1    3   11   18 o  116.793   6.8602  136.570   16.024      ?      ? 
1 1 1    3   11   19 o  551.464   3.9920  3042.65   44.021 7.916382 7.984068 
1 1 1    3   11   20 o   32.992   9.8882  -1.5247   11.617 8.609428 19.77644 
1 1 1    3   11   21 o  268.200   2.9991  718.855   16.072 7.440582 5.998146 
1 1 1    3   11   22 o   52.579   10.531   28.666   11.942 -13.75842 21.06163 
1 1 1    3   11   23 o   36.488   10.397   5.6995   11.807 -4.015915 20.79330 
1 1 1    3   11   24 f  100.776   5.9945  102.016   12.070 -0.5158386 11.98899 
1 1 1    3   11   25 o   76.715   10.730   59.270   16.464      ?      ? 
1 1 1    3   11   26 f  167.819   3.7437  283.911   12.488 -10.94727 7.487312 
1 1 1    3   11   27 o  229.801   3.0021  529.174   13.793 -6.717438 6.004281 
1 1 1    3   11   28 o  165.530   3.5645  274.831   11.794 0.5562897 7.128978 
1 1 1    3   11   29 o   98.769   5.4810   98.217   10.795 2.366272 10.96198 
1 1 1    3   11   31 o   24.955   11.897 -20.1291   16.293      ?      ? 
1 1 1    3   11   32 o   42.474   9.7912   14.424   10.751 23.32017 19.58242 
1 1 1    3   11   33 o   24.274   8.1892 -20.2858   11.157 -2.648233 16.37849 
1 1 1    3   11   34 o   29.787   9.2416  -4.8272   11.064 -7.362482 18.48313 
1 1 1    3   11   35 o   43.448   10.116   18.052   11.308 -18.14177 20.23259 
1 1 1    3   11   36 o  115.794   5.0707  136.403   11.706 1.670731 10.14138 
1 1 1    3   11   37 o   50.503   10.611   28.059   11.586 -6.012508 21.22244 
1 1 1    3   11   38 o   62.682   9.7354   43.459   11.809 -2.373158 19.47078 
1 1 1    3   11   39 o   98.173   6.1010   99.169   11.841 -5.422867 12.20197 
1 1 1    3   11   40 o   47.632   12.502   22.739   15.940 -2.335358 25.00319 
1 1 1    3   12    0 o  362.819   3.6293  1317.98   26.336 -0.3405762E-01 7.258574 
1 1 1    3   12    1 o  241.493   2.6229  583.411   12.640 -0.8975220 5.245707 
1 1 1    3   12    2 o  239.008   3.9010  571.645   18.647      ?      ? 
1 1 1    3   12    3 f  549.964   4.7206  2983.30   48.139 -22.22076 9.441131 
1 1 1    3   12    4 o  351.674   5.1128  1238.19   35.961      ?      ? 
1 1 1    3   12    5 o  123.359   2.8064  161.772   5.7239 14.11224 5.612726 
1 1 1    3   12    6 o  340.999   3.0705  1169.21   19.700 4.900513 6.140920 
1 1 1    3   12    7 o  157.821   1.8566  248.038   5.8363 7.317841 3.713149 
1 1 1    3   12    8 o  187.286   1.9333  350.458   7.2355 4.916916 3.866589 
1 1 1    3   12    9 o  363.799   2.6615  1322.67   19.351 9.955444 5.322968 
1 1 1    3   12   10 o  280.670   2.2767  787.968   12.780 -1.250397 4.553349 
1 1 1    3   12   11 o  136.269   2.6556  185.782   7.2368 1.681610 5.311169 
1 1 1    3   12   12 o  344.478   2.6415  1187.07   18.199 0.1107788 5.283098 
1 1 1    3   12   13 f  132.387   3.0761  175.437   8.1362 1.830948 6.152232 
1 1 1    3   12   14 o  381.734   2.9051  1457.19   22.172 -5.344360 5.810124 
1 1 1    3   12   15 o  417.270   3.1417  1741.99   26.218 0.6622314 6.283307 
1 1 1    3   12   16 f  455.284   3.3649  2073.85   30.639 3.905792 6.729887 
1 1 1    3   12   18 o  589.091   5.9450  3473.21   70.043      ?      ? 
1 1 1    3   12   19 o  135.722   4.4154  184.350   11.980 2.459015 8.830721 
1 1 1    3   12   20 o  371.991   3.0908  1384.58   22.992 0.6661987 6.181695 
1 1 1    3   12   21 o  250.959   4.3610  630.288   21.889      ?      ? 
1 1 1    3   12   22 o  212.421   3.2074  451.120   13.615 5.827957 6.414799 
1 1 1    3   12   23 o  324.767   2.9737  1055.88   19.310 -1.433746 5.947350 
1 1 1    3   12   24 o  207.837   4.7997  432.576   19.951      ?      ? 
1 1 1    3   12   25 o  302.366   2.9744  914.769   17.974 5.397034 5.948874 
1 1 1    3   12   26 o  116.336   4.9709  135.373   11.538 10.27795 9.941727 
1 1 1    3   12   27 o  170.069   3.4914  290.368   11.859 -5.137619 6.982703 
1 1 1    3   12   28 o   71.396   7.5984   51.753   10.822 1.274033 15.19678 
1 1 1    3   12   29 o   77.791   7.1440   62.627   10.912 -11.98118 14.28791 
1 1 1    3   12   31 o   29.389   9.0487  -4.1673   10.421 -8.014116 18.09737 
1 1 1    3   12   32 o  105.130   5.2969  113.008   11.023 -11.73041 10.59372 
1 1 1    3   12   34 o   84.361   6.7152   75.086   10.982 -16.09650 13.43039 
1 1 1    3   12   35 o  106.141   5.4404  112.922   11.479 8.872360 10.88087 
1 1 1    3   12   36 o   26.588   8.7747 -13.9304   11.390 2.897259 17.54932 
1 1 1    3   12   37 o  116.083   5.2063  136.844   11.996 0.7299957 10.41259 
1 1 1    3   12   38 o   95.652   6.3048   92.497   11.961 16.86641 12.60966 
1 1 1    3   12   39 o   89.138   6.7055   80.846   11.746 22.83018 13.41103 
1 1 1    3   13    0 o  181.586   2.3613  328.287   8.5160 30.14897 4.722673 
1 1 1    3   13    1 o  521.199   5.1801  2721.18   53.948 5.990967 10.36021 
1 1 1    3   13    2 o  351.106   5.0767  1234.07   35.649      ?      ? 
1 1 1    3   13    3 o  393.609   3.4599  1547.33   25.762 -2.564972 6.919816 
1 1 1    3   13    4 o  219.217   4.0026  480.863   17.549      ?      ? 
1 1 1    3   13    5 f  313.269   4.7455  982.194   29.733      ?      ? 
1 1 1    3   13    6 f  311.873   2.9003  977.694   16.991 4.281952 5.800548 
1 1 1    3   13    8 o  445.869   3.1603  1988.72   28.176 4.766022 6.320529 
1 1 1    3   13    9 o  217.886   2.0601  474.792   8.9768 3.895462 4.120272 
1 1 1    3   13   10 o  420.165   3.0232  1766.12   25.404 -2.268890 6.046488 
1 1 1    3   13   11 o  293.345   2.4075  860.625   14.123 3.500824 4.815026 
1 1 1    3   13   12 o  499.552   3.5448  2496.91   35.416 0.1944275 7.089551 
1 1 1    3   13   13 o  447.222   3.2544  1998.33   29.083 13.78104 6.508896 
1 1 1    3   13   14 o  258.539   2.4787  668.651   12.816 2.394104 4.957471 
1 1 1    3   13   15 o  504.360   3.6272  2544.16   36.574 -8.606537 7.254429 
1 1 1    3   13   17 o  542.885   5.5632  2949.43   60.404      ?      ? 
1 1 1    3   13   18 o  587.624   4.1975  3456.77   49.329 3.116211 8.394991 
1 1 1    3   13   19 o  413.505   3.2434  1710.96   26.823 -3.681915 6.486818 
1 1 1    3   13   20 o  266.652   2.9853  711.302   15.913 2.493469 5.970642 
1 1 1    3   13   21 o  376.480   3.0894  1418.60   23.258 -0.2511902 6.178760 
1 1 1    3   13   22 f  309.684   2.9147  960.019   18.048 -1.736633 5.829428 
1 1 1    3   13   23 o  311.547   2.9307  971.555   18.256 0.9742737 5.861439 
1 1 1    3   13   24 o  418.930   3.2940  1757.15   27.590 2.671204 6.587930 
1 1 1    3   13   25 o  337.659   2.9876  1142.07   20.167 0.5350342 5.975232 
1 1 1    3   13   26 o   99.338   5.5708   98.739   11.031 11.07938 11.14156 
1 1 1    3   13   27 o  101.861   5.3956  105.015   10.903 -4.459015 10.79127 
1 1 1    3   13   28 o   72.012   7.5351   52.630   10.777 0.8919907 15.07020 
1 1 1    3   13   31 o   68.786   7.7297   48.467   10.612 0.3880005 15.45934 
1 1 1    3   13   32 o   24.873   8.2372 -19.2387   10.930 -9.485245 16.47440 
1 1 1    3   13   33 o   19.933   7.0079 -37.4175   10.888 -0.1585712 14.01578 
1 1 1    3   13   34 o   46.072   10.578   22.280   11.097 1.752712 21.15545 
1 1 1    3   13   35 o   81.682   7.9114   74.381   11.652 -30.08488 15.82283 
1 1 1    3   13   36 o   45.097   10.839   20.852   11.705 -3.204288 21.67731 
1 1 1    3   13   37 o   40.703   10.676   12.737   11.933 13.77123 21.35258 
1 1 1    3   13   38 o   74.333   7.8915   57.402   11.673 1.060333 15.78294 
1 1 1    3   13   39 o   78.136   7.5446   63.024   11.787 1.747620 15.08918 
1 1 1    3   14    0 o  257.836   2.7967  665.520   14.411 4.327805 5.593445 
1 1 1    3   14    1 o  248.786   2.7701  620.024   13.758 5.679428 5.540162 
1 1 1    3   14    2 o  390.241   5.5858  1524.52   43.596      ?      ? 
1 1 1    3   14    3 o  372.543   3.7815  1388.97   28.167 -2.408173 7.563082 
1 1 1    3   14    4 o  179.458   2.8438  323.236   10.167 17.02953 5.687607 
1 1 1    3   14    5 o  337.892   5.0660  1142.60   34.235      ?      ? 
1 1 1    3   14    6 o  664.033   9.1909  4420.12  122.061      ?      ? 
1 1 1    3   14    7 o  688.053   5.8548  4722.37   75.713 -8.287354 11.70956 
1 1 1    3   14    8 o  656.343   4.5611  4310.94   59.854 9.702759 9.122133 
1 1 1    3   14    9 o  444.759   3.1670  1975.72   28.135 14.35077 6.334002 
1 1 1    3   14   10 o  368.928   2.7418  1361.38   20.229 3.964813 5.483568 
1 1 1    3   14   11 o  672.091   4.6642  4521.32   62.694 2.231689 9.328330 
1 1 1    3   14   12 f  159.316   3.7523  253.899   11.956      ?      ? 
1 1 1    3   14   13 f  221.917   2.4457  492.518   10.852 6.623322 4.891308 
1 1 1    3   14   14 o  653.463   4.5650  4273.23   59.647 -8.309631 9.130035 
1 1 1    3   14   15 o  252.185   3.8000  636.204   19.166      ?      ? 
1 1 1    3   14   17 o  147.752   5.5996  218.520   16.547      ?      ? 
1 1 1    3   14   18 o   84.695   9.1764   71.925   15.544      ?      ? 
1 1 1    3   14   20 o   87.598   6.5783   78.200   11.325 -16.89651 13.15669 
1 1 1    3   14   21 o  151.128   3.9046  228.286   11.787 6.026871 7.809239 
1 1 1    3   14   22 o  379.170   3.0951  1439.25   23.468 1.123077 6.190149 
1 1 1    3   14   23 o  262.106   2.9659  688.012   15.540 -4.403717 5.931853 
1 1 1    3   14   24 o  119.612   4.9068  142.671   11.674 17.63561 9.813555 
1 1 1    3   14   25 o   57.334   9.6404   34.943   10.889 -4.086285 19.28070 
1 1 1    3   14   26 o  295.870   2.8341  876.242   16.748 4.733704 5.668202 
1 1 1    3   14   27 o   40.765   10.179   14.824   10.664 -8.528240 20.35765 
1 1 1    3   14   28 o  180.155   3.4025  325.952   12.180 -0.3023682 6.804930 
1 1 1    3   14   30 f  186.097   3.3592  347.217   12.444 4.017990 6.718476 
1 1 1    3   14   31 o  144.331   4.0538  209.148   11.674 6.255417 8.107610 
1 1 1    3   14   32 o  235.235   4.2596  554.272   20.040      ?      ? 
1 1 1    3   14   33 f  179.976   3.3504  326.829   12.013 -6.730133 6.700791 
1 1 1    3   14   34 f  106.132   5.4477  114.282   11.484 -1.922981 10.89531 
1 1 1    3   14   35 o   37.505   10.532   9.3430   11.832 -1.347397 21.06378 
1 1 1    3   14   36 o   70.035   8.8030   51.473   12.031 8.184196 17.60593 
1 1 1    3   14   37 o   60.867   9.9983   41.708   11.917 -9.770752 19.99666 
1 1 1    3   14   38 o   64.920   9.0566   44.264   11.486 22.16558 18.11324 
1 1 1    3   14   39 f   74.203   10.204   66.460   13.508 -10.85097 20.40726 
1 1 1    3   15    0 o  308.258   3.2122  950.765   19.799 -0.4336243 6.424375 
1 1 1    3   15    1 o  209.710   2.5996  441.145   10.758 3.605820 5.199197 
1 1 1    3   15    2 f  399.256   5.7216  1595.54   45.688      ?      ? 
1 1 1    3   15    3 o  266.937   3.0279  712.395   16.153 14.83768 6.055891 
1 1 1    3   15    4 o  409.748   4.1242  1680.09   33.787 -3.664307 8.248350 
1 1 1    3   15    5 o  144.395   3.2447  209.113   9.2746 2.500565 6.489465 
1 1 1    3   15    6 o  160.570   4.8629  257.985   15.617      ?      ? 
1 1 1    3   15    7 f  244.140   2.7062  603.314   12.171 7.569092 5.412434 
1 1 1    3   15    8 o  314.024   2.3947  985.390   15.030 -8.357880 4.789428 
1 1 1    3   15    9 f  603.767   4.2161  3646.37   50.891 10.29382 8.432249 
1 1 1    3   15   10 o  370.019   2.7427  1369.55   20.297 -1.971375 5.485473 
1 1 1    3   15   11 o  571.518   4.0021  3268.58   45.742 -3.817444 8.004251 
1 1 1    3   15   12 o  502.934   3.5773  2529.62   35.969 9.422058 7.154676 
1 1 1    3   15   14 o  719.664   5.0096  5181.00   72.053 16.75916 10.01923 
1 1 1    3   15   16 o   58.527   13.014   35.805   14.834      ?      ? 
1 1 1    3   15   18 o  424.759   3.2572  1805.25   27.667 4.622040 6.514379 
1 1 1    3   15   19 o  327.122   2.8896  1070.87   18.903 -0.4358521 5.779285 
1 1 1    3   15   20 o  375.601   3.0654  1411.95   23.023 1.523926 6.130779 
1 1 1    3   15   21 o  110.981   5.1396  123.125   11.384 5.743195 10.27912 
1 1 1    3   15   22 o  290.973   2.9104  847.339   16.920 1.423340 5.820895 
1 1 1    3   15   23 o  166.150   3.7252  275.377   12.351 13.60971 7.450407 
1 1 1    3   15   24 o  380.338   3.0885  1448.35   23.486 -10.59445 6.177070 
1 1 1    3   15   25 o   96.382   5.5154   93.268   10.614 4.122955 11.03073 
1 1 1    3   15   26 o   47.556   10.195   23.381   10.488 1.884487 20.39086 
1 1 1    3   15   27 o  302.049   2.8421  913.515   17.139 5.379639 5.684270 
1 1 1    3   15   28 o  187.553   5.2105  352.805   19.545      ?      ? 
1 1 1    3   15   29 o   61.224   9.5357   37.875   11.801 29.60145 19.07143 
1 1 1    3   15   30 o  163.476   3.6972  265.953   12.002 13.92732 7.394322 
1 1 1    3   15   31 o  160.746   3.8406  259.750   12.320 12.64369 7.681272 
1 1 1    3   15   33 o   52.690   10.213   29.900   11.030 8.317253 20.42599 
1 1 1    3   15   34 o  178.799   3.6138  321.701   12.825 0.5480957 7.227543 
1 1 1    3   15   35 o  166.979   3.8306  280.369   12.749 5.906387 7.661215 
1 1 1    3   15   36 o   90.242   6.7631   83.665   12.116 1.961609 13.52619 
1 1 1    3   15   37 f   41.398   10.988   14.809   12.855 -9.047153 21.97523 
1 1 1    3   15   38 o  109.740   5.5441  121.814   12.064 3.807564 11.08825 
1 1 1    3   16    0 o  579.889   5.7799  3368.22   67.026 -12.15277 11.55973 
1 1 1    3   16    1 o  353.260   4.3036  1225.99   28.701 19.23361 8.607124 
1 1 1    3   16    2 o  183.747   4.1942  337.782   15.414      ?      ? 
1 1 1    3   16    3 o  487.857   4.8332  2381.28   47.138 10.40805 9.666487 
1 1 1    3   16    4 o  310.403   3.3422  963.171   20.722 -5.220886 6.684404 
1 1 1    3   16    5 o  700.413   6.8408  4916.33   95.822 -3.333008 13.68158 
1 1 1    3   16    6 o  370.065   3.8647  1367.89   28.550 -10.44464 7.729403 
1 1 1    3   16    7 o  447.134   6.4277  2001.11   57.481      ?      ? 
1 1 1    3   16    8 o  351.452   3.2618  1219.79   21.125 -11.49573 6.523560 
1 1 1    3   16    9 o  309.251   3.4047  956.628   21.058      ?      ? 
1 1 1    3   16   10 o  539.195   3.7914  2909.30   40.885 2.145569 7.582852 
1 1 1    3   16   11 o  189.064   2.3351  356.534   8.8156 14.21602 4.670209 
1 1 1    3   16   13 o  590.720   4.1678  3492.28   49.237 3.783630 8.335579 
1 1 1    3   16   15 o  463.182   3.4145  2146.27   31.623 7.258606 6.829095 
1 1 1    3   16   16 o  344.599   4.0829  1188.11   28.139      ?      ? 
1 1 1    3   16   17 o  382.714   3.0581  1465.53   23.405 -3.092621 6.116114 
1 1 1    3   16   18 o  127.337   4.2426  162.966   10.735 -17.35454 8.485182 
1 1 1    3   16   19 o  230.165   2.8834  530.182   13.267 0.1355286 5.766810 
1 1 1    3   16   20 o   89.167   6.1317   79.415   10.904 6.826836 12.26348 
1 1 1    3   16   21 o  250.650   2.8721  629.037   14.369 -0.9270630 5.744266 
1 1 1    3   16   22 o  178.268   4.5412  318.249   16.191      ?      ? 
1 1 1    3   16   23 o  176.247   3.3367  311.315   11.731 0.9513855E-01 6.673399 
1 1 1    3   16   24 o   56.380   9.4117   33.849   10.434 -4.719120 18.82342 
1 1 1    3   16   25 o  112.185   4.7480  127.749   10.528 -8.534698 9.496080 
1 1 1    3   16   26 o  194.063   3.0834  376.775   11.914 4.532806 6.166792 
1 1 1    3   16   29 o  123.930   4.4488  151.764   10.919 18.80824 8.897584 
1 1 1    3   16   30 o  140.895   5.3977  200.207   15.210      ?      ? 
1 1 1    3   16   32 f  148.267   3.8945  221.835   11.513 -1.055252 7.789033 
1 1 1    3   16   33 o  124.466   4.6199  156.163   11.441 0.7507553 9.239777 
1 1 1    3   16   34 o  150.198   4.0487  228.484   12.058 -3.706955 8.097419 
1 1 1    3   16   35 o   32.102   10.144  -4.2034   12.655 2.427279 20.28708 
1 1 1    3   16   36 o   84.051   7.0786   72.379   11.816 5.894432 14.15723 
1 1 1    3   16   37 o  123.737   4.7531  153.532   11.680 9.413025 9.506174 
1 1 1    3   16   38 o  102.579   6.5085  107.451   12.742 7.192299 13.01706 
1 1 1    3   17    0 o  236.498   2.8171  559.992   13.223 1.693115 5.634152 
1 1 1    3   17    1 o  480.490   6.7731  2311.05   65.088      ?      ? 
1 1 1    3   17    2 o  527.205   7.3732  2782.78   77.744      ?      ? 
1 1 1    3   17    3 o  726.084   10.029  5283.66  145.632      ?      ? 
1 1 1    3   17    4 o  777.828   7.5824  6064.38  117.937 8.799927 15.16471 
1 1 1    3   17    5 o  478.108   4.7755  2288.25   45.663 -0.3932495 9.551072 
1 1 1    3   17    6 o  722.974   7.0615  5229.72  101.954 -22.91577 14.12300 
1 1 1    3   17    7 o  245.860   3.2269  602.421   15.786 -8.984436 6.453867 
1 1 1    3   17    8 o  459.490   6.6308  2113.60   60.936      ?      ? 
1 1 1    3   17    9 o  174.721   2.9113  305.337   10.173      ?      ? 
1 1 1    3   17   10 o  241.854   2.2527  571.113   10.766 -43.24350 4.505500 
1 1 1    3   17   11 o  239.428   3.2708  573.412   15.663      ?      ? 
1 1 1    3   17   12 o  274.822   3.5291  755.496   19.397      ?      ? 
1 1 1    3   17   13 o  216.875   2.5734  468.553   11.139 16.46924 5.146719 
1 1 1    3   17   14 o   94.301   4.8491   89.531   9.0981 -8.412659 9.698284 
1 1 1    3   17   15 o  346.005   4.0297  1197.81   27.886      ?      ? 
1 1 1    3   17   16 o  263.163   2.7329  692.905   14.383 -4.764008 5.465840 
1 1 1    3   17   17 o  167.717   3.2897  281.573   11.034 -0.8414917 6.579497 
1 1 1    3   17   18 o  318.054   2.8008  1012.40   17.815 -1.404541 5.601522 
1 1 1    3   17   19 o  269.416   2.7673  726.704   14.905 -3.169342 5.534559 
1 1 1    3   17   20 o  137.215   4.0347  189.775   10.993 -8.509064 8.069375 
1 1 1    3   17   21 o  161.557   4.7892  261.408   15.474      ?      ? 
1 1 1    3   17   22 o  166.005   3.3732  276.488   11.170 -2.564026 6.746315 
1 1 1    3   17   23 o  142.437   3.7129  202.426   10.549 9.990143 7.425717 
1 1 1    3   17   24 o   49.765   9.5645   26.504   9.9771 -11.46717 19.12905 
1 1 1    3   17   25 o   87.877   5.8844   79.466   10.124 -10.87181 11.76877 
1 1 1    3   17   26 o  117.467   4.5926  139.216   10.724 -1.122734 9.185246 
1 1 1    3   17   28 o  168.711   3.5298  286.129   11.816 0.7577362 7.059608 
1 1 1    3   17   29 o   80.166   6.6894   66.195   10.554 -6.556892 13.37872 
1 1 1    3   17   30 o  121.183   6.4123  162.984   11.136 112.9851 12.82458 
1 1 1    3   17   31 o  133.442   6.1507  180.024   16.415      ?      ? 
1 1 1    3   17   32 o  160.428   4.5728  264.600   13.306 -7.204590 9.145542 
1 1 1    3   17   33 o   25.496   8.4770 -15.2349   11.092 -1.041790 16.95397 
1 1 1    3   17   34 o   47.568   10.454   23.933   10.880 5.315495 20.90832 
1 1 1    3   17   35 o  120.405   4.8185  143.966   11.469 19.11191 9.637022 
1 1 1    3   17   36 o   76.010   7.4356   60.193   11.156 -3.590790 14.87126 
1 1 1    3   17   37 o   68.858   8.4769   49.645   11.307 16.39908 16.95375 
1 1 1    3   18    0 o  330.761   3.5540  1093.78   23.499 8.483307 7.108056 
1 1 1    3   18    1 o  425.220   6.0621  1809.73   51.555      ?      ? 
1 1 1    3   18    2 o  413.037   5.9244  1707.45   48.940      ?      ? 
1 1 1    3   18    3 o  591.590   8.2219  3505.59   97.280      ?      ? 
1 1 1    3   18    4 o  250.136   3.0317  625.626   15.132 -1.943222 6.063433 
1 1 1    3   18    5 o  332.149   3.5629  1103.89   23.653 -0.3037109 7.125847 
1 1 1    3   18    6 o  318.325   3.5242  1014.22   22.424 3.127716 7.048374 
1 1 1    3   18    7 o  405.253   4.2146  1633.60   33.982 -23.22247 8.429127 
1 1 1    3   18    8 o  332.392   3.7491  1099.06   24.803 -19.08731 7.498167 
1 1 1    3   18    9 o  418.696   3.8427  1749.73   30.170 -3.070526 7.685481 
1 1 1    3   18   10 o  554.915   5.6026  3081.63   62.179      ?      ? 
1 1 1    3   18   12 o  193.525   3.4207  374.667   13.240      ?      ? 
1 1 1    3   18   13 o  314.159   2.6582  987.395   16.702 1.921783 5.316350 
1 1 1    3   18   14 o  447.134   3.3168  1994.83   29.603 20.41431 6.633637 
1 1 1    3   18   15 o  197.256   3.7122  400.471   13.148 -13.05719 7.424302 
1 1 1    3   18   16 o  114.231   4.2977  130.561   9.8134 4.154045 8.595494 
1 1 1    3   18   17 o  387.787   3.0241  1505.01   23.453 -5.021179 6.048285 
1 1 1    3   18   18 o  114.835   4.4997  132.196   10.320 -0.2483978 8.999315 
1 1 1    3   18   19 f  318.909   2.8096  1018.06   17.919 -3.312531 5.619196 
1 1 1    3   18   20 f   75.820   7.5959   59.969   10.367 41.27157 15.19184 
1 1 1    3   18   21 f   43.112   8.6560   15.920   10.013 -31.10933 17.31195 
1 1 1    3   18   22 o  229.002   2.7488  524.798   12.576 3.433670 5.497642 
1 1 1    3   18   23 o  159.138   3.3465  254.860   10.606 -8.423828 6.692950 
1 1 1    3   18   24 o  198.538   2.9404  393.802   11.621 6.763107 5.880835 
1 1 1    3   18   25 o   81.927   6.2405   68.682   10.064 -5.719475 12.48107 
1 1 1    3   18   26 o  190.348   4.3464  362.815   16.547      ?      ? 
1 1 1    3   18   28 o  103.159   6.5670  100.446   11.896 14.79504 13.13391 
1 1 1    3   18   29 o  158.001   3.6277  254.021   11.373 -16.69672 7.255392 
1 1 1    3   18   30 o   89.522   8.3658   81.201   14.978      ?      ? 
1 1 1    3   18   31 o   33.016   9.6454   4.4445   10.254 2.606268 19.29082 
1 1 1    3   18   32 o  156.016   3.6801  242.365   11.385 10.96588 7.360204 
1 1 1    3   18   33 o  161.971   3.6484  262.410   11.658 6.428253 7.296851 
1 1 1    3   18   34 o  137.387   4.2864  195.342   11.402 -15.77008 8.572796 
1 1 1    3   18   35 o   58.542   9.6343   37.106   10.955 4.721783 19.26858 
1 1 1    3   18   36 o   67.602   8.3962   47.989   11.016 -0.5939560 16.79249 
1 1 1    3   18   37 o   95.831   5.9219   97.600   11.345 2.221718 11.84375 
1 1 1    3   19    0 o  601.273   6.3201  3614.15   75.226 9.163635 12.64023 
1 1 1    3   19    1 o  447.958   6.4014  2008.66   57.351      ?      ? 
1 1 1    3   19    2 o  674.987   9.3532  4565.79  126.266      ?      ? 
1 1 1    3   19    3 o  383.575   5.6373  1472.44   43.247      ?      ? 
1 1 1    3   19    4 o  712.317   6.9676  5075.51   99.098 -24.55145 13.93524 
1 1 1    3   19    5 o  432.800   4.4125  1854.54   37.864 -34.15488 8.825001 
1 1 1    3   19    6 o  474.784   4.8007  2256.84   45.582 -0.1028137 9.601327 
1 1 1    3   19    7 o  249.586   3.4880  610.691   17.192 -31.27576 6.976017 
1 1 1    3   19    8 o  672.626   6.6258  4533.69   89.133 2.369751 13.25162 
1 1 1    3   19    9 o  270.866   3.7174  734.016   20.088 25.84369 7.434719 
1 1 1    3   19   10 o  254.157   5.4008  646.604   27.453      ?      ? 
1 1 1    3   19   11 o  533.178   3.8148  2844.42   40.668 -8.257813 7.629530 
1 1 1    3   19   12 o  470.262   4.8322  2213.14   45.448      ?      ? 
1 1 1    3   19   13 o  395.540   2.9997  1565.57   23.730 1.092072 5.999443 
1 1 1    3   19   14 o  147.857   3.0389  218.407   8.9762 9.867783 6.077871 
1 1 1    3   19   15 f  140.593   3.2704  197.215   9.1806 8.666199 6.540765 
1 1 1    3   19   16 o  352.730   2.8277  1245.26   19.948 -0.6062927 5.655360 
1 1 1    3   19   17 o  403.761   3.0939  1632.04   24.983 1.306396 6.187778 
1 1 1    3   19   18 o   75.444   6.5534   57.038   9.8691 6.450874 13.10681 
1 1 1    3   19   19 o  190.664   4.1222  363.964   15.719      ?      ? 
1 1 1    3   19   20 f   67.067   7.5116   46.978   9.6433 -12.52836 15.02320 
1 1 1    3   19   21 o  138.902   3.5871  192.409   9.9262 7.797104 7.174191 
1 1 1    3   19   22 o  101.065   4.8342  103.011   9.6885 -2.569832 9.668497 
1 1 1    3   19   23 o  268.746   2.6829  723.839   14.403 -0.5807190 5.365893 
1 1 1    3   19   24 o  270.838   2.6854  733.661   14.495 6.467468 5.370727 
1 1 1    3   19   25 o  141.184   3.8657  197.978   10.812 9.212402 7.731403 
1 1 1    3   19   26 f  129.432   4.2779  169.835   10.864 -4.816849 8.555757 
1 1 1    3   19   27 o  126.566   4.0421  159.795   10.148 8.459900 8.084129 
1 1 1    3   19   28 o   76.542   6.7640   61.196   10.170 -2.821678 13.52806 
1 1 1    3   19   30 o   55.144   9.2377   32.666   9.9865 6.519169 18.47531 
1 1 1    3   19   31 o   97.839   5.5173   94.161   10.575 27.71593 11.03464 
1 1 1    3   19   32 o   29.229   9.0624  -3.4879   10.531 -5.475754 18.12481 
1 1 1    3   19   33 o   88.461   6.2592   80.485   10.846 -2.400894 12.51831 
1 1 1    3   19   34 o  159.339   3.7696  256.962   11.833 -2.146606 7.539131 
1 1 1    3   19   35 o   66.450   8.5554   46.795   10.851 6.687931 17.11080 
1 1 1    3   19   36 o   22.399   7.6956 -24.8472   10.706 3.221565 15.39111 
1 1 1    3   20    0 o  479.215   6.8146  2299.11   65.313      ?      ? 
1 1 1    3   20    1 o  260.275   4.6818  677.796   24.371      ?      ? 
1 1 1    3   20    2 o  521.669   7.3664  2724.98   76.856      ?      ? 
1 1 1    3   20    3 o  598.083   8.3574  3583.04   99.968      ?      ? 
1 1 1    3   20    4 o  389.323   5.8073  1516.95   45.218      ?      ? 
1 1 1    3   20    5 o  329.335   3.6802  1085.59   24.233 8.407166 7.360302 
1 1 1    3   20    6 o  208.201   3.4766  432.766   14.401 -4.526474 6.953178 
1 1 1    3   20    7 o  305.423   3.6243  930.832   22.075 -11.39398 7.248524 
1 1 1    3   20    8 o  406.879   4.3080  1656.34   35.025 -6.862091 8.616090 
1 1 1    3   20    9 o  775.745   7.6154  6022.93  117.883 -30.57526 15.23079 
1 1 1    3   20   10 o  361.892   4.1055  1307.54   29.633 -12.52774 8.211029 
1 1 1    3   20   11 o  539.245   3.9074  2906.72   42.088 -15.76752 7.814699 
1 1 1    3   20   12 o  266.586   3.3422  711.012   17.820      ?      ? 
1 1 1    3   20   13 o  317.218   2.5985  1006.88   16.486 -0.4482117 5.197090 
1 1 1    3   20   14 o  401.762   3.0202  1615.43   24.266 3.261475 6.040421 
1 1 1    3   20   15 o  155.146   2.9705  239.079   9.1781 18.78056 5.940922 
1 1 1    3   20   16 o  182.108   2.7920  332.090   10.164 -5.836685 5.584036 
1 1 1    3   20   17 o  312.612   3.8000  978.126   23.758      ?      ? 
1 1 1    3   20   18 o  149.959   3.3349  225.549   9.9854 -3.902313 6.669896 
1 1 1    3   20   19 o  181.368   2.8934  329.375   10.475 1.085327 5.786769 
1 1 1    3   20   20 o  155.875   3.1508  243.742   9.7937 -2.669128 6.301622 
1 1 1    3   20   21 o  124.596   3.7993  156.007   9.4182 -1.959129 7.598654 
1 1 1    3   20   22 o  128.506   3.7853  165.182   9.6764 4.589073 7.570536 
1 1 1    3   20   23 f  189.651   2.8848  360.182   10.905 2.667053 5.769520 
1 1 1    3   20   25 o  154.482   3.5540  238.871   10.931 4.371643 7.108071 
1 1 1    3   20   26 o   65.761   7.7833   46.905   9.5747 -16.34461 15.56651 
1 1 1    3   20   27 o   89.104   5.5170   80.816   9.7034 0.1538239 11.03395 
1 1 1    3   20   29 o   52.210   9.3963   29.542   9.8021 2.493176 18.79266 
1 1 1    3   20   30 o  156.669   5.4020  247.246   16.926      ?      ? 
1 1 1    3   20   31 o   94.342   8.7835   91.446   16.573      ?      ? 
1 1 1    3   20   32 o  102.954   5.5049  108.746   11.130 -4.563065 11.00972 
1 1 1    3   20   33 o  105.243   5.5061  114.497   11.344 -8.333176 11.01225 
1 1 1    3   20   34 o   82.238   6.8107   68.480   11.097 9.717712 13.62130 
1 1 1    3   20   35 o  109.552   5.1047  120.906   11.149 8.517387 10.20939 
1 1 1    3   21    0 o  572.191   8.0157  3281.03   91.730      ?      ? 
1 1 1    3   21    1 o  402.596   5.8845  1622.72   47.381      ?      ? 
1 1 1    3   21    2 o  429.651   6.2136  1848.45   53.394      ?      ? 
1 1 1    3   21    3 o  367.782   5.5553  1354.08   40.862      ?      ? 
1 1 1    3   21    4 o  377.448   5.7034  1426.26   43.055      ?      ? 
1 1 1    3   21    5 o  438.869   4.4979  1928.16   39.475 7.298645 8.995828 
1 1 1    3   21    6 o  288.812   3.5170  824.859   20.162 -27.19635 7.034018 
1 1 1    3   21    7 o  208.158   3.6101  433.387   14.981 -1.619080 7.220155 
1 1 1    3   21    8 o  134.429   5.0464  178.635   13.467 -14.80991 10.09273 
1 1 1    3   21    9 o  369.639   4.1192  1366.76   30.412 -7.029083 8.238330 
1 1 1    3   21   10 o  221.716   3.9066  492.522   17.248 1.522675 7.813232 
1 1 1    3   21   11 o  236.245   3.8240  557.453   18.010 -7.027008 7.648094 
1 1 1    3   21   12 o  115.133   3.5683  132.641   8.2166      ?      ? 
1 1 1    3   21   13 o  224.482   2.3028  504.288   10.333 -0.9934387 4.605657 
1 1 1    3   21   14 o  376.185   2.8714  1415.56   21.594 -8.608276 5.742853 
1 1 1    3   21   15 o   86.157   4.6285   74.734   7.9402 -5.261505 9.256987 
1 1 1    3   21   16 o  203.725   3.6611  415.405   14.917      ?      ? 
1 1 1    3   21   17 o  119.505   3.7047  143.680   8.8208 -10.08614 7.409383 
1 1 1    3   21   18 o  131.089   3.3726  172.460   8.8301 -5.312042 6.745227 
1 1 1    3   21   19 o  194.570   2.6379  379.307   10.260 -3.610199 5.275890 
1 1 1    3   21   20 o  155.562   3.0368  242.529   9.4312 0.1346588 6.073557 
1 1 1    3   21   21 o  250.652   2.5898  629.847   12.973 -4.296402 5.179568 
1 1 1    3   21   22 o  344.036   2.8183  1186.74   19.391 -3.336792 5.636682 
1 1 1    3   21   23 o  146.960   5.0986  216.499   14.986      ?      ? 
1 1 1    3   21   24 o   47.495   13.937   23.655   14.093      ?      ? 
1 1 1    3   21   25 o   52.715   9.0228   29.717   9.3922 1.086151 18.04564 
1 1 1    3   21   26 o  121.711   4.0474  148.477   9.7597 5.253998 8.094719 
1 1 1    3   21   27 f  145.755   3.5582  213.258   10.154 -1.129349 7.116402 
1 1 1    3   21   28 o   96.884   5.0057   96.512   9.5261 -8.887535 10.01134 
1 1 1    3   21   29 o   38.669   9.8235   13.835   9.6540 -1.213192 19.64705 
1 1 1    3   21   30 o   20.735   7.2325 -31.3053   10.440 4.605137 14.46494 
1 1 1    3   21   31 o  110.410   5.1029  126.656   10.961 -15.42433 10.20575 
1 1 1    3   21   32 o   40.663   10.227   15.524   10.825 -8.625050 20.45330 
1 1 1    3   21   33 o   41.609   10.335   16.361   10.608 6.957584 20.66921 
1 1 1    3   21   34 o   94.733   5.8344   91.487   10.985 -1.728424 11.66879 
1 1 1    3   21   35 f   48.814   10.228   27.886   10.710 -3.965504 20.45667 
1 1 1    3   22    0 o  205.640   4.6114  423.177   18.966      ?      ? 
1 1 1    3   22    1 o  350.579   5.3189  1230.22   37.294      ?      ? 
1 1 1    3   22    2 o  402.570   5.9084  1622.55   47.571      ?      ? 
1 1 1    3   22    3 o  255.211   4.8205  651.859   24.605      ?      ? 
1 1 1    3   22    4 o  475.711   6.8223  2266.89   64.909      ?      ? 
1 1 1    3   22    5 o  704.391   6.9255  4975.01   97.490 17.43347 13.85091 
1 1 1    3   22    6 o  640.161   6.3196  4107.13   80.849 16.01300 12.63926 
1 1 1    3   22    7 f  438.563   4.5327  1926.73   39.754 -0.2036133 9.065470 
1 1 1    3   22    8 o  286.203   3.6225  820.510   20.723 10.31097 7.244989 
1 1 1    3   22    9 o  299.965   3.7223  899.359   22.286 -8.005066 7.444574 
1 1 1    3   22   10 f  159.663   4.5597  253.234   14.496 -17.37314 9.119305 
1 1 1    3   22   11 o  141.364   5.1086  200.219   14.368 -1.342041 10.21729 
1 1 1    3   22   12 o  305.859   3.8372  936.385   23.451 -5.415375 7.674463 
1 1 1    3   22   13 o  161.917   2.2999  260.799   7.3979 7.777786 4.599829 
1 1 1    3   22   15 o  312.557   2.5651  977.917   16.035 1.333832 5.130267 
1 1 1    3   22   16 o  172.173   2.5603  296.872   8.8145 -1.542542 5.120657 
1 1 1    3   22   17 o   58.713   6.9729   36.558   7.7187 -20.44754 13.94588 
1 1 1    3   22   18 o   93.449   4.1927   87.656   7.8344 0.7264938 8.385392 
1 1 1    3   22   19 o  320.641   2.6295  1028.98   16.854 -10.48096 5.258981 
1 1 1    3   22   20 o   66.300   6.3657   44.921   8.3375 -11.04915 12.73140 
1 1 1    3   22   21 o   59.276   7.5980   37.297   8.6211 -20.68761 15.19604 
1 1 1    3   22   23 o   18.589   6.5401 -33.7262   9.4663 -3.323715 13.08014 
1 1 1    3   22   24 o   32.693   9.1246   6.1225   8.9646 -5.004562 18.24925 
1 1 1    3   22   25 o   35.343   9.3007   10.305   8.8869 -4.159340 18.60132 
1 1 1    3   22   27 f   53.959   8.6037   32.131   9.2443 -14.76478 17.20731 
1 1 1    3   22   28 o   49.276   9.2872   26.663   9.3621 -6.082710 18.57439 
1 1 1    3   22   29 o   41.704   9.1610   13.864   9.7695 25.97432 18.32206 
1 1 1    3   22   30 o   44.868   10.254   20.508   10.493 7.399677 20.50753 
1 1 1    3   22   31 o   50.325   9.4098   28.230   11.172 -29.75114 18.81960 
1 1 1    3   22   32 o  192.703   4.7928  374.207   18.472      ?      ? 
1 1 1    3   22   33 o   57.179   9.4661   35.625   10.602 0.5291176 18.93213 
1 1 1    3   22   34 f  128.066   4.5608  166.872   11.621 -5.556320 9.121529 
1 1 1    3   23    0 o  195.537   4.5933  382.697   17.963      ?      ? 
1 1 1    3   23    1 o  505.988   7.1477  2565.93   72.334      ?      ? 
1 1 1    3   23    2 o  277.006   4.7863  768.096   26.517      ?      ? 
1 1 1    3   23    3 o  344.920   5.3559  1191.22   36.947      ?      ? 
1 1 1    3   23    4 f  248.690   4.8468  619.129   24.107      ?      ? 
1 1 1    3   23    5 o  117.167   7.2363  137.620   16.957      ?      ? 
1 1 1    3   23    6 f  299.414   3.5472  897.411   21.237 9.140076 7.094444 
1 1 1    3   23    7 o  310.056   3.6300  962.706   22.507 0.8101196 7.259998 
1 1 1    3   23    8 o  193.554   3.7570  376.160   14.504 13.93893 7.514006 
1 1 1    3   23    9 o  285.759   3.6362  816.343   20.757 19.10031 7.272415 
1 1 1    3   23   10 o  235.355   3.7260  556.112   17.498 14.00583 7.451918 
1 1 1    3   23   11 o  255.252   3.7783  652.915   19.245 1.452545 7.556526 
1 1 1    3   23   12 o  272.156   3.7805  737.203   20.478 -17.15170 7.561061 
1 1 1    3   23   13 o  172.958   4.4525  301.704   15.316 16.30550 8.905054 
1 1 1    3   23   14 o  113.096   3.5832  128.070   8.1048      ?      ? 
1 1 1    3   23   15 o  381.328   2.8743  1456.43   21.921 -0.7023010 5.748657 
1 1 1    3   23   16 f  262.448   2.3681  689.543   12.429 1.441559 4.736135 
1 1 1    3   23   17 o  173.323   3.4988  300.850   12.128      ?      ? 
1 1 1    3   23   18 o  105.742   3.5777  112.603   7.5398 -6.064888 7.155380 
1 1 1    3   23   19 o   31.475   8.3009   6.5089   7.4818 -10.22002 16.60179 
1 1 1    3   23   20 o  185.848   3.6404  346.368   13.531      ?      ? 
1 1 1    3   23   21 o  244.009   3.5371  595.844   17.262      ?      ? 
1 1 1    3   23   22 o  199.316   2.6519  397.702   10.556 -11.51695 5.303749 
1 1 1    3   23   23 o   34.854   9.0990   9.8029   8.5260 -5.866840 18.19799 
1 1 1    3   23   24 o  130.723   3.5976  172.680   9.3838 -8.726234 7.195177 
1 1 1    3   23   25 o  214.684   3.7570  461.491   16.131      ?      ? 
1 1 1    3   23   26 o   24.008   7.8177  -9.2242   8.8051 -2.219284 15.63540 
1 1 1    3   23   27 o   99.011   4.6939   98.771   9.2658 6.865913 9.387772 
1 1 1    3   23   28 o  134.780   3.7378  181.005   10.027 15.70647 7.475644 
1 1 1    3   23   29 o  119.967   4.2870  144.607   10.247 6.865021 8.574087 
1 1 1    3   23   30 o   47.193   9.9875   22.933   10.382 14.58074 19.97503 
1 1 1    3   23   31 o   87.097   6.3564   76.931   10.966 16.84542 12.71273 
1 1 1    3   23   32 o   71.345   7.4547   52.476   10.603 3.666924 14.90945 
1 1 1    3   23   33 o  127.231   4.1884  162.811   10.634 11.29537 8.376736 
1 1 1    3   24    0 o  302.423   4.8439  915.756   29.298      ?      ? 
1 1 1    3   24    1 o  268.958   4.6127  724.221   24.812      ?      ? 
1 1 1    3   24    2 o  160.813   5.1073  258.979   16.426      ?      ? 
1 1 1    3   24    3 f  200.925   4.7975  404.227   19.279      ?      ? 
1 1 1    3   24    4 o  365.794   5.5485  1340.40   40.592      ?      ? 
1 1 1    3   24    5 o  199.316   4.9307  397.837   19.655      ?      ? 
1 1 1    3   24    6 o  276.571   3.4245  766.060   18.929 0.6421509 6.848975 
1 1 1    3   24    7 o  312.914   3.6426  979.609   22.782 14.79410 7.285109 
1 1 1    3   24    8 o  317.996   3.7065  1013.15   23.567 7.423767 7.413054 
1 1 1    3   24    9 o  113.643   5.7234  126.578   12.720 -33.84944 11.44685 
1 1 1    3   24   10 o  164.870   4.2969  269.712   14.045 -12.18018 8.593740 
1 1 1    3   24   11 o  323.794   3.8563  1051.30   24.961 2.673065 7.712593 
1 1 1    3   24   12 o  118.543   5.6271  141.507   13.288 0.9164810 11.25413 
1 1 1    3   24   13 o  144.331   4.7417  209.304   13.678 1.927109 9.483388 
1 1 1    3   24   14 o   47.061   10.492   17.446   13.099 28.51654 20.98353 
1 1 1    3   24   15 o  263.534   2.3090  694.965   12.160 3.516968 4.618008 
1 1 1    3   24   16 o  174.104   2.2595  302.735   7.8387 5.125793 4.519021 
1 1 1    3   24   17 o   90.020   3.7439   82.004   6.6824 -7.193565 7.487730 
1 1 1    3   24   18 o   51.561   7.1046   27.713   7.0334 3.817478 14.20924 
1 1 1    3   24   19 o  106.337   4.1492  122.456   8.0224 -49.47540 8.298367 
1 1 1    3   24   20 o  207.172   3.5420  429.595   14.676      ?      ? 
1 1 1    3   24   21 o   63.752   7.1727   47.802   8.0265 -38.18753 14.34542 
1 1 1    3   24   22 o  182.221   2.6150  333.059   9.5165 -0.6064301 5.230030 
1 1 1    3   24   23 o   58.505   7.7750   37.850   8.7259 -19.53362 15.54992 
1 1 1    3   24   25 o   21.002   7.1245 -17.6681   8.7086 3.071913 14.24907 
1 1 1    3   24   26 o   99.330   4.6686   99.633   9.2181 15.23988 9.337132 
1 1 1    3   24   27 o  216.486   2.7583  469.409   11.915 5.262726 5.516688 
1 1 1    3   24   28 o   93.833   5.2554   89.643   9.7813 -2.554497 10.51078 
1 1 1    3   24   29 f  199.077   2.9623  397.711   11.776 6.033417 5.924635 
1 1 1    3   24   30 o   45.711   10.061   22.578   10.174 -1.458359 20.12130 
1 1 1    3   24   31 o  132.421   4.1731  178.479   10.977 -10.75417 8.346143 
1 1 1    3   24   32 o   84.656   6.0196   72.728   10.114 14.67231 12.03918 
1 1 1    3   25    0 f  125.092   6.0009  156.826   15.013      ?      ? 
1 1 1    3   25    1 o  180.297   4.7624  325.524   17.173      ?      ? 
1 1 1    3   25    2 o  177.722   4.8698  316.309   17.309      ?      ? 
1 1 1    3   25    3 o  298.212   4.9074  890.613   29.269      ?      ? 
1 1 1    3   25    4 f  353.356   5.4278  1250.86   38.359      ?      ? 
1 1 1    3   25    5 o  264.183   4.8127  698.931   25.429      ?      ? 
1 1 1    3   25    6 o  389.862   5.8489  1523.35   45.606      ?      ? 
1 1 1    3   25    7 o  164.760   3.8880  275.674   12.642 22.36584 7.775989 
1 1 1    3   25    8 o  106.683   6.0215  124.237   11.735 44.04072 12.04302 
1 1 1    3   25    9 o  216.924   3.5197  472.525   15.240 7.831100 7.039439 
1 1 1    3   25   10 o  237.891   3.5478  567.837   16.862 5.806976 7.095649 
1 1 1    3   25   11 o  114.568   5.4846  131.127   12.524 -11.98911 10.96919 
1 1 1    3   25   12 o  184.210   3.8951  340.201   14.337 -2.704529 7.790168 
1 1 1    3   25   13 o  340.395   3.8874  1162.68   26.463 -2.466736 7.774848 
1 1 1    3   25   14 o  185.658   3.9511  345.784   14.663 -7.871964 7.902148 
1 1 1    3   25   15 o   82.085   8.4123   70.647   13.078 24.42426 16.82451 
1 1 1    3   25   16 o  106.447   4.5687   99.356   6.9107 19.29020 9.137493 
1 1 1    3   25   17 o   86.404   4.0128   75.605   6.8544 -3.907501 8.025563 
1 1 1    3   25   19 o   89.773   4.5064   86.544   7.5726 -28.42179 9.012873 
1 1 1    3   25   20 o   83.846   4.5108   71.433   7.4971 -10.77901 9.021545 
1 1 1    3   25   21 o  112.159   3.5394  126.464   7.9374 -3.158356 7.078789 
1 1 1    3   25   22 o   44.782   12.253   21.653   11.288      ?      ? 
1 1 1    3   25   24 f   76.297   5.7359   59.347   8.7364 -1.715805 11.47184 
1 1 1    3   25   25 o   74.305   6.0774   56.342   8.9826 10.13729 12.15489 
1 1 1    3   25   26 o   54.234   8.3075   33.023   9.3227 -31.00161 16.61507 
1 1 1    3   25   27 o  112.474   4.3357  128.075   9.6993 -2.662842 8.671460 
1 1 1    3   25   28 o  201.179   2.8517  406.526   11.435 1.104477 5.703401 
1 1 1    3   25   29 o   46.130   9.5975   22.651   9.6301 11.93581 19.19505 
1 1 1    3   25   30 o   35.623   9.6440   9.6122   9.7664 -5.206017 19.28806 
1 1 1    3   25   31 o  108.860   4.5748  119.822   9.9574 -0.6608505 9.149681 
1 1 1    3   26    0 o   82.689   8.3720   68.777   13.845      ?      ? 
1 1 1    3   26    1 o  259.910   4.5455  676.717   23.628      ?      ? 
1 1 1    3   26    2 o  206.034   4.5633  425.274   18.804      ?      ? 
1 1 1    3   26    3 o  130.893   5.9356  171.883   15.539      ?      ? 
1 1 1    3   26    4 o  260.538   4.7150  680.261   24.569      ?      ? 
1 1 1    3   26    5 o  473.619   6.7956  2253.61   64.371      ?      ? 
1 1 1    3   26    6 o  144.667   5.8918  210.013   17.047      ?      ? 
1 1 1    3   26    7 o  178.925   3.4997  321.053   12.445 0.8363495 6.999443 
1 1 1    3   26    8 o  121.831   4.7220  145.054   11.309 -31.03506 9.443977 
1 1 1    3   26    9 o  471.200   4.8071  2230.47   45.293 6.801727 9.614141 
1 1 1    3   26   10 o  139.489   4.4035  195.443   12.270 0.1035004 8.806929 
1 1 1    3   26   11 o  114.381   5.2646  132.717   11.951 10.41307 10.52911 
1 1 1    3   26   12 o  209.537   3.5571  440.496   14.899 -2.027115 7.114165 
1 1 1    3   26   13 o  170.036   3.9496  290.432   13.429 4.679718 7.899171 
1 1 1    3   26   14 o   94.863   6.4444   90.948   12.207 -7.535904 12.88874 
1 1 1    3   26   15 o   71.802   9.2203   64.591   13.116 60.50546 18.44056 
1 1 1    3   26   16 o  288.337   3.8307  831.183   22.001 -6.926819 7.661440 
1 1 1    3   26   17 o  116.446   8.2493  136.577   19.212      ?      ? 
1 1 1    3   26   18 o  163.088   2.3803  267.834   7.7291 -11.89415 4.760652 
1 1 1    3   26   19 o  244.070   2.3136  597.219   11.290 -3.416260 4.627301 
1 1 1    3   26   20 o  183.320   2.4501  337.351   8.9795 0.1307526 4.900105 
1 1 1    3   26   23 o   36.231   8.5258   12.120   7.9159 -14.36744 17.05168 
1 1 1    3   26   24 o  166.503   2.9042  279.749   9.6200 -15.53134 5.808468 
1 1 1    3   26   25 o   21.764   7.2461 -17.8892   8.7543 -8.520313 14.49222 
1 1 1    3   26   26 o  101.009   4.6319  102.870   9.3174 13.16708 9.263802 
1 1 1    3   26   27 o   29.275   8.8056   1.0140   9.0165 1.751867 17.61121 
1 1 1    3   26   28 o   67.450   7.1391   47.497   9.2865 15.31367 14.27817 
1 1 1    3   26   29 o   72.462   6.6943   54.668   9.5796 -10.25570 13.38850 
1 1 1    3   26   30 f   78.733   6.0973   63.321   9.5697 7.465607 12.19459 
1 1 1    3   27    0 f  533.879   7.5405  2865.94   80.514      ?      ? 
1 1 1    3   27    1 o  204.238   4.4285  417.927   18.090      ?      ? 
1 1 1    3   27    2 o  216.127   4.4884  468.032   19.401      ?      ? 
1 1 1    3   27    3 o  250.143   4.5877  627.042   22.952      ?      ? 
1 1 1    3   27    4 o  155.159   5.3247  241.457   16.524      ?      ? 
1 1 1    3   27    5 o  204.764   4.7376  420.317   19.402      ?      ? 
1 1 1    3   27    6 o  161.769   5.3343  262.544   17.258      ?      ? 
1 1 1    3   27    7 o  134.410   6.1225  181.471   16.459      ?      ? 
1 1 1    3   27    8 o  216.310   3.2834  469.677   14.151 2.642487 6.566838 
1 1 1    3   27    9 o  186.052   3.4831  344.792   12.869 -10.89105 6.966142 
1 1 1    3   27   10 o  195.075   3.4853  381.346   13.513 -2.418900 6.970532 
1 1 1    3   27   11 f   63.180   9.1396   42.990   11.207 14.31408 18.27916 
1 1 1    3   27   12 o  233.046   3.4373  544.372   16.004 14.53673 6.874602 
1 1 1    3   27   13 o   31.748   9.7978  -5.0809   12.226 8.512774 19.59551 
1 1 1    3   27   14 o  321.573   3.8562  1034.72   24.760 -6.755310 7.712438 
1 1 1    3   27   15 o   42.204   10.812   12.578   13.272 16.72718 21.62486 
1 1 1    3   27   16 o  160.894   4.3862  261.511   14.010 1.155121 8.772402 
1 1 1    3   27   17 o  159.347   4.4404  255.985   14.149 -0.9093170 8.880780 
1 1 1    3   27   18 o  224.253   3.0936  493.500   11.627 8.837143 6.187274 
1 1 1    3   27   19 o   71.235   5.9179   51.227   8.4313      ?      ? 
1 1 1    3   27   20 f  168.164   3.3926  283.133   11.410      ?      ? 
1 1 1    3   27   21 o  115.188   3.3134  132.051   7.5904 12.92693 6.626792 
1 1 1    3   27   22 o   77.595   4.9543   60.395   7.6378 11.86330 9.908609 
1 1 1    3   27   24 o   23.319   7.5765  -9.9762   8.4475 -6.070974 15.15291 
1 1 1    3   27   25 o   66.686   6.5885   45.455   8.7562 7.918629 13.17696 
1 1 1    3   27   26 o   50.680   8.6486   27.852   8.6546 0.7653618 17.29722 
1 1 1    3   27   27 o   95.759   4.7422   93.338   9.0558 -4.633911 9.484311 
1 1 1    3   27   28 o   94.778   4.9536   90.836   9.3459 12.97201 9.907245 
1 1 1    3   27   29 o  109.156   4.3242  120.402   9.4344 4.231888 8.648485 
1 1 1    3   28    0 o  235.644   4.3114  556.641   20.319      ?      ? 
1 1 1    3   28    1 f  198.378   4.4110  394.554   17.501      ?      ? 
1 1 1    3   28    2 o  374.733   5.5608  1410.12   41.677      ?      ? 
1 1 1    3   28    3 o  197.260   4.5341  390.230   17.888      ?      ? 
1 1 1    3   28    4 o  166.332   4.8820  277.612   16.241      ?      ? 
1 1 1    3   28    5 o  133.747   5.8146  179.771   15.554      ?      ? 
1 1 1    3   28    6 o  370.641   5.5690  1380.01   41.282      ?      ? 
1 1 1    3   28    7 o   70.507   10.815   50.564   15.250      ?      ? 
1 1 1    3   28    8 o  406.866   4.2233  1663.36   34.355 10.57928 8.446566 
1 1 1    3   28    9 o  134.024   4.1484  180.846   10.998 0.6131592 8.296823 
1 1 1    3   28   10 o  207.348   3.4261  433.286   14.161 10.81973 6.852223 
1 1 1    3   28   11 o  259.968   3.4892  615.997   17.234 -78.59149 6.978310 
1 1 1    3   28   12 o  175.999   4.0811  312.182   13.853 61.40865 8.162271 
1 1 1    3   28   13 o  106.305   5.7254  112.465   12.061 -18.84089 11.45070 
1 1 1    3   28   14 o  166.491   4.0328  279.582   13.375 3.283783 8.065688 
1 1 1    3   28   15 o  184.260   3.8486  341.732   14.173 2.177032 7.697159 
1 1 1    3   28   16 o  261.223   3.5831  686.132   18.719 2.526001 7.166205 
1 1 1    3   28   17 f   24.217   8.2829 -29.1925   12.605 5.595591 16.56589 
1 1 1    3   28   18 o  196.772   4.0166  387.501   15.788 -13.08150 8.033233 
1 1 1    3   28   19 o   22.711   11.185 -37.2352   18.106      ?      ? 
1 1 1    3   28   20 o   81.566   6.2255   66.794   7.7918 1.206161 12.45090 
1 1 1    3   28   21 o  155.705   3.4355  243.155   10.699      ?      ? 
1 1 1    3   28   22 o   81.522   4.5586   66.912   7.3846 2.039871 9.117151 
1 1 1    3   28   23 o   47.674   8.2301   24.653   7.7780 -3.894730 16.46028 
1 1 1    3   28   24 f   80.520   5.0213   65.767   8.0768 2.152260 10.04268 
1 1 1    3   28   25 o  144.617   3.1337  211.155   9.0242 -5.926346 6.267399 
1 1 1    3   28   26 o   64.427   7.0101   42.289   8.5942 21.62302 14.02019 
1 1 1    3   28   27 o   83.893   5.3920   70.880   8.9673 5.869102 10.78410 
1 1 1    3   28   28 o   55.609   8.4384   32.376   9.3338 18.35612 16.87675 
1 1 1    3   29    0 o  277.273   4.5556  771.323   25.263      ?      ? 
1 1 1    3   29    1 o  195.224   4.3766  382.286   17.088      ?      ? 
1 1 1    3   29    2 o  115.020   6.0262  133.081   13.863      ?      ? 
1 1 1    3   29    3 o  227.072   4.3878  517.336   19.927      ?      ? 
1 1 1    3   29    4 o  170.065   4.8798  290.551   16.598      ?      ? 
1 1 1    3   29    5 o  128.612   6.1888  166.756   15.919      ?      ? 
1 1 1    3   29    6 o  104.893   7.6801  111.179   16.112      ?      ? 
1 1 1    3   29    7 o  303.729   5.0816  924.833   30.869      ?      ? 
1 1 1    3   29    8 o  331.078   5.3474  1098.04   35.408      ?      ? 
1 1 1    3   29    9 o  245.531   3.5572  577.656   16.993 78.55666 7.114352 
1 1 1    3   29   10 o   21.897   7.5531 -25.6800   10.396 -3.385162 15.10614 
1 1 1    3   29   11 f   91.336   5.7623   84.635   10.315 -0.6694031 11.52464 
1 1 1    3   29   12 o  130.437   4.3075  172.748   11.116 8.926552 8.614929 
1 1 1    3   29   13 o  155.155   3.8981  242.631   12.058 3.344604 7.796204 
1 1 1    3   29   14 o  243.620   3.5315  597.345   17.198 1.236069 7.063035 
1 1 1    3   29   15 o  131.772   5.3613  177.281   14.011 21.25977 10.72258 
1 1 1    3   29   16 o  343.483   3.9854  1175.84   27.277 -24.50500 7.970870 
1 1 1    3   29   17 o   31.375   9.6683 -11.0522   12.758 15.30651 19.33666 
1 1 1    3   29   18 f   30.005   9.4929 -12.4902   12.689 11.86653 18.98581 
1 1 1    3   29   19 o  162.925   4.5441  268.575   14.807 0.1838531 9.088262 
1 1 1    3   29   20 o  200.885   4.0961  405.524   16.438 6.801682 8.192276 
1 1 1    3   29   21 o   94.496   5.8246   89.148   8.0354 2.062248 11.64921 
1 1 1    3   29   22 o   40.612   9.8949   16.198   8.3185 0.8208885 19.78978 
1 1 1    3   29   23 o   91.080   4.0953   83.471   7.4329 3.916824 8.190598 
1 1 1    3   29   24 o  142.489   2.9996  204.456   8.5199 -1.211914 5.999250 
1 1 1    3   29   25 o   50.610   8.2597   27.900   8.1607 -4.118683 16.51938 
1 1 1    3   29   26 o   88.064   4.8000   78.732   8.4086 -3.108871 9.599956 
1 1 1    3   29   27 o   34.356   8.9261   10.121   8.2006 -5.526236 17.85228 
1 1 1    3   30    0 f  284.497   4.6618  810.414   26.525      ?      ? 
1 1 1    3   30    1 o  368.114   5.4862  1357.48   40.391      ?      ? 
1 1 1    3   30    2 o  418.231   6.0975  1753.12   51.003      ?      ? 
1 1 1    3   30    3 o  261.507   4.6112  684.839   24.117      ?      ? 
1 1 1    3   30    4 o  220.822   4.5472  488.496   20.083      ?      ? 
1 1 1    3   30    5 o  155.797   5.3526  243.702   16.678      ?      ? 
1 1 1    3   30    6 o  217.497   4.7502  475.766   20.663      ?      ? 
1 1 1    3   30    7 o  177.979   5.0188  318.819   17.865      ?      ? 
1 1 1    3   30    8 o   60.326   12.864   38.923   15.062      ?      ? 
1 1 1    3   30    9 f  138.264   3.9515  192.040   10.854 -1.906799 7.903078 
1 1 1    3   30   10 o  142.384   4.0119  205.568   11.335 11.44406 8.023897 
1 1 1    3   30   11 o  178.255   3.5481  318.595   12.588 -5.169571 7.096189 
1 1 1    3   30   12 o  136.353   4.4807  193.595   11.937 21.59994 8.961483 
1 1 1    3   30   13 o  152.833   4.4353  230.511   13.421 -28.70369 8.870535 
1 1 1    3   30   14 o  182.620   4.2709  334.987   15.590 4.035782 8.541878 
1 1 1    3   30   15 o   82.154   9.3415   75.005   14.061 40.98842 18.68291 
1 1 1    3   30   16 o  146.831   4.8062  218.844   14.079 -11.48656 9.612417 
1 1 1    3   30   17 o  222.030   3.7834  497.116   16.798 -2.562103 7.566743 
1 1 1    3   30   18 o   88.833   7.6720   81.951   13.404 15.66273 15.34398 
1 1 1    3   30   19 o  153.398   4.7989  238.717   14.711 -5.187042 9.597775 
1 1 1    3   30   20 o   45.851   11.780   19.704   14.002 1.977871 23.55934 
1 1 1    3   30   21 o   75.209   10.036   61.272   14.746 9.178543 20.07229 
1 1 1    3   30   22 o   55.640   9.3223   22.178   7.8109 31.96757 18.64459 
1 1 1    3   30   23 o  104.840   6.2099  124.791   8.9776 -17.95062 12.41988 
1 1 1    3   30   24 o   38.199   10.318   6.8853   9.1325 21.37698 20.63630 
1 1 1    3   30   25 o  106.186   3.9183  114.780   8.2349 -11.06329 7.836571 
1 1 1    3   30   26 o   94.554   4.6002   94.195   8.4115 -13.62238 9.200448 
1 1 1    3   31    0 o  204.786   4.2052  420.808   17.223      ?      ? 
1 1 1    3   31    1 o   95.634   6.6394   92.241   12.699      ?      ? 
1 1 1    3   31    2 o  236.976   4.3584  563.675   20.657      ?      ? 
1 1 1    3   31    3 o  103.380   6.3700  107.755   13.171      ?      ? 
1 1 1    3   31    4 o  215.544   4.2887  466.390   18.488      ?      ? 
1 1 1    3   31    5 o  207.764   4.3340  433.362   18.009      ?      ? 
1 1 1    3   31    6 o   82.417   8.5820   68.954   14.146      ?      ? 
1 1 1    3   31    7 o  145.034   5.5970  211.888   16.235      ?      ? 
1 1 1    3   31    8 o  153.415   5.6207  238.360   17.246      ?      ? 
1 1 1    3   31    9 o   35.983   14.531   7.4253   16.180      ?      ? 
1 1 1    3   31   10 o  235.368   3.4296  523.130   15.662 -62.12007 6.859164 
1 1 1    3   31   11 o  265.013   3.4668  700.362   18.293 -13.91022 6.933662 
1 1 1    3   31   12 o   56.048   7.7207   32.576   11.877 60.20571 15.44133 
1 1 1    3   31   13 o  130.066   4.8708  172.496   12.570 8.390427 9.741507 
1 1 1    3   31   14 o  179.848   4.0524  327.357   14.544 11.52959 8.104712 
1 1 1    3   31   15 o  264.349   3.6940  703.520   19.522 -3.624451 7.387924 
1 1 1    3   31   16 o  192.136   4.0109  371.222   15.386 15.55435 8.021746 
1 1 1    3   31   17 o  145.153   4.8571  214.179   14.099 2.883682 9.714258 
1 1 1    3   31   18 o   65.312   10.490   47.032   13.386 5.143917 20.98080 
1 1 1    3   31   19 o   80.965   8.9693   69.513   13.704 -30.36166 17.93864 
1 1 1    3   31   20 o  113.367   6.4245  133.593   14.314 22.59343 12.84901 
1 1 1    3   31   21 o   42.749   11.504   13.217   14.441 -14.43200 23.00882 
1 1 1    3   31   22 o   87.397   8.6199   79.989   15.060 -2.562798 17.23978 
1 1 1    3   31   23 o  182.126   3.7671  347.857   11.110 -13.75064 7.534247 
1 1 1    3   31   24 o   72.000   7.6500   46.830   9.0550 15.02023 15.29993 
1 1 1    3   32    0 o  154.728   4.7349  241.675   14.652      ?      ? 
1 1 1    3   32    1 f  152.456   4.9901  234.770   15.216      ?      ? 
1 1 1    3   32    2 o   17.721   8.9167 -40.2402   13.937      ?      ? 
1 1 1    3   32    3 f  101.519   6.9480  104.239   14.107      ?      ? 
1 1 1    3   32    4 o  246.765   4.4934  610.813   22.176      ?      ? 
1 1 1    3   32    5 o  316.842   5.0206  1006.57   31.815      ?      ? 
1 1 1    3   32    6 o  395.620   5.9234  1570.13   46.868      ?      ? 
1 1 1    3   32    7 o  221.744   4.9939  493.090   22.147      ?      ? 
1 1 1    3   32    8 o  177.339   5.4219  316.372   19.230      ?      ? 
1 1 1    3   32    9 o   21.339   10.511 -31.6333   15.732      ?      ? 
1 1 1    3   32   10 o  223.380   4.8323  502.246   21.589      ?      ? 
1 1 1    3   32   11 o  100.551   5.7494  102.599   11.523 -6.425873 11.49881 
1 1 1    3   32   12 o  349.035   3.9224  1228.16   27.375 9.835571 7.844872 
1 1 1    3   32   13 o  134.887   4.8084  183.327   12.952 -4.509201 9.616823 
1 1 1    3   32   14 o  159.128   4.3469  256.157   13.773 17.41660 8.693739 
1 1 1    3   32   15 f  101.090   6.5386  105.329   13.220 0.4052811 13.07725 
1 1 1    3   32   16 f  218.327   3.8126  480.472   16.647 -1.234589 7.625129 
1 1 1    3   32   17 o   40.176   11.114   11.493   13.182 6.146622 22.22859 
1 1 1    3   32   18 o   72.739   9.7442   57.659   13.631 2.133598 19.48845 
1 1 1    3   32   19 o  110.831   6.4764  127.064   14.283 7.423424 12.95275 
1 1 1    3   32   20 f   47.020   11.952   20.892   14.521 8.889954 23.90448 
1 1 1    3   32   21 o  203.880   4.2377  420.507   17.250 -3.723038 8.475387 
1 1 1    3   32   22 o   77.969   9.1075   63.239   14.167 3.301788 18.21491 
1 1 1    3   32   23 o  117.518   5.8080  140.458   13.423 29.39604 11.61591 
1 1 1    3   33    1 o  165.275   4.4194  274.697   14.608      ?      ? 
1 1 1    3   33    2 o   93.381   6.9979   88.441   13.069      ?      ? 
1 1 1    3   33    3 o  269.568   4.5626  731.016   24.598      ?      ? 
1 1 1    3   33    4 o  282.027   4.6549  800.215   26.256      ?      ? 
1 1 1    3   33    5 o  106.327   6.5850  114.436   14.003      ?      ? 
1 1 1    3   33    6 o  152.292   5.3123  233.878   16.180      ?      ? 
1 1 1    3   33    7 o   90.975   8.7674   84.734   15.952      ?      ? 
1 1 1    3   33    8 o   44.039   15.089   19.466   16.020      ?      ? 
1 1 1    3   33    9 o  284.586   4.9770  814.563   28.328      ?      ? 
1 1 1    3   33   10 o  261.922   4.9613  689.356   25.989      ?      ? 
1 1 1    3   33   11 o  132.639   6.6919  177.902   17.752      ?      ? 
1 1 1    3   33   12 o  191.644   3.6000  370.925   13.743 1.089294 7.200039 
1 1 1    3   33   13 o  131.052   4.7360  174.297   12.364 4.381546 9.471924 
1 1 1    3   33   14 o  118.157   5.4665  142.768   12.858 10.13982 10.93294 
1 1 1    3   33   15 o  146.212   4.7216  216.851   13.795 3.739929 9.443147 
1 1 1    3   33   16 o  193.224   4.0166  377.293   15.503 12.57106 8.033278 
1 1 1    3   33   17 o  166.065   4.5473  279.636   15.097 -3.776031 9.094658 
1 1 1    3   33   18 o  118.833   6.1772  144.982   14.553 19.56826 12.35444 
1 1 1    3   33   19 o  179.049   4.5203  324.802   16.173 -3.989212 9.040668 
1 1 1    3   33   20 o  154.667   5.0184  242.358   15.490 -0.5467834 10.03671 
1 1 1    3   33   21 o   42.301   11.213   16.267   12.756 4.004002 22.42669 
1 1 1    3   34    0 o  194.022   2.6071  377.040   10.117      ?      ? 
1 1 1    3   34    1 o  252.129   4.3285  638.428   21.827      ?      ? 
1 1 1    3   34    2 o  386.301   5.7082  1503.07   44.101      ?      ? 
1 1 1    3   34    3 o  187.397   4.5517  352.704   17.059      ?      ? 
1 1 1    3   34    4 o  164.350   5.0864  271.502   16.719      ?      ? 
1 1 1    3   34    5 o  156.242   5.4112  245.534   16.909      ?      ? 
1 1 1    3   34    6 o  134.014   5.9075  181.025   15.834      ?      ? 
1 1 1    3   34    7 o   88.875   8.5055   80.745   15.119      ?      ? 
1 1 1    3   34    8 o  309.596   5.0584  967.488   31.321      ?      ? 
1 1 1    3   34    9 o  164.176   5.4014  271.864   17.736      ?      ? 
1 1 1    3   34   10 o  122.758   6.8612  152.654   16.845      ?      ? 
1 1 1    3   34   11 o  123.006   7.0782  153.667   17.413      ?      ? 
1 1 1    3   34   12 o   95.332   9.2560   93.259   17.648      ?      ? 
1 1 1    3   34   13 o   89.165   6.9977   82.316   12.410 5.366936 13.99534 
1 1 1    3   34   14 o  229.913   3.6992  533.525   17.001 10.36920 7.398469 
1 1 1    3   34   15 o  109.775   6.0827  123.904   13.274 13.64156 12.16547 
1 1 1    3   34   16 o  194.584   4.0460  380.876   15.710 15.06566 8.092026 
1 1 1    3   34   17 o  142.718   5.0892  206.540   14.522 4.875641 10.17850 
1 1 1    3   34   18 o  140.953   5.1030  200.657   14.359 10.65688 10.20597 
1 1 1    3   34   19 o   56.128   10.193   31.274   13.054 38.48627 20.38680 
1 1 1    3   35    0 o  254.742   2.8856  650.487   14.701      ?      ? 
1 1 1    3   35    1 o  173.794   2.5996  302.627   9.0361      ?      ? 
1 1 1    3   35    2 o  198.033   4.2402  394.130   16.794      ?      ? 
1 1 1    3   35    3 o  191.968   4.4194  370.475   16.968      ?      ? 
1 1 1    3   35    4 o  221.516   4.5672  493.507   20.234      ?      ? 
1 1 1    3   35    5 o  326.382   5.2007  1073.59   33.948      ?      ? 
1 1 1    3   35    6 o  146.700   5.5941  217.292   16.413      ?      ? 
1 1 1    3   35    7 o   98.002   7.9094   97.922   15.503      ?      ? 
1 1 1    3   35    8 o  302.150   5.0660  920.062   30.614      ?      ? 
1 1 1    3   35    9 o  114.224   7.3425  132.645   16.774      ?      ? 
1 1 1    3   35   10 o   95.665   8.9591   93.971   17.141      ?      ? 
1 1 1    3   35   11 o   35.281   14.739   4.7032   17.371      ?      ? 
1 1 1    3   35   12 o  104.630   8.7178  112.161   18.243      ?      ? 
1 1 1    3   35   13 o  167.343   6.0961  283.325   20.403      ?      ? 
1 1 1    3   35   14 o  231.318   5.3074  539.747   24.554      ?      ? 
1 1 1    3   35   15 o  165.886   4.3140  277.800   14.312 -1.798126 8.628079 
1 1 1    3   35   16 o  158.635   4.3073  253.723   13.648 10.75310 8.614550 
1 1 1    3   35   17 o   52.429   9.6857   32.853   11.217 25.77123 19.37148 
1 1 1    3   36    1 o  120.988   2.8565  146.757   6.9120      ?      ? 
1 1 1    3   36    2 o  117.794   5.3537  140.023   12.613      ?      ? 
1 1 1    3   36    3 f  266.366   4.5189  714.227   24.074      ?      ? 
1 1 1    3   36    4 o  172.127   4.7061  298.483   16.201      ?      ? 
1 1 1    3   36    5 o  333.044   5.2228  1119.75   34.788      ?      ? 
1 1 1    3   36    6 o  196.620   4.7937  389.759   18.851      ?      ? 
1 1 1    3   36    7 o   88.352   8.8540   80.153   15.645      ?      ? 
1 1 1    3   36    8 o  208.527   4.8753  438.087   20.332      ?      ? 
1 1 1    3   36    9 o  241.188   4.8590  586.011   23.439      ?      ? 
1 1 1    3   36   10 o  216.008   4.9641  470.355   21.446      ?      ? 
1 1 1    3   36   11 o  103.634   8.2253  109.460   17.048      ?      ? 
1 1 1    3   36   12 o  164.498   5.7388  272.861   18.880      ?      ? 
1 1 1    3   36   13 o  131.201   6.8411  174.378   17.951      ?      ? 
1 1 1    3   36   14 o  121.578   6.9325  151.016   16.857      ?      ? 
1 1 1    3   37    2 o  113.886   3.1131  130.109   7.0908      ?      ? 
1 1 1    3   37    3 o   51.215   11.518   28.370   11.511      ?      ? 
1 1 1    3   37    4 o  156.346   4.5847  246.102   14.336      ?      ? 
1 1 1    3   37    5 o  137.751   5.1974  191.315   14.319      ?      ? 
1 1 1    3   37    6 o  237.067   4.4849  565.139   21.265      ?      ? 
1 1 1    3   37    7 o  177.848   4.7451  318.126   16.878      ?      ? 
1 1 1    3   37    8 o  137.258   5.5645  189.895   15.276      ?      ? 
1 1 1    3   37    9 o   99.290   7.0514   99.946   14.003      ?      ? 
1 1 1    3   37   10 o  102.636   7.0181  107.166   14.406      ?      ? 
1 1 1    3   37   11 o  172.666   4.9326  306.088   17.034      ?      ? 
1 1 1    3   38    3 o   80.571   6.6724   65.919   10.752      ?      ? 
1 1 1    3   38    4 o  104.857   5.5481  111.356   11.635      ?      ? 
1 1 1    3   38    5 o   96.744   5.8542   95.643   11.327      ?      ? 
1 1 1    4    0    3 o  115.772   3.3654  134.385   7.7778 -0.000000 0.000000 
1 1 1    4    0    4 o  316.683   3.2159  1003.26   20.353 -0.000000 0.000000 
1 1 1    4    0    6 f  727.330   7.0592  5297.82  102.641 -0.000000 0.000000 
1 1 1    4    0    7 o  121.485   3.1949  148.419   7.7291 -0.000000 0.000000 
1 1 1    4    0    8 o  125.838   3.2520  158.895   8.1425 -0.000000 0.000000 
1 1 1    4    0    9 o   44.091   9.6641   24.600   7.7095 -0.000000 0.000000 
1 1 1    4    0   10 o   80.362   5.1509   65.771   8.1125 -0.000000 0.000000 
1 1 1    4    0   11 o  477.829   4.7575  2286.89   45.445 -0.000000 0.000000 
1 1 1    4    0   12 o  180.530   3.1118  325.218   11.196 -0.000000 0.000000 
1 1 1    4    0   13 o  171.361   3.3555  294.187   11.475 -0.000000 0.000000 
1 1 1    4    0   14 o  566.396   5.6101  3213.83   63.523 -0.000000 0.000000 
1 1 1    4    0   15 o   99.320   5.6062  100.740   10.982 -0.000000 0.000000 
1 1 1    4    0   16 f  160.377   4.0035  258.355   12.798 -0.000000 0.000000 
1 1 1    4    0   17 o  260.489   3.8183  679.757   19.868 -0.000000 0.000000 
1 1 1    4    0   18 o  404.147   4.4235  1635.18   35.735 -0.000000 0.000000 
1 1 1    4    0   19 o  423.182   4.5738  1792.70   38.685 -0.000000 0.000000 
1 1 1    4    0   20 o   31.022   12.485  -5.0196   16.050 -0.000000 0.000000 
1 1 1    4    0   21 o  219.124   4.7330  481.988   20.672 -0.000000 0.000000 
1 1 1    4    0   22 o  473.904   5.0723  2244.32   47.995 -0.000000 0.000000 
1 1 1    4    0   23 o  176.336   5.4994  313.800   19.266 -0.000000 0.000000 
1 1 1    4    0   25 o   31.502   13.480   0.6745   17.576 -0.000000 0.000000 
1 1 1    4    0   26 o  139.924   6.7032  199.455   18.527 -0.000000 0.000000 
1 1 1    4    0   27 o   83.135   12.123   77.668   17.678 -0.000000 0.000000 
1 1 1    4    0   28 o  265.850   4.3118  708.977   22.863 -0.000000 0.000000 
1 1 1    4    0   29 o  101.045   8.5924  106.948   16.839 -0.000000 0.000000 
1 1 1    4    0   30 o   21.830   10.716 -16.3410   15.637 -0.000000 0.000000 
1 1 1    4    0   31 o  263.415   4.1152  696.734   21.631 -0.000000 0.000000 
1 1 1    4    0   33 o   24.620   11.845  -9.0621   16.586 -0.000000 0.000000 
1 1 1    4    0   34 o   25.795   12.087  -2.5462   15.610 -0.000000 0.000000 
1 1 1    4    0   36 o   26.505   12.316  -3.3464   15.322 -0.000000 0.000000 
1 1 1    4    0   38 o   43.554   14.770   20.886   16.746 -0.000000 0.000000 
1 1 1    4    0   39 o   42.125   15.668   28.157   17.209 -0.000000 0.000000 
1 1 1    4    0   40 o   30.255   13.442   6.2645   17.217 -0.000000 0.000000 
1 1 1    4    0   41 o   86.874   10.558   81.359   16.600 -0.000000 0.000000 
1 1 1    4    1    2 o  309.814   4.4109  960.186   27.331      ?      ? 
1 1 1    4    1    3 o  748.487   7.2521  5612.58  108.562 -2.079346 14.50429 
1 1 1    4    1    4 o  260.239   1.9508  677.297   10.153 -1.770172 3.901572 
1 1 1    4    1    5 o  543.610   3.7472  2956.55   40.740 -0.5130615 7.494341 
1 1 1    4    1    6 o  402.246   2.8360  1618.48   22.815 1.308838 5.672036 
1 1 1    4    1    7 o  310.376   2.3045  962.558   14.295 -8.633270 4.608902 
1 1 1    4    1    8 o  138.469   2.1656  191.816   5.9958 0.8342743 4.331278 
1 1 1    4    1    9 o  191.809   1.9932  367.892   7.6444 5.821991 3.986370 
1 1 1    4    1   10 o   34.622   7.3334   11.585   5.7725 -12.62828 14.66690 
1 1 1    4    1   11 o  203.025   2.0913  411.301   8.4796 -9.759232 4.182572 
1 1 1    4    1   12 o  162.639   2.2862  264.628   7.4358 2.875946 4.572317 
1 1 1    4    1   13 o  133.363   2.7509  177.975   7.3372 -0.2206726 5.501703 
1 1 1    4    1   14 o  315.255   2.5124  994.305   15.841 -1.832825 5.024837 
1 1 1    4    1   15 o  162.838   3.7592  265.284   12.243      ?      ? 
1 1 1    4    1   16 o  144.277   3.0857  208.294   8.9001 -5.399368 6.171429 
1 1 1    4    1   17 f  495.768   3.5759  2458.91   35.451 5.775848 7.151888 
1 1 1    4    1   18 o  390.415   3.0547  1524.83   23.852 1.965424 6.109426 
1 1 1    4    1   19 o  235.403   2.8430  554.401   13.383 0.9932251 5.686067 
1 1 1    4    1   20 o  156.967   3.8840  246.666   12.188 2.958740 7.767960 
1 1 1    4    1   22 o  339.612   4.3468  1153.93   29.524      ?      ? 
1 1 1    4    1   23 o  222.507   3.3261  495.318   14.794 -10.03151 6.652140 
1 1 1    4    1   24 o  116.232   5.6414  135.585   13.083 -9.760391 11.28277 
1 1 1    4    1   25 o  203.701   3.4313  415.279   13.978 -4.138535 6.862693 
1 1 1    4    1   26 o  177.852   3.7918  316.743   13.485 2.645844 7.583515 
1 1 1    4    1   27 o  179.954   3.7602  324.614   13.522 -3.712875 7.520361 
1 1 1    4    1   28 o  198.524   3.4618  394.471   13.731 12.86189 6.923568 
1 1 1    4    1   29 o   89.940   6.5686   81.513   11.792 -7.753548 13.13717 
1 1 1    4    1   30 o   99.975   5.7242  100.873   11.430 3.629326 11.44850 
1 1 1    4    1   31 o   61.425   9.4208   40.225   11.244 -4.495083 18.84160 
1 1 1    4    1   33 o  130.939   4.7685  173.687   12.472 -5.809738 9.537098 
1 1 1    4    1   34 o   87.593   6.4153   78.344   11.191 -7.018684 12.83058 
1 1 1    4    1   35 o  168.383   5.2176  284.367   17.571      ?      ? 
1 1 1    4    1   36 o   98.364   5.6810   98.461   11.174 -2.328079 11.36191 
1 1 1    4    1   37 o  129.547   6.6385  169.361   17.200      ?      ? 
1 1 1    4    1   38 o   45.862   10.078   18.962   11.924 26.44679 20.15682 
1 1 1    4    1   39 o   36.793   10.569   7.3423   12.183 -2.169411 21.13733 
1 1 1    4    1   40 o   86.073   7.1809   76.433   12.359 -0.3876419 14.36189 
1 1 1    4    1   41 o  122.240   4.9941  150.999   12.178 12.37514 9.988211 
1 1 1    4    2    2 o  358.950   5.0392  1289.03   36.176      ?      ? 
1 1 1    4    2    3 o  196.501   2.0439  389.456   7.6336 5.468552 4.087751 
1 1 1    4    2    4 o  162.924   1.6506  265.465   5.3785 -0.3407288 3.301254 
1 1 1    4    2    5 o  316.627   2.2959  1002.49   14.537 -3.849854 4.591886 
1 1 1    4    2    6 o  421.381   2.9579  1775.24   24.917 7.655487 5.915794 
1 1 1    4    2    7 o  366.486   2.6254  1343.38   19.241 3.340790 5.250735 
1 1 1    4    2    8 o  359.285   2.5972  1291.29   18.662 -2.816956 5.194489 
1 1 1    4    2    9 o  437.721   3.0870  1917.36   27.024 1.764740 6.173983 
1 1 1    4    2   10 o  241.897   2.0927  584.837   10.119 6.705597 4.185333 
1 1 1    4    2   11 o  208.860   2.1100  436.263   8.8116 6.595657 4.219944 
1 1 1    4    2   12 o  114.918   2.9389  132.068   6.7522 -3.561440 5.877845 
1 1 1    4    2   13 o  185.083   2.2944  342.677   8.4920 -1.136459 4.588776 
1 1 1    4    2   14 o  235.956   2.2981  556.920   10.844 -2.062134 4.596205 
1 1 1    4    2   15 o  160.365   3.7682  257.285   12.086      ?      ? 
1 1 1    4    2   16 o  303.790   2.5715  923.152   15.623 -2.415558 5.143006 
1 1 1    4    2   17 o  513.718   3.6878  2640.88   37.890 0.4260254E-01 7.375555 
1 1 1    4    2   18 o  282.601   2.7461  798.809   15.520 3.558624 5.492275 
1 1 1    4    2   19 o  170.193   3.4765  289.882   11.826 0.9773254 6.952969 
1 1 1    4    2   20 f  143.513   4.3029  206.226   12.337 8.243790 8.605789 
1 1 1    4    2   21 o  490.157   3.6806  2404.18   36.081 -0.8305969 7.361178 
1 1 1    4    2   22 o  169.232   5.6523  286.642   19.131      ?      ? 
1 1 1    4    2   23 o  241.069   3.2031  581.526   15.443 -0.2420349 6.406239 
1 1 1    4    2   24 o  139.889   4.7159  195.820   13.183 8.081253 9.431882 
1 1 1    4    2   25 o   79.453   7.9261   63.562   12.565 6.697609 15.85219 
1 1 1    4    2   26 o  113.860   5.5052  130.163   12.529 -3.594345 11.01045 
1 1 1    4    2   27 o  221.259   3.2999  490.081   14.599 7.124786 6.599724 
1 1 1    4    2   28 o  210.436   3.3798  443.653   14.224 1.980011 6.759610 
1 1 1    4    2   29 o  162.671   3.8529  265.343   12.525 -8.879395 7.705882 
1 1 1    4    2   30 o  150.402   3.9909  227.122   11.998 6.459427 7.981725 
1 1 1    4    2   31 o   80.156   6.9844   65.311   11.171 -4.015846 13.96871 
1 1 1    4    2   33 f  156.212   4.1205  246.311   12.867 6.822296 8.241054 
1 1 1    4    2   34 o  104.042   5.3667  109.580   11.162 2.844780 10.73346 
1 1 1    4    2   35 o  100.800   7.6477  102.192   15.418      ?      ? 
1 1 1    4    2   36 o   38.445   10.111   10.671   10.962 -13.12470 20.22204 
1 1 1    4    2   37 o   97.764   6.1681   97.791   11.842 22.94369 12.33629 
1 1 1    4    2   38 o  147.515   4.2918  219.747   12.658 1.543961 8.583644 
1 1 1    4    2   39 o   40.965   10.897   14.410   12.116 1.440655 21.79374 
1 1 1    4    2   40 o   36.816   10.517   7.3837   12.147 4.799477 21.03407 
1 1 1    4    2   41 o   73.311   8.2537   56.564   11.731 -12.37283 16.50747 
1 1 1    4    3    2 f  734.070   10.061  5397.93  147.703      ?      ? 
1 1 1    4    3    3 o  374.508   3.2356  1391.40   22.573 -8.414581 6.471252 
1 1 1    4    3    4 o  367.733   2.5930  1350.19   19.046 12.19412 5.185977 
1 1 1    4    3    5 o  212.508   1.8167  451.439   7.7193 -4.204910 3.633496 
1 1 1    4    3    6 o  224.983   1.9047  505.528   8.5632 7.580933 3.809433 
1 1 1    4    3    7 o  259.551   2.0548  673.470   10.663 -5.230621 4.109532 
1 1 1    4    3    8 o  108.399   2.5317  117.596   5.4865 -3.151451 5.063371 
1 1 1    4    3    9 o   94.333   3.0085   89.095   5.6660 -7.164337 6.016997 
1 1 1    4    3   10 o  142.692   2.2782  203.707   6.5014 -0.4121246 4.556405 
1 1 1    4    3   11 o  232.705   2.1298  541.316   9.9083 -6.490738 4.259667 
1 1 1    4    3   12 o  143.516   2.4912  206.105   7.1495 2.660858 4.982375 
1 1 1    4    3   13 o  359.602   2.6869  1293.23   19.317 6.609253 5.373784 
1 1 1    4    3   14 o  142.213   2.8222  202.386   8.0258 1.253906 5.644331 
1 1 1    4    3   15 o  305.982   3.5804  936.617   21.911      ?      ? 
1 1 1    4    3   16 o  237.833   2.4945  565.832   11.866 0.6022644 4.989063 
1 1 1    4    3   17 o  238.257   2.6472  567.777   12.612 5.759827 5.294376 
1 1 1    4    3   18 o  185.887   3.1109  345.685   11.565 0.1185455 6.221718 
1 1 1    4    3   19 o  507.481   3.6981  2574.20   37.501 -12.93390 7.396143 
1 1 1    4    3   20 o   82.777   7.7050   71.791   11.975 23.53898 15.40993 
1 1 1    4    3   21 o  388.808   3.2399  1510.94   25.175 -9.950714 6.479846 
1 1 1    4    3   22 o  471.841   3.5888  2227.20   33.856 -6.584381 7.177544 
1 1 1    4    3   23 o  287.780   3.1064  827.905   17.870 -7.945831 6.212882 
1 1 1    4    3   24 o  234.544   3.2695  550.316   15.332 7.619904 6.538992 
1 1 1    4    3   25 o  108.308   5.8002  117.735   12.556 4.389694 11.60036 
1 1 1    4    3   26 o  138.346   4.6008  191.816   12.728 2.323364 9.201542 
1 1 1    4    3   27 f  174.403   3.8838  304.900   13.490 -20.80965 7.767545 
1 1 1    4    3   28 o  182.920   3.6605  335.382   13.385 -7.931595 7.321000 
1 1 1    4    3   29 o  200.635   3.2874  403.388   13.191 -0.8593597 6.574705 
1 1 1    4    3   30 o   32.044   9.7033  -0.2573   11.099 0.8356686 19.40651 
1 1 1    4    3   31 o  102.259   5.4958  106.041   11.182 -8.721672 10.99157 
1 1 1    4    3   32 o  112.694   8.1233  127.724   18.309      ?      ? 
1 1 1    4    3   34 o  186.799   3.3388  350.489   12.472 -4.048035 6.677647 
1 1 1    4    3   35 o  140.372   5.7232  197.629   16.068      ?      ? 
1 1 1    4    3   36 o   78.124   7.1190   62.820   11.117 1.428436 14.23801 
1 1 1    4    3   37 o  150.995   4.1146  229.048   12.412 6.566483 8.229158 
1 1 1    4    3   38 o   70.371   9.0672   55.024   12.077 -29.38396 18.13437 
1 1 1    4    3   39 o   47.480   11.000   23.766   12.234 -7.422497 21.99917 
1 1 1    4    3   40 o   61.309   10.005   41.370   12.046 8.856213 20.00923 
1 1 1    4    3   41 o   70.707   8.5984   52.880   11.797 -12.25322 17.19687 
1 1 1    4    4    2 f  498.871   6.8907  2490.74   68.751      ?      ? 
1 1 1    4    4    3 o  326.627   2.8736  1064.19   17.581 -2.546631 5.747271 
1 1 1    4    4    4 o  697.336   5.8518  4884.50   77.318 7.280151 11.70361 
1 1 1    4    4    5 o  430.572   3.0086  1854.63   25.908 0.6058350 6.017211 
1 1 1    4    4    6 o  222.405   1.8867  494.724   8.3922 0.2593536 3.773501 
1 1 1    4    4    7 o  321.320   2.3656  1032.75   15.202 2.813202 4.731192 
1 1 1    4    4    8 o  538.199   3.7368  2899.50   40.221 2.855469 7.473536 
1 1 1    4    4    9 o  261.896   2.1366  685.803   11.188 -5.046204 4.273194 
1 1 1    4    4   10 o  416.058   2.9678  1732.20   24.693 3.455994 5.935503 
1 1 1    4    4   11 o  578.646   4.0178  3353.33   46.498 0.1727905 8.035603 
1 1 1    4    4   12 o  289.134   2.3481  836.339   13.578 3.613739 4.696144 
1 1 1    4    4   13 o  318.302   2.4967  1013.58   15.893 3.647461 4.993424 
1 1 1    4    4   15 f  179.327   2.6443  321.747   9.4825 3.336304 5.288574 
1 1 1    4    4   16 o  184.117   2.7734  339.234   10.207 -7.303055 5.546859 
1 1 1    4    4   17 o  379.616   2.9669  1441.68   22.525 0.6102905 5.933750 
1 1 1    4    4   18 o  305.839   2.7739  935.608   16.966 3.060211 5.547805 
1 1 1    4    4   19 o  341.433   2.8940  1165.99   19.759 -3.928619 5.788069 
1 1 1    4    4   21 f  336.152   3.0858  1130.33   20.744 -3.704803 6.171513 
1 1 1    4    4   22 o  514.825   3.8222  2651.88   39.343 -8.207489 7.644320 
1 1 1    4    4   23 o  143.133   4.6044  205.095   13.179 -2.666290 9.208792 
1 1 1    4    4   24 o  265.650   3.1005  706.083   16.470 -3.091431 6.201087 
1 1 1    4    4   25 o  261.029   3.1055  682.089   16.210 -5.239166 6.211084 
1 1 1    4    4   26 o  253.633   3.1103  643.926   15.773 1.704803 6.220675 
1 1 1    4    4   27 o  112.395   5.6357  127.107   12.611 -12.96951 11.27138 
1 1 1    4    4   28 o  120.537   5.1810  146.078   12.470 8.899765 10.36205 
1 1 1    4    4   29 o  114.495   5.2172  131.842   11.944 -1.892548 10.43448 
1 1 1    4    4   30 o  177.643   3.5294  316.662   12.538 -1.197845 7.058822 
1 1 1    4    4   31 o  148.848   4.0137  222.609   11.943 0.9711304 8.027354 
1 1 1    4    4   33 o  108.444   5.4391  119.046   11.749 13.31236 10.87814 
1 1 1    4    4   34 o  114.633   5.1965  132.745   11.888 -10.61948 10.39309 
1 1 1    4    4   36 o   43.012   10.538   17.245   11.425 12.38957 21.07567 
1 1 1    4    4   37 o  108.686   5.5957  119.879   12.124 -3.410484 11.19149 
1 1 1    4    4   38 o   37.237   10.541   8.1968   12.045 -3.848763 21.08285 
1 1 1    4    4   39 f  112.023   5.6536  128.029   12.638 1.389473 11.30723 
1 1 1    4    4   40 o   67.075   9.3042   48.842   12.026 1.956543 18.60832 
1 1 1    4    4   41 o  105.355   5.7621  112.984   12.134 4.083229 11.52424 
1 1 1    4    5    2 o  526.923   7.2698  2779.18   76.612      ?      ? 
1 1 1    4    5    3 o  670.765   5.6454  4498.36   71.218 -2.562195 11.29077 
1 1 1    4    5    4 o  451.819   3.8484  2045.47   32.823 1.953552 7.696750 
1 1 1    4    5    5 o  245.323   1.9368  601.941   9.5027 -0.2909241 3.873627 
1 1 1    4    5    6 o  246.428   1.9738  606.757   9.7214 6.888199 3.947624 
1 1 1    4    5    7 o  259.611   2.0614  674.010   10.701 -3.076172 4.122740 
1 1 1    4    5    8 o   92.808   2.9315   86.323   5.4331 3.833900 5.862990 
1 1 1    4    5    9 o  119.864   2.4431  143.734   5.8552 -0.4673615 4.886254 
1 1 1    4    5   10 o  141.439   2.2922  200.173   6.4828 3.018372 4.584325 
1 1 1    4    5   11 o  163.986   2.2273  268.764   7.3011 -5.324677 4.454676 
1 1 1    4    5   12 o  251.768   2.2276  634.232   11.215 3.808044 4.455208 
1 1 1    4    5   13 o  102.799   3.5746  105.517   7.3396 -6.914391 7.149267 
1 1 1    4    5   14 o  296.903   2.4680  881.871   14.655 0.3467407 4.935967 
1 1 1    4    5   15 o  410.548   3.0395  1686.37   24.957 -0.5737000 6.078941 
1 1 1    4    5   16 o  194.600   2.6940  378.728   10.482 2.279236 5.387936 
1 1 1    4    5   17 o  384.751   3.0047  1480.83   23.121 3.000397 6.009489 
1 1 1    4    5   18 o  148.281   3.6212  220.059   10.731 7.545624 7.242400 
1 1 1    4    5   19 f  146.147   3.8040  213.743   11.118 1.742157 7.608043 
1 1 1    4    5   21 o  345.058   4.3884  1191.20   30.285      ?      ? 
1 1 1    4    5   22 f  287.366   3.1067  826.575   17.849 -7.343994 6.213368 
1 1 1    4    5   23 o  117.234   5.5166  138.756   12.837 -11.00453 11.03314 
1 1 1    4    5   24 f  142.747   4.5641  204.019   13.013 1.448013 9.128122 
1 1 1    4    5   25 o  186.433   3.6914  347.722   13.745 3.278488 7.382724 
1 1 1    4    5   26 o   55.136   10.503   31.345   12.179 16.92509 21.00643 
1 1 1    4    5   27 o  195.569   3.5076  383.121   13.691 -16.57149 7.015117 
1 1 1    4    5   28 o   82.973   7.2779   69.863   12.007 10.17799 14.55589 
1 1 1    4    5   29 o  209.570   3.2106  439.816   13.451 7.648544 6.421268 
1 1 1    4    5   30 o  160.766   3.7737  259.425   12.131 2.300552 7.547370 
1 1 1    4    5   31 o  237.173   3.0255  564.345   14.348 -1.683365 6.051091 
1 1 1    4    5   33 o   93.307   6.1271   88.248   11.400 0.9951019 12.25416 
1 1 1    4    5   34 o   75.062   8.3631   59.836   12.177 -11.86895 16.72618 
1 1 1    4    5   35 o   47.001   10.889   21.483   12.150 11.20746 21.77835 
1 1 1    4    5   36 o  104.719   5.7272  111.866   11.846 21.91602 11.45449 
1 1 1    4    5   37 o   40.671   10.781   13.514   12.054 -5.790558 21.56254 
1 1 1    4    5   38 o   93.980   6.6129   91.036   12.373 -6.846420 13.22584 
1 1 1    4    5   39 o   59.055   10.537   38.634   12.517 11.07676 21.07366 
1 1 1    4    5   40 o   34.382   10.242   3.1483   12.088 -2.359772 20.48385 
1 1 1    4    5   41 o   34.303   10.068   1.7785   11.983 10.87200 20.13692 
1 1 1    4    6    1 o  402.756   5.6227  1623.21   45.292      ?      ? 
1 1 1    4    6    2 o  385.375   5.4169  1486.10   41.751      ?      ? 
1 1 1    4    6    3 o  595.704   5.0396  3525.60   55.968 -12.29785 10.07921 
1 1 1    4    6    4 o  323.036   2.8588  1052.71   17.534 8.812927 5.717652 
1 1 1    4    6    5 o  376.317   2.6641  1416.70   20.050 -1.898834 5.328186 
1 1 1    4    6    6 o  265.105   2.0616  703.021   10.931 0.1722412 4.123166 
1 1 1    4    6    7 o  147.827   1.9693  218.593   5.8222 0.6269379 3.938553 
1 1 1    4    6    8 o  389.136   2.7796  1513.95   21.619 -9.293121 5.559239 
1 1 1    4    6    9 o  222.778   2.0291  496.488   9.0405 0.2140961 4.058125 
1 1 1    4    6   10 o  114.450   2.6707  130.785   6.1062 -5.505562 5.341437 
1 1 1    4    6   11 o  215.355   2.1394  463.895   9.2125 6.440186 4.278803 
1 1 1    4    6   12 o  303.630   2.4160  922.398   14.670 2.119019 4.831903 
1 1 1    4    6   13 o  188.489   2.4047  355.553   9.0575 9.589828 4.809362 
1 1 1    4    6   14 o  200.372   2.4433  401.522   9.7898 4.467468 4.886538 
1 1 1    4    6   15 o  216.978   2.4911  470.944   10.809 0.1353455 4.982206 
1 1 1    4    6   16 o  106.767   4.3217  114.051   9.2260 3.224045 8.643374 
1 1 1    4    6   17 o  497.663   3.6005  2477.80   35.834 4.042633 7.201089 
1 1 1    4    6   18 o  381.875   2.9856  1458.67   22.800 4.527161 5.971207 
1 1 1    4    6   19 o  307.964   2.8246  948.755   17.397 -1.361145 5.649114 
1 1 1    4    6   20 o  298.499   4.1846  891.414   24.982      ?      ? 
1 1 1    4    6   21 o  257.149   4.2864  661.566   22.045      ?      ? 
1 1 1    4    6   22 o   65.636   9.9504   44.868   12.665 6.141926 19.90072 
1 1 1    4    6   23 o  159.129   4.1621  253.680   13.229 -1.842743 8.324252 
1 1 1    4    6   24 o  163.301   4.0737  267.211   13.292 -2.214859 8.147479 
1 1 1    4    6   25 f  121.372   5.3157  147.213   12.844 16.50189 10.63135 
1 1 1    4    6   26 o   53.737   10.540   29.164   12.223 19.43420 21.08057 
1 1 1    4    6   28 o  152.165   4.0706  233.039   12.347 -8.764404 8.141238 
1 1 1    4    6   29 o  202.460   3.2604  411.025   13.184 -1.295563 6.520747 
1 1 1    4    6   30 o   26.443   8.5478 -20.1613   11.081 14.07682 17.09552 
1 1 1    4    6   32 o  195.510   5.1842  383.032   20.271      ?      ? 
1 1 1    4    6   33 o  131.935   4.3555  174.445   11.462 10.82583 8.711021 
1 1 1    4    6   34 o   21.088   7.4002 -38.2248   11.739 -4.733452 14.80044 
1 1 1    4    6   36 o  122.943   5.0259  153.127   12.346 6.754997 10.05178 
1 1 1    4    6   37 o   27.536   8.9970 -13.9616   12.009 -5.800365 17.99397 
1 1 1    4    6   38 o   95.772   9.4175   94.277   18.039      ?      ? 
1 1 1    4    6   39 o   31.327   9.7761  -4.4164   12.330 -5.723267 19.55215 
1 1 1    4    6   40 o   88.811   7.0918   81.024   12.423 19.93160 14.18363 
1 1 1    4    6   41 o   51.920   12.673   28.651   16.805 -17.25030 25.34561 
1 1 1    4    7    1 o  589.289   8.1133  3478.84   95.622      ?      ? 
1 1 1    4    7    2 o  661.448   9.0949  4385.46  120.316      ?      ? 
1 1 1    4    7    3 o  499.203   4.2383  2489.48   39.735 -2.897003 8.476518 
1 1 1    4    7    4 o  359.244   3.1486  1294.95   21.293 2.996735 6.297214 
1 1 1    4    7    5 o  434.432   3.7530  1885.95   30.561 -2.064728 7.506032 
1 1 1    4    7    6 o  348.079   2.5112  1212.10   17.481 3.179016 5.022469 
1 1 1    4    7    7 o  134.876   2.0616  181.932   5.5604 2.678940 4.123195 
1 1 1    4    7    8 o  182.323   1.9454  332.567   7.0927 -1.532379 3.890718 
1 1 1    4    7    9 o  306.601   2.3396  940.371   14.345 3.880585 4.679188 
1 1 1    4    7   10 o  188.838   2.0920  356.535   7.8983 -4.188385 4.183944 
1 1 1    4    7   11 o  181.833   2.2106  330.676   8.0297 -1.006210 4.421158 
1 1 1    4    7   12 o  283.736   2.3597  805.382   13.390 3.029083 4.719313 
1 1 1    4    7   13 o  370.186   2.7784  1371.02   20.570 1.966003 5.556812 
1 1 1    4    7   14 f  309.642   2.5508  958.477   15.789 6.609192 5.101619 
1 1 1    4    7   15 o  270.276   2.4834  730.739   13.424 -1.120941 4.966716 
1 1 1    4    7   16 o  386.175   2.9677  1491.69   22.919 4.024536 5.935465 
1 1 1    4    7   17 o  177.596   4.3222  315.536   15.352      ?      ? 
1 1 1    4    7   18 o  163.183   3.3358  267.020   10.856 5.836838 6.671509 
1 1 1    4    7   19 o  225.979   4.1707  510.884   18.850      ?      ? 
1 1 1    4    7   20 o  474.448   3.5762  2252.24   33.932 -3.338470 7.152321 
1 1 1    4    7   21 o   77.450   11.088   60.215   17.174      ?      ? 
1 1 1    4    7   22 o  349.591   4.3569  1222.87   30.463      ?      ? 
1 1 1    4    7   23 o  139.928   4.5592  195.981   12.739 -11.01503 9.118339 
1 1 1    4    7   24 o  120.512   5.2287  145.456   12.594 6.170059 10.45750 
1 1 1    4    7   25 o  122.497   5.1076  150.624   12.486 -1.590263 10.21522 
1 1 1    4    7   26 o  195.480   3.5283  382.170   13.778 5.212860 7.056694 
1 1 1    4    7   27 o  465.146   3.5503  2167.26   33.012 6.368835 7.100560 
1 1 1    4    7   28 o  213.498   3.1971  455.795   13.627 6.758362 6.394136 
1 1 1    4    7   29 o  143.842   4.1233  207.663   11.834 0.8478546 8.246664 
1 1 1    4    7   30 o   86.638   6.4762   75.424   11.178 7.451324 12.95246 
1 1 1    4    7   33 o  212.541   3.1199  451.367   13.203 10.41347 6.239840 
1 1 1    4    7   35 o   38.662   10.428   11.167   11.522 -8.006161 20.85683 
1 1 1    4    7   36 o  116.610   5.1589  137.682   11.981 0.9203796 10.31779 
1 1 1    4    7   37 o   30.946   9.5639  -5.3685   11.773 10.62332 19.12785 
1 1 1    4    7   38 o  116.356   5.2779  136.914   12.243 8.122086 10.55586 
1 1 1    4    7   39 o   47.031   11.043   23.270   12.115 2.559879 22.08599 
1 1 1    4    7   40 o   51.601   10.927   28.668   12.145 3.868416 21.85309 
1 1 1    4    7   41 o   27.810   9.5589  -2.1820   16.994 2.074314 19.11776 
1 1 1    4    8    0 o  279.909   4.0348  783.942   22.587      ?      ? 
1 1 1    4    8    1 f  321.991   4.6490  1037.58   29.938      ?      ? 
1 1 1    4    8    2 o  166.354   3.5392  276.866   11.775      ?      ? 
1 1 1    4    8    3 o  165.132   2.1830  275.631   6.4377 3.885880 4.366090 
1 1 1    4    8    4 o  217.861   2.3380  474.234   9.2369 -0.6244659 4.675949 
1 1 1    4    8    5 f  308.698   2.8505  952.056   16.335 -1.267456 5.700924 
1 1 1    4    8    6 o  546.014   3.7814  2985.02   41.293 -1.680298 7.562749 
1 1 1    4    8    7 o  212.533   1.9298  451.819   8.2017 -0.9343414 3.859650 
1 1 1    4    8    8 o  147.646   2.0993  217.410   6.1863 13.18222 4.198646 
1 1 1    4    8    9 o  200.866   2.0195  403.685   8.1117 3.456223 4.039007 
1 1 1    4    8   10 o  180.974   2.1485  327.457   7.7737 -3.670685 4.297060 
1 1 1    4    8   11 o  169.512   2.3019  287.465   7.8040 -1.247543 4.603860 
1 1 1    4    8   12 o  510.074   3.5952  2603.94   36.676 -1.934174 7.190360 
1 1 1    4    8   13 o  134.391   2.9926  180.669   8.0425 -3.032562 5.985162 
1 1 1    4    8   14 o  468.348   3.3673  2193.47   31.527 9.249634 6.734516 
1 1 1    4    8   15 o  378.090   2.8987  1430.04   21.918 -1.407501 5.797420 
1 1 1    4    8   16 o  277.093   2.6537  768.037   14.706 0.2496643 5.307489 
1 1 1    4    8   17 o  203.161   2.8723  413.259   11.658 4.472992 5.744664 
1 1 1    4    8   18 o  195.806   3.0998  383.679   12.096 0.5997314 6.199691 
1 1 1    4    8   19 o  150.928   5.4954  227.966   16.588      ?      ? 
1 1 1    4    8   21 o  218.067   4.5245  475.870   19.733      ?      ? 
1 1 1    4    8   23 o  205.133   3.3698  421.122   13.817 1.122894 6.739566 
1 1 1    4    8   24 o  137.528   4.6145  190.039   12.641 -4.530975 9.229007 
1 1 1    4    8   25 o  195.883   3.4516  384.197   13.504 0.4963684 6.903116 
1 1 1    4    8   26 o  113.086   5.5567  127.943   12.510 15.29240 11.11342 
1 1 1    4    8   27 o   75.443   8.2264   59.153   11.958 -11.94794 16.45275 
1 1 1    4    8   28 o   48.101   10.633   23.382   11.416 5.894703 21.26654 
1 1 1    4    8   29 f  102.260   5.6316  106.978   11.337 -17.84962 11.26327 
1 1 1    4    8   30 o  203.117   3.1846  413.015   12.915 6.452682 6.369147 
1 1 1    4    8   32 o   96.557   5.9067   96.093   11.233 -8.584183 11.81349 
1 1 1    4    8   33 o  125.032   4.6973  156.647   11.688 8.418045 9.394650 
1 1 1    4    8   34 o  165.279   5.4465  273.932   18.004      ?      ? 
1 1 1    4    8   35 o  113.288   5.0326  130.547   11.319 -3.241890 10.06522 
1 1 1    4    8   36 o   85.955   6.7973   74.557   11.598 6.321396 13.59450 
1 1 1    4    8   37 o  142.894   4.4336  209.870   12.435 -16.91129 8.867167 
1 1 1    4    8   38 o   88.878   6.9411   80.561   12.242 6.284332 13.88216 
1 1 1    4    8   39 o   52.514   10.947   29.744   12.212 7.507618 21.89485 
1 1 1    4    8   40 o  105.203   5.7957  111.912   12.154 7.705490 11.59148 
1 1 1    4    9    0 o  274.201   2.8594  737.849   15.427 -28.11676 5.718795 
1 1 1    4    9    1 o  268.586   4.0762  721.892   21.896      ?      ? 
1 1 1    4    9    2 o  264.785   4.0936  701.612   21.678      ?      ? 
1 1 1    4    9    3 o  322.115   2.8843  1028.11   17.123 -7.999359 5.768623 
1 1 1    4    9    4 o  228.074   2.4117  518.631   9.9246 -1.789703 4.823387 
1 1 1    4    9    5 o  255.743   2.5516  660.233   12.128 6.278229 5.103239 
1 1 1    4    9    6 o  141.460   1.9203  199.431   5.4227 9.862961 3.840514 
1 1 1    4    9    7 o  351.944   2.5489  1239.15   17.939 4.014404 5.097802 
1 1 1    4    9    8 o   85.251   3.1600   72.806   5.3713 8.519043 6.320002 
1 1 1    4    9    9 o  275.345   2.2144  758.385   12.194 -2.511963 4.428723 
1 1 1    4    9   10 o  115.498   2.8097  133.475   6.4901 -0.3365326 5.619479 
1 1 1    4    9   11 o  156.950   2.4847  244.953   7.7475 -25.58455 4.969315 
1 1 1    4    9   12 o  335.974   2.6129  1129.22   17.557 -1.084686 5.225786 
1 1 1    4    9   13 o  341.298   2.6641  1165.08   18.183 4.059875 5.328240 
1 1 1    4    9   14 o  170.574   2.7516  290.753   9.3818 6.527466 5.503128 
1 1 1    4    9   15 o  217.111   2.6454  470.866   11.478 7.962601 5.290838 
1 1 1    4    9   16 o  412.394   3.1213  1701.35   25.743 -2.612244 6.242699 
1 1 1    4    9   17 o   68.262   7.8532   47.126   10.119 -27.94412 15.70633 
1 1 1    4    9   18 o  450.543   4.8422  2031.06   43.632      ?      ? 
1 1 1    4    9   19 o  543.533   3.9410  2955.79   42.831 -6.056458 7.881953 
1 1 1    4    9   20 o  185.960   3.5420  345.810   13.168 -6.172821 7.083923 
1 1 1    4    9   21 o  250.926   4.3089  630.006   21.624      ?      ? 
1 1 1    4    9   22 o  405.786   3.2521  1647.88   26.392 -2.821808 6.504233 
1 1 1    4    9   23 o  166.159   3.9419  276.562   13.075 -0.8242950 7.883787 
1 1 1    4    9   24 o  203.263   3.4126  413.550   13.840 0.9636383 6.825149 
1 1 1    4    9   25 o  268.417   3.0313  721.710   16.258 -4.183624 6.062601 
1 1 1    4    9   26 o  278.125   3.0399  774.881   16.901 -10.11392 6.079788 
1 1 1    4    9   27 o  136.971   4.3451  188.127   11.894 3.264236 8.690283 
1 1 1    4    9   28 o  115.416   4.9383  133.928   11.391 0.3106689 9.876573 
1 1 1    4    9   29 o   74.813   7.4256   57.516   10.978 -8.589996 14.85127 
1 1 1    4    9   30 o   94.696   5.9403   90.425   11.219 5.739388 11.88068 
1 1 1    4    9   32 o   86.002   6.4232   75.215   10.977 -0.9847488 12.84639 
1 1 1    4    9   33 o  119.180   4.9159  144.138   11.689 2.052269 9.831742 
1 1 1    4    9   34 o   83.010   6.9614   70.556   11.334 -18.98780 13.92276 
1 1 1    4    9   35 o   75.702   7.3563   59.406   11.085 -3.598122 14.71252 
1 1 1    4    9   36 o  123.646   4.8156  153.422   11.869 10.62993 9.631140 
1 1 1    4    9   37 o   28.270   9.1947 -10.9382   11.930 -0.8731918 18.38945 
1 1 1    4    9   38 o   66.557   9.6675   48.457   12.313 -0.4061356 19.33506 
1 1 1    4    9   39 o   33.719   10.081   1.2521   12.204 -6.563654 20.16283 
1 1 1    4    9   40 o   96.117   6.4671   95.206   12.244 -4.706825 12.93423 
1 1 1    4   10    0 o  231.221   2.5642  527.900   11.710 -18.33307 5.128334 
1 1 1    4   10    1 o  264.795   2.8054  700.016   14.809 -7.303467 5.610816 
1 1 1    4   10    2 o  296.092   4.4232  877.482   26.193      ?      ? 
1 1 1    4   10    3 o  241.587   2.3888  588.210   10.679 4.743393 4.777539 
1 1 1    4   10    4 o  451.771   3.9034  2017.08   32.557 -14.96143 7.806893 
1 1 1    4   10    5 o  188.376   2.4387  362.912   8.2513 9.739532 4.877329 
1 1 1    4   10    6 o  438.486   3.8021  1923.66   31.286 -0.8314209 7.604241 
1 1 1    4   10    7 o  361.310   2.6100  1306.19   18.860 -1.517914 5.219911 
1 1 1    4   10    8 o  199.819   1.9695  399.285   7.8694 2.918640 3.939034 
1 1 1    4   10    9 o  177.952   2.1186  316.604   7.5381 4.496552 4.237172 
1 1 1    4   10   10 o  189.418   3.0672  358.904   11.620      ?      ? 
1 1 1    4   10   11 o  164.109   2.4628  269.344   8.0818 -4.751404 4.925697 
1 1 1    4   10   12 o  103.705   3.7089  107.885   7.6569 -12.11517 7.417794 
1 1 1    4   10   13 o  290.317   2.5011  843.066   14.522 1.616730 5.002190 
1 1 1    4   10   14 f  306.575   2.6127  940.144   16.019 2.530579 5.225327 
1 1 1    4   10   15 o  199.083   2.7414  396.579   10.912 5.571564 5.482710 
1 1 1    4   10   16 o  328.905   2.7652  1082.41   18.185 3.459320 5.530435 
1 1 1    4   10   17 o  128.109   4.2143  164.129   10.747 -1.036682 8.428650 
1 1 1    4   10   18 o  401.812   4.4674  1615.35   35.901      ?      ? 
1 1 1    4   10   19 o  677.999   4.7692  4601.11   64.660 -7.049622 9.538415 
1 1 1    4   10   20 o  175.203   3.6657  307.375   12.836 7.281754 7.331341 
1 1 1    4   10   21 o  298.216   2.9903  888.878   17.824 9.615173 5.980627 
1 1 1    4   10   22 f  154.008   4.1057  237.618   12.641 -3.360779 8.211411 
1 1 1    4   10   23 o  174.492   3.7157  304.931   12.964 -1.102997 7.431364 
1 1 1    4   10   24 o  370.755   3.1149  1374.34   23.081 -13.76193 6.229753 
1 1 1    4   10   25 o  295.574   2.9936  873.716   17.669 5.076111 5.987247 
1 1 1    4   10   26 o  109.473   5.4604  120.532   11.909 -0.3564072 10.92079 
1 1 1    4   10   27 o   41.398   10.549   14.793   11.194 -1.592922 21.09881 
1 1 1    4   10   28 o  142.019   4.0510  202.961   11.480 -7.133041 8.102071 
1 1 1    4   10   29 o  126.184   4.3666  159.881   10.995 2.550987 8.733128 
1 1 1    4   10   30 f   17.899   9.0494 -54.9453   16.026      ?      ? 
1 1 1    4   10   32 o   34.047   9.8738   4.6709   10.828 -2.956646 19.74762 
1 1 1    4   10   34 o  114.200   4.9840  132.413   11.356 -3.737541 9.968067 
1 1 1    4   10   35 o   47.246   10.526   23.658   11.051 1.696442 21.05254 
1 1 1    4   10   36 o  105.439   5.5684  113.597   11.718 0.8951569E-01 11.13681 
1 1 1    4   10   37 o   54.918   10.561   33.369   11.886 -0.4660187 21.12293 
1 1 1    4   10   38 o   70.746   8.7409   52.965   12.054 10.95262 17.48170 
1 1 1    4   10   39 o   55.895   10.552   34.654   12.000 -3.094639 21.10435 
1 1 1    4   10   40 o   71.269   12.039   59.124   16.830 -5.831017 24.07737 
1 1 1    4   11    0 f  209.699   2.4665  439.835   10.295 -0.7149506 4.932974 
1 1 1    4   11    1 o  211.868   2.5095  447.781   10.596 25.22745 5.018947 
1 1 1    4   11    2 o  351.969   3.5477  1239.13   24.944 -6.202454 7.095432 
1 1 1    4   11    3 o  349.169   3.5396  1219.25   24.678 -6.290558 7.079286 
1 1 1    4   11    4 o  205.901   2.4021  428.925   8.8574 5.280518 4.804247 
1 1 1    4   11    5 o  396.667   3.4811  1572.96   25.848 -1.388977 6.962193 
1 1 1    4   11    6 o  257.265   4.4305  662.391   22.796      ?      ? 
1 1 1    4   11    7 o  733.679   5.0596  5392.74   74.233 7.125427 10.11912 
1 1 1    4   11    8 o   66.822   4.1912   44.726   5.4813 18.41768 8.382439 
1 1 1    4   11    9 o  414.700   2.9709  1719.99   24.632 6.689484 5.941724 
1 1 1    4   11   10 o  410.710   2.9696  1686.59   24.381 8.000305 5.939270 
1 1 1    4   11   11 o  389.189   2.8752  1515.28   22.379 2.608948 5.750337 
1 1 1    4   11   12 f  383.619   2.8731  1470.00   22.021 12.56393 5.746166 
1 1 1    4   11   13 o  246.607   2.4404  608.081   12.031 -3.028885 4.880774 
1 1 1    4   11   14 o  631.163   4.4147  3987.13   55.728 1.526306 8.829382 
1 1 1    4   11   15 o  356.640   2.8493  1272.50   20.322 2.947266 5.698558 
1 1 1    4   11   16 o  239.717   2.7632  572.193   13.212 -14.96310 5.526494 
1 1 1    4   11   17 o  435.873   4.6640  1900.90   40.658      ?      ? 
1 1 1    4   11   18 o  295.392   4.0995  872.914   24.219      ?      ? 
1 1 1    4   11   19 o  132.710   4.5401  176.616   12.027 -9.180374 9.080154 
1 1 1    4   11   20 o  234.304   3.0586  549.446   14.329 -3.345444 6.117227 
1 1 1    4   11   21 o  105.278   5.7279  111.123   12.050 5.819702 11.45588 
1 1 1    4   11   22 f  100.357   5.9488  101.016   11.938 2.228111 11.89761 
1 1 1    4   11   23 o  220.808   3.1767  487.868   14.025 7.531265 6.353468 
1 1 1    4   11   24 o  148.686   4.2035  221.691   12.491 -2.912231 8.406939 
1 1 1    4   11   25 o  112.923   5.3329  127.486   12.012 11.24316 10.66576 
1 1 1    4   11   26 o   26.545   8.7270 -13.8807   11.169 1.039047 17.45391 
1 1 1    4   11   27 o  247.732   2.9044  615.042   14.386 -5.136765 5.808768 
1 1 1    4   11   28 o  129.334   4.3624  168.474   11.261 -4.677071 8.724816 
1 1 1    4   11   29 o  118.151   4.7806  142.670   11.130 -16.76035 9.561142 
1 1 1    4   11   31 o   67.265   8.5843   48.356   11.134 -12.67236 17.16863 
1 1 1    4   11   32 o   39.560   9.9590   12.947   10.724 -13.55135 19.91800 
1 1 1    4   11   33 o  151.145   3.8747  226.980   11.533 37.11719 7.749432 
1 1 1    4   11   34 o   26.299   8.6060 -12.0378   10.819 -2.850090 17.21210 
1 1 1    4   11   35 o  124.138   4.6243  156.100   11.397 -4.795807 9.248687 
1 1 1    4   11   36 o   83.559   6.9821   72.081   11.554 -2.643715 13.96423 
1 1 1    4   11   37 o   42.411   10.790   17.038   11.626 0.4082794 21.57943 
1 1 1    4   11   38 o   98.027   6.2074   98.446   12.097 -0.2590714 12.41482 
1 1 1    4   11   39 o   88.041   6.8636   79.358   12.030 0.9971619E-02 13.72728 
1 1 1    4   12    0 f  229.434   2.5965  526.059   11.864 -2.950424 5.193078 
1 1 1    4   12    1 o  278.209   2.9256  772.761   16.216 -7.069794 5.851159 
1 1 1    4   12    2 f  243.851   2.7076  592.367   13.072 -7.308487 5.415223 
1 1 1    4   12    3 o  167.021   2.6116  280.284   8.3407 2.433716 5.223248 
1 1 1    4   12    4 o  349.974   5.1653  1226.13   36.154      ?      ? 
1 1 1    4   12    5 o  260.847   2.6446  692.608   12.868 13.02344 5.289163 
1 1 1    4   12    6 o  157.715   2.7843  240.872   7.5391 -9.743027 5.568648 
1 1 1    4   12    7 o  252.396   4.5468  637.475   22.952      ?      ? 
1 1 1    4   12    8 o  407.142   2.9150  1658.47   23.736 -1.213776 5.829967 
1 1 1    4   12    9 o  189.247   2.1009  358.021   7.9474 3.104858 4.201891 
1 1 1    4   12   10 o  265.760   2.2746  706.447   12.090 -1.796387 4.549148 
1 1 1    4   12   11 o  318.177   2.5337  1012.28   16.120 6.852905 5.067415 
1 1 1    4   12   12 o  941.801   6.4802  8884.49  122.037 11.37689 12.96037 
1 1 1    4   12   13 o  322.516   2.6470  1039.31   17.064 11.86307 5.294052 
1 1 1    4   12   14 o  301.235   2.6454  907.487   15.936 6.521057 5.290885 
1 1 1    4   12   15 o  454.513   3.3445  2066.96   30.402 0.2325745 6.688982 
1 1 1    4   12   18 o  373.987   3.0862  1399.18   23.081 4.572296 6.172316 
1 1 1    4   12   19 o   49.373   10.682   24.562   11.598 -5.214020 21.36475 
1 1 1    4   12   20 o  157.882   5.6992  249.565   17.996      ?      ? 
1 1 1    4   12   21 o  409.424   3.2461  1677.77   26.580 -2.697052 6.492148 
1 1 1    4   12   22 o   85.095   6.8937   72.733   11.730 2.155792 13.78747 
1 1 1    4   12   23 o  188.471   3.4444  355.606   12.977 1.852417 6.888855 
1 1 1    4   12   24 o  108.614   5.7084  120.901   12.117 -23.53103 11.41679 
1 1 1    4   12   25 o  125.158   4.7369  157.738   11.822 -6.228683 9.473772 
1 1 1    4   12   26 o  153.893   3.7598  237.535   11.560 -0.9262543 7.519538 
1 1 1    4   12   27 o   72.174   8.0228   55.595   10.852 -22.80845 16.04559 
1 1 1    4   12   28 f  199.056   3.1631  398.188   12.562 -7.162201 6.326111 
1 1 1    4   12   29 o   88.645   6.6935   79.291   11.774 15.65005 13.38705 
1 1 1    4   12   31 o   50.170   9.6807   27.077   10.485 -17.39311 19.36132 
1 1 1    4   12   32 o   66.418   8.7278   50.010   11.022 -22.25269 17.45556 
1 1 1    4   12   33 o   31.034   9.2461  -5.0341   10.772 15.08722 18.49222 
1 1 1    4   12   34 o   27.605   8.8861  -8.0429   10.741 1.560299 17.77212 
1 1 1    4   12   35 o   50.187   10.226   25.601   11.197 18.38268 20.45161 
1 1 1    4   12   36 o   34.745   9.9749   1.2862   11.516 15.84053 19.94977 
1 1 1    4   12   37 o  142.416   4.4267  206.019   12.477 -3.084671 8.853411 
1 1 1    4   12   38 o   23.699   8.0872 -26.7323   11.856 -4.480822 16.17447 
1 1 1    4   12   39 o  100.669   5.9467  102.628   11.914 14.05523 11.89344 
1 1 1    4   13    0 o  287.068   3.0240  822.593   17.314 -9.031403 6.047946 
1 1 1    4   13    1 o  379.467   3.8138  1435.17   28.860 21.01984 7.627571 
1 1 1    4   13    2 o  288.296   3.0494  829.997   17.509 -6.188690 6.098766 
1 1 1    4   13    3 o  423.000   3.6914  1775.59   28.974 -9.522369 7.382816 
1 1 1    4   13    4 o  331.326   5.0149  1098.70   33.231      ?      ? 
1 1 1    4   13    5 o  413.033   3.6284  1707.24   28.104 0.7476807E-02 7.256812 
1 1 1    4   13    6 o  513.535   7.2174  2641.30   74.128      ?      ? 
1 1 1    4   13    7 o  231.989   2.7027  533.389   11.195 -4.731049 5.405432 
1 1 1    4   13    8 o  785.135   5.4197  6173.64   85.099 5.114380 10.83932 
1 1 1    4   13    9 o  524.640   3.6778  2754.10   38.587 4.376587 7.355567 
1 1 1    4   13   10 o  368.166   2.7536  1355.96   20.276 -0.1187439 5.507256 
1 1 1    4   13   11 o  747.136   5.1687  5586.88   77.215 10.26764 10.33746 
1 1 1    4   13   12 o  322.154   2.6099  1038.19   16.815 1.649902 5.219822 
1 1 1    4   13   13 o  235.964   2.4823  555.659   11.700 14.79694 4.964550 
1 1 1    4   13   14 o  189.543   2.7636  359.295   10.457 15.57069 5.527138 
1 1 1    4   13   16 f  214.171   4.1864  458.888   17.932      ?      ? 
1 1 1    4   13   17 o  138.805   5.9131  192.855   16.415      ?      ? 
1 1 1    4   13   18 o   39.292   9.7115   6.7701   11.349 24.44409 19.42303 
1 1 1    4   13   19 f  178.512   3.5201  318.941   12.567 -0.8638000E-01 7.040104 
1 1 1    4   13   20 o  214.213   3.1208  459.296   13.369 -3.180832 6.241556 
1 1 1    4   13   21 f   72.352   8.1057   53.588   11.363 12.97675 16.21137 
1 1 1    4   13   22 o  147.759   4.0106  218.776   11.850 -2.514755 8.021273 
1 1 1    4   13   24 o  222.287   3.1373  492.967   13.918 13.49118 6.274533 
1 1 1    4   13   25 o  130.767   4.3462  171.562   11.353 1.085602 8.692302 
1 1 1    4   13   26 o  109.173   4.9708  119.681   10.830 2.118202 9.941649 
1 1 1    4   13   27 f  155.078   3.7312  243.676   11.465 -17.79970 7.462334 
1 1 1    4   13   30 o   77.272   7.2008   61.152   10.984 16.90708 14.40166 
1 1 1    4   13   31 o   68.541   7.8322   48.069   10.721 2.374619 15.66440 
1 1 1    4   13   32 o   72.670   10.425   53.434   15.152      ?      ? 
1 1 1    4   13   33 o   94.727   5.7578   92.797   10.714 -18.41964 11.51568 
1 1 1    4   13   34 o   73.514   8.1930   59.375   11.147 -23.28727 16.38601 
1 1 1    4   13   35 o   29.157   9.3039  -6.9132   11.599 -2.247330 18.60789 
1 1 1    4   13   36 o   97.443   6.2588   97.511   12.072 -2.347351 12.51760 
1 1 1    4   13   37 o   37.924   10.492   9.7843   12.014 -7.883663 20.98438 
1 1 1    4   13   38 o   70.746   8.5755   52.950   11.810 -2.493187 17.15108 
1 1 1    4   13   39 o   89.090   6.5316   82.592   11.621 3.009743 13.06317 
1 1 1    4   14    0 o  387.935   3.9096  1502.97   30.288 15.25040 7.819218 
1 1 1    4   14    1 f  597.132   5.8725  3566.69   70.047 -20.88068 11.74492 
1 1 1    4   14    2 f  232.704   2.7561  542.985   12.698 3.859070 5.512177 
1 1 1    4   14    3 o  273.528   4.5354  748.625   24.811      ?      ? 
1 1 1    4   14    4 o  198.282   2.5884  412.289   9.1245 22.00624 5.176890 
1 1 1    4   14    5 o  397.175   5.8001  1578.93   46.073      ?      ? 
1 1 1    4   14    6 o  797.982   6.7592  6370.15  101.623 -4.212769 13.51844 
1 1 1    4   14    7 o  635.605   5.4192  4027.80   64.549 -7.846191 10.83836 
1 1 1    4   14    8 o  240.897   2.8308  590.704   12.387 10.31601 5.661661 
1 1 1    4   14   10 o  451.364   3.2449  2037.46   29.285 7.145233 6.489738 
1 1 1    4   14   11 o  368.731   2.7772  1360.07   20.480 -1.701263 5.554447 
1 1 1    4   14   12 o  645.243   4.4954  4165.24   57.989 -11.67493 8.990876 
1 1 1    4   14   13 o  299.441   2.6029  896.696   15.586 7.500732 5.205758 
1 1 1    4   14   14 f  497.137   3.5965  2456.67   35.592 32.59888 7.192996 
1 1 1    4   14   15 o  321.397   2.8179  1032.23   18.100 -8.934113 5.635784 
1 1 1    4   14   16 o  100.939   7.6759  102.054   15.496      ?      ? 
1 1 1    4   14   17 o  458.661   3.4265  2105.31   31.431 2.078522 6.852905 
1 1 1    4   14   18 o  403.815   3.1699  1631.70   25.601 2.727844 6.339811 
1 1 1    4   14   19 o   76.903   7.2683   59.879   11.022 -15.36913 14.53669 
1 1 1    4   14   20 o   64.390   8.9049   43.382   11.148 -17.42785 17.80970 
1 1 1    4   14   21 o   94.543   5.9546   89.662   11.250 5.367035 11.90929 
1 1 1    4   14   22 o  247.330   2.9553  612.012   14.614 5.629333 5.910542 
1 1 1    4   14   24 o   64.277   8.8290   43.397   11.041 -11.75618 17.65807 
1 1 1    4   14   25 o  109.384   4.9436  120.517   10.789 -5.651817 9.887156 
1 1 1    4   14   26 o  205.126   3.0358  420.926   12.431 6.180450 6.071694 
1 1 1    4   14   27 o  104.496   5.1532  109.646   10.745 5.437378 10.30640 
1 1 1    4   14   29 o  161.079   4.0937  260.161   13.149 2.300110 8.187387 
1 1 1    4   14   30 o  155.469   3.8055  242.678   11.781 2.803391 7.611036 
1 1 1    4   14   31 o   21.869   7.5209 -29.2924   10.843 -7.209936 15.04174 
1 1 1    4   14   32 o   94.087   7.7740   89.319   14.629      ?      ? 
1 1 1    4   14   33 o   34.521   9.4884   5.4346   10.520 -13.57230 18.97673 
1 1 1    4   14   34 o  159.832   3.8506  255.785   12.261 8.384506 7.701291 
1 1 1    4   14   35 o  108.474   5.6346  119.570   12.185 1.594788 11.26916 
1 1 1    4   14   36 o   42.754   11.007   16.917   12.109 3.367641 22.01464 
1 1 1    4   14   37 f   97.874   6.1863   96.995   12.040 10.28555 12.37262 
1 1 1    4   14   38 o  102.693   5.7535  106.907   11.796 8.000755 11.50692 
1 1 1    4   15    0 o  489.956   4.8567  2402.17   47.567 8.466675 9.713309 
1 1 1    4   15    1 o  327.073   3.4111  1070.56   22.311 4.189636 6.822234 
1 1 1    4   15    2 o  427.344   3.7266  1841.88   30.368 11.43179 7.453147 
1 1 1    4   15    3 o  485.012   6.8456  2355.25   66.404      ?      ? 
1 1 1    4   15    4 o  533.244   4.6071  2813.64   45.691 -16.37134 9.214112 
1 1 1    4   15    5 o  186.390   4.7651  347.612   17.763      ?      ? 
1 1 1    4   15    6 o  548.320   4.7047  3017.34   48.866 4.547424 9.409327 
1 1 1    4   15    7 o  366.138   3.3568  1336.04   22.811 -3.732574 6.713516 
1 1 1    4   15    8 o  314.426   3.0891  996.947   18.090 7.024841 6.178114 
1 1 1    4   15    9 o  557.079   5.5297  3105.57   61.610      ?      ? 
1 1 1    4   15   10 o  375.148   2.7933  1406.41   20.941 -9.291992 5.586649 
1 1 1    4   15   11 o  223.981   2.2889  501.306   10.242 4.429306 4.577775 
1 1 1    4   15   12 o  162.656   3.9572  264.669   12.873      ?      ? 
1 1 1    4   15   15 o  519.582   3.7577  2699.56   39.026 12.68799 7.515330 
1 1 1    4   15   16 o  355.630   2.9467  1264.29   20.949 11.67825 5.893389 
1 1 1    4   15   17 o  348.094   4.1569  1212.40   28.940      ?      ? 
1 1 1    4   15   18 o  149.894   3.7132  224.958   11.129 0.6820068 7.426372 
1 1 1    4   15   19 o  116.528   4.7324  136.066   11.029 0.4993668 9.464823 
1 1 1    4   15   20 o  287.690   2.8338  828.345   16.304 1.187256 5.667537 
1 1 1    4   15   21 o  165.174   3.6349  273.081   11.994 2.245621 7.269849 
1 1 1    4   15   22 o  237.768   3.0165  566.356   14.324 -15.85278 6.033083 
1 1 1    4   15   23 o   79.801   7.0686   64.650   11.213 -5.983650 14.13716 
1 1 1    4   15   24 o  223.087   2.9282  498.901   13.054 -7.226242 5.856483 
1 1 1    4   15   25 o  157.425   3.5446  248.516   11.132 0.3643036 7.089255 
1 1 1    4   15   26 o   76.557   6.9409   59.275   10.573 1.944771 13.88188 
1 1 1    4   15   27 o   33.913   9.8515   4.3921   10.791 -2.711315 19.70304 
1 1 1    4   15   28 o  179.089   5.4015  321.274   19.347      ?      ? 
1 1 1    4   15   29 o  107.753   5.5012  118.510   11.720 -6.526886 11.00233 
1 1 1    4   15   30 o  128.166   4.6040  170.124   11.483 -22.43508 9.207935 
1 1 1    4   15   32 o  128.972   4.3258  168.416   11.086 -2.458984 8.651631 
1 1 1    4   15   33 o   27.524   8.8857  -8.9011   10.828 0.5945263 17.77137 
1 1 1    4   15   34 o   36.950   10.360   7.8581   11.556 10.13494 20.71940 
1 1 1    4   15   35 o  130.863   4.7214  174.264   12.258 -4.460251 9.442700 
1 1 1    4   15   36 o   98.939   6.3710  103.081   12.279 -15.76426 12.74208 
1 1 1    4   15   37 o   96.875   6.2056   96.153   11.937 -0.9386444 12.41121 
1 1 1    4   15   38 o  122.482   5.3693  150.550   12.936 10.03494 10.73866 
1 1 1    4   16    0 o  311.704   3.2950  964.178   20.392 -19.89563 6.590065 
1 1 1    4   16    1 o  390.706   3.9797  1524.07   31.042 -14.49377 7.959357 
1 1 1    4   16    2 o  315.690   4.9151  997.156   31.033      ?      ? 
1 1 1    4   16    3 o  412.449   5.9979  1702.52   49.477      ?      ? 
1 1 1    4   16    4 o  405.213   3.6491  1612.09   27.271 -19.23901 7.298295 
1 1 1    4   16    5 o  564.069   4.9744  3093.98   51.897 -41.20679 9.948785 
1 1 1    4   16    6 o  486.730   6.9007  2371.61   67.175      ?      ? 
1 1 1    4   16    7 o  604.439   5.1628  3668.06   59.242 5.531189 10.32565 
1 1 1    4   16    8 o  187.722   2.8363  345.305   8.9317 -6.991104 5.672627 
1 1 1    4   16    9 o  233.145   2.9078  538.943   11.793 -4.152496 5.815505 
1 1 1    4   16   10 o  403.198   2.9474  1626.37   23.767 -0.1726990 5.894763 
1 1 1    4   16   12 o  475.142   3.4439  2255.70   32.691 14.00699 6.887718 
1 1 1    4   16   13 o  436.501   4.5566  1906.29   39.779      ?      ? 
1 1 1    4   16   14 o  153.427   3.3243  235.626   10.197 -4.747391 6.648554 
1 1 1    4   16   15 o  804.715   5.5884  6488.67   89.942 -1.380371 11.17690 
1 1 1    4   16   17 o  373.433   2.9869  1395.44   22.306 -2.008362 5.973706 
1 1 1    4   16   18 o  152.533   3.6432  233.014   11.107 6.940552 7.286415 
1 1 1    4   16   19 o  198.098   3.1015  392.685   12.285 3.292374 6.203043 
1 1 1    4   16   20 o  293.289   2.8328  859.695   16.592 7.806915 5.665608 
1 1 1    4   16   21 o  125.387   6.1386  157.586   15.394      ?      ? 
1 1 1    4   16   22 o  121.187   4.5316  147.346   10.970 0.7188797 9.063141 
1 1 1    4   16   23 o  127.755   4.2395  163.092   10.809 8.442780 8.479043 
1 1 1    4   16   24 o   52.365   9.0712   29.400   10.360 -25.99321 18.14237 
1 1 1    4   16   25 o  398.708   3.1445  1592.90   25.051 7.146545 6.288981 
1 1 1    4   16   26 f   34.628   9.6956   2.8553   10.623 15.33740 19.39126 
1 1 1    4   16   28 o  208.829   3.2322  438.871   13.480 -4.306976 6.464375 
1 1 1    4   16   29 o  115.869   4.6857  134.194   10.790 9.647102 9.371388 
1 1 1    4   16   31 o  129.385   5.8932  168.651   15.250      ?      ? 
1 1 1    4   16   32 o   23.024   7.8561 -22.3640   10.615 4.594452 15.71227 
1 1 1    4   16   33 o   42.496   10.567   16.804   11.055 5.000797 21.13425 
1 1 1    4   16   34 o   24.524   8.1268 -25.3251   11.319 -11.47930 16.25367 
1 1 1    4   16   35 o  102.085   5.8154  106.353   11.780 0.5301666 11.63080 
1 1 1    4   16   36 o   56.214   10.237   35.158   11.646 -8.051441 20.47482 
1 1 1    4   16   37 o  102.479   5.8154  105.948   11.860 8.317543 11.63070 
1 1 1    4   17    0 o  530.697   5.2747  2820.02   55.982 -0.6687012 10.54940 
1 1 1    4   17    1 o  341.070   3.5715  1163.94   24.362 4.419525 7.143036 
1 1 1    4   17    2 o  273.934   4.5655  750.759   25.013      ?      ? 
1 1 1    4   17    3 o  440.990   6.3252  1946.55   55.787      ?      ? 
1 1 1    4   17    4 o  228.011   4.5610  520.152   20.799      ?      ? 
1 1 1    4   17    5 o  125.708   4.1336  165.152   9.9222 25.52141 8.267140 
1 1 1    4   17    6 o   82.361   6.1182   68.379   9.8132 2.351471 12.23638 
1 1 1    4   17    7 o  221.103   4.7945  489.142   21.201      ?      ? 
1 1 1    4   17    8 f  230.355   2.9192  532.279   11.705 1.305023 5.838469 
1 1 1    4   17    9 o  356.418   3.4366  1199.65   21.407 -40.32971 6.873182 
1 1 1    4   17   10 o  278.723   3.3474  777.087   18.660      ?      ? 
1 1 1    4   17   12 o  318.015   2.6388  1011.59   16.782 -3.770599 5.277505 
1 1 1    4   17   13 o  238.732   3.5954  570.184   17.167      ?      ? 
1 1 1    4   17   14 o  442.920   4.6723  1963.13   41.390      ?      ? 
1 1 1    4   17   15 o  176.775   3.1747  312.727   11.221 -0.7188416E-01 6.349437 
1 1 1    4   17   16 o  138.740   3.7495  192.813   10.399 -3.676468 7.498908 
1 1 1    4   17   17 o  226.919   2.8056  515.123   12.728 -9.074341 5.611140 
1 1 1    4   17   18 o  376.022   3.0085  1415.21   22.624 -3.357605 6.016954 
1 1 1    4   17   19 o  205.787   3.0039  424.398   12.347 -11.16991 6.007812 
1 1 1    4   17   20 o  317.575   3.9918  1009.53   25.354      ?      ? 
1 1 1    4   17   21 o  182.704   3.2277  334.018   11.786 5.461029 6.455460 
1 1 1    4   17   22 f   28.083   8.6820  -8.8098   10.225 -11.92517 17.36398 
1 1 1    4   17   23 f  165.602   3.3141  275.392   10.946 -4.555862 6.628148 
1 1 1    4   17   24 o  106.486   4.8358  113.756   10.250 3.278847 9.671634 
1 1 1    4   17   25 o  133.600   4.0934  180.879   10.799 -8.307312 8.186879 
1 1 1    4   17   26 o  196.865   3.3198  389.808   13.025 -6.158737 6.639617 
1 1 1    4   17   27 o  127.404   4.8086  163.211   12.212 -0.7155991 9.617156 
1 1 1    4   17   28 o  132.397   4.2512  175.365   11.202 8.443802 8.502353 
1 1 1    4   17   29 o   24.475   8.0971 -16.4806   10.442 -6.533148 16.19415 
1 1 1    4   17   31 o   75.782   7.0317   59.208   10.466 -1.604172 14.06343 
1 1 1    4   17   32 o   56.432   9.6289   34.566   10.662 -3.325275 19.25783 
1 1 1    4   17   33 o   57.005   9.9222   34.840   11.189 12.44856 19.84432 
1 1 1    4   17   34 o   95.747   5.9328   92.917   11.251 4.952377 11.86557 
1 1 1    4   17   35 o   67.432   8.7822   49.138   11.416 -6.225670 17.56443 
1 1 1    4   17   36 o   87.259   6.5866   78.208   11.461 -1.626625 13.17325 
1 1 1    4   17   37 o  106.589   5.5994  116.244   11.924 -4.733398 11.19874 
1 1 1    4   18    0 o  316.195   3.3699  1000.18   21.308 7.936646 6.739795 
1 1 1    4   18    1 o  514.816   5.2362  2653.04   53.898 -17.55392 10.47235 
1 1 1    4   18    2 o  191.910   4.5962  368.487   17.641      ?      ? 
1 1 1    4   18    3 o  149.686   5.2740  224.211   15.789      ?      ? 
1 1 1    4   18    4 o  210.750   4.6581  444.389   19.634      ?      ? 
1 1 1    4   18    5 o  363.934   3.8604  1325.37   28.085 -0.6392517 7.720719 
1 1 1    4   18    6 o  356.297   3.8390  1269.03   27.318 -6.868683 7.677948 
1 1 1    4   18    7 o  313.508   3.6692  975.776   22.916 32.10495 7.338455 
1 1 1    4   18    8 o  455.139   4.1054  2078.70   35.336 3.812378 8.210826 
1 1 1    4   18    9 o  466.214   6.8711  2176.01   64.068      ?      ? 
1 1 1    4   18   10 f  273.070   5.5734  746.294   30.439      ?      ? 
1 1 1    4   18   11 o   24.748   7.2995  -2.7473   6.8946 -10.63138 14.59894 
1 1 1    4   18   12 o  141.249   2.9850  200.546   8.3557 -5.285782 5.970082 
1 1 1    4   18   13 o  559.552   3.9778  3133.95   44.511 4.241577 7.955566 
1 1 1    4   18   14 o  483.992   3.5163  2344.63   34.036 2.553314 7.032694 
1 1 1    4   18   15 o  318.352   2.7064  1014.13   17.231 -1.006165 5.412724 
1 1 1    4   18   16 o  250.979   2.6689  630.197   13.392 2.033051 5.337849 
1 1 1    4   18   17 o  329.063   2.8206  1083.36   18.554 3.914764 5.641279 
1 1 1    4   18   18 o  145.771   3.7076  212.812   10.805 0.8970947 7.415125 
1 1 1    4   18   19 o  337.224   4.0906  1138.38   27.589      ?      ? 
1 1 1    4   18   20 o   65.153   8.1918   43.818   10.385 -4.506435 16.38354 
1 1 1    4   18   21 o  289.307   2.7322  837.533   15.796 5.474701 5.464423 
1 1 1    4   18   22 o   60.682   8.3727   38.528   9.8954 -8.635971 16.74534 
1 1 1    4   18   23 o  100.113   5.0314  100.762   10.015 1.179276 10.06281 
1 1 1    4   18   24 o  209.010   2.8841  436.526   12.004 6.770081 5.768143 
1 1 1    4   18   25 o   87.502   8.3286   77.669   14.575      ?      ? 
1 1 1    4   18   26 o  140.597   5.7771  198.128   16.245      ?      ? 
1 1 1    4   18   27 o   49.429   10.102   26.096   10.490 -1.612244 20.20311 
1 1 1    4   18   28 o  117.671   4.6012  140.305   10.690 -3.362503 9.202437 
1 1 1    4   18   30 o  129.759   4.0358  169.943   10.462 0.1908112 8.071636 
1 1 1    4   18   31 f  151.135   5.8677  230.545   17.736      ?      ? 
1 1 1    4   18   32 o   38.110   9.7802   11.233   10.886 -15.38295 19.56039 
1 1 1    4   18   33 o   55.197   9.9253   34.204   10.941 -7.989380 19.85055 
1 1 1    4   18   34 o  111.390   5.1434  125.487   11.344 4.585861 10.28678 
1 1 1    4   18   35 o   34.141   9.9920   4.3866   11.075 5.252428 19.98391 
1 1 1    4   18   36 o   74.546   9.6363   58.648   12.800 -0.9433060 19.27259 
1 1 1    4   19    0 o  376.620   3.9366  1220.50   26.518 -117.6389 7.873283 
1 1 1    4   19    1 o  506.841   7.1623  2572.23   72.603      ?      ? 
1 1 1    4   19    2 o  448.139   6.4518  2010.42   57.826      ?      ? 
1 1 1    4   19    3 o  514.682   7.2968  2652.57   75.111      ?      ? 
1 1 1    4   19    4 o  493.165   7.0376  2435.16   69.414      ?      ? 
1 1 1    4   19    5 o  416.723   4.3108  1737.80   35.915 -3.079620 8.621634 
1 1 1    4   19    6 o  319.613   3.6749  989.624   22.993 -48.27780 7.349836 
1 1 1    4   19    7 o  521.891   5.2585  2727.25   54.885 6.156860 10.51697 
1 1 1    4   19    8 o  716.101   7.0509  5127.77  100.736 -29.37665 14.10188 
1 1 1    4   19    9 o  417.181   6.3301  1742.82   52.816      ?      ? 
1 1 1    4   19   10 o  220.656   5.7724  487.412   25.474      ?      ? 
1 1 1    4   19   11 o  368.448   3.6233  1354.11   24.502 -2.999176 7.246641 
1 1 1    4   19   13 o  407.643   3.0492  1662.90   24.858 2.517487 6.098321 
1 1 1    4   19   14 o  243.768   2.4709  593.338   12.017 6.809875 4.941738 
1 1 1    4   19   15 o  327.066   2.6906  1070.44   17.597 1.361237 5.381229 
1 1 1    4   19   16 o  198.998   2.7331  396.665   10.869 -6.947433 5.466207 
1 1 1    4   19   17 o  299.006   2.7267  894.681   16.302 2.504791 5.453437 
1 1 1    4   19   18 o  160.263   3.3451  257.702   10.700 -6.668808 6.690185 
1 1 1    4   19   19 o  186.765   2.9916  349.616   11.167 -4.754913 5.983286 
1 1 1    4   19   20 o   50.432   9.3099   26.900   9.5010 -3.158920 18.61987 
1 1 1    4   19   21 o   96.221   5.0271   92.750   9.6511 5.005104 10.05415 
1 1 1    4   19   22 o  309.678   2.7326  960.449   16.912 3.610352 5.465225 
1 1 1    4   19   23 o   30.564   8.9582  -1.5321   9.5142 13.57476 17.91649 
1 1 1    4   19   24 o  184.732   4.1330  342.498   15.270      ?      ? 
1 1 1    4   19   26 o   34.770   9.6786   7.3168   10.118 -5.541269 19.35710 
1 1 1    4   19   27 o  134.989   3.8775  182.203   10.394 6.640533 7.755006 
1 1 1    4   19   30 o   31.542   9.4960   0.5266   10.380 7.392729 18.99197 
1 1 1    4   19   31 o   47.790   9.5894   25.171   10.566 -21.00298 19.17876 
1 1 1    4   19   32 o   74.629   7.3942   56.585   10.878 5.440804 14.78847 
1 1 1    4   19   33 o   48.213   11.446   21.722   12.057 13.15415 22.89290 
1 1 1    4   19   34 o   90.263   6.3091   81.180   11.195 22.72482 12.61825 
1 1 1    4   19   35 o   73.763   7.9204   58.144   11.094 -11.50393 15.84082 
1 1 1    4   19   36 o   68.281   7.9977   50.239   10.632 11.29842 15.99532 
1 1 1    4   20    0 o  509.344   5.2149  2598.24   53.113 -11.54733 10.42988 
1 1 1    4   20    1 o  506.782   7.2073  2571.62   73.051      ?      ? 
1 1 1    4   20    2 o  271.036   4.8836  735.055   26.473      ?      ? 
1 1 1    4   20    3 o  270.835   4.8664  733.988   26.360      ?      ? 
1 1 1    4   20    4 o  213.729   4.9569  457.138   21.189      ?      ? 
1 1 1    4   20    5 o  671.115   6.6001  4515.35   88.564 9.905151 13.20026 
1 1 1    4   20    6 o  689.759   6.7809  4768.68   93.476 -14.95898 13.56174 
1 1 1    4   20    7 o  471.443   4.8274  2223.18   45.458 -10.91251 9.654810 
1 1 1    4   20    8 o  505.745   5.1352  2547.14   51.697 -28.69565 10.27049 
1 1 1    4   20    9 o  168.672   4.5386  288.710   15.104 20.32971 9.077235 
1 1 1    4   20   10 o  200.362   5.9644  401.999   23.901      ?      ? 
1 1 1    4   20   11 o  112.479   5.0549  114.599   8.6901 -16.62640 10.10981 
1 1 1    4   20   12 o  314.101   3.3430  979.906   19.032 -5.617859 6.686021 
1 1 1    4   20   13 o  314.572   2.5882  990.219   16.283 -0.7299805E-01 5.176412 
1 1 1    4   20   14 o  248.260   3.2052  605.843   14.099 9.490005 6.410489 
1 1 1    4   20   15 f  277.512   2.5287  770.596   14.024 1.159088 5.057386 
1 1 1    4   20   16 o   68.866   6.9941   51.564   8.7466 -26.35005 13.98829 
1 1 1    4   20   17 o  197.142   2.7418  388.402   10.792 5.324783 5.483640 
1 1 1    4   20   18 o   33.579   9.1466   5.0796   9.2211 12.80289 18.29328 
1 1 1    4   20   19 o  112.901   4.0929  127.558   9.2254 4.439331 8.185806 
1 1 1    4   20   20 o  156.711   3.1421  246.860   9.8132 -7.070389 6.284122 
1 1 1    4   20   21 o  171.216   2.9749  292.527   10.157 9.609589 5.949856 
1 1 1    4   20   22 o  196.165   2.8284  385.486   11.075 1.741150 5.656892 
1 1 1    4   20   23 o  176.123   4.2629  311.389   15.016      ?      ? 
1 1 1    4   20   25 o   41.970   9.8148   17.893   9.6555 -3.978981 19.62969 
1 1 1    4   20   26 o   46.030   9.4569   22.890   9.4912 -10.62550 18.91376 
1 1 1    4   20   27 o   84.591   9.3052   73.495   15.743      ?      ? 
1 1 1    4   20   29 o   69.121   9.4092   46.493   11.446 16.29633 18.81847 
1 1 1    4   20   30 o  107.902   4.9927  115.642   10.662 11.92279 9.985494 
1 1 1    4   20   31 o   51.479   10.272   28.923   10.882 0.1827888 20.54395 
1 1 1    4   20   32 o   44.223   10.560   20.030   11.011 -0.5973206 21.12000 
1 1 1    4   20   33 o  108.736   5.2517  120.082   11.275 2.290092 10.50331 
1 1 1    4   20   34 o  112.784   5.1163  131.000   11.341 -10.19478 10.23252 
1 1 1    4   20   35 o   29.946   9.0681  -4.4521   10.777 -11.35983 18.13618 
1 1 1    4   21    0 o  571.615   6.0520  3253.93   68.165 20.71460 12.10393 
1 1 1    4   21    1 o  500.453   7.1120  2508.64   71.184      ?      ? 
1 1 1    4   21    2 o  347.969   5.3975  1211.95   37.563      ?      ? 
1 1 1    4   21    3 o  579.927   8.1300  3370.16   94.296      ?      ? 
1 1 1    4   21    4 o  346.659   5.3978  1202.83   37.424      ?      ? 
1 1 1    4   21    5 o  253.840   4.9497  644.864   25.129      ?      ? 
1 1 1    4   21    6 o  318.543   3.7332  1015.66   23.771 13.76251 7.466410 
1 1 1    4   21    7 o  234.516   3.6394  539.279   16.816 -26.74940 7.278770 
1 1 1    4   21    8 o  534.342   5.3887  2861.98   57.586 0.2624512E-02 10.77748 
1 1 1    4   21    9 o  227.206   3.7828  516.068   17.084 -3.064056 7.565511 
1 1 1    4   21   10 o  344.480   3.9657  1188.46   27.304 0.6001587 7.931431 
1 1 1    4   21   11 o  287.302   3.2387  807.125   16.607 -14.44849 6.477351 
1 1 1    4   21   12 o  397.883   3.7395  1582.48   27.632 -1.844604 7.479095 
1 1 1    4   21   13 o  445.348   3.2633  1985.47   29.062 -4.800629 6.526677 
1 1 1    4   21   14 o  337.094   2.6860  1137.23   18.108 -3.881226 5.372057 
1 1 1    4   21   15 o  313.985   2.6090  986.400   16.375 2.902710 5.217981 
1 1 1    4   21   16 o   83.240   4.9953   69.656   8.2425 -0.8219986 9.990633 
1 1 1    4   21   18 o  152.886   2.9658  234.129   9.0531 0.1332703 5.931579 
1 1 1    4   21   19 o   99.327   4.4409   98.713   8.8030 6.173050 8.881794 
1 1 1    4   21   20 o   70.535   6.2503   49.853   8.7754 8.878952 12.50055 
1 1 1    4   21   21 o  174.517   2.8882  305.393   10.042 -0.5771027 5.776466 
1 1 1    4   21   22 o  143.854   4.7885  207.937   13.777      ?      ? 
1 1 1    4   21   24 o   21.992   7.4495 -18.8790   9.4753 -3.162909 14.89901 
1 1 1    4   21   25 o   99.946   4.7894   99.884   9.5234 9.516479 9.578802 
1 1 1    4   21   27 o  111.854   5.9776  125.729   13.372      ?      ? 
1 1 1    4   21   28 o   55.845   8.6484   34.882   9.5995 -19.93518 17.29684 
1 1 1    4   21   30 o   46.760   10.402   23.109   10.754 6.772232 20.80332 
1 1 1    4   21   31 o   83.072   6.7295   69.750   11.070 10.13167 13.45895 
1 1 1    4   21   32 o   48.290   10.278   25.749   10.804 -5.775871 20.55528 
1 1 1    4   21   33 o   48.497   10.396   24.666   10.824 9.074207 20.79165 
1 1 1    4   21   34 o   98.456   5.8605   96.841   11.339 25.99684 11.72099 
1 1 1    4   22    0 o  167.856   5.2555  282.057   17.643      ?      ? 
1 1 1    4   22    1 o  388.395   5.7890  1510.47   44.968      ?      ? 
1 1 1    4   22    2 o  357.905   5.4766  1282.48   39.202      ?      ? 
1 1 1    4   22    3 o  469.625   6.7373  2209.52   63.280      ?      ? 
1 1 1    4   22    4 o  243.519   4.8131  593.583   23.442      ?      ? 
1 1 1    4   22    5 o  198.618   5.2060  394.950   20.680      ?      ? 
1 1 1    4   22    6 o  396.174   4.2012  1570.79   33.276 12.65057 8.402492 
1 1 1    4   22    7 o  190.320   3.8206  363.849   14.449 5.831207 7.641102 
1 1 1    4   22    8 o  232.051   3.6465  539.958   16.887 5.860016 7.293100 
1 1 1    4   22    9 o  124.232   5.4411  152.719   13.425 -15.34492 10.88227 
1 1 1    4   22   10 o  316.980   3.8250  1005.23   24.203 -5.818909 7.650013 
1 1 1    4   22   11 o  355.507   4.0248  1264.13   28.566 -9.712463 8.049648 
1 1 1    4   22   12 o  330.967   5.6346  1097.53   37.297      ?      ? 
1 1 1    4   22   13 o  278.171   3.2071  749.403   15.567 -18.24469 6.414119 
1 1 1    4   22   14 o  266.296   2.3973  709.621   12.766 2.945282 4.794645 
1 1 1    4   22   15 o   64.919   5.5458   44.239   6.8872 -14.26836 11.09162 
1 1 1    4   22   16 o  194.707   2.4315  380.113   9.4536 -7.552948 4.862960 
1 1 1    4   22   17 o  183.693   2.5273  336.543   9.2498 7.972565 5.054505 
1 1 1    4   22   18 o  193.918   2.4791  376.451   9.5976 1.318359 4.958157 
1 1 1    4   22   19 f   96.232   4.2487   93.910   8.1026 -9.012970 8.497373 
1 1 1    4   22   20 o  247.210   2.4951  611.779   12.331 -9.249969 4.990130 
1 1 1    4   22   23 o  113.014   4.0328  129.084   9.0848 -7.413780 8.065578 
1 1 1    4   22   24 o  113.812   4.0833  130.589   9.2691 -2.114777 8.166664 
1 1 1    4   22   26 o  154.638   4.9082  239.875   15.180      ?      ? 
1 1 1    4   22   27 o   25.649   8.2332  -9.2536   9.3715 7.945141 16.46634 
1 1 1    4   22   28 f  152.127   3.4993  231.900   10.613 6.262283 6.998507 
1 1 1    4   22   29 o   19.449   6.8341 -33.9367   10.202 1.909885 13.66817 
1 1 1    4   22   30 o  122.600   4.5836  151.851   11.107 1.927521 9.167268 
1 1 1    4   22   31 o   36.104   10.195   8.2674   11.163 -2.275414 20.38957 
1 1 1    4   22   32 o  100.085   5.5621  103.979   10.902 -13.06618 11.12410 
1 1 1    4   22   33 o  101.776   5.2483  104.547   10.654 6.436600 10.49665 
1 1 1    4   22   34 o   84.369   6.4769   77.093   10.869 3.251831 12.95387 
1 1 1    4   23    0 o  257.819   4.7060  665.402   24.266      ?      ? 
1 1 1    4   23    1 o  249.951   4.7381  625.417   23.686      ?      ? 
1 1 1    4   23    2 o  305.371   5.0360  933.651   30.757      ?      ? 
1 1 1    4   23    3 o  131.764   6.2090  173.944   16.362      ?      ? 
1 1 1    4   23    4 o  214.882   4.8251  462.286   20.736      ?      ? 
1 1 1    4   23    5 o   86.923   9.6276   75.924   16.737      ?      ? 
1 1 1    4   23    6 o  107.709   8.1966  116.438   17.657      ?      ? 
1 1 1    4   23    7 o  154.213   4.2153  239.817   12.900 9.825089 8.430527 
1 1 1    4   23    8 o  196.232   3.7574  387.485   14.677 13.49466 7.514751 
1 1 1    4   23    9 o  276.120   3.6693  764.520   20.241 11.02725 7.338643 
1 1 1    4   23   10 o  484.844   4.9828  2357.91   48.316 2.298889 9.965509 
1 1 1    4   23   11 o  164.542   4.4717  268.633   14.636 -16.93027 8.943439 
1 1 1    4   23   12 o  424.322   4.5088  1802.26   38.193 -14.05267 9.017617 
1 1 1    4   23   13 o  159.260   3.7996  244.647   10.872 -13.38559 7.599254 
1 1 1    4   23   14 o  211.572   3.1908  438.925   11.252 -7.925522 6.381661 
1 1 1    4   23   15 o  134.839   2.5448  181.924   6.8559 2.014786 5.089528 
1 1 1    4   23   16 o  110.461   3.1075  123.238   6.8103 -9.861275 6.214938 
1 1 1    4   23   17 o  209.167   2.3372  438.025   9.7644 1.245132 4.674499 
1 1 1    4   23   18 o  243.831   2.3747  595.629   11.576 -1.842224 4.749372 
1 1 1    4   23   19 o  138.983   3.0279  195.541   8.3403 -15.23131 6.055816 
1 1 1    4   23   21 o  211.867   3.7034  449.527   15.692      ?      ? 
1 1 1    4   23   22 o   48.055   8.1291   24.609   8.2832 -21.64805 16.25811 
1 1 1    4   23   23 f   52.526   8.5403   29.923   8.8380 -11.03217 17.08055 
1 1 1    4   23   24 o   17.165   8.6286 -37.6087   13.001      ?      ? 
1 1 1    4   23   26 o  138.732   3.5143  193.379   9.7369 5.867218 7.028546 
1 1 1    4   23   27 o  142.358   3.5846  203.661   10.174 1.562454 7.169140 
1 1 1    4   23   28 o   19.867   6.9129 -30.7065   9.8414 -5.322496 13.82575 
1 1 1    4   23   29 o  143.049   3.7702  206.710   10.728 -2.416901 7.540327 
1 1 1    4   23   30 o   91.588   5.8283   86.216   10.561 -4.594978 11.65653 
1 1 1    4   23   31 o   86.924   6.2940   77.158   10.912 3.759521 12.58793 
1 1 1    4   23   32 o   78.153   6.7518   62.522   10.529 0.4686890 13.50358 
1 1 1    4   23   33 f   54.639   9.3876   33.499   10.156 -4.584164 18.77514 
1 1 1    4   24    0 o  211.710   4.6193  448.774   19.559      ?      ? 
1 1 1    4   24    1 o  360.509   5.4526  1301.94   39.314      ?      ? 
1 1 1    4   24    2 o  181.775   4.9192  330.895   17.884      ?      ? 
1 1 1    4   24    3 o  296.316   4.8959  879.292   29.015      ?      ? 
1 1 1    4   24    4 o  402.327   5.9656  1622.17   48.003      ?      ? 
1 1 1    4   24    5 f  230.239   4.9547  530.901   22.815      ?      ? 
1 1 1    4   24    6 o  173.722   5.6990  302.396   19.801      ?      ? 
1 1 1    4   24    7 o  156.421   4.1449  242.303   12.878 -15.57243 8.289831 
1 1 1    4   24    8 o  175.132   3.9684  293.808   13.580 -47.69403 7.936791 
1 1 1    4   24    9 o  313.317   3.7532  983.682   23.506 13.50098 7.506382 
1 1 1    4   24   10 o   94.627   6.7885   89.997   12.752 -2.150177 13.57697 
1 1 1    4   24   11 o  166.176   4.2346  277.217   14.025 0.5735016 8.469196 
1 1 1    4   24   12 f  192.755   3.8780  372.662   14.927 0.4253693 7.755902 
1 1 1    4   24   13 o   89.894   7.3714   82.998   13.027 15.81696 14.74276 
1 1 1    4   24   14 o   96.263   6.0662  100.538   9.7338 14.38445 12.13250 
1 1 1    4   24   15 o  282.851   3.1652  791.665   15.927 -7.710327 6.330451 
1 1 1    4   24   16 f  120.431   2.6333  144.840   6.3231 4.890427 5.266691 
1 1 1    4   24   17 o   60.061   5.3430   37.118   6.2645 -7.150421 10.68594 
1 1 1    4   24   18 o  127.260   4.6562  162.674   11.851      ?      ? 
1 1 1    4   24   20 o   92.520   5.7556   86.312   10.650      ?      ? 
1 1 1    4   24   21 o  185.503   2.5275  344.210   9.3453 4.726440 5.055005 
1 1 1    4   24   22 o  116.884   3.5758  136.840   8.3272 5.112473 7.151503 
1 1 1    4   24   24 f   27.078   8.5566  -5.7506   9.5527 4.275267 17.11321 
1 1 1    4   24   25 o  115.938   4.0852  136.083   9.4476 -6.145622 8.170449 
1 1 1    4   24   26 o   89.908   5.4401   82.125   9.7206 -2.736725 10.88022 
1 1 1    4   24   27 o   44.991   9.5681   22.164   9.7330 -12.72612 19.13617 
1 1 1    4   24   28 o  112.757   4.5465  129.402   10.107 -4.078529 9.093044 
1 1 1    4   24   29 o  113.991   4.5027  131.757   10.194 -1.315102 9.005481 
1 1 1    4   24   30 o   66.122   10.601   45.282   14.020      ?      ? 
1 1 1    4   24   31 o  118.822   4.4962  142.602   10.670 2.579865 8.992321 
1 1 1    4   24   32 o   32.716   9.4639   5.0315   9.8384 3.214893 18.92787 
1 1 1    4   25    0 o  254.514   4.5935  648.628   23.382      ?      ? 
1 1 1    4   25    1 o  179.063   4.8964  321.116   17.535      ?      ? 
1 1 1    4   25    2 o  158.188   5.2913  250.678   16.740      ?      ? 
1 1 1    4   25    3 o  386.666   5.7744  1498.35   44.656      ?      ? 
1 1 1    4   25    4 o  300.652   5.0316  905.480   30.255      ?      ? 
1 1 1    4   25    5 o  310.795   5.1451  967.835   31.982      ?      ? 
1 1 1    4   25    6 o  487.638   7.0045  2387.61   68.314      ?      ? 
1 1 1    4   25    7 o  248.297   4.9388  617.930   24.526      ?      ? 
1 1 1    4   25    8 o  277.834   3.5084  774.094   19.489 5.690674 7.016822 
1 1 1    4   25    9 o  162.859   4.0374  266.106   13.087 0.2613831 8.074781 
1 1 1    4   25   10 o  288.882   3.5926  836.647   20.743 0.4447937 7.185260 
1 1 1    4   25   11 f  259.283   3.5592  673.951   18.444 -1.520355 7.118335 
1 1 1    4   25   12 o  368.133   4.0662  1360.46   29.937 3.882874 8.132459 
1 1 1    4   25   13 o  106.228   6.0302  113.520   12.781 -5.491119 12.06047 
1 1 1    4   25   14 o  149.447   4.6500  224.915   13.878 2.045441 9.300087 
1 1 1    4   25   15 o  189.503   4.0281  361.365   15.236 5.070679 8.056124 
1 1 1    4   25   18 o  199.186   3.3051  397.166   13.167      ?      ? 
1 1 1    4   25   19 o  132.184   2.9639  176.269   7.7485 -4.807999 5.927741 
1 1 1    4   25   20 f  219.227   2.3646  481.783   10.367 -1.679214 4.729290 
1 1 1    4   25   21 o   21.282   9.9761 -10.1281   10.719      ?      ? 
1 1 1    4   25   22 o  184.562   3.6681  341.067   13.540      ?      ? 
1 1 1    4   25   24 o  121.585   3.6664  149.097   8.9105 -4.931450 7.332745 
1 1 1    4   25   25 o   84.030   5.4819   71.716   9.1385 13.17272 10.96385 
1 1 1    4   25   26 o  139.858   3.5854  197.602   9.9890 -1.404694 7.170756 
1 1 1    4   25   27 o   71.898   6.8084   54.204   9.5706 -9.898163 13.61683 
1 1 1    4   25   28 o   43.758   9.4882   20.600   9.5059 -12.06664 18.97639 
1 1 1    4   25   29 o   87.361   5.6765   78.040   9.8780 -2.374504 11.35298 
1 1 1    4   25   30 f   61.654   8.3254   41.084   9.9263 -15.33910 16.65087 
1 1 1    4   25   31 o  143.720   3.6062  208.399   10.358 -4.553558 7.212425 
1 1 1    4   26    0 o  320.142   4.9933  1027.49   31.971      ?      ? 
1 1 1    4   26    1 o  163.079   4.9265  266.600   16.068      ?      ? 
1 1 1    4   26    2 o  266.859   4.7046  713.732   25.109      ?      ? 
1 1 1    4   26    3 o  394.787   5.8427  1563.92   46.132      ?      ? 
1 1 1    4   26    4 o  184.691   4.9492  341.931   18.282      ?      ? 
1 1 1    4   26    5 o  231.431   4.7382  536.755   21.931      ?      ? 
1 1 1    4   26    6 o  255.620   4.8154  654.869   24.618      ?      ? 
1 1 1    4   26    7 o  307.879   5.1085  950.395   31.456      ?      ? 
1 1 1    4   26    8 o  194.432   3.5425  376.339   13.721 -15.96498 7.085007 
1 1 1    4   26    9 o  389.840   4.1422  1525.72   32.294 4.001373 8.284358 
1 1 1    4   26   10 o  118.012   5.0348  141.741   11.738 11.64799 10.06951 
1 1 1    4   26   11 o  230.873   3.4435  534.805   15.882 -0.2837219 6.886945 
1 1 1    4   26   12 o  181.620   3.8007  332.433   13.756 12.84674 7.601440 
1 1 1    4   26   13 o  138.519   4.6149  191.632   12.711 -9.452103 9.229846 
1 1 1    4   26   14 o   53.601   7.1011   19.388   12.702 65.77009 14.20214 
1 1 1    4   26   15 o  365.081   4.1935  1273.93   29.698 -69.45551 8.387086 
1 1 1    4   26   16 o  299.597   4.1402  810.007   23.536 114.0968 8.280424 
1 1 1    4   26   17 o  160.531   3.9370  256.396   9.5956 -2.468964 7.873975 
1 1 1    4   26   18 o  202.594   2.1804  411.304   8.8316 -6.125870 4.360717 
1 1 1    4   26   19 o   80.778   4.0292   66.241   6.3985 -4.064720 8.058351 
1 1 1    4   26   20 f  133.670   3.0023  182.275   7.8937 -24.50156 6.004649 
1 1 1    4   26   21 o  156.930   3.7920  246.659   11.902      ?      ? 
1 1 1    4   26   22 o  115.876   3.4859  135.987   8.0124 -6.432983 6.971896 
1 1 1    4   26   23 o   81.523   5.0535   69.004   8.0470 -14.37396 10.10693 
1 1 1    4   26   25 f   99.898   4.4376  101.327   8.8399 -4.171913 8.875174 
1 1 1    4   26   26 o   38.986   9.4484   14.573   9.0247 8.368412 18.89685 
1 1 1    4   26   27 f   94.239   4.8858   89.996   9.1926 7.824097 9.771590 
1 1 1    4   26   28 o   66.079   7.0753   44.969   9.3436 2.427979 14.15056 
1 1 1    4   26   29 o  107.147   4.5046  116.167   9.6471 -2.058975 9.009219 
1 1 1    4   26   30 o   38.964   9.5165   14.884   8.9937 -1.611053 19.03304 
1 1 1    4   27    0 o  260.793   4.4992  681.647   23.467      ?      ? 
1 1 1    4   27    1 o  142.119   5.3295  202.610   15.148      ?      ? 
1 1 1    4   27    2 o  261.487   4.6391  685.396   24.261      ?      ? 
1 1 1    4   27    3 o  236.333   4.6017  559.879   21.751      ?      ? 
1 1 1    4   27    4 o  306.991   4.9607  945.130   30.458      ?      ? 
1 1 1    4   27    5 o  169.616   5.1296  288.605   17.401      ?      ? 
1 1 1    4   27    6 o  361.300   5.5235  1310.43   39.913      ?      ? 
1 1 1    4   27    7 o  302.308   5.0338  917.093   30.435      ?      ? 
1 1 1    4   27    8 o  330.025   5.2813  1093.61   34.859      ?      ? 
1 1 1    4   27    9 o  354.188   3.8530  1260.04   27.291 6.050476 7.705967 
1 1 1    4   27   10 o  180.651   3.6114  328.422   12.979 4.803513 7.222721 
1 1 1    4   27   11 o  255.686   3.4280  655.623   17.513 15.59964 6.855922 
1 1 1    4   27   12 o   58.693   9.7812   37.871   11.843 21.92049 19.56241 
1 1 1    4   27   13 o  312.725   3.7574  977.265   23.417 -9.219391 7.514860 
1 1 1    4   27   14 o  148.735   5.3739  248.049   14.134 71.71962 10.74783 
1 1 1    4   27   15 o  202.774   3.8528  409.612   15.487 -17.39703 7.705520 
1 1 1    4   27   16 o   80.609   8.9537   73.048   12.980 42.52385 17.90740 
1 1 1    4   27   17 o  129.104   5.1369  168.801   13.238 7.493217 10.27375 
1 1 1    4   27   18 o  134.092   4.8433  184.820   12.850 23.45045 9.686502 
1 1 1    4   27   19 o  230.507   5.0552  532.594   23.305      ?      ? 
1 1 1    4   27   21 o  173.992   2.4974  305.030   8.6558 -13.65459 4.994745 
1 1 1    4   27   22 o  132.037   3.0568  175.365   8.0128 -1.517487 6.113651 
1 1 1    4   27   23 o   50.792   7.9887   27.292   7.8976 8.299629 15.97736 
1 1 1    4   27   24 o  159.180   2.8483  254.133   9.0559 4.371353 5.696631 
1 1 1    4   27   25 o   66.440   6.2623   44.989   8.3006 5.258099 12.52457 
1 1 1    4   27   26 f   92.736   4.6084   86.902   8.5220 4.584892 9.216846 
1 1 1    4   27   27 o  166.607   2.9992  280.299   9.9501 -11.36102 5.998357 
1 1 1    4   27   28 o   96.240   5.0077   94.273   9.5738 -12.82863 10.01545 
1 1 1    4   27   29 o  114.911   4.0286  133.151   9.2301 -12.72139 8.057122 
1 1 1    4   28    0 o   94.566   7.0024   90.072   13.244      ?      ? 
1 1 1    4   28    1 o  161.675   4.7766  262.265   15.445      ?      ? 
1 1 1    4   28    2 o  262.850   4.5634  693.018   23.990      ?      ? 
1 1 1    4   28    3 o  170.445   4.7973  291.498   16.353      ?      ? 
1 1 1    4   28    4 o  324.599   5.0794  1057.63   32.975      ?      ? 
1 1 1    4   28    5 o  113.426   6.7202  129.506   15.245      ?      ? 
1 1 1    4   28    6 o  300.427   4.9502  905.889   29.744      ?      ? 
1 1 1    4   28    7 o  213.165   4.7290  456.066   20.161      ?      ? 
1 1 1    4   28    8 o   37.458   14.610   9.6438   15.797      ?      ? 
1 1 1    4   28    9 o  232.870   3.4311  542.805   15.884 35.63420 6.862134 
1 1 1    4   28   10 o  304.400   3.5859  900.174   21.403 -45.71292 7.171885 
1 1 1    4   28   11 o  233.935   3.5741  528.133   16.315 71.58339 7.148198 
1 1 1    4   28   12 o  280.389   3.5257  790.357   19.746 5.482544 7.051470 
1 1 1    4   28   13 f  149.240   4.2135  222.951   12.398 -5.899811 8.426979 
1 1 1    4   28   14 o  134.511   4.6493  180.819   12.389 -8.480347 9.298694 
1 1 1    4   28   15 o  143.298   4.4464  207.131   12.676 0.9185791 8.892837 
1 1 1    4   28   16 o   28.598   8.8669 -22.8167   12.254 20.27686 17.73378 
1 1 1    4   28   17 o  139.076   5.0790  193.898   13.760 -42.82446 10.15797 
1 1 1    4   28   18 o   64.849   6.9460   42.542   12.353 83.58694 13.89195 
1 1 1    4   28   19 o   42.072   10.845   15.993   11.884 -4.301086 21.69064 
1 1 1    4   28   20 o  118.069   4.5786  138.846   8.5917 -2.308289 9.157273 
1 1 1    4   28   21 o   94.603   4.9224   89.924   9.3135      ?      ? 
1 1 1    4   28   22 f  229.583   2.3729  528.320   10.881 -16.55135 4.745776 
1 1 1    4   28   23 o   66.350   5.7176   45.092   7.5154 -3.147522 11.43511 
1 1 1    4   28   24 o  197.629   2.5322  391.995   9.9812 0.5984039 5.064340 
1 1 1    4   28   25 o  153.915   2.9590  239.422   9.0370 -6.190109 5.917926 
1 1 1    4   28   26 o   63.833   6.7757   41.877   8.5495 0.3687210 13.55139 
1 1 1    4   28   27 o  110.622   4.0712  123.069   8.9540 2.595825 8.142467 
1 1 1    4   28   28 o   76.770   6.0057   60.845   9.2056 5.044838 12.01132 
1 1 1    4   29    0 o  331.662   5.0955  1106.06   33.800      ?      ? 
1 1 1    4   29    1 o   18.879   9.3726 -31.9277   13.513      ?      ? 
1 1 1    4   29    2 o   37.275   14.017   11.125   14.183      ?      ? 
1 1 1    4   29    4 o   44.870   14.656   20.146   15.113      ?      ? 
1 1 1    4   29    5 o  213.938   4.8056  458.694   20.562      ?      ? 
1 1 1    4   29    6 o  350.047   5.4619  1227.71   38.238      ?      ? 
1 1 1    4   29    7 o  310.121   5.1847  963.288   32.158      ?      ? 
1 1 1    4   29    8 o  135.263   6.7227  183.723   18.187      ?      ? 
1 1 1    4   29    9 o   76.320   10.894   59.912   16.629      ?      ? 
1 1 1    4   29   10 o  149.693   3.8230  227.954   11.230 9.261856 7.646054 
1 1 1    4   29   11 o  194.942   3.4122  382.554   13.219 4.028290 6.824409 
1 1 1    4   29   12 o   83.529   6.8153   72.953   11.049 12.24855 13.63052 
1 1 1    4   29   13 o  140.718   4.5114  200.864   12.608 6.926880 9.022715 
1 1 1    4   29   15 o  363.157   4.1412  1213.83   28.539 -95.07510 8.282372 
1 1 1    4   29   16 o   86.975   7.5326   77.170   13.100 -0.3915329 15.06522 
1 1 1    4   29   17 f   89.004   7.1614   81.552   12.717 7.784569 14.32289 
1 1 1    4   29   18 o  113.999   5.9783  135.128   13.277 29.49088 11.95660 
1 1 1    4   29   19 o  101.468   6.6957  104.605   13.533 -12.86585 13.39135 
1 1 1    4   29   20 f   93.484   7.3517   89.739   13.714 -8.223869 14.70350 
1 1 1    4   29   21 o  134.985   5.4049  185.391   14.571 4.655502 10.80988 
1 1 1    4   29   22 o  156.654   2.5287  246.102   7.8977 2.162842 5.057483 
1 1 1    4   29   23 o  141.146   2.8130  199.784   7.9107 3.495026 5.625915 
1 1 1    4   29   24 o   72.059   5.3248   53.236   7.6111 -4.781311 10.64970 
1 1 1    4   29   25 o  168.776   2.7425  286.603   9.2350 -3.481415 5.485018 
1 1 1    4   29   26 o   86.126   4.7286   75.007   8.1339 0.6118393 9.457253 
1 1 1    4   29   27 o   66.878   6.2813   48.230   8.3488 10.51585 12.56260 
1 1 1    4   30    0 o  132.322   5.4461  175.831   14.413      ?      ? 
1 1 1    4   30    1 o  143.861   5.3367  207.844   15.355      ?      ? 
1 1 1    4   30    2 o   18.273   9.1364 -40.2521   14.299      ?      ? 
1 1 1    4   30    3 o  115.116   6.5916  133.866   15.176      ?      ? 
1 1 1    4   30    4 o  152.343   5.3833  233.965   16.402      ?      ? 
1 1 1    4   30    5 o  200.976   4.7778  406.253   19.204      ?      ? 
1 1 1    4   30    6 f  194.357   4.8601  379.550   18.892      ?      ? 
1 1 1    4   30    7 f  199.842   4.9891  401.288   19.941      ?      ? 
1 1 1    4   30    8 o   46.880   15.187   22.617   16.236      ?      ? 
1 1 1    4   30    9 o   48.030   15.253   24.016   16.435      ?      ? 
1 1 1    4   30   10 o   47.042   15.523   22.800   16.953      ?      ? 
1 1 1    4   30   12 o  231.673   3.6454  527.615   16.630 -25.69931 7.290886 
1 1 1    4   30   13 o  342.644   4.0031  1160.54   27.157 -34.22421 8.006114 
1 1 1    4   30   14 o   52.475   8.8511   21.950   13.567 50.33242 17.70226 
1 1 1    4   30   15 o  213.142   3.7844  454.867   16.077 21.38298 7.568747 
1 1 1    4   30   16 o  131.146   5.0926  174.544   13.343 8.592728 10.18512 
1 1 1    4   30   17 o  132.179   5.1990  176.264   13.724 -7.428070 10.39795 
1 1 1    4   30   18 o   57.901   11.309   37.082   13.650 8.292423 22.61803 
1 1 1    4   30   19 o   32.825   10.306  -4.6196   13.562 -1.079960 20.61174 
1 1 1    4   30   20 o  107.052   6.6273  117.304   14.163 -8.597069 13.25468 
1 1 1    4   30   21 o  114.518   6.3585  134.018   14.541 -8.621567 12.71699 
1 1 1    4   30   22 o   85.517   8.8498   78.102   14.567 -19.48943 17.69952 
1 1 1    4   30   23 o  106.920   6.9477  117.745   14.856 0.1684647 13.89532 
1 1 1    4   30   24 f   73.559   5.1093   54.670   7.4993 4.016228 10.21864 
1 1 1    4   30   25 o  161.876   2.8770  263.496   9.2628 -1.232452 5.754082 
1 1 1    4   31    0 o  260.029   4.4596  678.969   23.193      ?      ? 
1 1 1    4   31    1 o  133.465   5.1833  179.130   13.836      ?      ? 
1 1 1    4   31    2 o  198.750   4.3674  396.579   17.360      ?      ? 
1 1 1    4   31    3 o  202.260   4.5243  410.814   18.302      ?      ? 
1 1 1    4   31    4 o  173.273   5.0367  301.827   17.455      ?      ? 
1 1 1    4   31    5 o  139.399   6.0880  196.031   16.973      ?      ? 
1 1 1    4   31    6 o  154.976   5.9158  243.122   18.336      ?      ? 
1 1 1    4   31    7 f  304.512   5.2500  939.105   31.974      ?      ? 
1 1 1    4   31    8 o  110.519   8.3730  123.739   18.507      ?      ? 
1 1 1    4   31    9 o  307.809   5.2944  949.988   32.593      ?      ? 
1 1 1    4   31   10 o  270.168   5.2106  732.129   28.155      ?      ? 
1 1 1    4   31   11 o  228.741   3.5540  529.129   16.175 17.29994 7.107924 
1 1 1    4   31   12 o  118.002   5.2161  142.682   12.163 9.207390 10.43211 
1 1 1    4   31   13 o  109.010   5.8299  122.283   12.598 11.04154 11.65980 
1 1 1    4   31   14 o   35.408   10.394   1.4117   12.773 -11.64645 20.78841 
1 1 1    4   31   15 f   93.933   7.0276   90.240   13.070 -16.85853 14.05521 
1 1 1    4   31   16 o  179.285   4.2033  324.829   15.062 7.376602 8.406698 
1 1 1    4   31   17 o  158.040   4.5845  253.323   14.466 5.874252 9.168921 
1 1 1    4   31   18 o  209.750   3.9373  442.889   16.495 -11.76460 7.874612 
1 1 1    4   31   19 f   65.635   10.588   47.699   13.617 4.692661 21.17508 
1 1 1    4   31   20 o   60.423   10.958   40.885   13.868 -22.69142 21.91522 
1 1 1    4   31   21 o   74.060   10.021   59.922   14.368 -28.32560 20.04103 
1 1 1    4   31   22 o   98.319   7.5404  100.182   14.814 -0.4441071 15.08087 
1 1 1    4   31   23 o  128.588   5.7362  168.758   14.690 -11.94388 11.47240 
1 1 1    4   31   24 f   59.236   11.526   39.284   14.226 19.19272 23.05285 
1 1 1    4   32    0 o  218.892   4.5879  480.196   20.085      ?      ? 
1 1 1    4   32    1 o  291.683   4.8555  852.843   28.326      ?      ? 
1 1 1    4   32    2 o  268.766   4.7770  723.938   25.678      ?      ? 
1 1 1    4   32    3 o  257.012   4.8039  661.937   24.693      ?      ? 
1 1 1    4   32    4 o  202.500   5.2980  411.147   21.457      ?      ? 
1 1 1    4   32    5 o  269.315   5.1872  727.555   27.940      ?      ? 
1 1 1    4   32    6 o  130.049   7.4632  170.789   19.412      ?      ? 
1 1 1    4   32    7 o   29.169   13.339 -10.6221   17.585      ?      ? 
1 1 1    4   32    8 o   86.097   9.7740   76.151   16.830      ?      ? 
1 1 1    4   32    9 o   64.915   13.094   45.577   16.403      ?      ? 
1 1 1    4   32   10 o   99.990   8.5399  102.235   17.078      ?      ? 
1 1 1    4   32   11 o  110.934   8.1019  125.290   17.975      ?      ? 
1 1 1    4   32   12 o  145.020   4.5002  211.793   13.043 -5.507645 9.000319 
1 1 1    4   32   13 o  126.036   5.3242  162.781   13.169 28.27235 10.64847 
1 1 1    4   32   14 o   71.490   9.2890   56.208   12.792 19.05856 18.57799 
1 1 1    4   32   15 o  157.069   4.4327  249.319   13.921 -0.7941589 8.865312 
1 1 1    4   32   16 o   72.673   9.1604   56.643   12.949 6.764175 18.32086 
1 1 1    4   32   17 o  206.438   3.9468  429.865   16.280 12.60609 7.893542 
1 1 1    4   32   18 o  105.536   6.6937  115.331   13.998 17.25147 13.38743 
1 1 1    4   32   19 f  158.499   4.8972  254.537   15.481 4.373215 9.794417 
1 1 1    4   32   20 o   58.236   11.824   37.476   14.494 9.512943 23.64874 
1 1 1    4   32   21 o  163.086   4.8043  269.198   15.624 -0.9191132 9.608550 
1 1 1    4   32   22 o  140.149   5.2816  195.824   14.651 22.43175 10.56316 
1 1 1    4   33    0 f  246.316   4.5686  610.292   22.506      ?      ? 
1 1 1    4   33    1 o  192.942   4.6581  374.555   17.975      ?      ? 
1 1 1    4   33    2 o   90.442   7.9992   83.298   14.469      ?      ? 
1 1 1    4   33    3 o  127.268   5.9364  163.651   15.110      ?      ? 
1 1 1    4   33    4 o  105.596   7.2429  113.288   15.297      ?      ? 
1 1 1    4   33    5 o   68.352   12.250   50.185   16.140      ?      ? 
1 1 1    4   33    6 o  139.164   6.1728  195.832   17.181      ?      ? 
1 1 1    4   33    7 o   89.610   8.8886   81.926   15.930      ?      ? 
1 1 1    4   33    8 o  141.724   6.0734  202.432   17.215      ?      ? 
1 1 1    4   33    9 o  286.296   5.0330  823.770   28.818      ?      ? 
1 1 1    4   33   10 o  148.420   6.1043  222.511   18.120      ?      ? 
1 1 1    4   33   11 o  179.672   5.5037  326.385   19.777      ?      ? 
1 1 1    4   33   12 o  138.499   6.6604  194.171   18.449      ?      ? 
1 1 1    4   33   13 o   76.072   8.4284   62.397   12.195 16.29051 16.85682 
1 1 1    4   33   14 o   40.324   10.562   11.402   12.415 16.30731 21.12318 
1 1 1    4   33   15 o   91.373   7.0232   86.434   12.772 8.840332 14.04641 
1 1 1    4   33   16 o   53.522   11.329   31.978   13.094 3.770798 22.65730 
1 1 1    4   33   17 o   39.918   11.134   9.5124   13.608 -10.68699 22.26728 
1 1 1    4   33   18 o   46.154   11.478   18.436   14.207 18.96708 22.95663 
1 1 1    4   33   19 o  202.866   4.2098  414.651   17.049 4.790329 8.419531 
1 1 1    4   33   20 o   72.897   9.6618   57.111   13.457 4.330399 19.32358 
1 1 1    4   34    0 o  144.558   5.2278  210.106   15.115      ?      ? 
1 1 1    4   34    1 o  136.611   5.6531  187.816   15.446      ?      ? 
1 1 1    4   34    2 o  150.369   5.4787  227.498   16.477      ?      ? 
1 1 1    4   34    3 o  176.661   5.0344  313.824   17.788      ?      ? 
1 1 1    4   34    4 o   89.849   8.3104   82.131   14.933      ?      ? 
1 1 1    4   34    5 f  179.955   4.8807  326.250   17.566      ?      ? 
1 1 1    4   34    6 o   90.844   8.3751   84.658   15.217      ?      ? 
1 1 1    4   34    7 o  153.942   5.5525  239.389   17.095      ?      ? 
1 1 1    4   34    8 o  206.037   4.9294  427.354   20.313      ?      ? 
1 1 1    4   34    9 f  190.578   5.1608  365.951   19.671      ?      ? 
1 1 1    4   34   10 o   78.332   10.769   63.590   16.871      ?      ? 
1 1 1    4   34   11 o   75.780   11.490   59.735   17.415      ?      ? 
1 1 1    4   34   12 o  257.784   5.1056  669.961   26.323      ?      ? 
1 1 1    4   34   13 o  115.450   7.9325  136.218   18.316      ?      ? 
1 1 1    4   34   14 o  181.795   4.0125  333.441   14.575 8.443237 8.025006 
1 1 1    4   34   15 o   67.346   9.9276   48.578   13.313 31.29838 19.85521 
1 1 1    4   34   16 o  186.730   4.2084  350.364   15.651 23.79019 8.416712 
1 1 1    4   34   17 f  166.971   4.4630  280.797   14.869 16.20244 8.926095 
1 1 1    4   34   18 o  145.690   4.8340  213.706   14.022 11.47910 9.667986 
1 1 1    4   35    1 o  212.945   4.5813  456.229   19.511      ?      ? 
1 1 1    4   35    2 o   96.118   7.9267   94.112   15.238      ?      ? 
1 1 1    4   35    3 o   52.992   14.009   30.833   15.075      ?      ? 
1 1 1    4   35    4 o   99.625   7.6636  101.078   15.270      ?      ? 
1 1 1    4   35    5 o  162.149   5.2697  265.202   17.089      ?      ? 
1 1 1    4   35    6 o  153.382   5.5762  237.496   17.106      ?      ? 
1 1 1    4   35    7 o   95.079   8.4852   92.380   16.135      ?      ? 
1 1 1    4   35    8 o  233.035   4.8935  547.178   22.807      ?      ? 
1 1 1    4   35    9 o  151.340   6.0506  231.909   18.314      ?      ? 
1 1 1    4   35   10 o  106.436   8.2055  115.997   17.467      ?      ? 
1 1 1    4   35   11 o   61.257   14.432   41.475   17.412      ?      ? 
1 1 1    4   35   12 o   82.652   10.988   70.912   18.163      ?      ? 
1 1 1    4   35   13 o  141.844   6.8497  204.180   19.432      ?      ? 
1 1 1    4   35   14 o  214.626   5.2714  463.946   22.628      ?      ? 
1 1 1    4   35   15 o  139.869   6.6075  197.940   18.484      ?      ? 
1 1 1    4   35   16 o   75.248   11.036   59.622   16.609      ?      ? 
1 1 1    4   36    1 o  168.585   4.7085  286.417   15.876      ?      ? 
1 1 1    4   36    2 o  102.793   6.9753  107.480   14.340      ?      ? 
1 1 1    4   36    3 o  110.815   6.8360  124.843   15.151      ?      ? 
1 1 1    4   36    4 o  111.956   7.0096  127.524   15.695      ?      ? 
1 1 1    4   36    5 o   72.328   10.789   54.388   15.606      ?      ? 
1 1 1    4   36    6 o  159.507   5.5087  256.893   17.574      ?      ? 
1 1 1    4   36    7 o   68.707   11.345   49.079   15.590      ?      ? 
1 1 1    4   36    8 o  190.828   5.0438  367.128   19.250      ?      ? 
1 1 1    4   36    9 o  108.425   7.7301  119.816   16.763      ?      ? 
1 1 1    4   36   10 o  171.135   5.5765  295.380   19.087      ?      ? 
1 1 1    4   36   11 o  154.343   6.0991  240.471   18.827      ?      ? 
1 1 1    4   36   12 o  177.838   5.5240  318.935   19.647      ?      ? 
1 1 1    4   36   13 o  112.518   7.3637  129.406   16.571      ?      ? 
1 1 1    4   37    0 o  160.994   2.7944  259.806   8.9976      ?      ? 
1 1 1    4   37    1 o  180.565   2.8141  326.818   10.162      ?      ? 
1 1 1    4   37    2 o   96.619   6.7814   94.617   13.104      ?      ? 
1 1 1    4   37    3 o  153.870   4.9672  238.405   15.286      ?      ? 
1 1 1    4   37    4 o  215.641   4.5260  467.557   19.520      ?      ? 
1 1 1    4   37    5 o  150.007   5.3003  226.641   15.902      ?      ? 
1 1 1    4   37    6 o  109.439   6.8956  121.221   15.093      ?      ? 
1 1 1    4   37    7 o  137.700   5.5913  191.190   15.398      ?      ? 
1 1 1    4   37    8 o   56.023   12.922   34.134   14.193      ?      ? 
1 1 1    4   37    9 o  145.786   5.3300  214.981   15.541      ?      ? 
1 1 1    4   37   10 o  173.039   5.5266  317.467   19.126      ?      ? 
1 1 1    5    0    3 o  177.188   3.5592  314.376   12.602 -0.000000 0.000000 
1 1 1    5    0    4 o  188.708   3.6217  356.553   13.658 -0.000000 0.000000 
1 1 1    5    0    5 o  121.841   3.0146  149.186   7.3179 -0.000000 0.000000 
1 1 1    5    0    6 o  303.591   3.2273  921.313   19.570 -0.000000 0.000000 
1 1 1    5    0    7 o  424.269   4.2457  1801.92   36.003 -0.000000 0.000000 
1 1 1    5    0    8 o  394.057   3.9996  1554.60   31.504 -0.000000 0.000000 
1 1 1    5    0    9 o   40.661   10.730   22.667   8.3468 -0.000000 0.000000 
1 1 1    5    0   10 o  272.654   3.1817  744.240   17.336 -0.000000 0.000000 
1 1 1    5    0   11 o  158.289   3.3900  251.329   10.709 -0.000000 0.000000 
1 1 1    5    0   12 f  450.282   4.5536  2030.57   40.989 -0.000000 0.000000 
1 1 1    5    0   13 o   21.057   9.7551  -3.4154   10.222 -0.000000 0.000000 
1 1 1    5    0   15 o  213.878   3.6127  458.449   15.429 -0.000000 0.000000 
1 1 1    5    0   16 o  655.388   6.4855  4302.37   84.971 -0.000000 0.000000 
1 1 1    5    0   17 o   81.655   9.9265   71.615   14.722 -0.000000 0.000000 
1 1 1    5    0   18 o  145.009   5.5594  212.639   15.938 -0.000000 0.000000 
1 1 1    5    0   19 o  413.045   4.5710  1708.01   37.730 -0.000000 0.000000 
1 1 1    5    0   20 f  499.828   5.2578  2500.00   52.514 -0.000000 0.000000 
1 1 1    5    0   21 o  251.365   4.4454  631.346   22.277 -0.000000 0.000000 
1 1 1    5    0   22 o  510.619   5.3849  2611.44   54.959 -0.000000 0.000000 
1 1 1    5    0   23 o  443.111   4.9596  1962.95   43.885 -0.000000 0.000000 
1 1 1    5    0   24 o  731.144   7.2940  5354.87  106.515 -0.000000 0.000000 
1 1 1    5    0   25 o  183.067   5.4397  337.475   19.835 -0.000000 0.000000 
1 1 1    5    0   26 o  129.407   7.1164  170.967   18.179 -0.000000 0.000000 
1 1 1    5    0   27 o   33.781   14.407   11.903   17.380 -0.000000 0.000000 
1 1 1    5    0   28 o   34.563   13.985   11.132   17.001 -0.000000 0.000000 
1 1 1    5    0   29 o   30.356   13.413   6.9204   16.288 -0.000000 0.000000 
1 1 1    5    0   30 o   64.349   14.129   52.712   15.853 -0.000000 0.000000 
1 1 1    5    0   31 o   88.353   10.541   84.916   16.997 -0.000000 0.000000 
1 1 1    5    0   32 o  430.540   4.9554  1853.95   42.569 -0.000000 0.000000 
1 1 1    5    0   33 o   80.716   11.623   74.849   16.095 -0.000000 0.000000 
1 1 1    5    0   34 o   40.366   13.429   23.543   15.756 -0.000000 0.000000 
1 1 1    5    0   36 o   33.128   12.579   6.8668   15.618 -0.000000 0.000000 
1 1 1    5    0   38 o   27.570   12.461  -2.8988   17.040 -0.000000 0.000000 
1 1 1    5    0   39 f   23.930   11.614 -13.4068   17.501 -0.000000 0.000000 
1 1 1    5    0   40 f   34.894   14.575   14.612   17.203 -0.000000 0.000000 
1 1 1    5    0   41 o   27.574   12.673   1.6973   16.296 -0.000000 0.000000 
1 1 1    5    1    3 o  710.897   6.9036  5063.38   98.152 -3.080933 13.80717 
1 1 1    5    1    4 o  233.631   2.6940  545.999   12.588 -1.413895 5.388011 
1 1 1    5    1    5 o  299.673   2.2291  898.271   13.360 0.2016907 4.458251 
1 1 1    5    1    6 o  261.626   2.0732  684.591   10.847 2.551849 4.146346 
1 1 1    5    1    7 o  137.284   2.1789  188.528   5.9809 -0.1840363 4.357800 
1 1 1    5    1    8 o  252.275   2.1019  636.638   10.604 -0.8088684 4.203763 
1 1 1    5    1    9 o  312.268   2.3786  975.554   14.854 -1.393860 4.757106 
1 1 1    5    1   10 o  385.571   2.7999  1487.71   21.591 -0.4276733 5.599751 
1 1 1    5    1   11 o   58.185   5.6973   33.949   6.6284 -1.778145 11.39465 
1 1 1    5    1   12 o  254.734   2.2703  649.179   11.567 0.3556824 4.540635 
1 1 1    5    1   13 o  361.479   2.7308  1307.34   19.742 -1.814728 5.461679 
1 1 1    5    1   14 o  446.019   3.2244  1990.47   28.761 -3.313660 6.448755 
1 1 1    5    1   15 o  352.382   2.7604  1242.15   19.453 2.072906 5.520798 
1 1 1    5    1   16 o   94.406   5.1690   89.677   9.7065 10.16148 10.33796 
1 1 1    5    1   17 o  622.542   4.3857  3878.91   54.606 0.3241577 8.771426 
1 1 1    5    1   18 o  363.543   2.9850  1322.19   21.703 1.188110 5.969975 
1 1 1    5    1   19 o   89.404   6.4449   80.280   11.496 4.344254 12.88978 
1 1 1    5    1   22 f  116.125   5.6374  135.316   13.074 -6.339996 11.27481 
1 1 1    5    1   23 f  493.753   3.7312  2439.40   36.837 -7.699097 7.462351 
1 1 1    5    1   24 o  349.476   3.1435  1222.36   21.971 1.538879 6.286913 
1 1 1    5    1   25 o  305.877   3.0802  936.457   18.843 -3.123993 6.160460 
1 1 1    5    1   26 o  232.346   3.2388  540.563   15.050 -1.836517 6.477629 
1 1 1    5    1   27 o  245.094   3.1308  601.576   15.344 -5.455521 6.261510 
1 1 1    5    1   28 o  108.938   5.5553  119.535   12.090 -5.126434 11.11053 
1 1 1    5    1   29 o   26.697   8.7273 -17.3559   11.478 9.032827 17.45457 
1 1 1    5    1   30 f  211.759   3.1513  449.659   13.345 3.639893 6.302541 
1 1 1    5    1   31 o   99.371   6.0822  100.452   12.026 -5.844055 12.16431 
1 1 1    5    1   32 o  208.758   3.6505  436.935   15.226 -8.350632 7.301080 
1 1 1    5    1   33 o   26.515   8.6970 -13.3908   11.156 2.096786 17.39392 
1 1 1    5    1   34 o   45.686   10.458   21.918   11.131 9.607533 20.91516 
1 1 1    5    1   35 o   76.155   10.168   58.821   15.486      ?      ? 
1 1 1    5    1   36 f   39.377   9.9924   11.329   11.101 17.87435 19.98485 
1 1 1    5    1   37 o   95.974   9.0089   93.989   17.292      ?      ? 
1 1 1    5    1   38 o   98.763   6.2529   99.851   12.337 6.418442 12.50576 
1 1 1    5    1   39 o   48.046   11.193   24.685   12.466 0.3706512 22.38663 
1 1 1    5    1   40 o   49.661   11.053   26.707   12.280 3.456207 22.10586 
1 1 1    5    1   41 o   45.052   10.804   20.812   11.599 -4.140335 21.60766 
1 1 1    5    2    3 o  381.014   3.8035  1452.27   28.977 -4.213318 7.606955 
1 1 1    5    2    4 o  383.673   3.3346  1464.99   23.966 -5.721558 6.669269 
1 1 1    5    2    5 o  300.511   2.2321  903.309   13.415 -0.7970276 4.464147 
1 1 1    5    2    6 o  365.834   2.6240  1338.94   19.199 0.4742126 5.248057 
1 1 1    5    2    7 o  358.772   2.6011  1287.57   18.661 4.235657 5.202226 
1 1 1    5    2    8 o  162.885   2.0877  265.260   6.7984 6.430984 4.175415 
1 1 1    5    2    9 f  298.725   2.3140  891.518   13.812 -9.404175 4.628001 
1 1 1    5    2   10 o   63.196   4.8777   40.026   6.1646 0.1825218 9.755428 
1 1 1    5    2   11 o  233.757   2.1817  546.662   10.200 -1.264511 4.363342 
1 1 1    5    2   12 o  364.549   2.7160  1329.78   19.803 -0.2619324 5.432070 
1 1 1    5    2   13 o  242.486   2.3165  588.230   11.233 0.2065735 4.632955 
1 1 1    5    2   14 o  184.025   2.5336  338.500   9.3192 8.899796 5.067142 
1 1 1    5    2   15 o  302.215   2.5931  913.646   15.673 -1.574707 5.186286 
1 1 1    5    2   16 o  521.679   3.7328  2723.42   38.947 0.4071045 7.465670 
1 1 1    5    2   17 o  561.706   3.9992  3156.86   44.921 -5.248596 7.998343 
1 1 1    5    2   18 o  153.097   3.7436  234.257   11.442 -12.81273 7.487110 
1 1 1    5    2   19 o  197.757   3.3025  391.236   13.060 -1.478058 6.605034 
1 1 1    5    2   21 o  245.278   4.4355  601.901   21.758      ?      ? 
1 1 1    5    2   22 o  290.761   3.0610  845.836   17.799 3.581879 6.122029 
1 1 1    5    2   25 o  332.719   3.0675  1107.76   20.409 -5.902161 6.135048 
1 1 1    5    2   26 f  118.336   5.3807  140.557   12.732 -1.828278 10.76149 
1 1 1    5    2   28 o  176.764   3.6615  313.263   12.943 3.164886 7.322938 
1 1 1    5    2   29 o   88.834   6.4626   79.661   11.479 -0.9250107 12.92527 
1 1 1    5    2   30 o   76.982   7.2992   60.246   11.187 9.410141 14.59844 
1 1 1    5    2   31 o   80.860   7.2787   67.158   11.678 -8.427658 14.55738 
1 1 1    5    2   32 o  221.959   4.9795  493.414   22.105      ?      ? 
1 1 1    5    2   33 o  103.762   5.5888  109.410   11.536 -11.64884 11.17764 
1 1 1    5    2   34 o   48.451   9.8621   24.781   11.193 -24.67776 19.72420 
1 1 1    5    2   35 o   42.826   8.5053   9.2588   10.663 -39.01594 17.01068 
1 1 1    5    2   36 f  190.175   3.2841  363.392   12.479 -9.126541 6.568186 
1 1 1    5    2   37 o   33.841   10.102   1.9100   11.873 -5.050184 20.20323 
1 1 1    5    2   38 o   59.934   10.195   39.589   12.141 10.72746 20.38981 
1 1 1    5    2   39 o   54.154   10.928   32.744   12.417 -0.9231567E-03 21.85505 
1 1 1    5    2   40 o   38.616   10.383   9.2643   12.101 14.70224 20.76541 
1 1 1    5    2   41 f   37.281   10.385   9.5795   11.407 -5.418182 20.76974 
1 1 1    5    3    2 o  191.855   3.5149  368.183   13.487      ?      ? 
1 1 1    5    3    3 o  422.962   4.1830  1789.87   35.375 -5.455200 8.366063 
1 1 1    5    3    4 o  213.459   2.2752  453.664   9.0598 -2.700760 4.550382 
1 1 1    5    3    5 o   44.083   5.2941   19.767   4.5732 1.704514 10.58811 
1 1 1    5    3    6 o  265.137   2.0868  703.032   11.064 3.649567 4.173530 
1 1 1    5    3    7 o  162.275   2.0380  263.192   6.6114 5.383759 4.075953 
1 1 1    5    3    8 o  217.748   2.0217  474.256   8.8040 -3.213379 4.043462 
1 1 1    5    3    9 f   83.782   3.5579   70.275   5.9616 1.067322 7.115850 
1 1 1    5    3   10 f  383.192   2.7891  1469.35   21.374 -2.293274 5.578184 
1 1 1    5    3   11 o  217.602   2.1700  473.634   9.4430 2.647995 4.339926 
1 1 1    5    3   12 o  320.259   2.5003  1026.07   16.014 3.129669 5.000655 
1 1 1    5    3   13 o   48.733   7.8035   24.818   7.4385 -2.359375 15.60699 
1 1 1    5    3   14 o  201.850   2.4951  407.528   10.071 -5.150314 4.990251 
1 1 1    5    3   15 o   87.679   4.9577   76.988   8.6782 -6.901245 9.915350 
1 1 1    5    3   16 o  373.807   2.9310  1397.92   21.912 0.2133484 5.861973 
1 1 1    5    3   17 o  373.679   2.9877  1396.89   22.328 -0.8528748 5.975356 
1 1 1    5    3   18 o  494.072   3.6228  2440.71   35.778 -10.74213 7.245675 
1 1 1    5    3   19 o  339.516   3.0044  1153.32   20.394 1.133057 6.008893 
1 1 1    5    3   20 o  470.367   3.5841  2213.51   33.710 -3.894440 7.168251 
1 1 1    5    3   21 o  609.419   4.3640  3717.20   53.185 -3.295349 8.727982 
1 1 1    5    3   22 o  181.518   3.8411  329.471   13.929 -3.797455 7.682225 
1 1 1    5    3   23 o  415.710   3.3657  1729.57   27.983 3.351410 6.731415 
1 1 1    5    3   24 o   46.650   11.339   20.049   12.817 1.304428 22.67741 
1 1 1    5    3   25 o  264.500   3.0986  700.325   16.392 -1.024567 6.197244 
1 1 1    5    3   26 o   24.131   8.2781 -29.8735   12.426 2.496698 16.55618 
1 1 1    5    3   27 o  181.543   5.2232  330.221   18.965      ?      ? 
1 1 1    5    3   28 o   97.951   6.0898   96.581   11.926 2.565720 12.17964 
1 1 1    5    3   29 o   65.960   8.8290   45.503   11.333 -10.28876 17.65801 
1 1 1    5    3   30 o   56.914   9.7269   34.554   10.959 1.750336 19.45380 
1 1 1    5    3   31 o   40.089   10.593   12.490   11.746 -8.355709 21.18652 
1 1 1    5    3   33 o   25.802   8.5829 -16.5652   11.396 1.096766 17.16578 
1 1 1    5    3   34 o  161.679   3.7365  264.639   12.069 -10.67821 7.472923 
1 1 1    5    3   35 f   22.720   10.958 -22.2539   14.877      ?      ? 
1 1 1    5    3   36 o   22.180   7.6515 -27.2342   11.026 -1.668022 15.30300 
1 1 1    5    3   37 o   36.987   10.453   7.9392   11.844 6.657131 20.90544 
1 1 1    5    3   38 o   75.818   8.1314   59.705   12.313 5.009911 16.26287 
1 1 1    5    3   39 f   28.554   9.2482 -12.5879   12.364 -6.970860 18.49634 
1 1 1    5    3   40 o   82.113   7.4133   69.814   12.134 7.430786 14.82669 
1 1 1    5    3   41 o   58.423   9.9465   38.201   11.481 -6.156265 19.89301 
1 1 1    5    4    2 o  417.216   5.8451  1742.19   48.773      ?      ? 
1 1 1    5    4    3 o  239.339   2.7004  572.651   12.907 -3.004318 5.400897 
1 1 1    5    4    4 o  408.465   3.5126  1684.47   27.358 12.37103 7.025273 
1 1 1    5    4    5 o  212.579   2.3259  454.274   9.2929 3.088943 4.651796 
1 1 1    5    4    6 o  168.673   1.9432  284.644   6.5539 2.051758 3.886415 
1 1 1    5    4    7 o  196.810   1.9758  387.232   7.7742 4.369492 3.951567 
1 1 1    5    4    8 o  292.984   2.2686  858.710   13.293 2.152283 4.537277 
1 1 1    5    4    9 o  195.574   2.0705  382.603   8.0969 -0.9982758 4.140903 
1 1 1    5    4   10 f  233.067   2.1373  543.419   9.9623 -1.324570 4.274502 
1 1 1    5    4   11 o  205.864   2.1934  423.813   9.0285 6.249451 4.386750 
1 1 1    5    4   12 o  383.316   2.8358  1469.74   21.736 6.127533 5.671621 
1 1 1    5    4   13 o  116.145   3.4106  135.191   7.8945 12.21931 6.821294 
1 1 1    5    4   14 o  320.595   2.6133  1028.20   16.756 -0.7522888 5.226677 
1 1 1    5    4   15 o  448.417   3.2735  2011.91   29.358 -0.1887817 6.547005 
1 1 1    5    4   16 o  421.166   3.1841  1774.07   26.813 -5.912781 6.368101 
1 1 1    5    4   17 o  926.989   6.3911  8607.76  118.479 -7.364075 12.78229 
1 1 1    5    4   18 o  182.556   3.2811  333.997   11.958 6.841858 6.562281 
1 1 1    5    4   19 o  354.932   3.0355  1259.03   21.528 -8.087769 6.071017 
1 1 1    5    4   20 f  414.233   3.3307  1714.56   27.567 -11.93301 6.661459 
1 1 1    5    4   21 o  101.236   6.8005  106.145   13.142 34.89124 13.60096 
1 1 1    5    4   22 o   52.445   11.351   27.647   13.038 -4.929798 22.70148 
1 1 1    5    4   23 o  311.875   3.0716  973.043   19.154 -4.578369 6.143111 
1 1 1    5    4   24 o   65.990   9.6677   45.437   12.578 -21.70568 19.33542 
1 1 1    5    4   25 o  111.602   5.7667  125.212   12.812 -13.47298 11.53342 
1 1 1    5    4   26 o  134.285   4.8040  180.868   12.883 -9.570251 9.608083 
1 1 1    5    4   27 o   98.398   6.3364   97.574   12.450 -5.357513 12.67278 
1 1 1    5    4   28 o  178.696   3.5866  319.865   12.813 5.387085 7.173203 
1 1 1    5    4   29 o  126.115   4.6549  160.036   11.727 -5.033020 9.309843 
1 1 1    5    4   30 o   74.088   7.5019   55.809   11.108 3.424149 15.00373 
1 1 1    5    4   31 o  106.855   5.7299  115.775   12.240 4.022980 11.45984 
1 1 1    5    4   32 o   31.292   9.7384 -10.7489   12.759 12.49836 19.47677 
1 1 1    5    4   33 o  139.406   4.2362  195.690   11.808 3.272064 8.472398 
1 1 1    5    4   34 o   23.984   8.1345 -28.4687   11.726 -9.737318 16.26895 
1 1 1    5    4   35 o   65.102   8.8109   44.939   11.202 13.48022 17.62189 
1 1 1    5    4   36 o   23.402   7.9642 -23.5361   11.152 -3.291069 15.92837 
1 1 1    5    4   37 o   56.548   10.511   35.726   12.057 4.522160 21.02119 
1 1 1    5    4   38 o  105.765   5.8975  113.985   12.452 4.422752 11.79490 
1 1 1    5    4   39 o   76.115   8.1367   60.545   12.375 2.423981 16.27336 
1 1 1    5    4   40 o   46.578   10.830   22.059   12.158 -12.45707 21.65994 
1 1 1    5    4   41 o   73.597   8.0501   59.505   11.533 -10.86108 16.10011 
1 1 1    5    5    2 o  356.111   5.0915  1269.14   36.262      ?      ? 
1 1 1    5    5    3 o  561.342   5.4820  3156.50   61.534 -5.869446 10.96396 
1 1 1    5    5    4 o  433.966   3.7315  1878.23   30.332 -4.363770 7.462952 
1 1 1    5    5    5 o  324.935   2.9291  1057.72   17.895 1.152893 5.858174 
1 1 1    5    5    6 o  288.662   2.2057  833.556   12.734 2.807953 4.411370 
1 1 1    5    5    7 f  317.774   2.3763  1008.58   15.086 10.96060 4.752665 
1 1 1    5    5    8 o  361.099   2.6307  1304.75   18.999 0.4102783 5.261387 
1 1 1    5    5    9 o   79.402   3.6994   63.141   5.8730 2.348289 7.398882 
1 1 1    5    5   10 o  162.280   2.2681  263.513   7.3602 3.034668 4.536269 
1 1 1    5    5   11 o  110.307   3.1375  121.669   6.9007 -1.189896 6.275061 
1 1 1    5    5   12 o  165.553   2.5247  273.378   8.3462 -11.76810 5.049361 
1 1 1    5    5   13 o  434.096   3.1548  1882.78   27.362 13.54221 6.309630 
1 1 1    5    5   14 o  118.515   3.6252  140.566   8.5916 -0.3814774 7.250411 
1 1 1    5    5   15 o  361.914   2.8355  1310.30   20.523 1.885895 5.671016 
1 1 1    5    5   16 o  713.763   4.9653  5099.67   70.875 -5.910095 9.930563 
1 1 1    5    5   17 o  301.338   2.8186  908.364   16.986 0.5696411 5.637283 
1 1 1    5    5   18 o  538.029   3.8725  2896.90   41.670 -0.2604370 7.745001 
1 1 1    5    5   20 o  335.280   4.4003  1124.66   29.507      ?      ? 
1 1 1    5    5   21 o  106.310   6.0458  113.299   12.848 -0.5069885 12.09158 
1 1 1    5    5   23 o  185.352   3.7569  344.093   13.920 -3.315903 7.513875 
1 1 1    5    5   24 o  122.935   5.2586  151.999   12.879 -11.62525 10.51712 
1 1 1    5    5   25 o  202.818   3.4538  411.903   14.007 -5.347168 6.907684 
1 1 1    5    5   26 o   23.945   8.2225 -30.1677   12.395 -1.356590 16.44501 
1 1 1    5    5   27 o  142.628   4.4450  204.105   12.679 -2.372757 8.890043 
1 1 1    5    5   28 o   73.792   7.9672   55.144   11.750 -1.493874 15.93438 
1 1 1    5    5   29 f   69.192   8.4972   49.530   11.483 -3.171249 16.99438 
1 1 1    5    5   30 o   45.694   10.481   20.990   10.946 2.205898 20.96177 
1 1 1    5    5   32 o   85.390   7.5515   75.826   12.665 -14.12138 15.10306 
1 1 1    5    5   33 o   75.759   7.9272   60.741   11.449 -17.16750 15.85440 
1 1 1    5    5   34 o   81.176   7.4224   67.021   12.040 -3.389252 14.84488 
1 1 1    5    5   35 o   39.493   10.401   12.863   11.260 7.737038 20.80102 
1 1 1    5    5   36 o   74.814   11.053   57.654   16.538      ?      ? 
1 1 1    5    5   37 f   40.860   10.845   14.107   12.217 7.322342 21.69040 
1 1 1    5    5   38 o   60.124   10.346   40.367   12.448 -12.83258 20.69127 
1 1 1    5    5   39 o   63.659   10.223   44.995   12.724 -4.429543 20.44560 
1 1 1    5    5   40 o  102.369   6.1202  107.240   12.476 -9.360893 12.24036 
1 1 1    5    5   41 o   21.143   7.5858  -9.3409   16.010 -2.167761 15.17162 
1 1 1    5    6    2 o  336.699   4.8840  1134.64   32.889      ?      ? 
1 1 1    5    6    3 o  348.785   3.5386  1216.94   24.676 8.956482 7.077136 
1 1 1    5    6    4 o  351.721   3.1092  1228.97   20.353 -6.883606 6.218427 
1 1 1    5    6    5 o  334.633   2.9954  1125.54   18.916 4.537445 5.990801 
1 1 1    5    6    6 o  270.762   2.1188  733.360   11.473 -1.425140 4.237635 
1 1 1    5    6    7 o  225.676   2.0025  508.971   9.0331 -6.664581 4.004972 
1 1 1    5    6    8 o  105.266   2.7549  110.892   5.7997 -0.7456360 5.509811 
1 1 1    5    6    9 o  161.362   2.1594  260.553   6.9668 2.095459 4.318845 
1 1 1    5    6   10 o  104.015   3.1214  108.255   6.4893 -5.185890 6.242896 
1 1 1    5    6   11 o  366.430   2.7311  1343.02   20.011 6.588989 5.462224 
1 1 1    5    6   12 o  342.474   2.6501  1173.33   18.151 -2.279602 5.300270 
1 1 1    5    6   13 f  350.315   2.7152  1227.72   19.023 0.6573792 5.430350 
1 1 1    5    6   14 o  435.834   3.1876  1900.15   27.781 5.325165 6.375125 
1 1 1    5    6   15 o  220.015   2.6035  484.000   11.454 -4.904037 5.207076 
1 1 1    5    6   16 f  161.077   4.6180  259.580   14.877      ?      ? 
1 1 1    5    6   17 o  388.789   3.0441  1511.78   23.665 5.648499 6.088217 
1 1 1    5    6   18 o  257.720   2.8424  664.466   14.650 -0.3087463 5.684733 
1 1 1    5    6   19 f  452.116   4.8938  2045.33   44.251      ?      ? 
1 1 1    5    6   20 o  341.986   4.3692  1170.08   29.884      ?      ? 
1 1 1    5    6   21 o  346.539   3.0922  1201.63   21.430 1.282654 6.184412 
1 1 1    5    6   23 o  245.159   3.1665  601.086   15.520 7.288193 6.332960 
1 1 1    5    6   24 o  240.887   3.2058  580.841   15.443 0.5834503 6.411640 
1 1 1    5    6   25 o  198.052   3.4810  393.072   13.772 -2.957962 6.962027 
1 1 1    5    6   26 o  180.434   3.7379  326.364   13.473 -3.012665 7.475894 
1 1 1    5    6   27 o  305.304   2.9953  933.857   18.287 -5.714996 5.990557 
1 1 1    5    6   28 o  209.815   3.2267  440.857   13.521 2.424927 6.453480 
1 1 1    5    6   29 o  231.911   3.0254  539.229   14.026 -1.649979 6.050802 
1 1 1    5    6   30 o   75.568   7.2231   58.159   10.881 -6.148033 14.44610 
1 1 1    5    6   31 o  145.886   6.2834  213.561   18.333      ?      ? 
1 1 1    5    6   32 o   90.184   6.8355   84.154   12.196 -7.088142 13.67108 
1 1 1    5    6   33 o  127.513   4.5842  164.017   11.686 -0.4964447 9.168465 
1 1 1    5    6   34 o  137.328   6.4418  189.368   17.693      ?      ? 
1 1 1    5    6   35 o   35.304   10.218   5.8912   11.489 0.1175232 20.43551 
1 1 1    5    6   37 o  119.619   5.2231  145.697   12.464 -6.437103 10.44626 
1 1 1    5    6   38 o   85.926   7.3204   75.577   12.474 15.79983 14.64090 
1 1 1    5    6   39 o   57.161   10.630   36.352   12.405 -8.387043 21.26041 
1 1 1    5    6   40 o  105.608   5.8956  113.485   12.438 6.814087 11.79129 
1 1 1    5    7    1 o  379.009   5.4030  1438.19   40.956      ?      ? 
1 1 1    5    7    2 o  263.737   4.1494  696.067   21.887      ?      ? 
1 1 1    5    7    3 o  365.013   3.6837  1333.85   26.886 -0.3973694 7.367395 
1 1 1    5    7    4 o  105.324   3.1017  112.000   5.6539 1.901100 6.203312 
1 1 1    5    7    5 o  361.108   3.2108  1303.34   21.678 -1.320618 6.421527 
1 1 1    5    7    6 o  427.380   3.7198  1833.58   29.959 3.508636 7.439560 
1 1 1    5    7    7 o  123.197   2.3628  151.876   5.8205 3.108223 4.725672 
1 1 1    5    7    8 o  227.007   2.0642  515.537   9.3713 0.6586761 4.128438 
1 1 1    5    7    9 o  151.019   2.2699  228.150   6.8555 -1.203171 4.539725 
1 1 1    5    7   10 o  225.394   2.1582  508.299   9.7272 3.790634 4.316398 
1 1 1    5    7   11 o   98.833   3.6147   97.873   7.1351 5.774216 7.229376 
1 1 1    5    7   12 o  287.391   2.4405  826.174   14.027 2.467712 4.880974 
1 1 1    5    7   13 f  130.626   3.2720  170.589   8.5358 9.847542 6.544041 
1 1 1    5    7   14 o  170.292   2.7945  290.165   9.5151 -4.230515 5.588941 
1 1 1    5    7   15 o  198.515   2.7429  394.184   10.890 1.593216 5.485822 
1 1 1    5    7   16 o  566.280   4.0186  3208.84   45.510 -3.882813 8.037158 
1 1 1    5    7   17 o  271.011   2.7130  734.712   14.700 -0.3365479 5.426057 
1 1 1    5    7   18 o  144.281   5.8707  208.344   16.941      ?      ? 
1 1 1    5    7   19 o  530.019   3.8849  2811.01   41.176 -3.591492 7.769890 
1 1 1    5    7   21 o  655.512   4.6431  4302.96   60.872 -0.3764038 9.286210 
1 1 1    5    7   22 o  247.969   3.1560  615.370   15.651 2.476273 6.311965 
1 1 1    5    7   23 o  238.317   3.1693  568.422   15.105 -1.345886 6.338689 
1 1 1    5    7   24 o  226.225   3.2481  512.578   14.690 -5.018295 6.496244 
1 1 1    5    7   25 o   88.445   9.6894   78.675   17.140      ?      ? 
1 1 1    5    7   26 o  250.230   3.1005  625.290   15.491 11.38602 6.200965 
1 1 1    5    7   27 o  194.007   3.4430  377.070   13.348 2.563675 6.885955 
1 1 1    5    7   28 o  175.051   3.5922  307.753   12.546 -4.337769 7.184471 
1 1 1    5    7   29 o   71.355   7.8231   51.513   11.130 5.335472 15.64627 
1 1 1    5    7   30 o   48.795   10.420   24.449   11.102 9.525360 20.84063 
1 1 1    5    7   32 o   23.193   7.9380 -24.8828   11.188 2.200182 15.87596 
1 1 1    5    7   33 o  103.609   5.4509  109.128   11.252 -2.410774 10.90183 
1 1 1    5    7   34 o  126.532   4.4980  160.772   11.377 -4.824219 8.996000 
1 1 1    5    7   35 o   85.609   6.5431   75.342   11.168 -4.305908 13.08614 
1 1 1    5    7   36 o  133.483   4.5605  179.570   12.140 0.6844025 9.120968 
1 1 1    5    7   37 o   82.797   7.3777   71.066   12.127 -7.255409 14.75533 
1 1 1    5    7   38 f   26.482   8.8357 -17.4267   12.199 -1.116356 17.67147 
1 1 1    5    7   39 o   36.744   10.573   7.2340   12.195 2.014782 21.14504 
1 1 1    5    7   40 o   98.072   6.1097   98.215   11.968 -3.195244 12.21930 
1 1 1    5    8    1 o  398.988   5.6577  1594.15   45.147      ?      ? 
1 1 1    5    8    2 f  370.464   5.3161  1374.15   39.388      ?      ? 
1 1 1    5    8    3 f  114.506   3.0278  126.653   6.7071 -14.99487 6.055549 
1 1 1    5    8    4 f  279.142   2.6648  779.187   13.765 -0.4204712 5.329664 
1 1 1    5    8    5 o  271.308   2.6526  733.764   13.293 -2.604492 5.305299 
1 1 1    5    8    6 o  337.319   3.0778  1143.45   19.469 4.062164 6.155695 
1 1 1    5    8    7 o  139.444   2.1894  194.001   6.0939 12.29021 4.378810 
1 1 1    5    8    8 o  314.846   2.3977  991.717   15.098 2.746094 4.795429 
1 1 1    5    8    9 o  184.116   2.1492  339.143   7.9132 -1.286224 4.298484 
1 1 1    5    8   10 o  440.198   3.1484  1938.63   27.713 -5.278229 6.296852 
1 1 1    5    8   11 o  201.919   3.3220  407.854   13.416      ?      ? 
1 1 1    5    8   12 o  519.222   3.6702  2697.79   38.111 -3.394714 7.340388 
1 1 1    5    8   13 o  183.719   2.5932  337.633   9.5280 2.101074 5.186346 
1 1 1    5    8   14 o  299.603   2.5881  897.680   15.506 4.527740 5.176211 
1 1 1    5    8   15 o  615.943   4.3295  3796.78   53.332 3.508911 8.658992 
1 1 1    5    8   16 o  329.847   2.8012  1088.41   18.478 4.007813 5.602367 
1 1 1    5    8   17 o  467.336   3.4564  2185.34   32.305 0.5086060 6.912858 
1 1 1    5    8   20 o  361.199   3.0822  1305.30   22.260 -2.358612 6.164306 
1 1 1    5    8   22 o  282.421   3.0251  798.091   17.086 3.094238 6.050294 
1 1 1    5    8   23 o  135.412   4.7004  183.634   12.725 2.944839 9.400881 
1 1 1    5    8   24 o  313.403   3.0258  983.186   18.962 0.8748474 6.051660 
1 1 1    5    8   25 o  331.538   3.0718  1100.31   20.366 2.324097 6.143553 
1 1 1    5    8   26 o  223.664   3.2347  501.293   14.464 -5.879089 6.469475 
1 1 1    5    8   27 o  310.547   2.9465  965.988   18.298 -6.162262 5.892916 
1 1 1    5    8   28 f  261.863   2.9253  687.176   15.318 -5.474701 5.850687 
1 1 1    5    8   29 o   37.591   10.253   9.4801   11.115 -5.477863 20.50619 
1 1 1    5    8   30 o  206.400   4.5295  427.858   18.698      ?      ? 
1 1 1    5    8   31 o  204.015   5.0405  417.066   20.567      ?      ? 
1 1 1    5    8   32 o   44.529   10.402   20.023   10.847 -4.376011 20.80468 
1 1 1    5    8   33 o   65.645   9.0615   47.294   11.438 8.363956 18.12299 
1 1 1    5    8   34 o  105.100   5.3732  111.921   11.241 -3.594597 10.74644 
1 1 1    5    8   35 o  106.768   5.3363  115.291   11.316 5.056396 10.67261 
1 1 1    5    8   36 o   46.846   10.706   21.441   11.698 14.89163 21.41167 
1 1 1    5    8   37 o  130.960   4.8285  173.434   12.585 3.641602 9.656926 
1 1 1    5    8   38 o  122.275   5.2115  151.636   12.673 4.851387 10.42296 
1 1 1    5    8   39 o   32.815   10.009  -0.4114   12.148 -4.329582 20.01713 
1 1 1    5    8   40 o   56.508   9.9490   34.607   11.710 23.94333 19.89805 
1 1 1    5    9    0 o  287.573   4.2004  827.652   24.159      ?      ? 
1 1 1    5    9    1 f  347.410   5.0378  1208.35   35.003      ?      ? 
1 1 1    5    9    2 o  205.268   3.8338  421.635   15.739      ?      ? 
1 1 1    5    9    3 o  449.460   4.4455  2023.87   39.961 2.133179 8.890958 
1 1 1    5    9    4 o  398.142   3.4746  1586.39   25.949 -0.2447815 6.949300 
1 1 1    5    9    5 o  420.086   3.6668  1759.79   28.738 -4.480896 7.333697 
1 1 1    5    9    6 f  568.225   4.8460  3229.78   51.699 -2.521423 9.691929 
1 1 1    5    9    7 o  175.416   2.0259  306.279   7.0897 15.12819 4.051878 
1 1 1    5    9    8 o  122.313   2.5712  149.659   6.2884 3.499405 5.142314 
1 1 1    5    9    9 o  163.091   3.2039  266.083   10.451      ?      ? 
1 1 1    5    9   11 o  538.617   3.7829  2903.20   40.748 -4.078491 7.565732 
1 1 1    5    9   12 o  345.915   2.6969  1196.97   18.657 1.514923 5.393861 
1 1 1    5    9   13 o  428.491   3.1493  1836.19   26.981 6.962921 6.298655 
1 1 1    5    9   14 o  427.723   3.1789  1829.05   27.180 8.644135 6.357796 
1 1 1    5    9   15 o  175.546   3.0344  308.252   10.650 6.024933 6.068716 
1 1 1    5    9   16 o  177.922   3.1440  315.560   11.159 -8.761551 6.288000 
1 1 1    5    9   17 o  508.632   5.2963  2588.84   53.878      ?      ? 
1 1 1    5    9   18 o  356.656   3.0629  1272.01   21.831 -4.248230 6.125773 
1 1 1    5    9   19 o  443.627   4.8372  1969.29   42.918      ?      ? 
1 1 1    5    9   20 o  405.273   3.2347  1643.47   26.216 -2.052673 6.469353 
1 1 1    5    9   21 o  115.496   5.4410  133.942   12.540 8.027237 10.88210 
1 1 1    5    9   22 o  196.637   3.4427  386.917   13.536 3.616241 6.885355 
1 1 1    5    9   23 o  174.457   3.8027  305.251   13.247 -5.973389 7.605313 
1 1 1    5    9   24 o   85.350   7.2186   73.006   12.297 6.818993 14.43727 
1 1 1    5    9   25 o  243.463   4.5182  593.506   22.001      ?      ? 
1 1 1    5    9   26 o   84.578   7.1391   72.968   11.950 -11.33851 14.27824 
1 1 1    5    9   27 o   18.814   9.4804 -50.9296   16.311      ?      ? 
1 1 1    5    9   28 f   87.345   6.4421   78.165   11.071 -16.46357 12.88413 
1 1 1    5    9   29 o  179.866   3.3803  324.849   12.148 -3.636932 6.760692 
1 1 1    5    9   30 o   18.914   9.5527 -57.1550   17.281      ?      ? 
1 1 1    5    9   32 o   54.775   10.081   31.958   11.176 9.578003 20.16133 
1 1 1    5    9   33 o  118.436   4.9667  141.323   11.751 8.208328 9.933436 
1 1 1    5    9   34 o   20.646   7.2230 -33.9638   10.923 2.182911 14.44594 
1 1 1    5    9   35 o  132.922   4.4436  179.252   11.686 -4.420685 8.887263 
1 1 1    5    9   36 o   53.481   10.609   31.835   11.746 1.441624 21.21741 
1 1 1    5    9   37 o   48.018   11.150   24.050   12.308 5.267696 22.29946 
1 1 1    5    9   38 o   39.203   10.871   10.052   12.423 10.07954 21.74147 
1 1 1    5    9   39 o  151.920   4.3358  231.343   13.018 7.556366 8.671553 
1 1 1    5    9   40 o   74.107   11.528   65.067   16.533 -4.605278 23.05583 
1 1 1    5   10    0 o  210.553   2.5847  443.115   10.858 20.22548 5.169357 
1 1 1    5   10    1 o  305.528   4.5664  934.367   27.903      ?      ? 
1 1 1    5   10    2 o  300.882   4.5545  906.156   27.407      ?      ? 
1 1 1    5   10    3 o  401.623   4.0173  1615.43   32.267 3.015320 8.034586 
1 1 1    5   10    4 o  265.614   2.6155  694.112   12.622 -10.44043 5.230919 
1 1 1    5   10    5 o  348.521   3.1567  1211.64   20.451 -3.028320 6.313385 
1 1 1    5   10    6 o  242.478   2.6365  592.975   11.831 5.207428 5.272925 
1 1 1    5   10    7 o   81.767   8.5694   67.043   14.014      ?      ? 
1 1 1    5   10    8 o  156.158   2.2584  243.973   7.0512 -4.461090 4.516712 
1 1 1    5   10    9 o  645.725   4.4746  4174.80   57.787 0.3032227 8.949142 
1 1 1    5   10   10 o  252.217   2.2862  636.313   11.532 0.5753784 4.572467 
1 1 1    5   10   11 o  687.070   4.7609  4726.27   65.421 1.795715 9.521875 
1 1 1    5   10   12 o  262.989   2.4315  691.210   12.783 7.730713 4.862955 
1 1 1    5   10   13 o  314.618   2.6204  990.125   16.488 2.676544 5.240801 
1 1 1    5   10   14 o  611.505   4.2938  3740.91   52.497 10.13812 8.587522 
1 1 1    5   10   15 o  256.467   2.6434  657.964   13.553 -0.1719360 5.286879 
1 1 1    5   10   16 o  264.593   2.7742  700.211   14.669 -1.366333 5.548459 
1 1 1    5   10   17 o  496.850   5.1747  2470.29   51.421      ?      ? 
1 1 1    5   10   19 o  337.546   3.0070  1139.82   20.297 -4.863953 6.013972 
1 1 1    5   10   20 f  276.108   4.2723  762.805   23.592      ?      ? 
1 1 1    5   10   21 o   59.127   10.263   36.681   12.060 -2.131443 20.52633 
1 1 1    5   10   22 o  166.140   3.8285  276.581   12.708 -8.824997 7.656947 
1 1 1    5   10   23 o  130.958   4.7436  172.008   12.419 -3.192657 9.487216 
1 1 1    5   10   24 o  382.190   3.1832  1462.54   24.331 -2.082916 6.366414 
1 1 1    5   10   25 o  142.284   4.4279  204.227   12.527 -12.65785 8.855774 
1 1 1    5   10   26 o  158.775   3.8568  253.032   12.235 -3.359283 7.713572 
1 1 1    5   10   27 o  112.439   5.1038  127.362   11.369 20.12738 10.20753 
1 1 1    5   10   28 o  141.356   4.0282  200.482   11.380 7.170517 8.056303 
1 1 1    5   10   29 o   66.119   8.7088   47.413   10.997 -22.20842 17.41756 
1 1 1    5   10   31 o  100.393   5.7104  102.470   11.426 -4.391380 11.42085 
1 1 1    5   10   32 o   55.768   9.8981   34.321   11.152 -11.95457 19.79613 
1 1 1    5   10   34 o   43.379   10.375   17.801   10.912 12.43018 20.75098 
1 1 1    5   10   35 o  191.278   4.5346  367.381   17.347      ?      ? 
1 1 1    5   10   36 o   25.667   8.5633 -20.1884   11.555 8.553539 17.12659 
1 1 1    5   10   37 o   52.704   10.380   30.932   11.927 -17.60245 20.75936 
1 1 1    5   10   38 o   59.572   10.133   40.304   12.144 -17.49361 20.26641 
1 1 1    5   10   39 o  111.493   5.5859  126.146   12.337 0.6156464 11.17178 
1 1 1    5   11    0 o  140.098   2.7331  201.922   7.4451 25.63338 5.466226 
1 1 1    5   11    1 o  355.607   3.6074  1263.50   25.630 15.32349 7.214828 
1 1 1    5   11    2 f  440.116   6.2136  1940.12   54.694      ?      ? 
1 1 1    5   11    3 o  193.530   2.6610  376.503   10.081 4.564606 5.321910 
1 1 1    5   11    4 o   74.802   5.1013   58.595   6.8297 8.036476 10.20260 
1 1 1    5   11    5 o  259.433   2.6934  674.022   12.765 0.6285400 5.386821 
1 1 1    5   11    6 o  163.786   4.8963  268.485   16.039      ?      ? 
1 1 1    5   11    7 o  280.139   2.8628  789.419   14.854 4.081360 5.725565 
1 1 1    5   11    8 o  359.243   2.6594  1290.92   19.106 4.024017 5.318832 
1 1 1    5   11    9 o  347.742   2.6274  1209.35   18.269 4.745789 5.254728 
1 1 1    5   11   10 o  376.157   2.7960  1415.09   21.031 5.910248 5.591966 
1 1 1    5   11   11 f  320.928   2.5617  1029.94   16.439 5.715576 5.123350 
1 1 1    5   11   12 o  502.838   3.5806  2529.34   36.003 -5.954865 7.161237 
1 1 1    5   11   13 o  298.386   2.6126  889.971   15.586 10.38809 5.225260 
1 1 1    5   11   14 o  720.410   5.0047  5196.10   72.107 3.563416 10.00937 
1 1 1    5   11   15 o  176.756   3.1182  312.685   11.018 2.308685 6.236340 
1 1 1    5   11   16 o  870.170   6.0216  7585.50  104.792 -3.971436 12.04315 
1 1 1    5   11   17 o  188.645   4.8070  356.066   18.136      ?      ? 
1 1 1    5   11   18 o  433.831   3.3559  1883.40   29.118 -1.422058 6.711880 
1 1 1    5   11   19 o  211.789   4.5844  448.844   19.419      ?      ? 
1 1 1    5   11   20 o  133.343   4.6623  178.008   12.426 6.827148 9.324634 
1 1 1    5   11   21 o  132.230   4.6118  175.387   12.181 -6.221375 9.223660 
1 1 1    5   11   22 o  202.643   3.3107  411.159   13.416 -1.645767 6.621385 
1 1 1    5   11   23 o  291.720   2.9760  851.859   17.363 -3.608887 5.952062 
1 1 1    5   11   24 o  258.740   4.3086  670.242   22.296      ?      ? 
1 1 1    5   11   25 o  227.071   3.1191  516.413   14.156 1.933594 6.238164 
1 1 1    5   11   26 o  108.841   5.2134  119.113   11.342 -0.6470108 10.42683 
1 1 1    5   11   27 o   95.809   5.7803   92.664   11.060 -2.853172 11.56063 
1 1 1    5   11   28 o   24.440   8.1878 -17.8575   10.738 -0.6318512 16.37558 
1 1 1    5   11   29 o   21.883   7.6106 -35.4976   11.721 -4.677526 15.22120 
1 1 1    5   11   30 o  183.475   5.1202  337.636   18.789      ?      ? 
1 1 1    5   11   31 f   99.362   5.5258  100.113   10.958 -3.177887 11.05152 
1 1 1    5   11   32 o   41.152   10.218   16.449   11.049 -12.71140 20.43577 
1 1 1    5   11   33 o  154.243   3.8404  237.324   11.799 16.49033 7.680821 
1 1 1    5   11   34 o   74.516   7.7967   59.330   11.061 -9.853966 15.59346 
1 1 1    5   11   35 o   41.923   10.086   16.175   11.148 -16.00231 20.17250 
1 1 1    5   11   36 o   31.417   9.6389  -1.7331   11.480 -4.278610 19.27789 
1 1 1    5   11   37 o   93.407   6.6457   91.388   12.167 -11.91666 13.29132 
1 1 1    5   11   38 o   62.483   9.9835   43.268   12.159 -4.933025 19.96710 
1 1 1    5   11   39 o   74.001   8.3242   57.846   11.969 -5.089706 16.64834 
1 1 1    5   12    0 o  348.859   3.5588  1211.89   24.713 -17.48438 7.117542 
1 1 1    5   12    1 o  299.502   3.1667  892.011   18.841 -15.37189 6.333424 
1 1 1    5   12    2 o  239.848   2.8101  574.594   13.374 -3.255646 5.620164 
1 1 1    5   12    3 o  409.853   4.1125  1678.96   33.648 -10.59036 8.225083 
1 1 1    5   12    4 o  286.052   3.1812  816.152   18.156 28.08563 6.362479 
1 1 1    5   12    5 o  759.365   6.4407  5740.21   91.273 -14.26361 12.88149 
1 1 1    5   12    6 o  171.311   2.8670  287.795   8.5714 -6.855179 5.734071 
1 1 1    5   12    7 o  243.041   4.6905  591.054   22.800      ?      ? 
1 1 1    5   12    8 o  395.267   3.5749  1556.82   26.266 -4.402313 7.149818 
1 1 1    5   12    9 o  276.168   2.3147  761.789   12.775 10.85397 4.629313 
1 1 1    5   12   10 o  463.357   3.3083  2148.01   30.657 -1.970612 6.616639 
1 1 1    5   12   11 o  237.960   2.3640  566.434   11.250 2.196747 4.728022 
1 1 1    5   12   12 o  313.228   2.6072  979.591   16.315 12.70938 5.214323 
1 1 1    5   12   13 o  462.040   3.3674  2134.47   31.102 10.12973 6.734767 
1 1 1    5   12   14 o   30.322   8.9791   0.5881   9.2946 -5.690331 17.95811 
1 1 1    5   12   16 o  116.817   5.0846  138.887   11.417 -40.63645 10.16918 
1 1 1    5   12   18 o   74.554   11.012   55.805   16.420      ?      ? 
1 1 1    5   12   19 o   48.545   15.446   23.329   16.848      ?      ? 
1 1 1    5   12   20 o  339.751   2.9966  1155.16   20.361 1.121460 5.993140 
1 1 1    5   12   21 o  287.082   2.9353  824.050   16.845 10.21481 5.870544 
1 1 1    5   12   22 o  261.936   2.9636  686.619   15.522 3.005219 5.927211 
1 1 1    5   12   23 o  213.016   3.2631  454.482   13.897 -2.952072 6.526285 
1 1 1    5   12   24 o  241.389   3.0874  582.994   14.897 7.100800 6.174798 
1 1 1    5   12   25 o  189.058   3.3246  358.479   12.559 -4.183365 6.649227 
1 1 1    5   12   26 o   50.719   10.166   27.077   10.818 -4.250916 20.33181 
1 1 1    5   12   27 o  107.354   5.1557  115.574   11.042 9.762329 10.31137 
1 1 1    5   12   28 o   38.775   9.8823   8.6267   11.026 19.91029 19.76451 
1 1 1    5   12   29 o  296.205   4.3349  878.440   25.680      ?      ? 
1 1 1    5   12   30 o   77.363   7.3015   61.711   11.157 -15.38509 14.60292 
1 1 1    5   12   31 o   47.980   10.281   24.366   10.720 -2.506485 20.56243 
1 1 1    5   12   33 o   25.755   8.5002 -15.0314   10.761 7.224298 17.00043 
1 1 1    5   12   34 o   28.186   8.9379  -8.8181   11.031 -7.052336 17.87574 
1 1 1    5   12   35 o   54.790   10.276   33.753   11.450 -5.891121 20.55212 
1 1 1    5   12   36 o  106.765   5.7316  117.418   12.051 -7.392143 11.46317 
1 1 1    5   12   37 o  107.975   5.6896  119.046   12.212 1.229561 11.37916 
1 1 1    5   12   38 o   73.953   8.1398   56.638   12.020 2.884247 16.27956 
1 1 1    5   12   39 o   98.642   11.174  102.964   22.044      ?      ? 
1 1 1    5   13    0 o  597.136   5.8509  3566.73   69.777 -19.15057 11.70190 
1 1 1    5   13    1 o  438.496   4.3701  1924.64   38.322 6.780182 8.740297 
1 1 1    5   13    2 o  611.462   5.9900  3734.75   73.070 -26.58466 11.98001 
1 1 1    5   13    3 o  402.757   4.0570  1622.54   32.647 -5.983398 8.114031 
1 1 1    5   13    4 o  255.508   3.0074  653.400   15.208 0.6220551 6.014894 
1 1 1    5   13    5 o  217.016   2.6777  464.225   10.191 -6.540802 5.355479 
1 1 1    5   13    6 o  230.629   2.7611  535.180   11.405 3.043076 5.522135 
1 1 1    5   13    7 o  206.698   4.9357  427.510   20.404      ?      ? 
1 1 1    5   13    8 o  426.327   3.8132  1817.81   30.371 -0.5766907 7.626367 
1 1 1    5   13    9 o  334.186   2.5708  1116.79   17.180 5.539429 5.141686 
1 1 1    5   13   10 o  284.315   2.4065  808.547   13.684 3.021057 4.812955 
1 1 1    5   13   11 o  356.095   2.7507  1268.51   19.589 3.335541 5.501343 
1 1 1    5   13   12 o  497.953   3.5569  2479.92   35.412 8.995605 7.113826 
1 1 1    5   13   13 o  213.282   2.6126  455.060   11.143 0.4283295 5.225224 
1 1 1    5   13   15 o  162.947   3.4103  265.439   11.106 -8.525269 6.820691 
1 1 1    5   13   16 o   35.566   14.211   6.2543   15.242      ?      ? 
1 1 1    5   13   17 o  203.495   3.1939  414.149   12.995 -4.934235 6.387874 
1 1 1    5   13   18 o  539.918   3.9170  2916.04   42.276 -11.46234 7.834061 
1 1 1    5   13   19 f  168.699   3.6718  284.890   12.387 4.105255 7.343542 
1 1 1    5   13   20 o   82.581   6.9583   68.529   11.488 -1.498909 13.91658 
1 1 1    5   13   21 o  108.989   5.3556  119.217   11.668 -2.036545 10.71126 
1 1 1    5   13   22 o   89.969   6.5383   82.152   11.640 -13.18326 13.07651 
1 1 1    5   13   23 o  189.333   4.7685  359.013   18.057      ?      ? 
1 1 1    5   13   25 o   91.611   5.9983   84.770   10.951 -3.848969 11.99661 
1 1 1    5   13   26 o  238.374   2.8925  569.292   13.780 1.398376 5.784945 
1 1 1    5   13   27 o   59.743   9.0884   38.633   10.801 -21.82611 18.17682 
1 1 1    5   13   28 o  136.943   6.3123  188.964   17.289      ?      ? 
1 1 1    5   13   30 o   80.655   6.6829   65.781   10.655 17.16194 13.36588 
1 1 1    5   13   31 o   44.411   9.3192   19.345   10.862 -28.28005 18.63846 
1 1 1    5   13   32 o  115.830   6.5164  134.951   15.096      ?      ? 
1 1 1    5   13   33 o   70.156   8.1554   52.790   10.901 -8.895988 16.31087 
1 1 1    5   13   34 f   76.707   7.6203   59.359   11.603 11.83389 15.24064 
1 1 1    5   13   35 o  198.634   3.4527  395.799   13.643 6.050400 6.905462 
1 1 1    5   13   36 o  110.346   5.6684  123.353   12.417 5.891373 11.33676 
1 1 1    5   13   37 o   99.281   6.1598  100.858   12.160 -0.9907532E-01 12.31967 
1 1 1    5   13   38 o  105.207   5.7023  112.032   11.949 13.48364 11.40459 
1 1 1    5   14    0 f  492.841   4.8749  2431.96   48.049 -1.171722 9.749764 
1 1 1    5   14    1 o  448.563   4.4678  2002.42   39.886 -25.19272 8.935638 
1 1 1    5   14    2 o  241.548   2.8754  573.339   13.557 -18.74641 5.750765 
1 1 1    5   14    3 o  113.379   3.3107  125.367   5.6057 -4.266747 6.621369 
1 1 1    5   14    4 o  202.917   2.9211  413.442   11.430 2.861069 5.842244 
1 1 1    5   14    5 o   82.288   5.5692   76.851   6.8288 16.99879 11.13844 
1 1 1    5   14    6 o  437.240   3.8684  1907.46   31.516 -3.462189 7.736792 
1 1 1    5   14    7 o  555.758   4.7996  3076.86   49.777 -7.262512 9.599288 
1 1 1    5   14    8 f  376.627   3.5103  1410.85   24.405 -5.677582 7.020694 
1 1 1    5   14    9 o  673.971   5.7544  4527.86   72.567 -8.571594 11.50876 
1 1 1    5   14   10 o  444.653   3.2074  1978.08   28.523 2.275513 6.414767 
1 1 1    5   14   11 o  462.123   4.7077  2136.75   43.511      ?      ? 
1 1 1    5   14   12 o   98.023   4.3330   96.651   8.4398 -12.31590 8.666035 
1 1 1    5   14   14 o  347.572   4.0779  1208.55   28.347      ?      ? 
1 1 1    5   14   15 o  252.435   2.7726  637.027   13.991 10.84637 5.545297 
1 1 1    5   14   16 o  177.228   3.2868  314.229   11.647 6.046692 6.573635 
1 1 1    5   14   17 o  174.262   4.8047  303.903   16.746      ?      ? 
1 1 1    5   14   18 o  108.363   5.2810  117.964   11.391 -12.83248 10.56207 
1 1 1    5   14   19 o  126.030   4.5783  159.188   11.536 -1.883293 9.156656 
1 1 1    5   14   20 o  169.743   3.5753  288.223   12.127 9.820694 7.150535 
1 1 1    5   14   21 o  271.638   2.9134  737.867   15.819 8.195160 5.826891 
1 1 1    5   14   23 o   27.958   8.9886 -11.7877   11.233 7.601973 17.97714 
1 1 1    5   14   24 o  269.313   2.8343  726.448   15.264 -1.044800 5.668632 
1 1 1    5   14   25 o   28.153   8.9343  -7.1692   10.495 4.107218 17.86867 
1 1 1    5   14   26 o   91.907   5.9115   85.626   10.818 -4.205101 11.82297 
1 1 1    5   14   27 o   75.992   7.2504   58.518   10.989 7.157272 14.50080 
1 1 1    5   14   29 o   21.655   7.5424 -34.3339   11.644 0.7150726 15.08474 
1 1 1    5   14   30 o   49.213   9.4100   25.697   10.741 -26.75820 18.82001 
1 1 1    5   14   31 o   80.351   9.1887   65.159   14.766      ?      ? 
1 1 1    5   14   32 o   20.959   7.2755 -27.9772   10.249 3.124554 14.55104 
1 1 1    5   14   33 o   79.873   7.5470   69.145   11.191 -18.41193 15.09399 
1 1 1    5   14   34 o  200.439   3.4425  402.285   13.728 13.78401 6.884943 
1 1 1    5   14   35 o  152.491   4.2334  233.413   12.845 10.61247 8.466805 
1 1 1    5   14   36 o   33.335   10.147   0.7871   12.111 3.573137 20.29442 
1 1 1    5   14   37 o   42.522   10.434   14.612   11.800 19.81616 20.86727 
1 1 1    5   14   38 o   35.106   9.8419   1.0911   11.609 18.73611 19.68379 
1 1 1    5   15    0 o  412.945   4.1597  1702.09   34.296 18.48370 8.319409 
1 1 1    5   15    1 o  655.376   6.4232  4303.03   84.184 -7.035950 12.84643 
1 1 1    5   15    2 o  294.812   3.2236  870.275   18.965 3.808716 6.447165 
1 1 1    5   15    3 o  516.121   4.4852  2598.42   42.113 -30.86472 8.970471 
1 1 1    5   15    4 o  374.594   3.3795  1407.84   23.585 2.952789 6.759067 
1 1 1    5   15    5 o  599.424   5.1293  3585.20   57.667 -5.519958 10.25867 
1 1 1    5   15    6 o  638.987   6.2772  4089.89   80.218 4.753357 12.55445 
1 1 1    5   15    7 o  617.357   5.2869  3793.50   60.997 -9.970276 10.57381 
1 1 1    5   15    8 o  234.113   5.0065  548.422   23.442      ?      ? 
1 1 1    5   15    9 o  367.572   3.4633  1351.90   23.642 0.8285522E-01 6.926655 
1 1 1    5   15   10 o  257.510   2.3136  662.494   11.907 8.341003 4.627115 
1 1 1    5   15   12 o  327.439   3.8200  1072.56   25.016      ?      ? 
1 1 1    5   15   14 o  468.690   3.4537  2194.74   32.336 -14.72028 6.907469 
1 1 1    5   15   15 f  452.923   3.3821  2051.91   30.628 9.261719 6.764291 
1 1 1    5   15   16 o  588.559   4.1852  3466.66   49.249 -8.852051 8.370325 
1 1 1    5   15   17 o  118.744   4.5865  141.248   10.889 -3.976898 9.173090 
1 1 1    5   15   18 o  342.338   2.9025  1172.74   19.872 2.912781 5.805025 
1 1 1    5   15   19 o   87.288   6.2683   76.669   10.848 14.75837 12.53658 
1 1 1    5   15   20 o  270.439   2.8700  731.775   15.517 3.962891 5.740082 
1 1 1    5   15   22 o  167.497   3.6235  280.330   12.119 12.35796 7.247050 
1 1 1    5   15   23 o  283.349   2.8384  803.639   16.075 4.680756 5.676752 
1 1 1    5   15   24 o   59.851   9.0804   37.527   10.560 12.09333 18.16083 
1 1 1    5   15   25 o   95.633   5.6082   92.039   10.689 2.571968 11.21630 
1 1 1    5   15   26 f  115.933   4.7424  135.016   10.940 2.395897 9.484820 
1 1 1    5   15   27 o   66.471   9.1694   46.679   11.730 -3.735466 18.33889 
1 1 1    5   15   29 o   97.597   5.7598   94.486   11.055 25.10519 11.51951 
1 1 1    5   15   30 o   19.461   9.6947 -36.8294   15.095      ?      ? 
1 1 1    5   15   32 o   74.731   7.7282   59.705   10.932 -9.167519 15.45646 
1 1 1    5   15   33 o   70.111   13.056   52.344   17.625      ?      ? 
1 1 1    5   15   34 o   50.257   10.399   25.310   11.645 21.15798 20.79842 
1 1 1    5   15   35 o   96.992   6.2461   95.888   12.054 4.251091 12.49212 
1 1 1    5   15   36 o  120.485   5.1850  148.042   12.379 -3.259384 10.37006 
1 1 1    5   15   37 o  135.622   4.7510  184.866   12.801 6.954407 9.501991 
1 1 1    5   16    0 o  363.583   3.7578  1303.68   27.066 36.85147 7.515686 
1 1 1    5   16    1 o  829.899   8.1204  6906.09  134.742 7.348938 16.24079 
1 1 1    5   16    2 o  385.087   3.9393  1481.82   30.316 14.30740 7.878678 
1 1 1    5   16    3 o  553.877   4.7476  3075.40   49.748 2.655212 9.495220 
1 1 1    5   16    4 o  443.288   6.3785  1966.92   56.550      ?      ? 
1 1 1    5   16    5 f  438.152   3.8595  1918.43   31.660 -1.654877 7.718997 
1 1 1    5   16    6 o  400.524   3.5965  1601.94   26.854 -2.158051 7.193066 
1 1 1    5   16    7 o  359.952   5.5441  1296.64   39.912      ?      ? 
1 1 1    5   16    8 f  207.278   3.0240  443.277   10.892 13.41776 6.048056 
1 1 1    5   16    9 o  212.364   3.0615  393.698   10.830 -48.43727 6.123012 
1 1 1    5   16   10 o  316.333   5.5462  1001.45   35.089      ?      ? 
1 1 1    5   16   12 o  296.586   3.6443  879.924   21.617      ?      ? 
1 1 1    5   16   13 o  335.116   2.7409  1121.35   18.347 -12.83490 5.481876 
1 1 1    5   16   15 o  653.971   4.6046  4280.67   60.198 -11.33893 9.209237 
1 1 1    5   16   16 o  205.871   2.9722  424.418   12.227 9.769043 5.944484 
1 1 1    5   16   17 o  247.302   2.7640  612.012   13.667 0.7038879E-01 5.528075 
1 1 1    5   16   18 o  125.024   4.3244  156.654   10.802 7.297058 8.648848 
1 1 1    5   16   19 o  100.677   5.3515  101.807   10.755 -1.818748 10.70298 
1 1 1    5   16   20 o  110.796   4.9195  123.163   10.890 -0.9346848 9.838959 
1 1 1    5   16   21 f  126.270   6.1249  159.903   15.468      ?      ? 
1 1 1    5   16   22 o  169.110   3.4168  287.274   11.529 -11.44933 6.833664 
1 1 1    5   16   23 o  145.934   3.7820  213.426   11.021 2.088287 7.563951 
1 1 1    5   16   24 o   91.925   5.7724   84.503   10.566 9.040115 11.54490 
1 1 1    5   16   25 o   47.033   10.279   22.804   10.591 1.119343 20.55839 
1 1 1    5   16   26 o  147.409   4.0313  217.538   11.851 11.38388 8.062559 
1 1 1    5   16   28 o  120.092   4.6171  146.059   11.023 -6.157127 9.234162 
1 1 1    5   16   29 o  128.858   5.6832  167.370   14.646      ?      ? 
1 1 1    5   16   30 o  227.241   4.1967  517.211   19.073      ?      ? 
1 1 1    5   16   31 o  153.060   3.8750  236.977   11.738 -3.700912 7.750085 
1 1 1    5   16   32 o  133.535   4.3951  178.706   11.629 6.168045 8.790201 
1 1 1    5   16   33 o   33.110   9.7410   1.7269   11.446 -9.359619 19.48191 
1 1 1    5   16   34 o   33.474   9.9658   0.4975   11.509 11.11960 19.93150 
1 1 1    5   16   35 o   88.632   6.7673   81.897   11.787 -5.953827 13.53466 
1 1 1    5   16   36 o   52.187   10.584   30.104   11.648 -3.771641 21.16854 
1 1 1    5   16   37 o   32.731   10.031  -3.8128   12.257 11.66349 20.06161 
1 1 1    5   17    0 o  350.181   3.6618  1221.80   25.582 21.12360 7.323692 
1 1 1    5   17    1 o  363.473   3.7807  1317.28   27.427 20.15335 7.561493 
1 1 1    5   17    2 o  153.895   2.9051  238.841   6.8820 1.981049 5.810148 
1 1 1    5   17    3 o  209.709   2.7174  437.654   9.3674 -1.865784 5.434853 
1 1 1    5   17    4 f  423.706   3.7727  1795.77   29.930 -0.4000549 7.545324 
1 1 1    5   17    5 o  221.238   4.9148  489.753   21.747      ?      ? 
1 1 1    5   17    6 o  153.767   6.0253  236.652   18.530      ?      ? 
1 1 1    5   17    7 o  562.625   4.8540  3170.78   51.487 1.068542 9.707937 
1 1 1    5   17    8 o  189.513   3.4070  401.174   10.846 44.66115 6.813907 
1 1 1    5   17    9 o  325.691   3.3007  1058.97   19.701 -1.720398 6.601495 
1 1 1    5   17   10 o  500.099   7.2703  2504.21   72.717      ?      ? 
1 1 1    5   17   11 o  216.645   3.4967  475.444   13.042 5.319717 6.993364 
1 1 1    5   17   12 o  486.824   3.5051  2371.94   34.127 1.227051 7.010242 
1 1 1    5   17   14 o  447.042   3.3157  1999.71   29.642 5.162231 6.631446 
1 1 1    5   17   15 o  140.004   3.6080  196.536   10.083 -9.502747 7.216005 
1 1 1    5   17   16 o  124.427   4.0837  155.190   10.151 -6.711731 8.167383 
1 1 1    5   17   17 o  362.401   2.9388  1314.46   21.299 2.865143 5.877634 
1 1 1    5   17   18 o  337.066   2.8694  1136.21   19.333 -9.710815 5.738727 
1 1 1    5   17   19 o  194.742   3.0981  379.684   12.051 0.3439331E-01 6.196110 
1 1 1    5   17   20 o   17.754   8.9403 -44.8108   14.431      ?      ? 
1 1 1    5   17   21 o  212.876   2.8998  453.926   12.346 -1.078323 5.799618 
1 1 1    5   17   22 o  183.818   3.0783  338.184   11.311 7.347641 6.156566 
1 1 1    5   17   23 o  108.813   4.6930  119.928   10.136 -9.890076 9.385922 
1 1 1    5   17   24 f  144.357   3.8088  210.439   10.924 -8.977966 7.617562 
1 1 1    5   17   25 o   43.383   10.370   18.319   10.654 4.556107 20.74030 
1 1 1    5   17   26 o  176.709   3.6629  314.139   12.875 -9.335632 7.325830 
1 1 1    5   17   27 o   89.198   6.2891   80.072   11.146 13.00187 12.57812 
1 1 1    5   17   28 o   75.879   7.0318   59.224   10.542 -5.031410 14.06363 
1 1 1    5   17   29 o   17.412   8.7979 -48.8312   14.707      ?      ? 
1 1 1    5   17   30 o  164.126   4.9480  271.181   16.242      ?      ? 
1 1 1    5   17   31 o   20.088   7.0943 -39.6626   10.965 5.529402 14.18853 
1 1 1    5   17   32 o   49.400   10.623   25.845   11.313 3.274124 21.24686 
1 1 1    5   17   33 o   30.886   9.5627  -2.0890   11.239 -0.7385178 19.12536 
1 1 1    5   17   34 o  166.192   3.7353  275.461   12.264 11.47298 7.470610 
1 1 1    5   17   35 o   48.870   10.575   24.383   11.427 14.75059 21.14915 
1 1 1    5   17   36 o  104.028   5.7772  110.013   12.017 2.155136 11.55436 
1 1 1    5   18    0 o  278.344   3.2832  625.822   15.966 -113.7201 6.566469 
1 1 1    5   18    1 o  243.286   3.0863  593.695   14.978 14.95528 6.172579 
1 1 1    5   18    2 o  420.523   3.6964  1802.73   30.504 60.37628 7.392817 
1 1 1    5   18    3 o  334.659   5.3229  1120.77   35.627      ?      ? 
1 1 1    5   18    4 o  564.797   7.9606  3195.10   89.923      ?      ? 
1 1 1    5   18    5 o  486.565   7.0170  2370.43   68.285      ?      ? 
1 1 1    5   18    6 f  524.086   4.6049  2719.73   44.858 -15.01782 9.209822 
1 1 1    5   18    7 o  557.799   7.9248  3116.06   88.409      ?      ? 
1 1 1    5   18    8 o  334.350   5.6152  1118.80   37.549      ?      ? 
1 1 1    5   18    9 o  442.928   4.0113  1968.10   33.258 2.884277 8.022507 
1 1 1    5   18   10 o  178.991   3.8927  341.909   11.315 20.90413 7.785482 
1 1 1    5   18   11 o  281.077   5.7095  790.854   32.096      ?      ? 
1 1 1    5   18   12 f  257.663   2.4757  663.348   12.747 7.710861 4.951430 
1 1 1    5   18   13 o  371.748   2.8855  1382.62   21.451 4.260864 5.771019 
1 1 1    5   18   14 o   84.033   6.8747   70.763   11.554      ?      ? 
1 1 1    5   18   15 o  353.061   2.8324  1247.15   19.994 3.792664 5.664834 
1 1 1    5   18   16 o  100.405   4.8681  100.814   9.7628 6.053169 9.736115 
1 1 1    5   18   17 o  233.973   2.7618  547.896   12.923 2.128464 5.523605 
1 1 1    5   18   18 o  118.850   6.1927  141.585   14.720      ?      ? 
1 1 1    5   18   19 o  171.093   3.2542  292.230   11.116 13.02626 6.508464 
1 1 1    5   18   20 o  145.542   3.5917  212.525   10.439 -2.051346 7.183317 
1 1 1    5   18   21 o   77.540   6.3809   60.475   9.8384 11.53714 12.76187 
1 1 1    5   18   22 o  148.563   3.4922  220.374   10.349 9.196671 6.984406 
1 1 1    5   18   23 o   83.366   5.9100   70.869   9.7312 -6.174805 11.81990 
1 1 1    5   18   24 o  122.026   4.2161  150.344   10.246 -5.467056 8.432178 
1 1 1    5   18   26 o   25.632   8.3727 -14.2355   10.663 -6.732800 16.74546 
1 1 1    5   18   27 o   33.297   9.5453   4.5095   10.252 -6.270405 19.09069 
1 1 1    5   18   28 o   64.096   8.5058   43.759   10.648 11.04763 17.01160 
1 1 1    5   18   30 o  107.319   5.1245  118.170   10.876 -10.28056 10.24898 
1 1 1    5   18   31 o   97.084   5.8311   93.747   11.184 11.15118 11.66210 
1 1 1    5   18   32 o   59.760   9.7758   38.270   11.330 7.959400 19.55157 
1 1 1    5   18   33 o   35.565   10.013   7.2625   11.086 -6.655842 20.02683 
1 1 1    5   18   34 o   54.490   10.082   30.765   11.313 21.76773 20.16383 
1 1 1    5   18   35 o   50.052   10.541   26.672   11.219 6.593006 21.08163 
1 1 1    5   18   36 o   85.175   6.9170   76.110   11.575 -15.43170 13.83406 
1 1 1    5   19    0 o  246.047   3.1095  597.796   15.079 -17.81458 6.219038 
1 1 1    5   19    1 o  266.873   3.2082  707.095   16.924 -12.78442 6.416372 
1 1 1    5   19    2 o  445.704   3.9906  1950.71   32.794 -21.10007 7.981170 
1 1 1    5   19    3 o  345.605   5.5001  1195.29   38.017      ?      ? 
1 1 1    5   19    4 o  259.265   3.3673  676.391   17.359 25.76195 6.734588 
1 1 1    5   19    5 o  560.820   5.9784  3131.70   66.149 20.37561 11.95673 
1 1 1    5   19    6 o  552.861   5.5286  3061.16   61.104 -7.478333 11.05725 
1 1 1    5   19    7 o  547.058   4.5402  2973.49   43.065 -8.205811 9.080395 
1 1 1    5   19    8 o  339.464   3.3665  1166.02   21.278 10.60257 6.733093 
1 1 1    5   19    9 o  252.959   3.1748  596.092   13.372 -31.07588 6.349608 
1 1 1    5   19   10 o  316.736   5.7111  1004.36   36.178      ?      ? 
1 1 1    5   19   11 o  417.813   3.9002  1725.92   29.861 -12.70987 7.800343 
1 1 1    5   19   12 o  254.936   3.3080  643.971   14.773 -5.193970 6.615936 
1 1 1    5   19   13 o  222.157   2.4113  493.810   10.709 -0.4040527E-01 4.822518 
1 1 1    5   19   14 o  266.245   2.4737  707.932   13.155 9.641235 4.947424 
1 1 1    5   19   15 o  161.024   2.9249  258.790   9.3865 5.290726 5.849810 
1 1 1    5   19   16 o  291.439   3.8077  850.122   22.194      ?      ? 
1 1 1    5   19   17 o  339.944   2.8449  1156.27   19.337 -8.112823 5.689703 
1 1 1    5   19   18 o  110.120   4.4839  121.399   9.8606 8.294609 8.967734 
1 1 1    5   19   19 o  166.467   3.1265  277.936   10.396 -4.167252 6.253037 
1 1 1    5   19   20 o  186.475   2.9222  348.460   10.894 -2.649704 5.844334 
1 1 1    5   19   21 o  352.860   4.1004  1247.68   28.937      ?      ? 
1 1 1    5   19   22 o  162.434   3.2216  263.989   10.427 4.474091 6.443140 
1 1 1    5   19   23 o  159.981   3.2079  256.701   10.177 0.6133881 6.415836 
1 1 1    5   19   25 o   71.629   7.2215   53.063   10.183 -4.876892 14.44305 
1 1 1    5   19   26 o  130.508   3.9655  171.366   10.244 0.2114410 7.930953 
1 1 1    5   19   27 o  129.230   4.1994  168.482   10.773 5.737022 8.398817 
1 1 1    5   19   28 o  167.879   3.6022  275.447   11.741 57.30104 7.204306 
1 1 1    5   19   29 o  111.616   4.8580  125.423   10.790 6.710838 9.716012 
1 1 1    5   19   30 o   64.879   8.8204   42.775   11.087 31.64537 17.64075 
1 1 1    5   19   31 o   95.188   6.0018   92.550   11.248 2.218407 12.00352 
1 1 1    5   19   32 o  109.960   5.2423  122.153   11.338 3.770874 10.48469 
1 1 1    5   19   33 o  107.874   5.3474  119.117   11.279 -2.439491 10.69486 
1 1 1    5   19   34 o   35.719   9.4964   5.4281   11.117 -18.43862 18.99274 
1 1 1    5   19   35 o   97.759   5.7596   96.517   11.218 9.134972 11.51912 
1 1 1    5   20    0 o  228.825   3.0847  522.703   13.960 -3.566635 6.169327 
1 1 1    5   20    1 o  356.468   3.8280  1269.85   27.268 16.19995 7.655931 
1 1 1    5   20    2 f  344.897   5.4271  1190.76   37.436      ?      ? 
1 1 1    5   20    3 o  297.773   5.1688  887.495   30.783      ?      ? 
1 1 1    5   20    4 o  589.538   8.3049  3483.44   97.921      ?      ? 
1 1 1    5   20    5 o  550.591   7.8269  3037.38   86.189      ?      ? 
1 1 1    5   20    6 o  388.817   6.0196  1513.53   46.810      ?      ? 
1 1 1    5   20    7 o  249.692   3.6727  625.053   18.290 22.04395 7.345500 
1 1 1    5   20    8 o  173.035   6.3015  299.856   21.807      ?      ? 
1 1 1    5   20    9 o  270.126   3.1895  727.018   15.228 -2.470642 6.379057 
1 1 1    5   20   10 o  193.056   6.1238  373.312   23.645      ?      ? 
1 1 1    5   20   11 o  341.465   3.4378  1169.03   21.633 1.474670 6.875662 
1 1 1    5   20   12 o  191.309   3.5472  363.122   11.655 -3.269806 7.094350 
1 1 1    5   20   13 o  256.651   3.2878  661.212   15.165 1.658646 6.575500 
1 1 1    5   20   14 f  528.174   3.7691  2794.41   39.814 -2.783142 7.538178 
1 1 1    5   20   15 o  221.673   2.5279  491.176   11.185 4.085419 5.055776 
1 1 1    5   20   17 o  100.664   4.3544  102.091   8.7246 -5.009392 8.708704 
1 1 1    5   20   18 o   63.079   7.3715   41.198   8.9957 -8.282158 14.74297 
1 1 1    5   20   19 o  145.795   3.3210  213.834   9.6483 -9.077530 6.642058 
1 1 1    5   20   20 o  102.102   4.5130  104.871   9.1783 -0.9746628 9.025927 
1 1 1    5   20   21 o   43.134   9.4761   19.152   9.1449 -5.979370 18.95229 
1 1 1    5   20   22 o  137.340   3.6478  190.524   9.9487 -7.592819 7.295541 
1 1 1    5   20   23 o  228.049   3.8192  520.637   17.419      ?      ? 
1 1 1    5   20   24 o   29.946   8.8764  -0.3245   9.5761 -8.606962 17.75285 
1 1 1    5   20   25 o   51.690   9.1713   29.270   9.4932 -8.819626 18.34255 
1 1 1    5   20   26 o   35.748   9.7137   9.9064   9.7856 -1.877453 19.42747 
1 1 1    5   20   28 o  184.882   4.2587  343.565   15.747      ?      ? 
1 1 1    5   20   29 o   21.585   7.4924 -30.8325   10.667 6.946419 14.98473 
1 1 1    5   20   31 o  105.235   5.5797  114.181   11.407 -6.577431 11.15940 
1 1 1    5   20   32 o   35.723   10.056   8.1429   10.849 -2.900429 20.11179 
1 1 1    5   20   33 o  110.884   5.0915  125.004   11.135 -0.7609558 10.18306 
1 1 1    5   20   34 o  129.376   4.4523  170.174   11.405 -7.116135 8.904569 
1 1 1    5   20   35 o   62.190   8.2940   43.153   10.035 12.86139 16.58799 
1 1 1    5   21    0 o  385.361   4.0557  1486.74   31.252 0.5569763 8.111320 
1 1 1    5   21    1 o  244.975   4.9613  600.637   24.308      ?      ? 
1 1 1    5   21    2 o  571.087   8.0552  3268.85   92.004      ?      ? 
1 1 1    5   21    3 o  295.223   5.1505  872.408   30.411      ?      ? 
1 1 1    5   21    4 o  424.771   6.3322  1807.05   53.795      ?      ? 
1 1 1    5   21    5 o  640.600   8.9891  4116.81  115.169      ?      ? 
1 1 1    5   21    6 f  217.811   5.5372  475.017   24.121      ?      ? 
1 1 1    5   21    7 o  157.537   4.3803  249.139   13.664 2.589905 8.760676 
1 1 1    5   21    8 o  219.782   3.7424  485.132   16.349 6.662796 7.484730 
1 1 1    5   21    9 o  177.957   4.1794  318.508   14.732 5.656799 8.358757 
1 1 1    5   21   10 f  239.722   5.4573  575.565   26.165      ?      ? 
1 1 1    5   21   11 o  152.414   3.9627  229.422   9.6296 -3.407288 7.925338 
1 1 1    5   21   12 o  295.028   3.2705  864.696   17.411 -5.182281 6.540945 
1 1 1    5   21   13 o  381.324   3.6599  1456.70   25.950 0.3979492 7.319807 
1 1 1    5   21   14 o  258.740   3.2785  669.239   15.289 -0.8666077 6.556932 
1 1 1    5   21   15 o   68.128   6.1908   49.933   7.7376 -19.28546 12.38161 
1 1 1    5   21   16 o  175.982   2.6209  310.513   9.1884 -2.626923 5.241819 
1 1 1    5   21   17 o  202.302   2.5023  409.893   10.108 -1.230438 5.004624 
1 1 1    5   21   18 o  183.413   2.6127  336.522   9.5633 3.160034 5.225386 
1 1 1    5   21   19 o   35.687   9.2574   10.553   8.6326 1.069595 18.51479 
1 1 1    5   21   20 o   23.022   7.6219 -11.9646   8.7415 0.7502747 15.24388 
1 1 1    5   21   21 f  126.538   3.7615  162.430   9.4329 -12.79304 7.523046 
1 1 1    5   21   23 o   94.318   4.9854   89.679   9.3826 4.609962 9.970812 
1 1 1    5   21   24 f  158.519   3.2507  251.686   10.255 3.959717 6.501367 
1 1 1    5   21   25 f  202.112   2.8879  410.664   11.620 -0.7678680 5.775889 
1 1 1    5   21   27 o  118.842   4.2086  144.114   9.9001 -14.48410 8.417123 
1 1 1    5   21   28 o  159.958   3.5403  258.708   11.205 -4.695328 7.080658 
1 1 1    5   21   29 o   42.564   8.6933   13.727   10.877 -33.99554 17.38652 
1 1 1    5   21   30 o  161.517   3.7834  262.698   12.083 0.7366028 7.566788 
1 1 1    5   21   31 o   33.405   10.011   1.7673   11.298 7.081751 20.02271 
1 1 1    5   21   32 f   52.673   10.143   29.396   10.844 11.53614 20.28610 
1 1 1    5   21   33 o   79.215   9.4113   64.324   12.515 3.060120 18.82260 
1 1 1    5   21   34 o   31.248   9.5613  -1.2258   11.284 -4.666149 19.12256 
1 1 1    5   22    0 o  350.584   3.9384  1226.61   27.521 13.52762 7.876722 
1 1 1    5   22    1 o  354.990   5.5190  1261.86   39.184      ?      ? 
1 1 1    5   22    2 o  454.694   6.5944  2071.44   59.969      ?      ? 
1 1 1    5   22    3 o  276.600   5.0419  765.949   27.892      ?      ? 
1 1 1    5   22    4 o  177.634   5.5911  315.992   19.863      ?      ? 
1 1 1    5   22    5 o  276.055   5.1316  763.018   28.332      ?      ? 
1 1 1    5   22    6 o  433.076   6.4067  1879.39   55.492      ?      ? 
1 1 1    5   22    7 o  340.452   3.8786  1160.36   26.386 -3.709106 7.757143 
1 1 1    5   22    8 o  388.677   4.2082  1513.70   32.702 0.1962280 8.416439 
1 1 1    5   22    9 o  195.414   3.9109  381.089   15.174 -5.937057 7.821781 
1 1 1    5   22   10 f  470.217   4.8444  2217.38   45.557 3.923798 9.688805 
1 1 1    5   22   11 o  308.759   5.4962  955.085   33.940      ?      ? 
1 1 1    5   22   12 o  256.458   3.1540  648.554   14.196 -7.902435 6.308074 
1 1 1    5   22   13 o  267.744   3.1962  729.022   15.545 10.16861 6.392452 
1 1 1    5   22   14 o  210.442   3.3337  442.089   12.195 -1.446869 6.667344 
1 1 1    5   22   15 o  128.269   4.7039  167.381   9.9484 3.290398 9.407727 
1 1 1    5   22   16 o  240.081   2.3769  577.112   11.405 -0.3921967 4.753832 
1 1 1    5   22   17 f  116.481   3.3566  135.369   7.7353 3.775192 6.713208 
1 1 1    5   22   18 o  228.946   2.4075  524.383   10.997 3.942322 4.814909 
1 1 1    5   22   19 o  186.571   2.5553  349.152   9.5175 -3.986740 5.110503 
1 1 1    5   22   22 o  147.712   3.2293  219.748   9.5240 -9.327438 6.458618 
1 1 1    5   22   23 o  125.224   3.7612  157.583   9.4154 4.051781 7.522348 
1 1 1    5   22   24 o   28.523   12.283  -0.0403   12.701      ?      ? 
1 1 1    5   22   26 o   37.350   13.528   12.619   13.032      ?      ? 
1 1 1    5   22   27 o   23.786   7.9363 -14.6148   9.7799 2.988474 15.87269 
1 1 1    5   22   28 o   70.557   9.7741   54.262   12.002 -7.194313 19.54814 
1 1 1    5   22   29 o  124.369   4.4399  155.688   10.977 4.406570 8.879822 
1 1 1    5   22   30 o  122.263   4.7295  149.450   11.413 9.613228 9.458924 
1 1 1    5   22   31 o   76.946   7.3861   60.984   11.208 3.221191 14.77230 
1 1 1    5   22   32 o   51.188   9.8855   28.147   10.445 10.69343 19.77107 
1 1 1    5   22   33 o   67.307   8.3620   46.200   10.627 36.58240 16.72405 
1 1 1    5   23    0 o  227.440   4.8350  517.943   21.993      ?      ? 
1 1 1    5   23    1 o  430.515   6.2959  1857.42   54.209      ?      ? 
1 1 1    5   23    2 o  356.821   5.5021  1275.33   39.265      ?      ? 
1 1 1    5   23    3 o  219.702   4.9356  483.344   21.687      ?      ? 
1 1 1    5   23    4 o  450.234   6.5416  2032.06   58.905      ?      ? 
1 1 1    5   23    5 o  246.311   4.9673  607.568   24.470      ?      ? 
1 1 1    5   23    6 o  215.507   5.1812  465.183   22.332      ?      ? 
1 1 1    5   23    7 o  125.509   7.8660  158.123   19.745      ?      ? 
1 1 1    5   23    8 o  311.886   3.7891  974.707   23.611 1.960114 7.578271 
1 1 1    5   23    9 o  316.107   3.8115  997.775   24.018 -11.94025 7.622975 
1 1 1    5   23   10 f  145.176   4.7996  213.688   13.753 12.04105 9.599234 
1 1 1    5   23   11 o  149.909   4.5729  225.102   13.624 -2.348984 9.145720 
1 1 1    5   23   12 o  299.754   5.3657  901.124   32.168      ?      ? 
1 1 1    5   23   13 o  116.279   4.6889  135.533   8.1166 0.9834290E-02 9.377831 
1 1 1    5   23   14 o  105.659   5.5033  121.305   8.5086 13.02557 11.00661 
1 1 1    5   23   15 o   87.062   6.6365   79.850   8.7963 6.426392 13.27295 
1 1 1    5   23   16 o   91.297   5.7914   75.764   9.1386 -17.43312 11.58288 
1 1 1    5   23   17 o  110.368   3.2958  120.288   7.1999 11.63457 6.591619 
1 1 1    5   23   18 f   39.493   7.5501   16.729   7.1616 -23.04151 15.10025 
1 1 1    5   23   19 o  227.632   2.5042  517.709   11.377 8.558319 5.008497 
1 1 1    5   23   21 o  130.077   3.3422  171.250   8.6360 -13.37788 6.684422 
1 1 1    5   23   22 o  187.905   2.7819  354.463   10.438 -2.336334 5.563726 
1 1 1    5   23   23 o  157.882   3.2031  252.067   10.086 -12.77512 6.406157 
1 1 1    5   23   25 o  201.574   2.8044  408.253   11.303 -4.517349 5.608818 
1 1 1    5   23   26 o  107.038   4.6825  116.026   9.9982 0.2576447 9.365000 
1 1 1    5   23   27 o  101.604   6.6758  104.220   13.566      ?      ? 
1 1 1    5   23   28 o  133.167   4.0131  177.531   10.641 10.88657 8.026229 
1 1 1    5   23   29 o  128.838   4.2804  169.771   10.874 -11.45919 8.560749 
1 1 1    5   23   30 o   95.341   5.7255   92.959   10.816 0.1845932 11.45107 
1 1 1    5   23   31 o   47.278   10.029   22.742   10.720 18.43822 20.05886 
1 1 1    5   23   32 o  126.818   4.2371  160.143   10.673 17.13373 8.474288 
1 1 1    5   24    0 o  358.450   5.5151  1287.27   39.538      ?      ? 
1 1 1    5   24    1 o  724.636   10.097  5283.89  146.335      ?      ? 
1 1 1    5   24    2 o  453.456   6.5678  2061.66   59.564      ?      ? 
1 1 1    5   24    3 o  610.393   8.5598  3742.51  104.497      ?      ? 
1 1 1    5   24    4 o  244.225   4.9656  597.360   24.255      ?      ? 
1 1 1    5   24    5 o  246.724   4.9828  609.663   24.588      ?      ? 
1 1 1    5   24    6 o  252.645   5.1780  639.406   26.164      ?      ? 
1 1 1    5   24    7 o  366.269   5.8184  1344.80   42.622      ?      ? 
1 1 1    5   24    8 o  385.941   4.1778  1493.23   32.241 10.87787 8.355652 
1 1 1    5   24    9 o  290.610   3.6495  847.102   21.202 6.212128 7.298939 
1 1 1    5   24   10 o  200.055   3.7278  401.716   14.877 2.868652 7.455699 
1 1 1    5   24   11 o  198.406   3.7739  395.445   14.943 7.156021 7.547845 
1 1 1    5   24   12 o  205.922   3.7505  424.784   15.419 -3.888840 7.500903 
1 1 1    5   24   13 o  326.297   3.8385  1068.40   25.044 0.7187195 7.677037 
1 1 1    5   24   14 o  139.015   4.1457  207.549   8.6507 15.17485 8.291458 
1 1 1    5   24   15 f   56.438   8.7662   28.478   7.5164 -10.97607 17.53246 
1 1 1    5   24   16 o  328.192   3.3403  1071.45   19.964 -6.341339 6.680531 
1 1 1    5   24   17 o   55.877   7.8791   48.330   9.7547 50.47556 15.75818 
1 1 1    5   24   19 o   65.803   9.1561   43.898   12.050      ?      ? 
1 1 1    5   24   20 o   48.588   7.8286   25.653   7.3934 -7.674644 15.65728 
1 1 1    5   24   21 o  175.548   2.6133  309.221   9.1228 -1.050400 5.226566 
1 1 1    5   24   22 o   26.845   8.1217  -2.4771   8.4528 -9.123507 16.24333 
1 1 1    5   24   23 o  174.035   4.3375  303.492   15.098      ?      ? 
1 1 1    5   24   25 o  122.620   5.6045  151.686   13.744      ?      ? 
1 1 1    5   24   26 o   79.060   9.4342   63.767   14.917      ?      ? 
1 1 1    5   24   27 o   39.528   9.7692   14.957   9.7343 -6.945190 19.53847 
1 1 1    5   24   28 o   49.332   9.7769   26.732   10.004 -3.583176 19.55387 
1 1 1    5   24   29 o   62.277   8.5305   41.920   10.182 0.4803772 17.06097 
1 1 1    5   24   30 o   23.231   7.8457 -18.0704   10.210 0.2634048E-02 15.69142 
1 1 1    5   24   31 o   85.691   5.8662   74.357   10.003 12.16280 11.73231 
1 1 1    5   25    0 o  345.890   5.3526  1199.15   37.028      ?      ? 
1 1 1    5   25    1 o  310.033   5.0810  963.213   31.505      ?      ? 
1 1 1    5   25    2 o  156.875   5.5095  246.721   17.286      ?      ? 
1 1 1    5   25    3 o  188.308   5.0307  355.386   18.946      ?      ? 
1 1 1    5   25    4 o  164.490   5.4388  271.318   17.892      ?      ? 
1 1 1    5   25    5 o  207.387   4.9866  431.153   20.683      ?      ? 
1 1 1    5   25    6 o  142.869   6.4022  204.962   18.293      ?      ? 
1 1 1    5   25    7 o  186.843   5.4373  350.110   20.318      ?      ? 
1 1 1    5   25    8 o  193.475   5.3869  375.362   20.845      ?      ? 
1 1 1    5   25    9 o  235.195   3.4907  554.646   16.398 0.8894653 6.981435 
1 1 1    5   25   10 o  392.688   4.2006  1548.10   32.989 3.590942 8.401131 
1 1 1    5   25   11 o  196.553   3.7532  387.675   14.729 0.2778168 7.506384 
1 1 1    5   25   12 o  146.384   4.5080  216.057   13.134 4.445557 9.015959 
1 1 1    5   25   13 o  148.816   4.5341  222.372   13.460 -3.727280 9.068194 
1 1 1    5   25   14 o  107.403   6.1136  118.407   12.925 13.60770 12.22711 
1 1 1    5   25   15 o  223.670   3.3057  525.233   12.960 22.39023 6.611466 
1 1 1    5   25   16 o  240.176   5.7777  578.479   27.753      ?      ? 
1 1 1    5   25   17 o  138.878   8.3213  193.943   23.113      ?      ? 
1 1 1    5   25   18 f   91.564   6.5589   88.699   9.8203 6.987785 13.11777 
1 1 1    5   25   19 o  185.438   2.3832  344.459   8.8207 1.802765 4.766400 
1 1 1    5   25   20 o  177.779   2.5105  317.275   8.9206 -5.650436 5.021092 
1 1 1    5   25   21 o   48.336   6.1539   22.886   8.4033 -56.16544 12.30771 
1 1 1    5   25   22 o  223.738   2.5796  499.574   11.501 10.80786 5.159101 
1 1 1    5   25   23 o   75.822   5.6166   60.196   8.2621 -16.71945 11.23321 
1 1 1    5   25   24 f   19.671   6.7714 -21.1701   8.4444 3.744368 13.54285 
1 1 1    5   25   25 o   67.517   6.9517   47.120   9.3115 -7.414181 13.90343 
1 1 1    5   25   26 o   54.818   8.6202   32.826   9.4299 -16.01471 17.24042 
1 1 1    5   25   27 o  156.506   3.3533  246.961   10.450 -2.581894 6.706687 
1 1 1    5   25   28 o  109.738   4.6291  122.085   10.129 1.906464 9.258173 
1 1 1    5   25   29 o   25.698   8.3542  -9.1470   9.8497 -1.341036 16.70831 
1 1 1    5   25   30 o   92.977   5.4585   87.633   10.141 5.529099 10.91694 
1 1 1    5   25   31 o   65.137   7.7538   53.920   9.7395 14.58780 15.50761 
1 1 1    5   26    0 f   99.666   7.4003   99.851   14.751      ?      ? 
1 1 1    5   26    1 o  121.661   6.1846  148.553   15.048      ?      ? 
1 1 1    5   26    2 o   64.201   11.811   43.056   14.598      ?      ? 
1 1 1    5   26    3 o  123.968   6.2341  154.261   15.457      ?      ? 
1 1 1    5   26    4 o  328.155   5.1899  1079.77   34.062      ?      ? 
1 1 1    5   26    5 o   99.534   8.1362   99.764   16.197      ?      ? 
1 1 1    5   26    6 o  100.001   8.1989  100.751   16.398      ?      ? 
1 1 1    5   26    7 o  137.241   6.2805  189.216   17.239      ?      ? 
1 1 1    5   26    8 o  195.676   5.1194  384.136   20.035      ?      ? 
1 1 1    5   26    9 o  229.119   3.3933  526.476   15.512 -0.8480225 6.786604 
1 1 1    5   26   10 o  190.815   3.6001  360.213   13.620 -20.70451 7.200163 
1 1 1    5   26   11 o  182.939   3.7079  337.907   13.468 10.50844 7.415787 
1 1 1    5   26   12 o  257.753   3.5118  666.564   18.050 -1.966705 7.023541 
1 1 1    5   26   14 o  282.199   3.7549  761.495   20.629 -56.95584 7.509756 
1 1 1    5   26   15 o  155.035   5.6875  263.885   15.443 89.76627 11.37502 
1 1 1    5   26   16 o  152.767   3.9780  229.728   9.4472 -5.089066 7.955947 
1 1 1    5   26   17 o  114.561   4.9083  136.324   7.7058 5.394844 9.816533 
1 1 1    5   26   18 f  149.073   3.7081  208.735   8.7254 -15.51305 7.416198 
1 1 1    5   26   19 o   82.311   7.4418   78.020   8.8452 15.20646 14.88361 
1 1 1    5   26   22 o   86.246   4.4102   75.757   7.5290 -4.655899 8.820406 
1 1 1    5   26   24 o  111.598   3.8791  127.511   8.5402 -13.55849 7.758275 
1 1 1    5   26   25 o   91.974   4.7365   85.801   8.6510 -1.409340 9.473069 
1 1 1    5   26   26 o  102.903   4.4950  106.909   9.2366 4.783813 8.989910 
1 1 1    5   26   27 o  119.911   4.0812  145.872   9.7606 -7.184631 8.162393 
1 1 1    5   26   28 o   23.736   7.8689 -13.3627   9.5284 -3.231096 15.73778 
1 1 1    5   26   29 o  107.802   4.4696  117.668   9.6141 6.891739 8.939221 
1 1 1    5   26   30 o   28.058   12.075   7.1278   12.261      ?      ? 
1 1 1    5   27    0 o  352.409   5.3193  1246.29   37.491      ?      ? 
1 1 1    5   27    1 o  273.009   4.6371  747.342   25.319      ?      ? 
1 1 1    5   27    2 o  248.361   4.5488  618.458   22.595      ?      ? 
1 1 1    5   27    3 o  159.489   5.1446  255.251   16.410      ?      ? 
1 1 1    5   27    4 o  154.963   5.4259  241.103   16.816      ?      ? 
1 1 1    5   27    5 o  286.321   4.8913  822.611   28.010      ?      ? 
1 1 1    5   27    6 o  146.013   5.8532  214.271   17.093      ?      ? 
1 1 1    5   27    7 o  179.060   5.2351  321.911   18.748      ?      ? 
1 1 1    5   27    8 o  207.307   5.0162  431.357   20.798      ?      ? 
1 1 1    5   27    9 o   87.187   9.3827   77.090   16.361      ?      ? 
1 1 1    5   27   11 f   64.337   9.5230   43.503   11.721 -3.389091 19.04598 
1 1 1    5   27   12 o  244.952   3.5702  602.633   17.290 4.832352 7.140354 
1 1 1    5   27   13 o  149.221   4.8690  242.867   13.340 50.96447 9.738000 
1 1 1    5   27   14 o   79.221   7.7773   64.024   12.115 -4.767242 15.55456 
1 1 1    5   27   15 o  162.901   4.2998  269.232   13.889 11.92609 8.599607 
1 1 1    5   27   16 o  124.278   5.3577  159.586   13.029 21.72068 10.71535 
1 1 1    5   27   17 o  102.535   6.2659  112.734   12.322 27.53645 12.53182 
1 1 1    5   27   18 o  146.374   6.6402  215.241   19.439      ?      ? 
1 1 1    5   27   19 o   27.004   8.5289  -2.0457   8.1272 -3.635029 17.05788 
1 1 1    5   27   20 o  153.303   3.6815  237.574   9.5774 1.565979 7.363074 
1 1 1    5   27   21 o   17.880   6.1063 -19.7775   6.9359 -7.473145 12.21256 
1 1 1    5   27   22 o   87.634   4.2420   76.942   7.4072 10.54934 8.483989 
1 1 1    5   27   23 o   22.612   7.3356  -6.9303   7.5329 -0.3775997 14.67122 
1 1 1    5   27   24 o   57.104   7.2035   35.277   7.8389 -15.13973 14.40705 
1 1 1    5   27   25 o   31.573   8.6954   6.8684   7.9746 -3.068565 17.39075 
1 1 1    5   27   26 o   72.525   5.8829   52.709   8.3759 19.67707 11.76589 
1 1 1    5   27   27 o  189.223   2.8209  360.156   10.662 -3.297012 5.641736 
1 1 1    5   27   28 o  107.092   4.4609  116.023   9.5416 3.031174 8.921840 
1 1 1    5   28    0 o  287.397   4.6730  828.649   26.860      ?      ? 
1 1 1    5   28    1 o  219.372   4.3904  482.621   19.263      ?      ? 
1 1 1    5   28    2 o   55.739   12.650   33.035   13.783      ?      ? 
1 1 1    5   28    3 o   71.341   10.268   51.724   14.650      ?      ? 
1 1 1    5   28    4 o  182.165   4.8765  333.128   17.766      ?      ? 
1 1 1    5   28    5 o  164.025   5.1645  270.358   16.942      ?      ? 
1 1 1    5   28    7 f   48.849   14.977   24.969   16.018      ?      ? 
1 1 1    5   28    8 o  254.826   4.9184  650.735   25.067      ?      ? 
1 1 1    5   28    9 o  348.594   5.5201  1217.35   38.486      ?      ? 
1 1 1    5   28   10 o  186.429   4.0961  342.394   14.173 96.92575 8.192105 
1 1 1    5   28   11 o  138.365   4.3561  195.071   11.772 6.372528 8.712115 
1 1 1    5   28   12 o  119.146   4.8918  139.881   11.403 -13.05388 9.783635 
1 1 1    5   28   13 o  163.288   4.0105  265.961   12.901 -8.094910 8.021077 
1 1 1    5   28   14 o  127.574   4.8778  163.383   12.289 -4.434540 9.755560 
1 1 1    5   28   15 o   70.710   9.0982   64.280   12.552 56.94791 18.19650 
1 1 1    5   28   16 o  153.061   4.7749  231.155   14.388 -38.26469 9.549756 
1 1 1    5   28   17 o  109.947   8.7199  154.732   13.599 116.4022 17.43988 
1 1 1    5   28   18 o  241.325   3.5990  586.576   17.360 -0.6336060 7.198041 
1 1 1    5   28   19 o  183.291   3.3344  342.255   10.358 4.799118 6.668792 
1 1 1    5   28   20 o  102.254   5.1281   95.541   8.6107 -16.61801 10.25623 
1 1 1    5   28   21 o  263.482   3.2294  694.834   15.173 -2.530731 6.458708 
1 1 1    5   28   22 o  134.808   2.8492  181.946   7.6681 7.294693 5.698396 
1 1 1    5   28   23 o   26.455   7.8348   0.1889   7.3300 -7.293297 15.66967 
1 1 1    5   28   24 o   52.929   7.4411   30.017   7.6895 -11.20657 14.88215 
1 1 1    5   28   25 o  105.452   3.9175  112.226   8.2437 0.4786148 7.835094 
1 1 1    5   28   26 o  126.132   3.5129  160.453   8.8253 -2.052795 7.025777 
1 1 1    5   28   27 o   69.851   8.5612   49.798   11.960      ?      ? 
1 1 1    5   29    0 o  228.599   4.6708  523.387   21.355      ?      ? 
1 1 1    5   29    1 o  288.945   4.8329  836.250   27.929      ?      ? 
1 1 1    5   29    2 o  303.263   4.9486  921.147   30.015      ?      ? 
1 1 1    5   29    3 o  208.045   4.7160  433.401   19.623      ?      ? 
1 1 1    5   29    4 o  169.336   5.1494  287.195   17.440      ?      ? 
1 1 1    5   29    5 o   32.866   13.811   1.5564   15.398      ?      ? 
1 1 1    5   29    6 o  105.678   7.8071  112.444   16.501      ?      ? 
1 1 1    5   29    7 o   66.948   12.349   47.775   15.914      ?      ? 
1 1 1    5   29    8 o  212.862   4.8266  455.810   20.548      ?      ? 
1 1 1    5   29    9 o   96.337   8.2533   94.028   15.902      ?      ? 
1 1 1    5   29   10 o   93.298   8.9017   88.468   16.610      ?      ? 
1 1 1    5   29   11 o  154.492   3.9997  240.449   12.235 1.069443 7.999496 
1 1 1    5   29   12 f  128.282   4.9828  168.835   12.563 9.837288 9.965698 
1 1 1    5   29   14 f  321.800   3.8550  1038.77   24.801 6.375519 7.709938 
1 1 1    5   29   15 o  172.596   4.3376  303.395   14.794 23.67844 8.675102 
1 1 1    5   29   16 o  169.414   4.2558  290.002   14.396 0.7351379 8.511665 
1 1 1    5   29   17 o  148.467   4.6852  223.485   13.894 0.9843140 9.370346 
1 1 1    5   29   18 o  186.391   4.1378  349.485   15.408 -7.632019 8.275551 
1 1 1    5   29   19 o  190.999   4.1454  368.682   15.796 11.85100 8.290705 
1 1 1    5   29   20 o   35.827   10.747   1.8085   13.697 5.928349 21.49425 
1 1 1    5   29   21 o  142.814   4.2221  212.163   9.5030 7.797256 8.444225 
1 1 1    5   29   22 o   49.714   9.2438   30.263   8.7340 16.57905 18.48751 
1 1 1    5   29   23 o   93.948   5.6941   81.081   9.1311 -17.41435 11.38813 
1 1 1    5   29   24 o   56.531   7.2159   36.460   7.7500 -38.70631 14.43190 
1 1 1    5   29   25 o   70.238   5.6079   50.117   7.8754 2.395042 11.21574 
1 1 1    5   29   26 o   36.568   7.9370   10.070   8.0808 -25.77617 15.87403 
1 1 1    5   30    0 o   34.385   13.323   8.2677   13.090      ?      ? 
1 1 1    5   30    1 o   40.268   13.971   15.466   13.770      ?      ? 
1 1 1    5   30    2 o   74.273   9.5196   56.173   14.141      ?      ? 
1 1 1    5   30    3 o  147.128   5.3345  217.658   15.697      ?      ? 
1 1 1    5   30    4 o  125.248   6.1036  157.997   15.289      ?      ? 
1 1 1    5   30    5 o   62.267   12.550   41.318   15.081      ?      ? 
1 1 1    5   30    6 o   80.362   9.6464   65.852   15.504      ?      ? 
1 1 1    5   30    7 o  125.856   6.5352  159.792   16.450      ?      ? 
1 1 1    5   30    8 o  110.396   7.6445  123.463   16.879      ?      ? 
1 1 1    5   30    9 o  132.647   7.0015  179.387   18.575      ?      ? 
1 1 1    5   30   10 o   34.727   14.996   0.0317   19.034      ?      ? 
1 1 1    5   30   11 o  225.699   5.7447  511.057   25.931      ?      ? 
1 1 1    5   30   12 o  201.533   4.1661  415.267   16.480 27.93810 8.332266 
1 1 1    5   30   13 o   22.637   7.8888 -41.9450   13.208 4.708748 15.77766 
1 1 1    5   30   14 o  172.701   4.1419  301.632   14.277 5.795151 8.283721 
1 1 1    5   30   15 o   53.882   10.404   31.321   12.713 27.13853 20.80816 
1 1 1    5   30   16 o  124.489   5.4743  156.935   13.597 -1.046715 10.94857 
1 1 1    5   30   17 o  167.132   4.5232  281.393   15.088 -5.207321 9.046405 
1 1 1    5   30   18 o   51.782   11.555   29.411   13.575 7.762470 23.10975 
1 1 1    5   30   19 o   61.915   11.043   41.988   13.906 -17.98478 22.08692 
1 1 1    5   30   20 f  177.002   4.5485  317.415   16.085 2.647568 9.097094 
1 1 1    5   30   21 o  138.367   5.5522  196.127   15.314 9.538116 11.10443 
1 1 1    5   30   22 o   75.798   9.9006   62.264   14.537 -20.74126 19.80125 
1 1 1    5   30   23 o  101.247   5.8007  109.038   9.0626 8.217415 11.60144 
1 1 1    5   30   24 o  122.351   4.8652  149.991   9.9361 -1.472260 9.730373 
1 1 1    5   30   25 o  143.165   3.9711  207.546   11.371      ?      ? 
1 1 1    5   31    0 f  127.581   5.8723  164.478   14.984      ?      ? 
1 1 1    5   31    1 o  161.811   5.1626  264.023   16.707      ?      ? 
1 1 1    5   31    2 o  131.655   6.1757  175.672   16.261      ?      ? 
1 1 1    5   31    3 o  122.959   6.7340  154.127   16.560      ?      ? 
1 1 1    5   31    4 o  107.531   7.8081  118.951   16.792      ?      ? 
1 1 1    5   31    5 o   20.514   10.197 -38.7039   16.262      ?      ? 
1 1 1    5   31    6 f   49.258   15.336   25.118   16.708      ?      ? 
1 1 1    5   31    7 o  321.144   5.3459  1034.15   34.336      ?      ? 
1 1 1    5   31    8 o  307.752   5.3695  949.849   33.050      ?      ? 
1 1 1    5   31    9 o  174.388   6.1914  306.228   21.594      ?      ? 
1 1 1    5   31   10 o  228.710   5.4194  527.530   24.789      ?      ? 
1 1 1    5   31   11 o  152.063   6.7403  234.176   20.499      ?      ? 
1 1 1    5   31   12 o   67.079   9.7339   49.237   12.540 2.181168 19.46777 
1 1 1    5   31   13 o   38.196   10.835   7.7676   12.822 -7.490292 21.66919 
1 1 1    5   31   14 o  230.050   3.7676  532.197   17.335 -1.200897 7.535283 
1 1 1    5   31   15 f  161.827   4.5177  265.453   14.587 5.514008 9.035484 
1 1 1    5   31   16 o   30.559   9.7833  -8.7845   13.021 3.367270 19.56669 
1 1 1    5   31   17 o   49.349   10.433   23.852   13.214 29.29786 20.86671 
1 1 1    5   31   18 o   79.244   8.9328   67.280   13.672 11.78718 17.86557 
1 1 1    5   31   19 o   72.753   10.075   58.325   14.121 4.914284 20.15029 
1 1 1    5   31   20 o  117.387   6.3582  141.433   14.880 -12.70297 12.71639 
1 1 1    5   31   21 o   48.137   11.740   21.142   14.692 19.38568 23.48091 
1 1 1    5   31   22 o  122.991   6.0635  155.131   14.795 -16.26225 12.12710 
1 1 1    5   31   23 o  103.392   7.2133  111.768   14.647 -8.580078 14.42657 
1 1 1    5   32    0 o   56.945   13.175   34.559   14.719      ?      ? 
1 1 1    5   32    1 o  169.219   5.3522  287.645   18.114      ?      ? 
1 1 1    5   32    2 o  204.844   5.1441  421.587   21.075      ?      ? 
1 1 1    5   32    3 o  284.949   5.1663  816.661   29.442      ?      ? 
1 1 1    5   32    4 o   81.726   10.581   68.769   17.295      ?      ? 
1 1 1    5   32    5 o   94.590   8.7923   91.480   16.633      ?      ? 
1 1 1    5   32    6 o  114.788   7.3947  133.792   16.977      ?      ? 
1 1 1    5   32    7 o  210.720   5.0588  447.260   21.320      ?      ? 
1 1 1    5   32    8 o  177.515   5.5729  318.112   19.785      ?      ? 
1 1 1    5   32    9 o   89.038   10.132   81.698   18.044      ?      ? 
1 1 1    5   32   10 o   94.258   9.6326   90.847   18.159      ?      ? 
1 1 1    5   32   11 o  167.768   5.9665  283.440   20.020      ?      ? 
1 1 1    5   32   12 o  111.094   8.6524  125.768   19.225      ?      ? 
1 1 1    5   32   13 o   29.109   9.3414 -13.1335   12.723 9.239582 18.68284 
1 1 1    5   32   14 o  110.313   5.9692  124.622   13.053 4.698944 11.93846 
1 1 1    5   32   15 o  164.936   4.3156  276.327   14.175 11.71017 8.631103 
1 1 1    5   32   16 o  113.649   5.9823  131.767   13.562 -2.110733 11.96459 
1 1 1    5   32   17 o   43.879   10.233   11.304   13.639 31.59883 20.46638 
1 1 1    5   32   18 o   57.911   11.669   37.515   14.172 5.255768 23.33874 
1 1 1    5   32   19 o   71.937   10.423   56.903   14.429 1.397385 20.84591 
1 1 1    5   32   20 o  168.925   4.7229  288.435   15.936 3.341476 9.445710 
1 1 1    5   32   21 o   94.916   7.7868   93.578   14.606 -3.670509 15.57362 
1 1 1    5   32   22 o   82.318   8.8933   97.371   13.947 -6.721756 17.78658 
1 1 1    5   33    0 o  144.455   5.4704  210.548   15.805      ?      ? 
1 1 1    5   33    1 o  227.900   4.6752  522.779   21.310      ?      ? 
1 1 1    5   33    2 o  152.661   5.6181  235.208   17.153      ?      ? 
1 1 1    5   33    3 o  145.367   6.0081  213.454   17.468      ?      ? 
1 1 1    5   33    4 o   33.546   14.089   2.9147   16.009      ?      ? 
1 1 1    5   33    5 o  167.582   5.4243  282.749   18.180      ?      ? 
1 1 1    5   33    6 o  204.817   5.0266  421.672   20.591      ?      ? 
1 1 1    5   33    7 o  132.971   6.7715  178.420   18.008      ?      ? 
1 1 1    5   33    8 f   55.682   15.094   33.845   17.230      ?      ? 
1 1 1    5   33    9 o   78.765   11.362   64.895   17.898      ?      ? 
1 1 1    5   33   10 o  192.810   5.6097  375.504   21.632      ?      ? 
1 1 1    5   33   11 o  144.120   6.9057  210.405   19.905      ?      ? 
1 1 1    5   33   12 o  181.339   5.8839  332.365   21.340      ?      ? 
1 1 1    5   33   13 o   53.574   16.034   31.569   18.508      ?      ? 
1 1 1    5   33   14 f  118.889   5.6055  145.010   13.246 10.64932 11.21100 
1 1 1    5   33   15 o   77.370   9.0243   64.844   13.449 12.12457 18.04865 
1 1 1    5   33   16 o  145.349   5.0266  214.611   14.611 -1.909683 10.05312 
1 1 1    5   33   17 o  162.572   4.7027  267.343   15.266 12.05388 9.405398 
1 1 1    5   33   18 o  113.152   6.4050  130.742   14.484 1.111328 12.81008 
1 1 1    5   33   19 o   77.677   8.8666   64.096   13.348 -5.835106 17.73317 
1 1 1    5   33   20 f   83.166   7.9049   73.634   12.798 26.04324 15.80989 
1 1 1    5   34    0 o   79.331   9.8647   65.138   15.651      ?      ? 
1 1 1    5   34    1 o  132.614   6.0215  178.178   15.971      ?      ? 
1 1 1    5   34    2 o  136.136   5.8819  187.692   16.015      ?      ? 
1 1 1    5   34    3 o   30.975   13.392  -0.0501   15.213      ?      ? 
1 1 1    5   34    4 o   97.687   8.0963   97.519   15.818      ?      ? 
1 1 1    5   34    5 o  116.764   7.1517  138.391   16.701      ?      ? 
1 1 1    5   34    6 o   94.140   9.0886   90.615   17.112      ?      ? 
1 1 1    5   34    7 o  123.963   7.3123  156.000   18.129      ?      ? 
1 1 1    5   34    8 o  107.946   8.4064  119.081   18.149      ?      ? 
1 1 1    5   34    9 o  154.813   6.3210  242.637   19.571      ?      ? 
1 1 1    5   34   10 f   70.527   13.297   53.868   18.070      ?      ? 
1 1 1    5   34   11 o   57.995   15.409   37.511   18.181      ?      ? 
1 1 1    5   34   12 o  108.663   8.5032  121.110   18.480      ?      ? 
1 1 1    5   34   13 o  149.995   6.4900  228.082   19.469      ?      ? 
1 1 1    5   34   14 o  161.061   6.1888  262.542   19.936      ?      ? 
1 1 1    5   34   15 o  138.173   7.0972  193.854   19.613      ?      ? 
1 1 1    5   34   16 o  108.099   6.5802  119.759   14.115 -2.961685 13.16044 
1 1 1    5   34   17 o   34.914   10.530   1.8428   12.953 1.549858 21.06092 
1 1 1    5   34   18 o   60.732   9.6608   54.307   12.871 -39.97729 19.32160 
1 1 1    5   35    0 o  197.889   4.9563  394.560   19.616      ?      ? 
1 1 1    5   35    1 o  158.934   5.5079  254.954   17.508      ?      ? 
1 1 1    5   35    2 o  159.693   5.4646  257.345   17.453      ?      ? 
1 1 1    5   35    3 o   76.727   10.314   60.769   15.827      ?      ? 
1 1 1    5   35    4 o  104.383   8.0572  111.108   16.821      ?      ? 
1 1 1    5   35    5 o  130.254   6.6379  171.974   17.292      ?      ? 
1 1 1    5   35    6 o   86.066   9.8491   76.390   16.954      ?      ? 
1 1 1    5   35    7 o  178.685   5.5303  322.624   19.764      ?      ? 
1 1 1    5   35    8 o  178.902   5.6050  323.643   20.055      ?      ? 
1 1 1    5   35    9 o  143.101   6.6097  207.791   18.917      ?      ? 
1 1 1    5   35   10 o   95.800   9.4395   94.301   18.086      ?      ? 
1 1 1    5   35   11 o   56.046   15.424   34.958   17.825      ?      ? 
1 1 1    5   35   12 o   68.310   13.391   50.616   17.643      ?      ? 
1 1 1    5   35   13 o  113.575   7.8660  131.029   17.868      ?      ? 
1 1 1    5   35   14 f  118.429   7.4410  142.380   17.625      ?      ? 
1 1 1    5   35   15 o  179.689   5.3487  326.930   19.222      ?      ? 
1 1 1    5   36    0 o  118.368   3.6746  140.725   8.6990      ?      ? 
1 1 1    5   36    1 o  114.451   6.9181  133.023   15.836      ?      ? 
1 1 1    5   36    2 o  175.773   5.1679  311.594   18.167      ?      ? 
1 1 1    5   36    3 o  116.869   7.0504  138.705   16.480      ?      ? 
1 1 1    5   36    4 o  196.954   4.9982  390.898   19.688      ?      ? 
1 1 1    5   36    5 o  145.034   6.0473  212.758   17.541      ?      ? 
1 1 1    5   36    6 o  136.373   6.3952  188.447   17.443      ?      ? 
1 1 1    5   36    7 o  138.025   6.3252  192.959   17.461      ?      ? 
1 1 1    5   36    8 o  116.896   7.2639  138.708   16.982      ?      ? 
1 1 1    5   36    9 o  106.142   8.0576  114.537   17.105      ?      ? 
1 1 1    5   36   10 o  100.607   8.5273  103.133   17.158      ?      ? 
1 1 1    5   36   11 o   59.485   13.845   38.759   16.178      ?      ? 
1 1 1    5   36   12 o  103.063   7.5225  109.413   15.506      ?      ? 
1 1 1    5   37    0 o  236.318   3.0013  559.741   14.185      ?      ? 
1 1 1    5   37    1 o  162.690   4.9538  266.333   16.119      ?      ? 
1 1 1    5   37    2 f  147.884   5.2901  220.258   15.646      ?      ? 
1 1 1    5   37    3 o  138.757   5.5804  194.082   15.486      ?      ? 
1 1 1    5   37    4 o  133.915   5.6980  180.875   15.261      ?      ? 
1 1 1    5   37    5 o  186.056   4.5994  348.204   17.115      ?      ? 
1 1 1    5   37    6 o   41.837   13.964   17.892   13.720      ?      ? 
1 1 1    5   37    7 o   46.862   13.578   24.208   13.461      ?      ? 
1 1 1    5   37    8 o  124.426   5.8723  160.015   14.613      ?      ? 
1 1 1    6    0    3 o  125.597   4.1895  158.323   10.498 -0.000000 0.000000 
1 1 1    6    0    4 o  229.359   3.9033  526.666   17.894 -0.000000 0.000000 
1 1 1    6    0    5 o  188.504   3.8587  355.894   14.534 -0.000000 0.000000 
1 1 1    6    0    6 f  284.634   3.1242  811.109   17.775 -0.000000 0.000000 
1 1 1    6    0    7 o  243.397   2.9407  593.189   14.304 -0.000000 0.000000 
1 1 1    6    0    8 o  234.093   2.9856  549.014   13.958 -0.000000 0.000000 
1 1 1    6    0    9 o  470.201   4.6982  2214.24   44.160 -0.000000 0.000000 
1 1 1    6    0   10 o  102.690   4.8332  107.667   9.7631 -0.000000 0.000000 
1 1 1    6    0   11 o  196.709   3.2770  388.440   12.852 -0.000000 0.000000 
1 1 1    6    0   12 o  311.295   3.5537  968.676   22.092 -0.000000 0.000000 
1 1 1    6    0   13 o  132.647   4.5474  177.337   11.999 -0.000000 0.000000 
1 1 1    6    0   14 o  139.081   4.7462  195.025   13.128 -0.000000 0.000000 
1 1 1    6    0   15 f  127.375   5.6790  164.848   14.291 -0.000000 0.000000 
1 1 1    6    0   16 o  781.941   7.6766  6125.30  119.993 -0.000000 0.000000 
1 1 1    6    0   17 o  410.610   4.5303  1687.91   37.179 -0.000000 0.000000 
1 1 1    6    0   18 o  308.966   4.1677  955.916   25.725 -0.000000 0.000000 
1 1 1    6    0   20 o  620.329   6.2956  3842.05   77.891 -0.000000 0.000000 
1 1 1    6    0   21 o  252.032   4.6057  637.022   23.177 -0.000000 0.000000 
1 1 1    6    0   22 o  307.375   4.5032  946.635   27.657 -0.000000 0.000000 
1 1 1    6    0   23 o  368.475   4.5567  1357.65   33.525 -0.000000 0.000000 
1 1 1    6    0   24 f   39.623   15.790   21.592   18.785 -0.000000 0.000000 
1 1 1    6    0   25 f   27.538   12.972  -6.9536   18.681 -0.000000 0.000000 
1 1 1    6    0   26 o  234.708   4.6769  550.982   21.869 -0.000000 0.000000 
1 1 1    6    0   27 o  203.012   5.0058  414.740   20.245 -0.000000 0.000000 
1 1 1    6    0   28 o  144.912   6.2015  213.690   17.779 -0.000000 0.000000 
1 1 1    6    0   29 o   28.967   12.888   2.7682   16.061 -0.000000 0.000000 
1 1 1    6    0   30 o   30.299   13.210   5.2127   16.285 -0.000000 0.000000 
1 1 1    6    0   32 o  160.348   6.0576  261.742   19.179 -0.000000 0.000000 
1 1 1    6    0   33 o   23.241   11.294 -12.8015   15.925 -0.000000 0.000000 
1 1 1    6    0   35 o   19.777   9.9537 -27.2841   16.029 -0.000000 0.000000 
1 1 1    6    0   37 o   24.338   11.790 -11.8727   17.553 -0.000000 0.000000 
1 1 1    6    0   38 o  110.096   8.6189  126.270   18.126 -0.000000 0.000000 
1 1 1    6    0   39 o   40.305   15.703   25.093   17.877 -0.000000 0.000000 
1 1 1    6    0   40 o   88.846   10.851   85.413   17.527 -0.000000 0.000000 
1 1 1    6    1    3 o  231.540   2.7312  536.407   12.647 0.2272797 5.462383 
1 1 1    6    1    4 o  516.739   5.0772  2675.45   52.469 -3.116455 10.15439 
1 1 1    6    1    5 o  213.130   2.7681  454.342   11.797 5.809219 5.536257 
1 1 1    6    1    6 o  185.793   1.9635  345.302   7.2953 -0.1976318 3.926956 
1 1 1    6    1    7 o  204.812   2.0218  419.610   8.2816 2.348007 4.043659 
1 1 1    6    1    8 o   65.798   4.5745   43.654   5.9731 8.814751 9.148938 
1 1 1    6    1    9 o  296.010   2.3344  876.658   13.820 0.6542969 4.668801 
1 1 1    6    1   10 o  297.201   2.3862  883.686   14.183 1.982666 4.772334 
1 1 1    6    1   11 o  344.765   2.6238  1189.09   18.090 -3.334198 5.247697 
1 1 1    6    1   12 o   38.338   8.4400   14.124   7.5152 12.29041 16.87994 
1 1 1    6    1   14 o  301.664   2.6033  909.873   15.702 -6.696808 5.206690 
1 1 1    6    1   15 o  512.539   3.6832  2628.39   37.752 -4.643341 7.366388 
1 1 1    6    1   16 o  226.723   2.8747  514.133   13.030 -1.313126 5.749458 
1 1 1    6    1   17 o  276.354   2.8482  764.033   15.741 0.5993652 5.696455 
1 1 1    6    1   18 o   70.709   8.5760   51.181   11.765 -12.18441 17.15199 
1 1 1    6    1   19 o  352.941   4.4111  1246.29   31.137      ?      ? 
1 1 1    6    1   21 o  241.782   4.6498  585.022   22.485      ?      ? 
1 1 1    6    1   23 o  310.964   3.1228  967.748   19.421 -2.378265 6.245620 
1 1 1    6    1   24 o  122.729   5.4542  151.066   13.385 3.406273 10.90831 
1 1 1    6    1   25 o  383.013   3.2433  1468.79   24.844 1.220886 6.486603 
1 1 1    6    1   26 o  199.476   3.6305  398.380   14.481 4.362289 7.260918 
1 1 1    6    1   27 o  326.046   3.0887  1064.97   20.140 -3.406158 6.177323 
1 1 1    6    1   28 o   36.485   10.461   5.8822   11.901 0.7303810 20.92104 
1 1 1    6    1   29 o  199.401   3.2893  398.795   13.114 2.429901 6.578572 
1 1 1    6    1   30 f  125.240   4.7134  158.092   11.790 -4.848442 9.426785 
1 1 1    6    1   32 o   91.309   7.0700   86.965   12.684 -17.02647 14.14001 
1 1 1    6    1   33 o   43.273   10.519   18.046   11.099 -5.590260 21.03749 
1 1 1    6    1   34 o  170.647   5.2131  292.097   17.792      ?      ? 
1 1 1    6    1   35 o   83.010   6.8452   71.358   11.255 9.754417 13.69033 
1 1 1    6    1   36 o  234.356   4.4265  551.597   20.748      ?      ? 
1 1 1    6    1   37 o  172.172   3.9347  299.161   13.547 3.776398 7.869426 
1 1 1    6    1   38 o  118.530   5.4607  143.049   12.881 15.56187 10.92143 
1 1 1    6    1   39 o   32.585   10.001  -2.8313   12.522 7.777426 20.00150 
1 1 1    6    1   40 o   82.706   7.3855   70.190   12.207 -3.958725 14.77110 
1 1 1    6    2    3 o  271.069   2.9605  735.167   16.048 -2.428192 5.920981 
1 1 1    6    2    4 o  164.337   2.6657  270.049   8.7588 -4.850891 5.331475 
1 1 1    6    2    5 o  266.983   2.9753  713.165   15.885 5.192139 5.950531 
1 1 1    6    2    6 o  376.534   2.7057  1418.69   20.376 0.2261353 5.411405 
1 1 1    6    2    7 o  198.597   2.0324  394.585   8.0718 1.231567 4.064824 
1 1 1    6    2    8 o  206.053   2.0865  424.687   8.5978 -2.406647 4.172939 
1 1 1    6    2    9 o  128.804   2.5962  165.927   6.6831 -6.876678 5.192354 
1 1 1    6    2   10 o  312.000   2.4417  973.882   15.235 1.673981 4.883362 
1 1 1    6    2   11 o  473.204   3.3619  2241.11   31.817 2.569916 6.723892 
1 1 1    6    2   12 o   67.673   5.6408   46.403   7.5209 13.10727 11.28165 
1 1 1    6    2   13 o  235.786   2.4190  556.092   11.407 -2.961578 4.838013 
1 1 1    6    2   14 f  582.575   4.0952  3396.93   47.715 1.539795 8.190476 
1 1 1    6    2   15 o  117.429   4.1591  137.962   9.7642 -4.620117 8.318200 
1 1 1    6    2   16 o  651.416   4.5695  4246.59   59.526 6.752441 9.139055 
1 1 1    6    2   17 o  454.504   3.4158  2064.54   31.025 -12.23950 6.831665 
1 1 1    6    2   18 o  194.191   3.4212  377.341   13.285 4.738297 6.842404 
1 1 1    6    2   19 o  451.230   4.9459  2037.35   44.635      ?      ? 
1 1 1    6    2   20 o  409.718   3.3444  1679.54   27.404 -1.548523 6.688781 
1 1 1    6    2   21 o   66.652   10.249   46.499   13.300 -8.206951 20.49818 
1 1 1    6    2   23 o  345.638   3.1425  1195.44   21.719 3.003357 6.284939 
1 1 1    6    2   24 o  220.175   3.4285  485.393   15.093 -1.086227 6.857038 
1 1 1    6    2   25 o  253.295   3.1934  642.401   16.176 -4.218262 6.386894 
1 1 1    6    2   26 o  180.333   3.8898  325.790   14.019 -9.438110 7.779693 
1 1 1    6    2   27 o  207.584   3.4405  431.886   14.283 -0.7006073 6.880902 
1 1 1    6    2   28 o   38.861   10.492   9.2627   11.803 -10.63615 20.98413 
1 1 1    6    2   29 o  178.240   3.5338  318.752   12.596 -1.061508 7.067511 
1 1 1    6    2   30 o  125.075   4.6515  157.519   11.624 -1.469337 9.302928 
1 1 1    6    2   31 o   78.909   12.138   63.092   19.156      ?      ? 
1 1 1    6    2   32 f   68.221   9.4489   50.379   12.432 -6.090187 18.89784 
1 1 1    6    2   33 o   49.147   10.338   25.638   10.905 -0.8570251 20.67626 
1 1 1    6    2   34 o  209.870   4.5246  441.367   18.991      ?      ? 
1 1 1    6    2   35 o   19.620   6.9086 -37.7235   10.769 0.2190037 13.81711 
1 1 1    6    2   36 o  135.568   6.4605  185.407   17.517      ?      ? 
1 1 1    6    2   37 o  127.786   5.0019  165.816   12.770 -2.680641 10.00383 
1 1 1    6    2   38 f  164.228   4.1031  271.882   13.457 12.41733 8.206296 
1 1 1    6    2   39 o   71.863   9.1113   55.902   12.517 -26.69106 18.22263 
1 1 1    6    2   40 o   73.061   8.5843   56.369   12.186 10.06165 17.16869 
1 1 1    6    3    3 o  368.891   5.2809  1362.34   38.961      ?      ? 
1 1 1    6    3    4 o  414.887   4.1337  1723.68   34.299 -2.118805 8.267469 
1 1 1    6    3    5 o  474.365   4.0614  2256.46   36.412 2.170074 8.122825 
1 1 1    6    3    6 o  194.833   1.9880  379.678   7.7441 6.684708 3.975930 
1 1 1    6    3    7 o  158.757   2.1320  251.969   6.7668 6.117294 4.264072 
1 1 1    6    3    8 o  161.501   2.2132  260.877   7.1467 -1.641312 4.426372 
1 1 1    6    3    9 o   98.127   3.2627   96.383   6.3795 11.23134 6.525353 
1 1 1    6    3   10 o  170.613   2.3080  290.864   7.8704 5.800980 4.616045 
1 1 1    6    3   11 o  366.179   2.7407  1341.58   20.071 2.095825 5.481322 
1 1 1    6    3   12 o  524.076   3.6985  2748.77   38.764 3.888611 7.397033 
1 1 1    6    3   13 o  342.745   2.7054  1175.15   18.544 -2.268707 5.410855 
1 1 1    6    3   14 o  451.163   3.3006  2036.65   29.783 0.6317139E-01 6.601289 
1 1 1    6    3   15 o  461.838   3.3872  2134.00   31.285 -2.242035 6.774406 
1 1 1    6    3   16 o  121.287   4.3628  147.229   10.583 0.3262100 8.725632 
1 1 1    6    3   17 o  588.172   4.1840  3462.17   49.215 -3.794434 8.367967 
1 1 1    6    3   21 o  235.227   3.3517  553.556   15.758 -2.104172 6.703357 
1 1 1    6    3   22 o   44.413   11.137   14.215   13.533 17.75439 22.27365 
1 1 1    6    3   23 o  166.693   4.1227  278.353   13.740 2.806488 8.245418 
1 1 1    6    3   24 o   67.271   9.9131   47.434   12.914 -7.401367 19.82629 
1 1 1    6    3   25 o  280.870   3.1368  789.821   17.621 0.7775879E-01 6.273586 
1 1 1    6    3   26 o  190.315   5.3148  362.852   20.230      ?      ? 
1 1 1    6    3   27 o  212.312   3.3600  451.691   14.264 -6.292694 6.720070 
1 1 1    6    3   28 o   73.834   7.9918   55.324   11.775 5.414680 15.98370 
1 1 1    6    3   29 f   26.069   8.6123 -15.3797   11.235 -1.469841 17.22469 
1 1 1    6    3   30 o   50.541   10.354   26.753   11.159 8.560661 20.70803 
1 1 1    6    3   31 o  169.373   4.1380  287.617   14.012 -5.988647 8.276085 
1 1 1    6    3   32 o   23.880   8.1907 -27.6137   12.184 1.000618 16.38134 
1 1 1    6    3   33 o   97.007   5.8880   95.479   11.422 -1.907799 11.77597 
1 1 1    6    3   35 o   37.064   9.8853   7.3872   10.996 -16.66117 19.77064 
1 1 1    6    3   36 f   97.196   6.1473   95.936   11.942 4.257545 12.29463 
1 1 1    6    3   37 o   85.484   7.2645   74.895   12.393 5.673668 14.52907 
1 1 1    6    3   38 o   96.049   6.5823   94.969   12.602 -4.314034 13.16455 
1 1 1    6    3   39 o   51.535   10.948   28.625   12.433 11.89713 21.89660 
1 1 1    6    3   40 o  100.767   6.1160  103.533   12.320 -2.870369 12.23194 
1 1 1    6    4    2 f  470.086   6.5850  2213.77   61.910      ?      ? 
1 1 1    6    4    3 o  198.871   3.8277  395.741   15.224      ?      ? 
1 1 1    6    4    4 o  333.292   3.4366  1112.01   22.907 2.100922 6.873164 
1 1 1    6    4    5 o  216.121   2.4124  464.953   9.7167 -2.963043 4.824846 
1 1 1    6    4    6 o  338.179   3.0540  1150.09   19.543 5.137543 6.108084 
1 1 1    6    4    7 o  411.960   2.9395  1697.75   24.212 6.889801 5.878917 
1 1 1    6    4    8 o  424.595   3.0297  1804.28   25.727 1.758820 6.059367 
1 1 1    6    4    9 o  181.487   2.1956  329.428   7.9684 -2.920090 4.391242 
1 1 1    6    4   10 o  296.244   2.3926  877.071   14.167 8.951111 4.785249 
1 1 1    6    4   11 o  207.644   2.3101  431.235   9.5925 -3.788116 4.620163 
1 1 1    6    4   12 o  143.543   2.9218  206.044   8.3859 3.592529 5.843672 
1 1 1    6    4   13 o  650.843   4.5272  4239.80   58.920 7.315430 9.054413 
1 1 1    6    4   14 o  232.396   2.5945  540.044   12.056 3.944534 5.188905 
1 1 1    6    4   15 o  132.899   5.2499  176.733   13.954      ?      ? 
1 1 1    6    4   16 o  398.010   3.0921  1584.55   24.611 4.446838 6.184238 
1 1 1    6    4   17 o  329.551   2.8598  1086.44   18.848 3.270996 5.719571 
1 1 1    6    4   18 o  183.699   5.0763  337.664   18.650      ?      ? 
1 1 1    6    4   20 f  168.115   5.8286  282.884   19.598      ?      ? 
1 1 1    6    4   21 o  208.050   3.6125  433.213   15.029 -0.1625671 7.224927 
1 1 1    6    4   22 o  283.301   3.1696  803.035   17.957 -3.928284 6.339185 
1 1 1    6    4   23 o  185.234   3.7573  343.461   13.918 3.216736 7.514622 
1 1 1    6    4   24 o  172.380   3.9679  297.582   13.678 4.220535 7.935720 
1 1 1    6    4   25 o  207.262   3.4663  429.949   14.364 -6.280411 6.932560 
1 1 1    6    4   26 o  163.544   5.7650  268.064   18.857      ?      ? 
1 1 1    6    4   27 o  111.720   5.5120  125.530   12.313 -3.022766 11.02407 
1 1 1    6    4   28 o  292.063   2.9673  854.592   17.332 2.585358 5.934619 
1 1 1    6    4   29 o   37.543   10.222   8.5121   11.276 -9.823978 20.44442 
1 1 1    6    4   30 f   47.719   10.519   23.427   11.248 -7.306755 21.03777 
1 1 1    6    4   31 o  298.266   3.1284  883.069   18.580 -35.27106 6.256761 
1 1 1    6    4   32 o   33.649   9.8746  -0.6447   11.771 13.10019 19.74913 
1 1 1    6    4   33 o  108.544   5.5419  119.523   12.030 0.4345093 11.08371 
1 1 1    6    4   34 o  174.372   5.2110  304.837   18.173      ?      ? 
1 1 1    6    4   35 o   32.013   9.6160  -1.3463   11.349 -9.955093 19.23202 
1 1 1    6    4   36 o  119.419   5.1136  144.488   12.171 -10.37285 10.22715 
1 1 1    6    4   37 f   74.674   8.5627   58.320   12.280 20.44814 17.12548 
1 1 1    6    4   38 o   32.520   9.9199  -2.0762   12.270 -7.722630 19.83977 
1 1 1    6    4   39 o   59.759   10.379   39.281   12.377 10.83206 20.75798 
1 1 1    6    4   40 o   80.353   7.5248   66.500   12.093 0.4835739 15.04966 
1 1 1    6    5    2 o  328.071   4.8178  1077.39   31.612      ?      ? 
1 1 1    6    5    3 o  289.889   4.4356  841.080   25.717      ?      ? 
1 1 1    6    5    4 o  183.816   2.6579  335.738   9.6755 -8.696564 5.315898 
1 1 1    6    5    5 o  178.227   2.4204  320.679   7.9687 4.278305 4.840772 
1 1 1    6    5    6 o  134.654   2.8649  182.142   7.0250 1.283340 5.729777 
1 1 1    6    5    7 o  130.661   2.3720  170.885   6.1946 5.337288 4.743927 
1 1 1    6    5    8 o  186.900   2.1258  349.167   7.9412 -4.225586 4.251514 
1 1 1    6    5    9 o  112.882   2.9599  127.282   6.6760 -6.317902 5.919854 
1 1 1    6    5   10 o  253.506   2.2749  642.748   11.530 -2.312485 4.549825 
1 1 1    6    5   12 o  351.171   2.7077  1233.45   19.014 4.287537 5.415400 
1 1 1    6    5   13 o  427.481   3.1511  1828.08   26.939 -5.136902 6.302238 
1 1 1    6    5   14 o  460.420   3.3584  2119.45   30.908 9.951477 6.716729 
1 1 1    6    5   15 o  120.130   4.1418  144.429   9.9503 0.6254654 8.283553 
1 1 1    6    5   16 o  148.994   3.6344  222.135   10.828 -0.1879578 7.268860 
1 1 1    6    5   17 o  460.114   3.4356  2118.31   31.615 -2.065704 6.871191 
1 1 1    6    5   19 o  236.118   3.2718  557.902   15.431 -15.53421 6.543551 
1 1 1    6    5   20 o  401.497   3.2943  1612.99   26.451 -6.453491 6.588586 
1 1 1    6    5   21 o  308.702   4.3535  953.536   26.878      ?      ? 
1 1 1    6    5   22 o  222.270   3.3933  494.441   15.081 -7.104370 6.786609 
1 1 1    6    5   23 o  245.764   3.2134  604.656   15.792 -3.224640 6.426760 
1 1 1    6    5   24 o  161.304   4.1868  260.687   13.505 0.3014679 8.373652 
1 1 1    6    5   25 o  224.996   3.2986  506.703   14.840 -4.429886 6.597139 
1 1 1    6    5   26 o  251.854   4.5115  635.265   22.725      ?      ? 
1 1 1    6    5   27 o  304.352   2.9938  927.576   18.220 -6.565094 5.987610 
1 1 1    6    5   28 o   77.928   7.9189   62.751   11.825 19.14412 15.83770 
1 1 1    6    5   29 o   28.565   9.0787 -10.2697   11.274 8.670647 18.15730 
1 1 1    6    5   30 o   74.677   7.7547   57.045   11.574 3.634560 15.50947 
1 1 1    6    5   32 o  149.540   4.0516  224.978   12.103 0.6576996 8.103161 
1 1 1    6    5   33 o  116.356   5.1929  137.848   12.082 -2.561455 10.38588 
1 1 1    6    5   35 o   58.746   10.003   38.083   11.694 11.08409 20.00600 
1 1 1    6    5   36 o  127.897   4.9458  165.531   12.631 -7.787483 9.891630 
1 1 1    6    5   37 o   54.313   10.943   32.470   12.459 -1.986820 21.88609 
1 1 1    6    5   38 o   48.134   10.551   23.712   12.469 -22.07415 21.10124 
1 1 1    6    5   39 o   61.137   10.386   41.690   12.641 -11.93197 20.77141 
1 1 1    6    5   40 o   66.979   9.3889   48.610   12.123 3.279907 18.77776 
1 1 1    6    6    2 o  433.320   6.1077  1880.80   52.932      ?      ? 
1 1 1    6    6    3 o  172.564   3.9688  297.997   13.697      ?      ? 
1 1 1    6    6    4 o  172.846   2.6823  296.056   9.1565 -10.06757 5.364679 
1 1 1    6    6    5 o  231.918   2.4961  539.748   10.718 1.857010 4.992171 
1 1 1    6    6    6 o  194.639   2.5427  385.811   9.0796 8.949036 5.085404 
1 1 1    6    6    7 o   84.164   3.4398   70.957   5.7784 6.768448 6.879540 
1 1 1    6    6    8 o  426.883   3.0457  1823.11   25.997 6.658386 6.091358 
1 1 1    6    6    9 o  115.348   2.9258  133.139   6.7453 -0.1408386E-01 5.851652 
1 1 1    6    6   10 o   78.834   4.5202   62.282   7.0817 -11.65785 9.040443 
1 1 1    6    6   12 o  337.471   2.6643  1139.31   17.982 0.4014282 5.328647 
1 1 1    6    6   13 o  544.031   3.8474  2961.31   41.855 6.227600 7.694784 
1 1 1    6    6   14 o  226.366   2.5935  512.586   11.741 -0.4156342 5.187002 
1 1 1    6    6   15 o  266.431   2.6728  709.754   14.239 -8.078766 5.345659 
1 1 1    6    6   16 o  816.290   5.6505  6673.61   92.249 -1.915222 11.30105 
1 1 1    6    6   17 o  591.038   4.2044  3495.80   49.693 4.977173 8.408747 
1 1 1    6    6   20 o  209.851   4.9976  440.755   20.975      ?      ? 
1 1 1    6    6   21 o  222.395   4.8730  494.977   21.674      ?      ? 
1 1 1    6    6   22 o  307.934   3.0742  948.652   18.930 -7.510223 6.148476 
1 1 1    6    6   23 o  220.751   3.3991  487.842   15.004 0.2325592 6.798172 
1 1 1    6    6   24 o  130.439   5.0294  171.756   13.034 -12.75230 10.05890 
1 1 1    6    6   25 o  285.231   3.0710  814.377   17.513 1.696167 6.141965 
1 1 1    6    6   26 o   75.229   8.2421   57.244   12.399 0.3276443 16.48425 
1 1 1    6    6   27 f  214.395   3.2448  460.636   13.907 -8.011490 6.489640 
1 1 1    6    6   28 o  196.357   3.3631  386.691   13.202 -1.817917 6.726297 
1 1 1    6    6   29 o   92.232   6.2730   87.140   11.364 -19.72191 12.54609 
1 1 1    6    6   30 o   30.662   13.668  -5.7591   17.061      ?      ? 
1 1 1    6    6   32 o  116.161   4.9652  135.943   11.519 5.398346 9.930371 
1 1 1    6    6   33 o   26.426   8.7322 -16.3467   11.767 -7.293365 17.46439 
1 1 1    6    6   34 f   29.271   9.3858 -11.6182   12.237 -8.071932 18.77151 
1 1 1    6    6   35 o   23.701   8.1056 -30.5965   12.028 -8.114937 16.21119 
1 1 1    6    6   36 o   28.918   9.0520 -23.5173   12.247 20.34789 18.10404 
1 1 1    6    6   37 o   91.705   6.8898   86.259   12.608 4.957535 13.77960 
1 1 1    6    6   38 o   26.300   8.8110 -18.8127   12.411 -0.1974335 17.62196 
1 1 1    6    6   39 o   55.801   10.921   34.707   12.709 -7.901184 21.84262 
1 1 1    6    6   40 o   27.287   8.9239 -16.6700   11.938 -9.698654 17.84772 
1 1 1    6    7    3 f  224.994   4.0285  506.603   18.128      ?      ? 
1 1 1    6    7    4 o  181.666   2.7192  328.004   9.7302 -6.850296 5.438416 
1 1 1    6    7    5 f  160.843   2.6471  256.594   7.5188 -2.952866 5.294273 
1 1 1    6    7    6 o  154.943   2.8326  238.894   7.7537 -1.798996 5.665176 
1 1 1    6    7    7 o  148.685   3.1261  227.433   8.1645 8.932800 6.252285 
1 1 1    6    7    8 f  162.144   2.2629  263.092   7.3361 3.422974 4.525834 
1 1 1    6    7    9 o  271.402   2.2991  736.724   12.475 -1.928467 4.598252 
1 1 1    6    7   10 o  359.104   2.7132  1290.07   19.485 2.706329 5.426313 
1 1 1    6    7   11 o  264.349   2.3788  698.911   12.575 3.239624 4.757510 
1 1 1    6    7   12 o  443.297   3.2214  1966.12   28.560 -2.364502 6.442873 
1 1 1    6    7   13 o  413.758   3.0747  1712.08   25.436 6.082672 6.149451 
1 1 1    6    7   14 o  411.135   3.0991  1691.04   25.483 -0.3060303 6.198205 
1 1 1    6    7   15 o  457.427   3.3723  2093.18   30.849 -4.744263 6.744689 
1 1 1    6    7   16 o  324.314   2.8210  1051.61   18.290 -5.980927 5.641972 
1 1 1    6    7   17 o  264.719   4.1265  701.050   21.847      ?      ? 
1 1 1    6    7   18 o  147.859   4.2806  219.520   12.608 14.47684 8.561174 
1 1 1    6    7   20 o  290.280   3.0375  843.136   17.633 4.596252 6.074912 
1 1 1    6    7   21 o  129.057   5.1063  166.889   13.172 -5.695000 10.21258 
1 1 1    6    7   22 o  174.776   3.8930  305.868   13.608 -0.1568146 7.785903 
1 1 1    6    7   23 o  303.068   3.0604  919.498   18.547 -7.105988 6.120866 
1 1 1    6    7   24 o  364.372   3.1492  1329.43   22.947 -4.156036 6.298439 
1 1 1    6    7   25 o  100.577   6.4703  102.079   12.732 27.27592 12.94068 
1 1 1    6    7   26 o   94.768   6.4827   91.318   12.178 -11.47051 12.96542 
1 1 1    6    7   27 o  124.642   4.8106  156.134   11.975 -1.025566 9.621253 
1 1 1    6    7   28 o   55.107   10.257   32.407   11.463 -2.837357 20.51500 
1 1 1    6    7   29 o   94.522   5.9737   90.378   11.246 -1.248909 11.94733 
1 1 1    6    7   32 o   38.028   10.196   10.024   10.944 9.940521 20.39174 
1 1 1    6    7   33 o  133.965   4.5079  181.816   11.998 -15.76952 9.015718 
1 1 1    6    7   34 f   20.475   7.1881 -38.5347   11.340 -3.289108 14.37618 
1 1 1    6    7   35 o  123.572   4.8986  154.719   12.091 -1.815025 9.797142 
1 1 1    6    7   36 o   60.712   10.263   41.399   12.342 -8.713364 20.52666 
1 1 1    6    7   37 o   72.016   8.9407   55.699   12.457 -8.397514 17.88148 
1 1 1    6    7   38 o   59.254   10.264   39.775   12.186 -12.60083 20.52744 
1 1 1    6    7   39 o   63.984   9.8494   44.585   12.246 5.671822 19.69871 
1 1 1    6    7   40 o   77.919   11.040   68.666   16.461 -13.02315 22.08010 
1 1 1    6    8    1 o  388.197   5.5660  1509.13   43.214      ?      ? 
1 1 1    6    8    2 f  431.956   6.1189  1869.07   52.862      ?      ? 
1 1 1    6    8    3 o  507.687   7.0987  2583.37   72.078      ?      ? 
1 1 1    6    8    4 o  193.527   2.7607  375.664   10.568 3.203522 5.521362 
1 1 1    6    8    5 o  152.046   2.7901  229.134   7.5043 -3.035400 5.580190 
1 1 1    6    8    6 o  542.062   4.6418  2940.46   47.263 -1.320007 9.283684 
1 1 1    6    8    7 o  344.457   3.2124  1187.51   20.622 0.1489258 6.424802 
1 1 1    6    8    8 o   95.987   3.4019   92.411   6.5164 -5.554291 6.803774 
1 1 1    6    8    9 o  414.741   3.0029  1719.53   24.893 10.29791 6.005788 
1 1 1    6    8   10 f  357.481   2.7089  1278.41   19.367 2.177155 5.417756 
1 1 1    6    8   11 o  218.830   2.3725  478.882   10.382 3.247879 4.745026 
1 1 1    6    8   12 o  133.457   3.2049  178.162   8.5515 1.093216 6.409726 
1 1 1    6    8   13 f  287.667   2.5653  827.358   14.753 4.797363 5.130538 
1 1 1    6    8   14 o  369.426   2.9130  1364.85   21.519 5.565643 5.826088 
1 1 1    6    8   15 f   60.230   8.5632   37.543   9.9486 -5.208385 17.12636 
1 1 1    6    8   16 o   50.792   13.946   26.733   14.593      ?      ? 
1 1 1    6    8   19 o  152.348   4.1611  232.447   12.671 1.589584 8.322155 
1 1 1    6    8   21 o  173.378   3.8626  300.944   13.393 2.965286 7.725295 
1 1 1    6    8   22 o  324.267   3.0657  1052.39   19.882 0.8286133 6.131473 
1 1 1    6    8   23 o  248.813   3.1604  618.958   15.715 8.382690 6.320776 
1 1 1    6    8   24 o   85.941   7.3316   74.386   12.593 -1.556030 14.66317 
1 1 1    6    8   25 o  272.312   3.0770  742.613   16.756 -2.826080 6.154037 
1 1 1    6    8   26 o  117.390   5.1511  138.630   12.077 -1.679588 10.30223 
1 1 1    6    8   27 o  234.257   3.0559  550.013   14.310 -1.837708 6.111830 
1 1 1    6    8   28 o   95.359   6.0244   91.760   11.477 2.336067 12.04889 
1 1 1    6    8   29 o   42.704   10.214   16.519   11.233 -15.30068 20.42880 
1 1 1    6    8   30 o  179.044   5.4728  321.178   19.598      ?      ? 
1 1 1    6    8   31 o  103.189   5.6043  108.071   11.486 -0.3864288E-01 11.20862 
1 1 1    6    8   32 o  185.828   3.3977  347.036   12.554 -0.2778931 6.795346 
1 1 1    6    8   33 o  163.882   3.7809  269.594   12.360 -2.865265 7.561768 
1 1 1    6    8   34 o   65.844   8.9299   48.553   11.229 -25.20163 17.85988 
1 1 1    6    8   35 o  120.454   6.7505  146.479   16.263      ?      ? 
1 1 1    6    8   36 o   30.783   9.7318  -5.4942   12.252 0.2570686 19.46356 
1 1 1    6    8   37 o   63.459   9.8272   43.505   12.121 11.64367 19.65436 
1 1 1    6    8   38 o   58.683   10.447   37.966   12.228 4.562572 20.89348 
1 1 1    6    8   39 o  112.620   5.5495  128.687   12.450 13.70395 11.09892 
1 1 1    6    9    1 o  369.621   5.3523  1367.90   39.566      ?      ? 
1 1 1    6    9    2 o  310.923   4.7139  967.660   29.313      ?      ? 
1 1 1    6    9    3 o  142.863   4.5692  204.279   13.056      ?      ? 
1 1 1    6    9    4 o  367.767   3.7557  1354.22   27.622 4.466614 7.511373 
1 1 1    6    9    5 o  208.563   2.5825  440.392   9.8360 6.216568 5.165081 
1 1 1    6    9    6 o   89.289   5.7012  103.035   7.3182 41.91425 11.40232 
1 1 1    6    9    7 o  259.493   4.8146  673.900   24.987      ?      ? 
1 1 1    6    9    8 o  392.972   5.8743  1545.94   46.169      ?      ? 
1 1 1    6    9    9 f  280.788   2.3598  787.770   13.243 8.667969 4.719508 
1 1 1    6    9   10 o  317.359   2.5254  1007.43   16.029 2.814117 5.050817 
1 1 1    6    9   11 o  297.190   2.4887  883.498   14.792 -1.599060 4.977338 
1 1 1    6    9   12 o  530.055   3.7551  2811.39   39.808 -1.276978 7.510252 
1 1 1    6    9   13 o  214.344   2.6178  459.468   11.217 1.567459 5.235645 
1 1 1    6    9   14 f  510.321   3.6719  2605.86   37.476 -2.299622 7.343766 
1 1 1    6    9   15 o  360.695   2.9211  1300.02   21.046 -8.018616 5.842221 
1 1 1    6    9   17 o  126.894   6.5045  161.191   16.508      ?      ? 
1 1 1    6    9   18 o  172.905   3.7687  301.189   12.810 39.96202 7.537460 
1 1 1    6    9   19 f  104.348   5.8458  109.584   12.149 8.259399 11.69165 
1 1 1    6    9   20 o  409.559   3.2843  1677.77   26.893 -8.247925 6.568583 
1 1 1    6    9   21 o  125.431   5.0018  157.710   12.541 -1.195595 10.00367 
1 1 1    6    9   22 o  246.997   3.1328  610.729   15.473 -1.218414 6.265550 
1 1 1    6    9   23 o  123.063   7.4191  151.939   18.260      ?      ? 
1 1 1    6    9   25 o   72.039   8.4336   52.520   12.148 1.357071 16.86723 
1 1 1    6    9   26 o   27.799   9.0116 -12.7544   11.494 5.872753 18.02322 
1 1 1    6    9   27 o   49.347   10.407   25.185   11.309 -10.97425 20.81320 
1 1 1    6    9   28 o  105.144   5.4061  111.523   11.300 15.28217 10.81220 
1 1 1    6    9   29 o  120.263   7.1556  146.191   17.211      ?      ? 
1 1 1    6    9   30 f   81.050   11.351   66.299   18.401      ?      ? 
1 1 1    6    9   31 o   33.371   9.8105   2.7684   11.012 -4.989086 19.62103 
1 1 1    6    9   32 o   22.109   7.6732 -31.1574   11.504 3.816227 15.34650 
1 1 1    6    9   33 o  144.580   6.1592  210.016   17.810      ?      ? 
1 1 1    6    9   34 o   24.720   8.2692 -19.3188   11.213 -4.982763 16.53846 
1 1 1    6    9   35 o   75.730   7.8583   58.290   11.848 7.619034 15.71662 
1 1 1    6    9   36 o   31.486   9.6209  -6.0320   12.302 -11.59447 19.24190 
1 1 1    6    9   37 o   48.535   10.961   25.555   12.207 -7.782257 21.92277 
1 1 1    6    9   38 o  137.421   4.7462  191.584   12.800 -0.6559143 9.492301 
1 1 1    6    9   39 o  108.548   5.8517  121.530   12.465 -9.363800 11.70347 
1 1 1    6   10    0 o  485.714   6.7653  2363.46   65.720      ?      ? 
1 1 1    6   10    1 o  290.173   4.5482  842.690   26.396      ?      ? 
1 1 1    6   10    2 o  456.036   6.4354  2083.03   58.695      ?      ? 
1 1 1    6   10    3 o  210.257   4.1686  442.370   17.529      ?      ? 
1 1 1    6   10    4 o  245.095   2.9486  602.190   14.419 7.838074 5.897160 
1 1 1    6   10    5 o  431.323   4.3399  1842.97   37.102 -32.53192 8.679780 
1 1 1    6   10    6 o  249.155   4.6493  621.216   23.168      ?      ? 
1 1 1    6   10    7 f  233.674   2.8750  549.641   12.213 3.493286 5.750085 
1 1 1    6   10    8 o  207.466   3.0260  439.133   11.321 9.701950 6.051932 
1 1 1    6   10    9 o  620.446   4.3158  3852.95   53.550 -4.717224 8.631561 
1 1 1    6   10   10 o  240.247   2.3259  577.265   11.175 3.732529 4.651885 
1 1 1    6   10   11 o  356.765   2.7514  1272.76   19.628 6.365479 5.502844 
1 1 1    6   10   12 o  389.785   2.9443  1519.77   22.951 -2.407776 5.888680 
1 1 1    6   10   13 f  234.561   2.5810  550.198   12.105 7.275848 5.162039 
1 1 1    6   10   14 o  606.816   4.2724  3685.49   51.850 -2.031921 8.544770 
1 1 1    6   10   15 o  117.474   4.6704  140.796   10.761 21.02847 9.340750 
1 1 1    6   10   16 o  220.786   4.2615  487.689   18.817      ?      ? 
1 1 1    6   10   18 f  280.617   2.9325  787.927   16.458 0.3323059 5.865037 
1 1 1    6   10   19 o  255.670   4.3299  654.065   22.141      ?      ? 
1 1 1    6   10   20 o   90.025   6.8275   81.361   12.288 3.227310 13.65508 
1 1 1    6   10   21 o  169.902   3.7905  289.124   12.877 -4.332870 7.581055 
1 1 1    6   10   22 f   58.261   10.379   35.677   12.137 7.461941 20.75753 
1 1 1    6   10   23 o  113.838   5.3797  130.029   12.231 8.216637 10.75938 
1 1 1    6   10   24 o   64.160   9.6790   43.151   12.065 9.506958 19.35806 
1 1 1    6   10   25 o   64.444   9.5153   44.016   11.865 -6.883156 19.03057 
1 1 1    6   10   26 o  173.144   3.5860  300.555   12.416 1.141617 7.172091 
1 1 1    6   10   27 o   75.066   7.8547   58.603   11.232 20.81287 15.70939 
1 1 1    6   10   28 o   26.702   8.6544 -14.4946   10.915 9.292866 17.30873 
1 1 1    6   10   29 o   32.740   14.267  -2.7332   17.529      ?      ? 
1 1 1    6   10   30 o  120.448   5.0592  147.473   12.130 -10.95920 10.11834 
1 1 1    6   10   31 o  128.053   4.5217  164.585   11.542 7.411079 9.043334 
1 1 1    6   10   32 f   85.157   6.9365   73.896   11.785 8.321053 13.87294 
1 1 1    6   10   33 o   19.244   9.6829 -48.0206   16.508      ?      ? 
1 1 1    6   10   34 o   88.255   6.6739   79.598   11.562 22.99252 13.34772 
1 1 1    6   10   35 o  125.434   4.9227  161.037   12.256 -12.28393 9.845331 
1 1 1    6   10   36 o   40.715   10.854   14.184   12.061 -1.696117 21.70825 
1 1 1    6   10   37 o   42.413   10.592   14.400   11.923 18.85494 21.18403 
1 1 1    6   10   38 o   44.575   10.886   19.972   12.199 -9.496529 21.77222 
1 1 1    6   10   39 o   32.702   9.8973  -0.7887   12.005 -7.269644 19.79466 
1 1 1    6   11    0 o  524.981   5.1718  2756.19   54.221 -16.14539 10.34358 
1 1 1    6   11    1 o  535.957   5.2800  2865.73   56.402 -25.92096 10.56003 
1 1 1    6   11    2 o  659.071   9.1208  4355.83  120.225      ?      ? 
1 1 1    6   11    3 o  398.430   5.7686  1589.18   45.968      ?      ? 
1 1 1    6   11    4 o  342.310   3.6025  1172.12   24.627 -3.062286 7.204929 
1 1 1    6   11    5 o  351.380   3.6954  1236.11   25.952 3.721558 7.390790 
1 1 1    6   11    6 o  499.451   4.3388  2488.46   40.484 -4.666718 8.677513 
1 1 1    6   11    7 o  719.971   6.1182  5173.18   82.492 -7.698181 12.23643 
1 1 1    6   11    8 o  246.615   2.9751  605.603   13.207 -2.607300 5.950191 
1 1 1    6   11    9 o  392.818   2.8941  1543.48   22.733 -2.770325 5.788109 
1 1 1    6   11   10 o  114.836   3.3418  131.982   7.6724 -3.180573 6.683634 
1 1 1    6   11   11 f  230.838   2.4338  533.022   11.235 3.709305 4.867517 
1 1 1    6   11   12 o  349.252   2.7477  1219.56   19.187 8.129303 5.495371 
1 1 1    6   11   13 o   85.245   5.2944   73.000   8.9492 -13.99378 10.58879 
1 1 1    6   11   14 o  460.070   3.3906  2117.66   31.196 -2.778625 6.781185 
1 1 1    6   11   15 o  164.319   4.9631  270.177   16.311      ?      ? 
1 1 1    6   11   17 o  182.724   3.4578  334.148   12.636 -0.3924713 6.915658 
1 1 1    6   11   18 o  351.126   3.0369  1233.58   21.325 0.7994385 6.073742 
1 1 1    6   11   19 o  357.820   3.0877  1281.27   22.097 -0.7761536 6.175385 
1 1 1    6   11   20 o   84.997   7.2664   73.948   11.978 -24.63910 14.53274 
1 1 1    6   11   21 f  286.192   2.9681  819.805   16.989 0.2119141 5.936144 
1 1 1    6   11   22 o  268.656   3.0199  722.552   16.226 0.4191284 6.039898 
1 1 1    6   11   23 o  170.537   3.8495  292.219   13.068 -19.32193 7.699078 
1 1 1    6   11   24 o   39.157   10.367   9.2470   11.824 -14.10059 20.73438 
1 1 1    6   11   25 o  194.790   3.3015  379.587   12.850 11.02800 6.602952 
1 1 1    6   11   26 o   33.011   9.6528  -0.6218   11.123 12.54965 19.30552 
1 1 1    6   11   27 o  282.180   2.8787  798.187   16.245 0.1865234 5.757490 
1 1 1    6   11   28 o   93.951   6.1153   89.550   11.439 11.58256 12.23064 
1 1 1    6   11   30 o  107.275   5.2702  116.512   11.283 8.580887 10.54049 
1 1 1    6   11   31 o  117.655   4.8739  139.479   11.425 3.835335 9.747845 
1 1 1    6   11   33 o   55.652   9.8689   34.333   11.020 -8.743313 19.73785 
1 1 1    6   11   34 o  156.319   3.8979  246.256   12.132 -2.472733 7.795881 
1 1 1    6   11   35 o   21.460   7.5069 -36.4588   11.851 1.032852 15.01378 
1 1 1    6   11   36 o  112.653   5.4534  127.829   12.195 9.312218 10.90674 
1 1 1    6   11   37 o  113.924   5.4457  131.529   12.343 6.371155 10.89133 
1 1 1    6   11   38 f   67.882   9.2750   50.790   12.129 -24.31112 18.55007 
1 1 1    6   11   39 o   64.013   9.5670   43.598   15.297 -62.52442 19.13392 
1 1 1    6   12    0 o  385.980   3.9278  1477.77   30.095 -26.91074 7.855615 
1 1 1    6   12    1 o  281.821   3.1481  793.738   17.702 -4.684418 6.296112 
1 1 1    6   12    2 o  305.968   4.7955  936.781   29.345      ?      ? 
1 1 1    6   12    3 o  242.590   2.9689  590.121   14.366 18.64034 5.937808 
1 1 1    6   12    4 o  425.490   4.2873  1811.80   36.464 -2.947845 8.574655 
1 1 1    6   12    5 o  281.581   3.2845  795.308   18.437 10.48126 6.568984 
1 1 1    6   12    6 o  571.512   4.9161  3254.67   52.444 -7.355347 9.832127 
1 1 1    6   12    7 o  317.556   3.1614  1014.12   18.526 4.326294 6.322868 
1 1 1    6   12    8 o  107.395   4.9023  116.332   8.7133 1.506500 9.804622 
1 1 1    6   12    9 o  335.738   3.3223  1119.23   20.364 -6.104523 6.644671 
1 1 1    6   12   10 o  320.783   2.5778  1029.34   16.537 0.4907227 5.155512 
1 1 1    6   12   11 f  119.287   3.4805  142.291   8.2990 2.046341 6.960935 
1 1 1    6   12   12 o  303.054   2.6021  918.483   15.769 5.156097 5.204149 
1 1 1    6   12   13 o  338.082   2.7770  1142.40   18.766 -8.215118 5.554093 
1 1 1    6   12   14 o  503.367   3.6570  2535.44   36.816 2.525665 7.314067 
1 1 1    6   12   16 o  269.989   2.8952  729.297   15.633 2.714996 5.790435 
1 1 1    6   12   17 o  204.475   3.2206  418.420   13.169 -2.148407 6.441250 
1 1 1    6   12   18 o  104.465   5.9445  111.060   12.136 -25.89790 11.88907 
1 1 1    6   12   19 o  201.981   3.2928  408.334   13.301 -3.420853 6.585567 
1 1 1    6   12   20 o  341.693   3.0038  1168.58   20.527 1.431030 6.007510 
1 1 1    6   12   21 o  313.402   2.9563  983.197   18.530 2.418182 5.912594 
1 1 1    6   12   22 o  360.745   3.0749  1302.76   22.184 -3.415070 6.149876 
1 1 1    6   12   23 o  145.484   6.1677  212.231   17.946      ?      ? 
1 1 1    6   12   24 o  108.312   5.3637  117.869   11.609 2.625633 10.72733 
1 1 1    6   12   25 o  235.901   2.9497  557.340   13.910 2.151459 5.899409 
1 1 1    6   12   26 o  133.503   4.2538  178.682   11.344 6.115173 8.507634 
1 1 1    6   12   27 o  143.690   4.0272  207.160   11.559 3.895386 8.054461 
1 1 1    6   12   29 o  140.233   6.2596  197.935   17.556      ?      ? 
1 1 1    6   12   30 o   24.391   8.1887 -18.2350   10.833 1.130737 16.37744 
1 1 1    6   12   31 o   69.187   13.046   52.825   17.392      ?      ? 
1 1 1    6   12   33 o   89.195   6.3125   81.441   11.195 0.5714340 12.62494 
1 1 1    6   12   34 o   25.267   11.873 -15.8081   15.492      ?      ? 
1 1 1    6   12   35 o   87.580   7.0190   78.213   12.187 4.920692 14.03801 
1 1 1    6   12   36 o   61.342   10.093   41.799   12.064 -3.839382 20.18656 
1 1 1    6   12   37 o   33.154   10.033   0.7983   11.981 -3.085672 20.06547 
1 1 1    6   12   38 f  128.252   4.8302  166.454   12.379 0.6056747 9.660363 
1 1 1    6   13    0 o  721.583   7.0427  5215.52  101.562 -16.79865 14.08532 
1 1 1    6   13    1 o  322.774   3.4261  1038.45   22.023 -12.76678 6.852219 
1 1 1    6   13    2 o  228.015   2.9246  512.398   13.105 -17.33336 5.849219 
1 1 1    6   13    3 o  436.788   4.3914  1907.24   38.335 15.94714 8.782739 
1 1 1    6   13    4 o  321.179   3.4772  1032.69   22.287 2.415497 6.954337 
1 1 1    6   13    5 f  241.136   3.1945  578.820   15.093 -5.904922 6.389018 
1 1 1    6   13    6 o  478.605   4.2042  2287.52   37.562 -2.763885 8.408492 
1 1 1    6   13    7 o  608.235   5.2225  3691.32   59.427 -5.600708 10.44499 
1 1 1    6   13    8 o  562.738   4.8701  3158.24   51.194 -5.649414 9.740291 
1 1 1    6   13    9 o  335.082   3.3509  1114.82   20.522 -6.180969 6.701791 
1 1 1    6   13   10 o  118.818   3.4424  141.240   8.1781 0.6689835 6.884764 
1 1 1    6   13   11 o  566.055   3.9846  3206.59   45.108 -2.173096 7.969105 
1 1 1    6   13   12 o  477.333   3.4567  2279.80   33.000 -0.4882813E-02 6.913439 
1 1 1    6   13   13 o  315.770   3.8472  997.485   24.297      ?      ? 
1 1 1    6   13   15 o  218.080   2.9788  475.840   12.992 1.510193 5.957679 
1 1 1    6   13   16 o  214.369   3.0877  459.643   13.235 -6.124863 6.175312 
1 1 1    6   13   17 o  225.156   3.1011  506.463   13.950 -14.05115 6.202184 
1 1 1    6   13   18 o  233.305   3.0360  544.366   14.162 -6.343307 6.072081 
1 1 1    6   13   19 o  109.051   5.3697  119.771   11.547 -23.21046 10.73938 
1 1 1    6   13   20 o  260.806   2.9446  680.772   15.358 -1.687256 5.889210 
1 1 1    6   13   21 o  244.413   2.9967  598.009   14.648 1.919174 5.993304 
1 1 1    6   13   22 f  212.900   3.1961  453.719   13.592 -14.29233 6.392129 
1 1 1    6   13   23 o  213.549   3.1348  456.508   13.382 5.364594 6.269614 
1 1 1    6   13   24 o  265.048   2.8599  703.762   15.156 -3.544128 5.719794 
1 1 1    6   13   25 o   40.750   10.220   13.427   10.781 12.56676 20.43931 
1 1 1    6   13   26 f  143.026   3.9421  205.527   11.262 -0.4147797 7.884201 
1 1 1    6   13   27 o   77.763   7.3029   61.496   11.335 6.645119 14.60571 
1 1 1    6   13   28 o  232.063   4.5669  539.191   21.196      ?      ? 
1 1 1    6   13   29 f   62.064   9.1284   40.619   11.176 15.04516 18.25679 
1 1 1    6   13   30 o   74.990   7.3080   57.699   10.913 -3.238861 14.61600 
1 1 1    6   13   32 o  141.210   4.1462  199.892   11.641 8.791580 8.292484 
1 1 1    6   13   33 o   51.754   10.596   28.754   11.521 2.287441 21.19265 
1 1 1    6   13   34 o   33.411   9.8315  -1.0710   12.179 -13.70808 19.66302 
1 1 1    6   13   35 o  135.597   4.7586  185.086   12.826 8.421631 9.517279 
1 1 1    6   13   36 o   42.021   10.763   16.294   12.180 -10.13450 21.52578 
1 1 1    6   13   37 o   55.173   10.505   33.719   11.850 -2.669041 21.01073 
1 1 1    6   13   38 o   24.546   8.3043 -20.4263   11.510 -0.8548813 16.60862 
1 1 1    6   14    0 o  141.290   3.2625  198.485   9.0565 -4.550705 6.524971 
1 1 1    6   14    1 f  196.697   2.8880  377.893   11.097 -20.62614 5.775903 
1 1 1    6   14    2 o  254.512   3.0476  640.290   15.282 -16.78416 6.095186 
1 1 1    6   14    3 o  294.691   3.3099  869.668   19.418 2.961456 6.619794 
1 1 1    6   14    4 o  520.987   5.1765  2715.75   53.897 -8.142700 10.35294 
1 1 1    6   14    5 f  276.204   3.3819  766.330   18.514 8.952423 6.763799 
1 1 1    6   14    6 o  389.812   3.6082  1529.77   26.296 6.897736 7.216343 
1 1 1    6   14    7 o  628.582   5.3883  3936.33   63.281 -8.640747 10.77662 
1 1 1    6   14    8 o  743.601   6.3317  5495.75   87.704 -15.74658 12.66332 
1 1 1    6   14    9 o  159.545   6.3917  254.804   20.395      ?      ? 
1 1 1    6   14   10 o  190.090   3.6106  379.759   12.062 21.02463 7.221107 
1 1 1    6   14   11 o  600.378   5.9643  3607.72   71.616      ?      ? 
1 1 1    6   14   12 o  394.684   3.0322  1557.76   23.928 7.043182 6.064497 
1 1 1    6   14   13 o  328.051   2.7594  1075.87   18.098 7.597870 5.518886 
1 1 1    6   14   14 o   70.646   7.8107   55.839   9.8144 -40.28893 15.62140 
1 1 1    6   14   15 o  200.723   2.9752  403.285   11.939 -5.318192 5.950429 
1 1 1    6   14   16 f  372.431   3.0299  1387.73   22.567 -4.358917 6.059777 
1 1 1    6   14   17 o  145.373   3.9733  211.419   11.536 -10.79306 7.946592 
1 1 1    6   14   18 o   52.254   10.131   28.277   11.178 13.68809 20.26202 
1 1 1    6   14   19 o  134.771   4.3065  182.060   11.600 5.909164 8.613013 
1 1 1    6   14   20 o  257.684   2.9188  664.412   15.039 5.855972 5.837517 
1 1 1    6   14   21 o  275.719   2.9369  761.037   16.194 -0.6490479 5.873890 
1 1 1    6   14   22 o  151.151   3.9380  228.766   11.895 8.104004 7.875939 
1 1 1    6   14   23 o  120.429   4.5820  145.514   11.030 2.588875 9.164063 
1 1 1    6   14   24 o   32.856   9.6528   2.7456   10.508 -1.994360 19.30565 
1 1 1    6   14   25 o  142.299   3.8889  203.618   11.041 -2.958740 7.777844 
1 1 1    6   14   26 o   56.460   9.2099   34.333   10.604 -20.10685 18.41978 
1 1 1    6   14   27 o   19.751   9.9292 -50.7022   17.221      ?      ? 
1 1 1    6   14   29 o  125.998   4.5532  158.096   11.394 19.57752 9.106463 
1 1 1    6   14   32 o   55.974   9.8984   34.917   11.053 -6.876392 19.79673 
1 1 1    6   14   34 o   79.646   7.7906   65.303   12.357 2.944099 15.58127 
1 1 1    6   14   35 o   44.071   10.762   19.112   12.125 -11.58136 21.52464 
1 1 1    6   14   36 o  117.540   5.3296  140.100   12.422 2.761230 10.65926 
1 1 1    6   14   37 o   78.262   7.6974   63.154   12.020 -1.382462 15.39481 
1 1 1    6   15    0 o  416.691   4.2068  1729.92   34.956 23.58643 8.413507 
1 1 1    6   15    1 o  314.458   3.3832  989.632   21.268 3.523224 6.766334 
1 1 1    6   15    2 o  351.793   3.6693  1238.50   25.813 6.173096 7.338560 
1 1 1    6   15    3 o  545.099   7.6376  2975.33   83.265      ?      ? 
1 1 1    6   15    4 o  204.064   3.2003  425.790   12.777 33.36673 6.400644 
1 1 1    6   15    5 o  535.694   5.3368  2873.38   57.167 -2.273621 10.67362 
1 1 1    6   15    6 o  798.586   6.7903  6335.12  100.959 -18.59930 13.58068 
1 1 1    6   15    7 o  478.484   4.2272  2278.58   37.604 -7.112457 8.454447 
1 1 1    6   15    8 o  431.992   6.4543  1868.07   55.764      ?      ? 
1 1 1    6   15    9 o  458.672   4.1987  1978.22   33.596 -55.50500 8.397396 
1 1 1    6   15   10 o  382.113   6.0930  1461.49   46.564      ?      ? 
1 1 1    6   15   11 o  320.974   5.8178  1031.09   37.348      ?      ? 
1 1 1    6   15   12 o  320.872   3.8514  1029.98   24.716      ?      ? 
1 1 1    6   15   13 o  238.309   2.6443  567.486   12.595 8.728470 5.288532 
1 1 1    6   15   14 o  450.487   4.7340  2030.83   42.652      ?      ? 
1 1 1    6   15   15 o   19.483   6.8358 -35.0817   10.161 1.912901 13.67170 
1 1 1    6   15   16 o  269.847   2.7484  728.578   14.832 -2.830688 5.496724 
1 1 1    6   15   17 o  411.864   3.1779  1697.54   26.174 -5.433289 6.355888 
1 1 1    6   15   18 o  267.557   2.8023  716.458   14.995 1.149872 5.604599 
1 1 1    6   15   19 f  268.352   2.8725  720.765   15.416 -4.126953 5.744982 
1 1 1    6   15   20 o   45.688   10.147   19.229   11.150 19.07696 20.29430 
1 1 1    6   15   21 o  196.624   4.5098  387.223   17.735      ?      ? 
1 1 1    6   15   22 o  191.025   3.2064  365.085   12.234 5.492722 6.412872 
1 1 1    6   15   23 o  140.228   3.9460  197.535   11.038 -2.727097 7.891942 
1 1 1    6   15   24 o  123.601   4.3327  153.117   10.678 3.930305 8.665326 
1 1 1    6   15   25 o   70.601   7.7224   52.221   10.452 -10.27483 15.44476 
1 1 1    6   15   26 o   84.643   6.5780   72.204   11.017 17.49379 13.15600 
1 1 1    6   15   27 o  160.435   5.4904  257.979   17.617      ?      ? 
1 1 1    6   15   28 o   90.955   5.9599   83.517   10.787 3.421074 11.91973 
1 1 1    6   15   29 o   48.497   14.134   25.267   14.544      ?      ? 
1 1 1    6   15   31 o   53.120   9.0210   30.905   11.076 -34.66264 18.04196 
1 1 1    6   15   32 o  130.716   6.0768  172.324   15.887      ?      ? 
1 1 1    6   15   33 o   23.633   8.0981 -25.6189   11.805 1.219032 16.19612 
1 1 1    6   15   34 o   83.283   7.1838   71.478   11.883 0.8380127 14.36768 
1 1 1    6   15   35 o   68.689   9.1792   50.882   12.068 5.321609 18.35830 
1 1 1    6   15   36 o   22.564   7.8243 -31.4343   11.914 1.446043 15.64864 
1 1 1    6   15   37 f   60.999   10.901   42.343   13.149 -8.593830 21.80191 
1 1 1    6   16    0 o  167.609   3.1376  281.717   10.476 4.933624 6.275176 
1 1 1    6   16    1 o  230.327   2.9964  532.128   13.760 19.29016 5.992839 
1 1 1    6   16    2 o  530.797   5.2613  2817.27   55.787 -14.62543 10.52269 
1 1 1    6   16    3 o  330.013   3.0750  1112.84   19.284 24.09805 6.149952 
1 1 1    6   16    4 o  389.425   3.5260  1517.94   25.513 0.4288940 7.052046 
1 1 1    6   16    5 o  274.300   3.3467  756.185   18.255 13.96390 6.693464 
1 1 1    6   16    6 o  263.388   3.0256  696.690   14.333 2.360626 6.051203 
1 1 1    6   16    7 o  364.383   5.7470  1328.84   41.882      ?      ? 
1 1 1    6   16    8 o   62.201   15.786   40.449   19.679      ?      ? 
1 1 1    6   16    9 o  316.388   3.3620  998.740   19.349 -2.072723 6.723938 
1 1 1    6   16   10 o  463.637   6.8829  2152.06   63.823      ?      ? 
1 1 1    6   16   11 o  239.802   5.8229  575.643   27.927      ?      ? 
1 1 1    6   16   12 o  508.238   3.6501  2585.36   37.102 2.197845 7.300220 
1 1 1    6   16   13 o  426.073   3.1973  1816.56   27.245 0.1375732 6.394574 
1 1 1    6   16   14 o  353.082   2.8755  1246.44   20.294 -7.971100 5.750937 
1 1 1    6   16   15 o  214.878   2.7841  462.039   11.964 2.267761 5.568115 
1 1 1    6   16   16 f  151.502   3.4545  229.798   10.466 -3.340515 6.909065 
1 1 1    6   16   17 o  139.602   3.8018  195.191   10.615 -0.3710632 7.603518 
1 1 1    6   16   18 o  276.367   2.7795  764.534   15.362 -1.307648 5.559010 
1 1 1    6   16   19 o  113.956   4.7875  130.130   10.906 4.870377 9.575056 
1 1 1    6   16   20 o  156.210   5.0656  244.486   15.826      ?      ? 
1 1 1    6   16   21 o  188.570   3.1712  356.223   11.958 2.325562 6.342472 
1 1 1    6   16   22 o  145.010   3.7720  210.726   10.932 2.764740 7.543903 
1 1 1    6   16   23 o  118.122   4.5031  140.653   10.579 -3.919258 9.006186 
1 1 1    6   16   24 o   97.848   5.4383   98.195   10.451 -12.30000 10.87663 
1 1 1    6   16   25 o   89.869   5.9632   81.861   10.669 0.1306534 11.92640 
1 1 1    6   16   26 o  154.806   3.7771  241.724   11.606 -11.95428 7.554164 
1 1 1    6   16   27 o  145.067   3.8322  211.033   11.093 10.37930 7.664460 
1 1 1    6   16   28 o  131.422   4.1787  173.263   10.939 5.489227 8.357432 
1 1 1    6   16   30 o   31.645   9.6773  -3.3855   11.387 10.61771 19.35466 
1 1 1    6   16   31 o  124.459   4.7313  155.673   11.643 6.504570 9.462670 
1 1 1    6   16   32 o  104.361   5.7234  108.815   11.833 12.21300 11.44687 
1 1 1    6   16   33 o   66.833   9.0104   47.631   11.525 4.431786 18.02081 
1 1 1    6   16   34 o   66.332   9.0882   47.134   11.521 4.720112 18.17631 
1 1 1    6   16   35 o   70.781   8.5310   52.244   11.708 14.88361 17.06205 
1 1 1    6   16   36 o  132.139   4.6191  176.375   12.182 1.338150 9.238295 
1 1 1    6   17    0 o  571.098   5.6485  3265.79   64.506 7.349243 11.29708 
1 1 1    6   17    1 o  465.186   4.6826  2162.88   43.523 16.16397 9.365266 
1 1 1    6   17    2 o  357.049   3.7805  1252.47   26.564 -34.65390 7.560975 
1 1 1    6   17    3 o  291.082   3.1643  847.500   18.421      ?      ? 
1 1 1    6   17    4 o  430.684   6.3618  1856.79   54.798      ?      ? 
1 1 1    6   17    5 o  204.096   3.1799  442.547   10.858 23.84866 6.359760 
1 1 1    6   17    6 o  305.131   3.6227  935.596   21.997 16.21991 7.245471 
1 1 1    6   17    7 f  262.588   3.1492  632.752   13.980 -40.03362 6.298465 
1 1 1    6   17    8 o  394.814   3.6908  1568.32   27.299 6.284607 7.381601 
1 1 1    6   17    9 o  408.390   3.8003  1670.95   28.925 1.254028 7.600538 
1 1 1    6   17   10 o  302.957   3.3299  934.770   18.632 14.42377 6.659767 
1 1 1    6   17   11 o  173.774   3.8335  273.557   11.417 -31.41562 7.666912 
1 1 1    6   17   12 o  486.784   4.3937  2379.39   40.101 4.193359 8.787472 
1 1 1    6   17   13 o  558.106   3.9705  3117.74   44.310 7.929688 7.940992 
1 1 1    6   17   14 o  371.563   2.9198  1380.76   21.689 -7.909973 5.839526 
1 1 1    6   17   15 o  258.080   2.6426  666.393   13.638 2.504242 5.285228 
1 1 1    6   17   16 o  162.688   3.2196  264.842   10.473 3.292343 6.439145 
1 1 1    6   17   17 o  134.329   5.5446  180.778   14.896      ?      ? 
1 1 1    6   17   18 o  345.695   2.9086  1195.81   20.106 -8.643585 5.817199 
1 1 1    6   17   19 o  332.440   2.8707  1106.15   19.081 4.828339 5.741363 
1 1 1    6   17   20 o  113.022   4.5883  128.246   10.359 -7.576103 9.176504 
1 1 1    6   17   21 f   58.405   8.6692   35.782   10.005 -17.85224 17.33844 
1 1 1    6   17   22 o  130.941   3.9113  172.148   10.237 -1.651459 7.822524 
1 1 1    6   17   23 o  166.419   3.3335  277.675   11.067 1.486450 6.666931 
1 1 1    6   17   24 o   96.692   5.3835   94.293   10.363 1.130264 10.76696 
1 1 1    6   17   27 o   67.335   7.7819   46.252   10.424 3.143257 15.56390 
1 1 1    6   17   28 o   55.769   9.3471   35.539   10.452 -16.36808 18.69427 
1 1 1    6   17   29 o  160.737   3.6331  258.457   11.652 15.52171 7.266265 
1 1 1    6   17   30 o  104.765   5.4146  111.393   11.229 1.450165 10.82929 
1 1 1    6   17   31 o  158.700   3.8832  254.137   12.192 -3.541458 7.766325 
1 1 1    6   17   32 o   29.114   9.2922  -6.8484   11.468 -0.3542137 18.58438 
1 1 1    6   17   33 o   79.075   7.3199   62.487   11.387 16.93645 14.63974 
1 1 1    6   17   34 o   61.640   9.7110   41.966   11.526 -1.763973 19.42210 
1 1 1    6   17   35 o   98.213   5.9596   97.915   11.605 4.557571 11.91915 
1 1 1    6   17   36 o   34.869   10.137   2.8197   11.962 -11.32124 20.27478 
1 1 1    6   18    0 o  290.750   3.4973  802.930   19.800 69.73412 6.994699 
1 1 1    6   18    1 o  561.064   5.5875  3149.76   62.658 13.66699 11.17509 
1 1 1    6   18    2 o  567.622   4.8337  3283.24   53.444 51.71283 9.667439 
1 1 1    6   18    3 o  633.200   5.4158  4034.35   65.132 10.12219 10.83164 
1 1 1    6   18    4 o  776.037   6.5755  6087.95   97.837 25.17560 13.15099 
1 1 1    6   18    5 o  458.706   4.0799  2140.43   35.756 26.93826 8.159820 
1 1 1    6   18    6 o  440.746   3.9924  1934.89   32.537 -5.467133 7.984726 
1 1 1    6   18    7 o  118.168   5.1256  148.802   9.2666 11.98434 10.25129 
1 1 1    6   18    8 o  245.702   3.2824  614.021   14.221 8.714310 6.564806 
1 1 1    6   18    9 o  146.825   7.6570  215.973   22.485      ?      ? 
1 1 1    6   18   10 o  122.267   9.1601  149.914   22.399      ?      ? 
1 1 1    6   18   11 o  236.095   3.4531  565.875   14.292 7.173447 6.906282 
1 1 1    6   18   12 o  348.186   3.5564  1199.48   22.463 -9.403717 7.112712 
1 1 1    6   18   13 o  112.682   5.7632  125.901   10.875 -2.168785 11.52636 
1 1 1    6   18   14 o  110.868   4.0928  122.498   9.0507 10.46915 8.185558 
1 1 1    6   18   15 o  296.386   2.6568  878.925   15.746 -6.896088 5.313619 
1 1 1    6   18   16 o  262.211   2.6643  687.957   13.970 3.878021 5.328557 
1 1 1    6   18   17 o  359.868   2.9163  1296.40   20.989 -4.124725 5.832564 
1 1 1    6   18   18 o  166.974   3.2051  279.245   10.693 0.1917419 6.410204 
1 1 1    6   18   19 o  143.323   3.5685  205.954   10.227 -0.3934479 7.136954 
1 1 1    6   18   20 o  302.063   2.7304  913.653   16.494 -4.370911 5.460761 
1 1 1    6   18   21 o   66.290   7.5905   45.772   9.6915 -10.86683 15.18103 
1 1 1    6   18   22 o  217.891   2.7728  475.779   12.069 0.5066071 5.545547 
1 1 1    6   18   23 o  181.637   3.0109  330.565   10.925 3.400482 6.021880 
1 1 1    6   18   24 o  186.191   4.2679  347.279   15.893      ?      ? 
1 1 1    6   18   25 o  192.931   4.8281  373.639   18.630      ?      ? 
1 1 1    6   18   26 f  100.421   5.1488  100.755   10.251 8.126068 10.29759 
1 1 1    6   18   27 o  145.883   3.7944  214.481   11.007 1.736221 7.588860 
1 1 1    6   18   28 o  154.861   5.3964  240.458   16.714      ?      ? 
1 1 1    6   18   29 o  112.739   4.8872  129.444   10.942 -5.973236 9.774391 
1 1 1    6   18   30 o  207.012   3.2636  428.732   13.415 7.823013 6.527251 
1 1 1    6   18   31 o   20.517   7.2261 -38.8941   11.436 3.257956 14.45227 
1 1 1    6   18   32 o   71.116   8.6091   55.750   11.444 -15.03688 17.21828 
1 1 1    6   18   33 o  102.944   5.8335  111.539   11.530 -13.66839 11.66695 
1 1 1    6   18   34 o   41.536   10.630   16.263   11.364 -2.510704 21.25936 
1 1 1    6   18   35 o   87.438   6.5505   78.195   11.273 -0.6569290 13.10100 
1 1 1    6   19    0 o  181.948   3.4869  326.949   12.568 -16.67491 6.973828 
1 1 1    6   19    1 o  257.649   3.3166  661.897   16.947 -6.954926 6.633178 
1 1 1    6   19    2 o  329.507   3.2139  1089.65   19.405 2.480133 6.427855 
1 1 1    6   19    3 o  255.437   5.1938  653.091   26.534      ?      ? 
1 1 1    6   19    4 o  192.490   3.2516  384.673   9.9541 12.08435 6.503236 
1 1 1    6   19    5 o  439.203   3.9884  1879.65   31.609 -26.44943 7.976729 
1 1 1    6   19    6 o  196.007   5.9180  384.613   23.199      ?      ? 
1 1 1    6   19    7 o  241.330   5.5381  582.982   26.730      ?      ? 
1 1 1    6   19    8 o  223.672   3.3857  517.201   13.036 14.87158 6.771417 
1 1 1    6   19    9 o  537.984   4.7227  2886.16   47.400 -6.415161 9.445436 
1 1 1    6   19   10 o  234.867   3.2769  544.111   13.429 -6.829559 6.553724 
1 1 1    6   19   11 o  665.481   5.7388  4401.96   71.022 -15.39014 11.47763 
1 1 1    6   19   12 o  121.660   5.5555  168.107   10.585 27.51647 11.11106 
1 1 1    6   19   13 o  141.253   4.6254  204.006   10.881 5.355499 9.250713 
1 1 1    6   19   14 o  397.434   3.0067  1581.24   23.899 -0.2915039 6.013396 
1 1 1    6   19   15 o  137.460   4.6046  189.197   12.659      ?      ? 
1 1 1    6   19   16 o  266.249   2.6163  709.443   13.930 -5.812592 5.232596 
1 1 1    6   19   17 o  151.333   3.2481  229.759   9.8106 -3.815125 6.496276 
1 1 1    6   19   18 o   68.913   6.4710   47.802   8.8919 1.413849 12.94196 
1 1 1    6   19   19 o  141.515   3.4125  201.110   9.6378 -5.037140 6.825016 
1 1 1    6   19   20 o  321.138   2.7538  1033.23   17.686 -2.792297 5.507501 
1 1 1    6   19   21 o  128.633   3.8249  165.672   9.8192 5.712524 7.649826 
1 1 1    6   19   22 o   91.321   5.1602   84.330   9.3735 -2.698021 10.32049 
1 1 1    6   19   23 f  242.066   3.7969  586.879   18.382      ?      ? 
1 1 1    6   19   24 o   37.671   14.405   10.204   15.176      ?      ? 
1 1 1    6   19   25 o   80.432   6.2649   67.918   9.7178 -15.63460 12.52976 
1 1 1    6   19   26 o   96.462   5.4288   93.832   10.330 2.941826 10.85770 
1 1 1    6   19   27 o  161.118   4.9090  260.215   15.819      ?      ? 
1 1 1    6   19   28 o   19.324   6.8072 -39.2754   10.664 -3.185619 13.61449 
1 1 1    6   19   29 o  144.614   4.0986  209.123   11.742 9.617737 8.197220 
1 1 1    6   19   30 o  114.620   5.0754  131.395   11.478 8.149307 10.15076 
1 1 1    6   19   31 o   27.165   8.8893 -12.4444   11.201 5.973248 17.77854 
1 1 1    6   19   32 o  136.361   4.3266  184.958   11.630 12.69429 8.653138 
1 1 1    6   19   33 o   42.284   10.598   17.444   11.132 -1.208851 21.19676 
1 1 1    6   19   34 o   57.020   9.9028   34.866   11.121 7.323158 19.80559 
1 1 1    6   19   35 o   43.252   10.294   20.153   10.600 -3.946335 20.58754 
1 1 1    6   20    0 o  289.232   3.4898  838.389   20.154 8.801788 6.979696 
1 1 1    6   20    1 o  409.904   4.2871  1682.39   35.142 5.945435 8.574134 
1 1 1    6   20    2 o  445.910   3.9776  2021.78   33.920 25.41928 7.955203 
1 1 1    6   20    3 f  287.934   3.1658  871.185   16.810 41.48050 6.331686 
1 1 1    6   20    4 o  452.887   4.0832  2051.28   34.584 -1.186096 8.166385 
1 1 1    6   20    5 f  465.535   4.1923  2130.88   35.853 -20.71576 8.384582 
1 1 1    6   20    6 o  410.386   3.7786  1688.50   28.910 1.805389 7.557169 
1 1 1    6   20    7 f  363.250   3.5016  1303.17   22.908 -10.93118 7.003274 
1 1 1    6   20    8 o  187.823   3.4273  349.239   10.590 -3.529404 6.854681 
1 1 1    6   20    9 o  234.793   3.1725  540.203   12.950 -9.787231 6.344988 
1 1 1    6   20   10 o  186.233   3.4886  341.882   10.989 -5.255600 6.977233 
1 1 1    6   20   11 o  252.359   3.2235  631.121   14.279 -5.171768 6.447021 
1 1 1    6   20   12 o  312.397   3.3394  974.269   19.000 -2.096252 6.678883 
1 1 1    6   20   13 o  236.105   3.3295  553.471   13.912 -4.141556 6.659068 
1 1 1    6   20   14 o   82.588   8.3443   77.429   10.484 17.07900 16.68866 
1 1 1    6   20   15 o  217.042   3.5013  471.497   15.199      ?      ? 
1 1 1    6   20   16 o  170.935   2.7526  292.699   9.4073 -4.889847 5.505260 
1 1 1    6   20   17 o  140.205   3.1963  196.572   8.9503 4.976440 6.392600 
1 1 1    6   20   18 o  211.091   2.5638  446.382   10.810 -1.513702 5.127518 
1 1 1    6   20   19 f  153.291   3.0693  236.746   9.3577 -10.08463 6.138592 
1 1 1    6   20   20 o  129.891   3.5828  169.354   9.2612 -0.4403687E-01 7.165587 
1 1 1    6   20   21 o  203.069   2.7819  413.276   11.282 1.282501 5.563780 
1 1 1    6   20   23 o   67.572   11.031   46.330   14.908      ?      ? 
1 1 1    6   20   24 o  210.997   2.7994  445.121   11.779 8.307541 5.598810 
1 1 1    6   20   25 o  105.340   4.7967  112.616   9.9681 -3.442505 9.593398 
1 1 1    6   20   26 o  103.558   5.2579  111.041   10.569 -17.64492 10.51574 
1 1 1    6   20   28 o   49.882   10.048   27.501   10.594 -7.000690 20.09595 
1 1 1    6   20   29 o  145.692   4.1170  211.729   11.837 7.838104 8.234039 
1 1 1    6   20   30 o   56.191   9.9994   35.315   11.197 -8.522041 19.99870 
1 1 1    6   20   31 o  180.384   3.4627  323.583   12.321 13.05833 6.925337 
1 1 1    6   20   32 o   34.250   9.9809   5.1274   10.857 5.097021 19.96186 
1 1 1    6   20   33 o  143.004   4.0402  204.940   11.450 7.996597 8.080338 
1 1 1    6   20   34 o   39.477   10.040   13.539   10.767 -11.64500 20.08086 
1 1 1    6   21    0 f  238.949   3.2825  570.370   15.477 -2.779099 6.565086 
1 1 1    6   21    1 o  285.364   3.4412  812.778   19.414 -5.286407 6.882394 
1 1 1    6   21    2 o  261.553   3.0191  670.218   13.286 -10.01859 6.038153 
1 1 1    6   21    3 o  244.129   5.3812  596.736   26.274      ?      ? 
1 1 1    6   21    4 f  189.230   6.0243  358.652   22.799      ?      ? 
1 1 1    6   21    5 o  247.305   5.3741  612.396   26.581      ?      ? 
1 1 1    6   21    6 o  237.780   5.3860  566.166   25.614      ?      ? 
1 1 1    6   21    7 o  261.962   5.3155  687.211   27.849      ?      ? 
1 1 1    6   21    8 o   90.168   5.9491   82.872   7.4735 2.195061 11.89813 
1 1 1    6   21    9 o  214.643   3.1664  464.542   11.630 3.108536 6.332808 
1 1 1    6   21   10 o   89.042   6.1392   76.377   8.4485 -5.504784 12.27844 
1 1 1    6   21   11 o  104.053   5.8244  119.062   9.1610 15.75105 11.64876 
1 1 1    6   21   12 o  149.926   7.1919  225.491   21.565      ?      ? 
1 1 1    6   21   13 f  203.614   3.4350  411.336   12.059 -3.621277 6.870080 
1 1 1    6   21   14 f   74.798   8.5681   63.383   9.7334 14.32672 17.13625 
1 1 1    6   21   15 o   97.414   6.0652   93.531   9.9515 -3.516876 12.13033 
1 1 1    6   21   16 o   36.393   8.5424   12.547   7.4910 -8.125469 17.08483 
1 1 1    6   21   17 o  122.296   3.3229  150.774   8.0820 -11.19480 6.645707 
1 1 1    6   21   18 o  263.539   2.4772  694.583   13.033 6.587524 4.954382 
1 1 1    6   21   19 o  262.655   2.5072  690.434   13.152 4.750458 5.014471 
1 1 1    6   21   21 o  250.256   3.7789  626.976   18.914      ?      ? 
1 1 1    6   21   22 o  133.771   3.7964  179.877   10.126 -13.36954 7.592862 
1 1 1    6   21   23 o   77.759   6.0443   61.368   9.3759 -1.099693 12.08857 
1 1 1    6   21   24 o  107.754   4.5159  116.998   9.7114 1.976555 9.031817 
1 1 1    6   21   26 o   97.521   7.3096   96.375   14.257      ?      ? 
1 1 1    6   21   27 o   45.243   9.8740   21.914   9.9950 -7.652962 19.74797 
1 1 1    6   21   28 o  125.074   5.9600  157.528   14.909      ?      ? 
1 1 1    6   21   29 o  108.601   5.1930  119.229   11.205 5.126091 10.38591 
1 1 1    6   21   30 o   55.807   10.283   35.613   11.760 -13.42527 20.56557 
1 1 1    6   21   31 o   27.848   9.0469  -9.4918   11.358 0.8063793 18.09388 
1 1 1    6   21   32 o   32.910   9.2684   1.3345   10.798 -15.31838 18.53677 
1 1 1    6   21   33 o  102.984   5.5723  105.962   11.372 18.27940 11.14460 
1 1 1    6   22    0 o  242.158   3.2193  588.661   15.437 5.064209 6.438611 
1 1 1    6   22    1 o  426.085   3.8321  1815.65   30.563 -1.468933 7.664137 
1 1 1    6   22    2 o  350.985   5.5819  1233.89   39.183      ?      ? 
1 1 1    6   22    3 o  323.950   5.4503  1051.08   35.312      ?      ? 
1 1 1    6   22    4 o  201.313   5.5396  405.941   22.304      ?      ? 
1 1 1    6   22    5 o  124.878   7.8227  156.480   19.538      ?      ? 
1 1 1    6   22    6 o  113.017   8.6912  128.287   19.645      ?      ? 
1 1 1    6   22    7 o  268.419   5.2422  721.673   28.142      ?      ? 
1 1 1    6   22    8 o  377.220   4.1264  1424.72   31.117 11.49384 8.252716 
1 1 1    6   22    9 o  122.747   5.3973  152.954   13.028 9.157906 10.79456 
1 1 1    6   22   10 o  115.988   5.8481  131.006   13.283 -33.01551 11.69615 
1 1 1    6   22   11 o  297.962   3.2376  898.067   17.691 7.775757 6.475156 
1 1 1    6   22   12 o  123.228   4.5958  149.041   9.0842 -4.307899 9.191623 
1 1 1    6   22   13 o  136.345   4.3159  184.701   9.4564 -2.028107 8.631783 
1 1 1    6   22   14 o  114.093   5.1376  134.408   9.3636 5.599014 10.27515 
1 1 1    6   22   15 o   73.963   7.3583   50.573   9.3054 -11.80663 14.71650 
1 1 1    6   22   16 o  249.000   3.2037  619.385   14.320 -1.718643 6.407462 
1 1 1    6   22   17 f  134.715   2.8983  180.292   7.7461 9.033783 5.796630 
1 1 1    6   22   18 o   20.704   6.8895 -11.0658   7.3337 -0.6383247 13.77898 
1 1 1    6   22   19 o  228.949   3.4537  525.508   15.814      ?      ? 
1 1 1    6   22   21 o  260.305   2.5690  678.847   13.365 -11.13872 5.138005 
1 1 1    6   22   22 o  143.316   3.3376  206.484   9.5517 -2.581955 6.675297 
1 1 1    6   22   23 o   89.951   5.1503   81.804   9.2331 10.48621 10.30069 
1 1 1    6   22   26 f  111.844   4.4593  126.621   9.9703 -0.2120209E-01 8.918570 
1 1 1    6   22   27 o  177.216   4.7473  315.464   16.826      ?      ? 
1 1 1    6   22   28 f   89.837   6.0592   81.739   10.706 22.99876 12.11831 
1 1 1    6   22   29 o   44.438   9.9440   17.804   10.755 22.49024 19.88808 
1 1 1    6   22   30 o  128.938   4.6036  165.381   11.753 19.18683 9.207106 
1 1 1    6   22   31 o   85.129   6.6200   76.163   10.988 -13.67284 13.23992 
1 1 1    6   22   32 o   85.751   6.2752   74.412   10.707 6.407066 12.55043 
1 1 1    6   22   33 o   66.568   12.700   53.628   16.302      ?      ? 
1 1 1    6   23    0 o  263.776   3.2608  697.138   17.037 1.326782 6.521668 
1 1 1    6   23    1 o  318.043   5.2501  1013.21   33.395      ?      ? 
1 1 1    6   23    2 o  275.751   5.1221  761.601   28.248      ?      ? 
1 1 1    6   23    3 o  352.171   5.6093  1242.64   39.508      ?      ? 
1 1 1    6   23    4 o  176.633   6.0046  312.683   21.212      ?      ? 
1 1 1    6   23    5 o  127.932   7.7319  164.265   19.783      ?      ? 
1 1 1    6   23    6 o  223.003   5.4534  498.210   24.323      ?      ? 
1 1 1    6   23    7 o  209.054   5.5115  437.875   23.044      ?      ? 
1 1 1    6   23    8 o  393.205   6.0516  1550.06   47.591      ?      ? 
1 1 1    6   23    9 o  250.856   3.6172  630.302   18.081 -1.554672 7.234327 
1 1 1    6   23   10 o  202.410   3.7917  411.583   15.287 4.406906 7.583348 
1 1 1    6   23   11 o  279.413   3.6550  783.376   20.409 7.801208 7.310019 
1 1 1    6   23   12 f  213.460   5.6080  457.026   23.942      ?      ? 
1 1 1    6   23   13 o  153.185   3.8996  236.790   9.4275 1.756180 7.799175 
1 1 1    6   23   14 o   60.748   8.9251   36.817   8.5734 -2.116859 17.85010 
1 1 1    6   23   15 o  189.311   3.3907  354.349   11.022 -5.019455 6.781332 
1 1 1    6   23   16 o  102.306   5.2947   96.246   9.3294 -17.09664 10.58943 
1 1 1    6   23   17 o   85.528   6.7233   70.441   9.7828 -7.742378 13.44665 
1 1 1    6   23   20 o  105.734   3.7850  113.193   7.8683 -3.182274 7.569906 
1 1 1    6   23   21 o   67.326   5.9749   44.520   7.9105 12.80078 11.94988 
1 1 1    6   23   22 f  128.094   3.5823  166.398   9.1149 -7.936134 7.164638 
1 1 1    6   23   25 o   72.530   6.7313   54.297   9.7173 -4.255066 13.46261 
1 1 1    6   23   26 o  208.769   4.2421  437.401   17.713      ?      ? 
1 1 1    6   23   27 o   28.741   8.9703  -3.3011   10.068 4.721245 17.94058 
1 1 1    6   23   28 f   40.580   9.8651   15.491   10.372 -13.28898 19.73028 
1 1 1    6   23   29 o  138.205   4.0532  193.441   11.169 -3.651794 8.106423 
1 1 1    6   23   30 f   34.921   9.9511   6.3689   10.784 6.002398 19.90228 
1 1 1    6   23   31 o   70.636   7.8709   52.300   10.618 20.25560 15.74176 
1 1 1    6   23   32 o   51.244   11.072   30.026   11.656 -2.874325 22.14387 
1 1 1    6   24    0 f  452.401   6.5732  2052.55   59.474      ?      ? 
1 1 1    6   24    1 o  439.999   6.4423  1941.37   56.692      ?      ? 
1 1 1    6   24    2 o  490.604   7.0613  2415.14   69.286      ?      ? 
1 1 1    6   24    3 o  217.630   5.2527  474.563   22.863      ?      ? 
1 1 1    6   24    4 o  190.229   5.5689  362.730   21.187      ?      ? 
1 1 1    6   24    5 o  345.457   5.5865  1196.52   38.598      ?      ? 
1 1 1    6   24    6 o   94.973   9.6794   90.984   18.386      ?      ? 
1 1 1    6   24    7 o   52.165   15.605   28.232   17.533      ?      ? 
1 1 1    6   24    8 f  200.907   5.4064  404.808   21.724      ?      ? 
1 1 1    6   24    9 o  336.733   3.8512  1137.16   25.935 2.469604 7.702365 
1 1 1    6   24   10 o  399.602   4.2686  1602.57   34.110 -2.065399 8.537153 
1 1 1    6   24   11 o  294.425   3.6719  869.651   21.611 1.756500 7.343813 
1 1 1    6   24   12 o  389.310   4.2269  1521.79   32.896 -3.640686 8.453882 
1 1 1    6   24   13 o  237.059   3.1594  571.891   13.216 7.863632 6.318896 
1 1 1    6   24   14 o   52.371   9.3785   26.831   7.8936 -5.152145 18.75696 
1 1 1    6   24   15 f   82.926   6.5127   67.411   8.6694 -3.926704 13.02540 
1 1 1    6   24   16 o   95.924   7.6313   98.615   13.912 27.60221 15.26256 
1 1 1    6   24   17 o  262.712   3.3425  626.594   14.999 -46.25414 6.684979 
1 1 1    6   24   18 o   85.766   8.7990   97.180   10.668 40.42432 17.59805 
1 1 1    6   24   19 o  153.628   2.7243  236.611   8.3016 0.3656158 5.448693 
1 1 1    6   24   20 o   98.247   5.1942   97.063   10.206      ?      ? 
1 1 1    6   24   21 o   57.379   7.2327   34.436   8.0724 9.661491 14.46549 
1 1 1    6   24   23 o  179.858   2.9026  323.327   10.413 -15.43536 5.805221 
1 1 1    6   24   24 o   74.257   6.2922   56.579   9.3187 -2.349785 12.58442 
1 1 1    6   24   25 o  243.974   4.0209  597.127   19.620      ?      ? 
1 1 1    6   24   26 o   26.748   8.9488 -14.3987   10.955 8.404770 17.89750 
1 1 1    6   24   27 o   32.432   9.9745   0.7606   11.117 2.518538 19.94904 
1 1 1    6   24   28 o   43.961   10.154   20.311   10.230 -0.7031822 20.30898 
1 1 1    6   24   29 f   44.602   10.182   20.446   10.440 8.471058 20.36471 
1 1 1    6   24   30 o   91.413   5.7664   84.682   10.507 10.62939 11.53286 
1 1 1    6   24   31 o   48.403   9.6998   25.928   9.9601 -8.935299 19.39964 
1 1 1    6   25    0 o  290.280   4.9075  844.664   28.491      ?      ? 
1 1 1    6   25    1 o  203.043   4.8740  413.245   19.793      ?      ? 
1 1 1    6   25    2 o   95.608   8.3450   92.041   15.957      ?      ? 
1 1 1    6   25    3 o  268.296   4.8973  721.516   26.279      ?      ? 
1 1 1    6   25    4 o  123.380   6.9834  152.937   17.232      ?      ? 
1 1 1    6   25    5 o  260.398   4.9311  679.643   25.681      ?      ? 
1 1 1    6   25    6 o  173.901   5.3837  303.283   18.724      ?      ? 
1 1 1    6   25    7 o  169.531   5.5705  288.357   18.887      ?      ? 
1 1 1    6   25    8 o  347.670   5.5285  1212.94   38.442      ?      ? 
1 1 1    6   25    9 o  104.533   8.5717  110.239   17.921      ?      ? 
1 1 1    6   25   10 o  186.702   3.7589  350.784   13.980 6.157272 7.517719 
1 1 1    6   25   11 o   39.811   10.570   11.706   11.896 8.801552 21.14049 
1 1 1    6   25   12 o  180.074   3.9717  326.570   14.199 4.028198 7.943315 
1 1 1    6   25   13 o  290.822   3.7033  845.580   21.428 -12.50424 7.406589 
1 1 1    6   25   14 o  183.227   3.6694  352.588   10.711 14.33632 7.338760 
1 1 1    6   25   15 o  283.758   5.6192  806.881   31.890      ?      ? 
1 1 1    6   25   16 o  162.404   7.0324  265.089   22.842      ?      ? 
1 1 1    6   25   17 o  168.566   3.6882  278.206   10.544 -8.053207 7.376429 
1 1 1    6   25   18 o  171.359   3.7335  299.981   10.869 5.692642 7.466972 
1 1 1    6   25   19 o  141.613   4.1249  198.008   10.115 -5.326126 8.249759 
1 1 1    6   25   20 o  144.614   4.1168  209.719   11.907      ?      ? 
1 1 1    6   25   21 o   73.427   6.8344   58.754   8.3554 57.20322 13.66870 
1 1 1    6   25   22 o   78.444   5.3121   64.764   7.9940 -22.79359 10.62412 
1 1 1    6   25   23 o  113.509   3.7424  130.314   8.4463 -4.390099 7.484741 
1 1 1    6   25   24 f  165.920   2.9503  276.696   9.7241 -2.083801 5.900654 
1 1 1    6   25   25 o   88.733   5.3416   81.471   9.2858 -10.74939 10.68312 
1 1 1    6   25   26 o   25.288   8.1989  -8.9989   9.3137 5.357670 16.39778 
1 1 1    6   25   27 o  143.012   3.6571  206.053   10.377 1.614502 7.314191 
1 1 1    6   25   28 o  141.696   3.8019  201.441   10.744 11.90797 7.603822 
1 1 1    6   25   29 o  104.605   5.0357  111.446   10.480 -8.780823 10.07134 
1 1 1    6   25   30 o   29.766   9.1014  -0.2119   9.9386 -0.2159595 18.20275 
1 1 1    6   26    0 o  170.408   5.0701  291.235   17.280      ?      ? 
1 1 1    6   26    1 o  144.033   5.5918  208.191   16.108      ?      ? 
1 1 1    6   26    2 o  186.820   4.9390  349.992   18.454      ?      ? 
1 1 1    6   26    3 o  122.958   6.4869  151.926   15.952      ?      ? 
1 1 1    6   26    4 o  233.477   4.7274  546.566   22.075      ?      ? 
1 1 1    6   26    5 o  184.344   5.0179  340.888   18.500      ?      ? 
1 1 1    6   26    6 f   82.623   9.6044   69.099   15.871      ?      ? 
1 1 1    6   26    7 o  146.299   6.0107  215.137   17.587      ?      ? 
1 1 1    6   26    8 o  170.602   5.5524  292.371   18.945      ?      ? 
1 1 1    6   26    9 o  145.643   6.2402  213.326   18.177      ?      ? 
1 1 1    6   26   10 o  163.703   3.9502  268.145   12.798 -4.492950 7.900345 
1 1 1    6   26   11 o  285.144   3.6187  818.120   20.607 17.09723 7.237322 
1 1 1    6   26   12 o  139.411   4.9678  197.693   13.462 6.341965 9.935588 
1 1 1    6   26   13 o  223.817   3.7551  496.207   16.515 -12.71698 7.510127 
1 1 1    6   26   14 o  192.601   4.1150  377.267   15.448 12.70305 8.229996 
1 1 1    6   26   15 o  148.234   7.2602  222.649   21.524      ?      ? 
1 1 1    6   26   16 o  131.641   4.3809  187.337   8.0163 14.18629 8.761849 
1 1 1    6   26   17 o   35.602   9.3950   10.460   7.1597 -4.916134 18.79008 
1 1 1    6   26   18 o   75.650   13.642   63.297   19.886      ?      ? 
1 1 1    6   26   19 o  189.163   3.4139  352.025   11.352 -7.015015 6.827742 
1 1 1    6   26   20 o   33.576   9.5451   6.5129   9.7761 3.663530 19.09012 
1 1 1    6   26   21 o   80.891   4.6618   66.140   7.5065 1.775841 9.323544 
1 1 1    6   26   22 o  128.432   4.7978  165.819   12.324      ?      ? 
1 1 1    6   26   23 o   17.297   6.0907 -29.6944   8.0847 5.264564 12.18136 
1 1 1    6   26   24 o   39.019   9.0867   15.315   8.1793 2.541729 18.17346 
1 1 1    6   26   25 o   32.604   8.9616   6.8535   8.4035 7.109417 17.92311 
1 1 1    6   26   26 o   98.940   4.7054   99.784   9.2686 -5.284561 9.410794 
1 1 1    6   26   27 o  166.657   3.1596  280.055   10.500 -14.77931 6.319253 
1 1 1    6   26   28 o  101.273   4.7229  103.743   9.5657 -1.172409 9.445767 
1 1 1    6   26   29 o   39.898   9.2533   14.508   9.3676 -18.58529 18.50653 
1 1 1    6   27    0 o   96.506   7.5150   93.908   14.505      ?      ? 
1 1 1    6   27    1 o  205.026   4.6716  421.707   19.156      ?      ? 
1 1 1    6   27    2 o  145.754   5.4189  213.360   15.797      ?      ? 
1 1 1    6   27    3 o  224.070   4.6639  503.674   20.901      ?      ? 
1 1 1    6   27    4 o  123.557   6.4514  153.592   15.942      ?      ? 
1 1 1    6   27    5 o  209.060   4.8660  438.588   20.346      ?      ? 
1 1 1    6   27    6 o  324.319   5.2438  1056.27   34.013      ?      ? 
1 1 1    6   27    7 o  269.833   4.8964  731.127   26.424      ?      ? 
1 1 1    6   27    8 o  323.221   5.2626  1050.85   34.020      ?      ? 
1 1 1    6   27    9 o  178.882   5.7028  321.486   20.403      ?      ? 
1 1 1    6   27   10 o  454.792   6.7220  2074.55   61.142      ?      ? 
1 1 1    6   27   11 o  221.747   4.0044  497.500   16.942 87.31093 8.008821 
1 1 1    6   27   12 o  203.339   3.7003  409.306   14.711 -14.63864 7.400676 
1 1 1    6   27   13 o  106.192   5.7392  113.230   12.015 -5.681503 11.47847 
1 1 1    6   27   14 o  169.706   4.0689  290.343   13.724 2.213165 8.137705 
1 1 1    6   27   15 o  143.200   4.5853  207.164   13.007 1.761688 9.170542 
1 1 1    6   27   16 o   47.236   9.2080   22.550   11.741 35.15984 18.41591 
1 1 1    6   27   17 f  180.806   5.9330  328.021   21.455      ?      ? 
1 1 1    6   27   18 o  195.080   5.7916  383.121   22.596      ?      ? 
1 1 1    6   27   19 o  108.454   4.9803  122.972   8.4379 6.472389 9.960515 
1 1 1    6   27   20 f  153.919   3.7504  240.048   9.5357 2.096359 7.500730 
1 1 1    6   27   21 o  135.424   4.5189  197.855   9.8830 17.35276 9.037822 
1 1 1    6   27   22 o  143.049   4.3538  205.351   10.418 -1.593338 8.707663 
1 1 1    6   27   23 o   32.560   8.6504   8.5717   7.6336 0.7437897E-01 17.30090 
1 1 1    6   27   24 f   65.768   6.0663   44.114   7.9681 3.057701 12.13262 
1 1 1    6   27   25 o   37.501   9.0851   13.427   8.2359 7.928513 18.17026 
1 1 1    6   27   26 o   54.433   8.2782   31.683   8.7150 6.679207 16.55633 
1 1 1    6   27   27 o  110.082   4.2247  122.237   9.2815 0.5376816 8.449433 
1 1 1    6   27   28 o   41.097   8.5524   15.614   8.8573 -26.43187 17.10476 
1 1 1    6   28    0 o  204.555   4.7621  420.432   19.482      ?      ? 
1 1 1    6   28    1 o  125.310   6.1701  158.282   15.463      ?      ? 
1 1 1    6   28    2 o  148.177   5.6248  220.970   16.669      ?      ? 
1 1 1    6   28    3 o   84.160   9.0800   71.866   15.283      ?      ? 
1 1 1    6   28    4 o  211.810   4.6571  449.911   19.728      ?      ? 
1 1 1    6   28    5 o  158.175   5.3150  250.806   16.814      ?      ? 
1 1 1    6   28    6 o  278.218   4.8490  775.193   26.981      ?      ? 
1 1 1    6   28    7 o  242.465   4.8088  588.720   23.319      ?      ? 
1 1 1    6   28    8 o  195.382   5.1513  382.761   20.129      ?      ? 
1 1 1    6   28    9 o  193.094   5.2993  375.534   20.465      ?      ? 
1 1 1    6   28   10 o  144.690   6.5194  211.346   18.866      ?      ? 
1 1 1    6   28   11 o  182.529   5.6010  335.207   20.447      ?      ? 
1 1 1    6   28   12 o   82.475   6.8893   68.272   11.220 -7.766006 13.77857 
1 1 1    6   28   13 o   76.284   8.0091   61.765   11.616 8.760452 16.01830 
1 1 1    6   28   15 o  208.959   3.7831  430.744   15.661 -24.35846 7.566189 
1 1 1    6   28   16 o  199.069   3.8055  399.653   15.010 4.996094 7.610928 
1 1 1    6   28   17 o  258.372   3.6056  669.629   18.572 -12.71690 7.211129 
1 1 1    6   28   18 o   33.302   9.6422  -8.6593   12.699 21.25667 19.28436 
1 1 1    6   28   19 o  192.984   3.3365  382.553   10.973 8.859909 6.672929 
1 1 1    6   28   20 o   96.447   5.8017   91.164   8.7673 -4.965172 11.60334 
1 1 1    6   28   21 o   27.242   8.8315  -4.4399   8.7415 -6.764545 17.66309 
1 1 1    6   28   22 o  100.304   5.8092  100.449   9.3386 -2.535767 11.61836 
1 1 1    6   28   23 f   85.674   6.4832   64.200   9.4516 -23.49061 12.96631 
1 1 1    6   28   24 f   50.769   7.8988   27.964   7.8307 9.992664 15.79766 
1 1 1    6   28   25 o   73.500   5.6463   55.299   8.2321 -11.71100 11.29267 
1 1 1    6   28   26 o  108.386   3.9106  120.070   8.3388 20.35638 7.821181 
1 1 1    6   28   27 o   87.930   4.7346   83.427   8.0504 17.61920 9.469135 
1 1 1    6   29    0 o   26.349   12.184 -12.0976   15.161      ?      ? 
1 1 1    6   29    1 o   82.794   10.164   69.606   16.830      ?      ? 
1 1 1    6   29    2 o  127.059   6.7141  162.735   17.062      ?      ? 
1 1 1    6   29    3 o  122.404   6.3768  151.238   15.611      ?      ? 
1 1 1    6   29    4 o  118.536   6.4693  142.147   15.337      ?      ? 
1 1 1    6   29    5 o  122.571   6.3640  151.794   15.601      ?      ? 
1 1 1    6   29    6 o   80.654   9.3254   66.204   15.043      ?      ? 
1 1 1    6   29    7 o  145.764   5.7133  213.808   16.656      ?      ? 
1 1 1    6   29    8 o  106.517   7.5225  114.801   16.026      ?      ? 
1 1 1    6   29    9 o   68.303   12.422   49.511   16.342      ?      ? 
1 1 1    6   29   10 f  104.449   8.4237  110.963   17.597      ?      ? 
1 1 1    6   29   11 o   21.877   10.871 -41.6312   18.386      ?      ? 
1 1 1    6   29   12 o  199.536   3.8774  386.672   15.211 -38.17923 7.754738 
1 1 1    6   29   13 o  230.262   3.7159  534.203   17.001 29.37862 7.431720 
1 1 1    6   29   14 o   89.181   8.1571  112.545   13.266 109.3442 16.31412 
1 1 1    6   29   15 o  147.178   4.6759  221.923   13.555 13.30617 9.351897 
1 1 1    6   29   16 f  194.950   3.9712  383.590   15.457 -1.194244 7.942385 
1 1 1    6   29   17 o   79.077   8.4031   64.233   13.258 -7.594864 16.80622 
1 1 1    6   29   18 o   70.953   9.7881   54.481   13.492 12.50309 19.57614 
1 1 1    6   29   19 o   74.235   9.9240   64.151   13.987 37.90594 19.84791 
1 1 1    6   29   20 o   45.817   10.049   14.598   7.8834 -26.16258 20.09865 
1 1 1    6   29   21 o   79.746   7.8779   72.426   8.5378 13.11717 15.75590 
1 1 1    6   29   22 o   30.201   9.3642  -1.4884   8.5867 -14.29680 18.72844 
1 1 1    6   29   23 o   76.380   7.4970   61.753   9.0292 4.013748 14.99403 
1 1 1    6   29   24 o   50.668   9.9451   25.706   9.2242 -7.365219 19.89028 
1 1 1    6   29   25 o  112.593   4.9708  127.301   9.5697 -1.333862 9.941664 
1 1 1    6   30    0 o  200.434   4.6298  403.553   18.559      ?      ? 
1 1 1    6   30    1 o  236.640   4.5955  562.474   21.750      ?      ? 
1 1 1    6   30    2 o  141.800   5.6330  202.406   15.975      ?      ? 
1 1 1    6   30    3 o  278.661   4.8533  780.294   27.048      ?      ? 
1 1 1    6   30    4 o  178.321   5.1447  319.719   18.348      ?      ? 
1 1 1    6   30    5 o  140.936   6.0400  200.251   17.025      ?      ? 
1 1 1    6   30    6 o  153.136   5.8208  236.975   17.828      ?      ? 
1 1 1    6   30    7 o   28.813   13.110  -7.4962   16.621      ?      ? 
1 1 1    6   30    8 o   23.291   11.396 -33.0287   17.784      ?      ? 
1 1 1    6   30    9 o  146.434   7.0952  215.523   20.779      ?      ? 
1 1 1    6   30   10 o  234.175   5.6240  550.164   26.340      ?      ? 
1 1 1    6   30   11 f   93.956   11.238   90.757   21.118      ?      ? 
1 1 1    6   30   12 o  130.396   7.7174  172.918   20.126      ?      ? 
1 1 1    6   30   13 o  124.376   5.2192  157.107   12.968 -1.468834 10.43837 
1 1 1    6   30   14 o   64.922   9.6291   48.383   12.942 41.91891 19.25818 
1 1 1    6   30   15 o   89.263   7.5624   80.899   13.447 -9.035583 15.12479 
1 1 1    6   30   16 o  174.559   4.4132  309.078   15.328 9.004517 8.826372 
1 1 1    6   30   17 o  215.293   3.9844  469.139   17.094 5.844498 7.968826 
1 1 1    6   30   18 o  206.215   4.1215  429.674   16.935 1.175766 8.243011 
1 1 1    6   30   19 f  160.746   4.8622  261.374   15.602 -6.990540 9.724335 
1 1 1    6   30   20 o  147.019   5.3068  221.351   15.520 14.57465 10.61364 
1 1 1    6   30   21 o   42.466   11.745   13.823   14.477 -2.173527 23.49034 
1 1 1    6   30   22 o  110.790   5.4823  140.142   8.7170 21.28057 10.96465 
1 1 1    6   30   23 f   79.291   7.4676   67.976   8.7019 7.420723 14.93517 
1 1 1    6   30   24 o  115.375   4.8404  138.593   9.3971 5.840469 9.680849 
1 1 1    6   31    0 o  264.953   4.7660  703.982   25.255      ?      ? 
1 1 1    6   31    1 o  321.154   5.1656  1034.71   33.179      ?      ? 
1 1 1    6   31    2 o  279.314   4.9557  782.250   27.684      ?      ? 
1 1 1    6   31    3 o  464.303   6.7212  2165.17   62.413      ?      ? 
1 1 1    6   31    4 o  333.563   5.2846  1115.46   35.255      ?      ? 
1 1 1    6   31    5 o  174.120   5.3379  304.047   18.589      ?      ? 
1 1 1    6   31    6 o   54.695   14.886   31.872   16.716      ?      ? 
1 1 1    6   31    7 f   22.155   10.949 -39.1259   17.857      ?      ? 
1 1 1    6   31    8 o  264.582   5.1841  705.502   27.432      ?      ? 
1 1 1    6   31    9 o  167.120   6.1080  282.205   20.416      ?      ? 
1 1 1    6   31   10 o   57.633   15.855   36.945   18.839      ?      ? 
1 1 1    6   31   11 o  217.639   5.4163  477.714   23.576      ?      ? 
1 1 1    6   31   12 o  136.919   7.0832  189.561   19.397      ?      ? 
1 1 1    6   31   13 o  163.569   6.3955  269.785   20.922      ?      ? 
1 1 1    6   31   14 o   57.169   9.5945   37.089   13.106 41.01593 19.18900 
1 1 1    6   31   15 o  182.092   4.1976  335.658   15.151 3.594986 8.395204 
1 1 1    6   31   16 o  184.938   4.1966  344.376   15.435 -6.194077 8.393262 
1 1 1    6   31   17 o  207.348   4.0080  433.978   16.595 -1.088852 8.015923 
1 1 1    6   31   18 o  146.975   5.0884  221.286   14.849 14.73033 10.17675 
1 1 1    6   31   19 o   43.189   11.740   14.936   14.389 -6.990814 23.48025 
1 1 1    6   31   20 o   54.813   11.852   33.149   14.641 -13.35726 23.70432 
1 1 1    6   31   21 o   84.262   8.9259   75.821   14.410 -17.41407 17.85179 
1 1 1    6   31   22 o  111.893   6.6676  127.816   14.693 2.782738 13.33521 
1 1 1    6   32    0 f  151.310   5.4780  230.863   16.578      ?      ? 
1 1 1    6   32    1 o  235.553   4.7479  558.339   22.368      ?      ? 
1 1 1    6   32    2 f  158.614   5.4211  253.650   17.197      ?      ? 
1 1 1    6   32    3 o  175.356   5.0929  309.758   17.862      ?      ? 
1 1 1    6   32    4 o   77.960   10.039   62.573   15.653      ?      ? 
1 1 1    6   32    5 o  255.592   4.8893  658.053   24.993      ?      ? 
1 1 1    6   32    6 o  233.816   5.0330  550.948   23.536      ?      ? 
1 1 1    6   32    7 o   59.462   14.993   38.978   17.837      ?      ? 
1 1 1    6   32    8 o   85.242   10.553   74.554   17.990      ?      ? 
1 1 1    6   32    9 o  176.513   5.7472  313.608   20.289      ?      ? 
1 1 1    6   32   10 o  121.448   7.8706  149.568   19.117      ?      ? 
1 1 1    6   32   11 o  149.161   6.7273  226.096   20.069      ?      ? 
1 1 1    6   32   12 o  222.362   5.4775  498.916   24.360      ?      ? 
1 1 1    6   32   13 o  136.235   7.5637  188.604   20.609      ?      ? 
1 1 1    6   32   14 o  115.874   8.8225  137.539   20.446      ?      ? 
1 1 1    6   32   15 o  186.247   4.1628  350.785   15.476 2.158234 8.325670 
1 1 1    6   32   16 o  167.083   4.5971  283.200   15.350 8.795319 9.194130 
1 1 1    6   32   17 o  109.438   6.7181  122.885   14.669 10.54094 13.43622 
1 1 1    6   32   18 o   57.274   11.690   36.865   14.402 -11.33018 23.37983 
1 1 1    6   32   19 o  108.397   7.0082  123.262   14.676 -32.33704 14.01648 
1 1 1    6   32   20 o   90.528   8.1055   87.593   14.172 -19.84717 16.21094 
1 1 1    6   32   21 o  106.963   6.5388  118.343   13.565 35.81153 13.07766 
1 1 1    6   33    0 o  124.112   6.4870  155.331   16.102      ?      ? 
1 1 1    6   33    1 o  144.114   5.8229  209.088   16.783      ?      ? 
1 1 1    6   33    2 o  142.013   5.9528  203.085   16.908      ?      ? 
1 1 1    6   33    3 o  105.823   7.8223  113.339   16.555      ?      ? 
1 1 1    6   33    4 f  146.386   6.0748  215.944   17.785      ?      ? 
1 1 1    6   33    5 o  128.242   6.8526  166.355   17.576      ?      ? 
1 1 1    6   33    6 o  160.301   5.8452  259.763   18.740      ?      ? 
1 1 1    6   33    7 o   89.530   9.6067   82.874   17.202      ?      ? 
1 1 1    6   33    8 o   38.043   15.190   9.3543   17.405      ?      ? 
1 1 1    6   33    9 o   90.219   10.109   83.658   18.241      ?      ? 
1 1 1    6   33   10 o  148.989   6.5932  224.886   19.646      ?      ? 
1 1 1    6   33   11 o  114.809   8.4924  134.768   19.500      ?      ? 
1 1 1    6   33   12 o  303.698   5.4367  930.638   33.023      ?      ? 
1 1 1    6   33   13 o  313.563   5.4894  993.107   34.426      ?      ? 
1 1 1    6   33   14 o  162.272   6.6413  267.430   21.554      ?      ? 
1 1 1    6   33   15 o  168.417   6.5643  287.415   22.111      ?      ? 
1 1 1    6   33   16 o  136.376   5.7976  188.878   15.758 10.20549 11.59520 
1 1 1    6   33   17 o  149.524   5.3005  228.361   15.713 -9.937714 10.60099 
1 1 1    6   33   18 o   53.411   11.008   31.476   12.917 -13.68517 22.01518 
1 1 1    6   33   19 o   96.135   6.5366   96.614   12.393 14.65573 13.07326 
1 1 1    6   34    0 o  148.669   5.6130  222.921   16.690      ?      ? 
1 1 1    6   34    1 o  248.776   4.7662  622.734   23.714      ?      ? 
1 1 1    6   34    2 o  218.925   4.8151  482.343   21.083      ?      ? 
1 1 1    6   34    3 o  109.620   7.4703  122.061   16.378      ?      ? 
1 1 1    6   34    4 o  104.753   7.9188  111.769   16.590      ?      ? 
1 1 1    6   34    5 o  155.992   5.8319  245.908   18.195      ?      ? 
1 1 1    6   34    6 o  134.589   6.6644  183.660   17.939      ?      ? 
1 1 1    6   34    7 o  210.158   5.2760  445.418   22.176      ?      ? 
1 1 1    6   34    8 o  164.487   6.0865  273.619   20.023      ?      ? 
1 1 1    6   34    9 o   99.307   9.4154  101.442   18.700      ?      ? 
1 1 1    6   34   10 o   79.434   11.685   66.119   18.564      ?      ? 
1 1 1    6   34   11 o   88.783   10.439   81.792   18.537      ?      ? 
1 1 1    6   34   12 o   94.480   9.9728   92.007   18.845      ?      ? 
1 1 1    6   34   13 o  171.641   6.2983  298.427   21.621      ?      ? 
1 1 1    6   34   14 o  107.522   9.3558  118.456   20.119      ?      ? 
1 1 1    6   34   15 o  123.924   7.9562  156.064   19.719      ?      ? 
1 1 1    6   34   16 f   84.162   10.546   73.328   17.751      ?      ? 
1 1 1    6   34   17 o   68.407   13.398   96.923   17.677      ?      ? 
1 1 1    6   35    0 o  217.995   4.8464  478.884   21.130      ?      ? 
1 1 1    6   35    1 o  154.912   5.6774  242.526   17.590      ?      ? 
1 1 1    6   35    2 o  217.255   4.9205  475.812   21.380      ?      ? 
1 1 1    6   35    3 o  116.576   7.3145  138.380   17.054      ?      ? 
1 1 1    6   35    4 o  146.974   6.2152  218.937   18.269      ?      ? 
1 1 1    6   35    5 o   87.914   10.073   80.084   17.711      ?      ? 
1 1 1    6   35    6 o  144.389   6.6142  211.654   19.100      ?      ? 
1 1 1    6   35    7 o   90.603   10.024   84.756   18.165      ?      ? 
1 1 1    6   35    8 o  112.776   8.4911  130.012   19.152      ?      ? 
1 1 1    6   35    9 o  145.009   6.8676  213.482   19.917      ?      ? 
1 1 1    6   35   10 o  117.289   8.2134  140.476   19.267      ?      ? 
1 1 1    6   35   11 o  141.818   6.9112  203.666   19.603      ?      ? 
1 1 1    6   35   12 o  165.707   6.0608  277.186   20.086      ?      ? 
1 1 1    6   35   13 o  106.242   8.4300  115.288   17.913      ?      ? 
1 1 1    6   35   14 o   47.214   15.192   26.541   16.266      ?      ? 
1 1 1    6   36    0 o  249.585   4.8709  627.763   24.314      ?      ? 
1 1 1    6   36    1 o  243.574   4.8709  597.891   23.728      ?      ? 
1 1 1    6   36    2 o  181.910   5.2177  333.860   18.983      ?      ? 
1 1 1    6   36    3 o  146.690   5.9683  217.651   17.510      ?      ? 
1 1 1    6   36    4 o  163.335   5.6249  269.387   18.375      ?      ? 
1 1 1    6   36    5 o  110.008   7.7313  123.084   17.010      ?      ? 
1 1 1    6   36    6 o  171.044   5.6556  295.024   19.347      ?      ? 
1 1 1    6   36    7 o  174.458   5.7498  306.913   20.062      ?      ? 
1 1 1    6   36    8 o  209.478   5.3199  442.078   22.288      ?      ? 
1 1 1    6   36    9 f  104.828   8.4150  112.173   17.642      ?      ? 
1 1 1    6   36   10 o   64.151   13.155   45.492   16.297      ?      ? 
1 1 1    6   36   11 o   45.269   16.856  119.190   20.410      ?      ? 
1 1 1    6   37    0 o   99.007   4.5569   98.690   9.0234      ?      ? 
1 1 1    6   37    1 o  124.463   5.9197  156.709   14.736      ?      ? 
1 1 1    6   37    2 f  130.629   5.6212  172.524   14.686      ?      ? 
1 1 1    6   37    3 f  150.122   5.0789  227.655   15.249      ?      ? 
1 1 1    6   37    4 o  170.484   4.8771  294.185   16.629      ?      ? 
1 1 1    6   37    5 o  184.245   4.9479  347.663   18.232      ?      ? 
1 1 1    7    0    3 o  166.363   3.9236  277.326   13.039 -0.000000 0.000000 
1 1 1    7    0    4 o  201.305   3.9423  405.847   15.859 -0.000000 0.000000 
1 1 1    7    0    5 o  540.946   7.5227  2931.76   81.352 -0.000000 0.000000 
1 1 1    7    0    6 f  395.564   5.6896  1566.84   44.991 -0.000000 0.000000 
1 1 1    7    0    7 o  483.796   4.8110  2344.17   46.526 -0.000000 0.000000 
1 1 1    7    0    8 o  428.942   4.3485  1842.51   37.288 -0.000000 0.000000 
1 1 1    7    0    9 o  436.219   4.4415  1904.25   38.716 -0.000000 0.000000 
1 1 1    7    0   10 o  360.640   3.8666  1302.17   27.873 -0.000000 0.000000 
1 1 1    7    0   12 o   52.543   9.7370   38.317   11.453 -0.000000 0.000000 
1 1 1    7    0   13 o  642.157   6.3509  4130.27   81.528 -0.000000 0.000000 
1 1 1    7    0   14 o  254.755   3.7584  649.960   19.123 -0.000000 0.000000 
1 1 1    7    0   15 o  312.921   3.9360  980.166   24.612 -0.000000 0.000000 
1 1 1    7    0   16 f  422.493   4.6030  1786.92   38.867 -0.000000 0.000000 
1 1 1    7    0   17 o  559.548   5.7311  3135.36   64.105 -0.000000 0.000000 
1 1 1    7    0   18 o  609.967   6.1879  3725.74   75.443 -0.000000 0.000000 
1 1 1    7    0   19 o  522.114   5.4812  2729.30   57.202 -0.000000 0.000000 
1 1 1    7    0   20 o  198.384   5.2899  395.834   20.903 -0.000000 0.000000 
1 1 1    7    0   22 o  476.855   5.1815  2277.84   49.386 -0.000000 0.000000 
1 1 1    7    0   23 f   45.258   15.927   27.870   19.251 -0.000000 0.000000 
1 1 1    7    0   24 o  224.424   4.9116  505.737   21.996 -0.000000 0.000000 
1 1 1    7    0   25 o   46.010   15.637   28.568   18.598 -0.000000 0.000000 
1 1 1    7    0   26 o   26.431   12.538  -8.0863   17.881 -0.000000 0.000000 
1 1 1    7    0   27 o  245.539   4.4755  604.763   21.935 -0.000000 0.000000 
1 1 1    7    0   28 o   22.541   11.113 -18.3008   16.959 -0.000000 0.000000 
1 1 1    7    0   29 o  169.621   5.4073  291.299   18.210 -0.000000 0.000000 
1 1 1    7    0   31 o   19.882   10.216 -47.4982   19.885 -0.000000 0.000000 
1 1 1    7    0   32 o   53.949   14.494   41.895   16.370 -0.000000 0.000000 
1 1 1    7    0   33 o   57.782   15.500   48.495   16.804 -0.000000 0.000000 
1 1 1    7    0   34 o   17.969   9.2460 -42.1148   16.620 -0.000000 0.000000 
1 1 1    7    0   35 o   19.746   10.006 -29.5003   16.747 -0.000000 0.000000 
1 1 1    7    0   36 o   21.955   10.975 -26.4968   17.777 -0.000000 0.000000 
1 1 1    7    0   37 o   44.502   15.703   31.507   17.966 -0.000000 0.000000 
1 1 1    7    0   38 o   87.264   11.741   86.720   18.101 -0.000000 0.000000 
1 1 1    7    0   39 o   35.836   14.175   8.2729   18.092 -0.000000 0.000000 
1 1 1    7    0   40 o   65.554   15.146   57.298   17.541 -0.000000 0.000000 
1 1 1    7    1    3 o  481.567   6.7350  2323.87   64.867      ?      ? 
1 1 1    7    1    4 o  529.718   5.2106  2811.84   55.185 -8.410095 10.42118 
1 1 1    7    1    5 f  314.444   3.3506  989.393   21.066 5.227142 6.701163 
1 1 1    7    1    6 o  110.835   3.8083  123.011   8.4416 0.7318268 7.616641 
1 1 1    7    1    7 o  130.521   2.4616  170.426   6.4254 1.911011 4.923242 
1 1 1    7    1    8 o  106.196   3.1325  112.773   6.6430 -8.166260 6.264966 
1 1 1    7    1    9 o  399.047   2.9161  1593.38   23.273 2.000916 5.832297 
1 1 1    7    1   10 o  157.041   3.7124  246.735   11.660      ?      ? 
1 1 1    7    1   11 o  290.065   3.4874  841.688   20.231      ?      ? 
1 1 1    7    1   12 o  553.289   3.8974  3063.76   43.127 1.773865 7.794776 
1 1 1    7    1   13 o  502.576   3.6145  2527.51   36.331 -1.172180 7.228930 
1 1 1    7    1   14 o  480.891   3.5077  2312.92   33.726 -7.436462 7.015402 
1 1 1    7    1   15 o  701.152   4.8920  4921.34   68.599 -1.835938 9.783919 
1 1 1    7    1   16 o  613.137   4.3425  3759.89   53.218 -13.01837 8.685003 
1 1 1    7    1   18 o  661.646   6.6457  4382.69   87.942      ?      ? 
1 1 1    7    1   19 o  519.165   5.4618  2697.26   56.711      ?      ? 
1 1 1    7    1   20 o  412.604   3.3600  1702.82   27.719 -9.933746 6.719963 
1 1 1    7    1   21 o  273.523   4.5778  748.669   25.043      ?      ? 
1 1 1    7    1   22 o  174.133   5.7802  303.648   20.131      ?      ? 
1 1 1    7    1   23 o  140.423   4.9365  198.027   13.816 -14.13177 9.872955 
1 1 1    7    1   24 o  126.023   5.3773  159.421   13.537 -7.872925 10.75465 
1 1 1    7    1   25 o  230.964   3.3647  534.275   15.539 -2.075485 6.729366 
1 1 1    7    1   26 o  186.728   3.7773  349.457   14.104 4.808151 7.554698 
1 1 1    7    1   27 f  265.523   3.0826  706.289   16.370 -1.624023 6.165284 
1 1 1    7    1   28 o   72.852   8.2104   53.909   11.959 -2.644363 16.42070 
1 1 1    7    1   29 o  130.590   4.6738  171.841   12.192 -5.012589 9.347530 
1 1 1    7    1   30 o   51.240   16.589   27.294   19.372      ?      ? 
1 1 1    7    1   31 o   51.620   11.560   26.671   13.538 9.453800 23.11933 
1 1 1    7    1   32 o   75.004   7.6083   57.580   11.412 1.565224 15.21657 
1 1 1    7    1   33 o   26.796   12.519 -13.3125   16.541      ?      ? 
1 1 1    7    1   34 o   89.802   6.6784   82.420   11.863 -17.40237 13.35679 
1 1 1    7    1   35 o   62.127   9.8037   42.260   11.888 -4.815510 19.60747 
1 1 1    7    1   36 o   21.366   7.5036 -42.6315   12.560 -1.553373 15.00722 
1 1 1    7    1   37 o   46.546   11.184   21.885   12.715 -9.674385 22.36749 
1 1 1    7    1   38 f   28.608   9.3514 -12.3612   12.624 -0.9087620 18.70273 
1 1 1    7    1   39 o   38.729   10.866   9.8361   12.694 4.869686 21.73260 
1 1 1    7    1   40 o   44.141   10.703   17.034   11.725 -17.94044 21.40515 
1 1 1    7    2    3 o  213.101   3.8883  454.435   16.572      ?      ? 
1 1 1    7    2    4 o  177.051   2.7675  313.759   9.7972 4.466904 5.534997 
1 1 1    7    2    5 o  167.251   2.8611  279.998   9.5641 0.9552765 5.722209 
1 1 1    7    2    6 o   59.983   6.6069   36.067   7.9197 -2.500530 13.21376 
1 1 1    7    2    7 o  184.076   2.1162  339.010   7.7891 4.876434 4.232472 
1 1 1    7    2    8 o  291.166   2.3370  847.849   13.605 -4.370026 4.673965 
1 1 1    7    2    9 o  282.622   2.3570  799.095   13.323 0.5960693 4.714081 
1 1 1    7    2   10 o  416.102   4.2796  1732.47   35.615      ?      ? 
1 1 1    7    2   11 f  161.244   2.6837  259.975   8.6514 -6.033646 5.367329 
1 1 1    7    2   12 o  301.721   2.5481  910.649   15.376 0.8453064 5.096173 
1 1 1    7    2   13 o  552.705   3.9136  3056.53   43.254 -6.260010 7.827223 
1 1 1    7    2   14 o  261.780   2.6472  685.492   13.859 4.024963 5.294391 
1 1 1    7    2   15 o  287.030   3.9319  824.153   22.572      ?      ? 
1 1 1    7    2   16 o  781.297   5.4295  6110.81   84.815 -11.44360 10.85891 
1 1 1    7    2   17 o  288.649   4.2843  833.555   24.733      ?      ? 
1 1 1    7    2   18 f  355.229   4.4923  1262.53   31.916      ?      ? 
1 1 1    7    2   19 o  413.506   4.7285  1710.81   39.105      ?      ? 
1 1 1    7    2   21 o  264.767   3.2784  701.568   17.356 -7.208984 6.556749 
1 1 1    7    2   22 o  307.436   3.1468  945.949   19.349 -1.654877 6.293627 
1 1 1    7    2   23 o  147.807   4.6741  218.929   13.817 0.9883270 9.348291 
1 1 1    7    2   24 o   94.102   7.0305   89.128   13.223 3.205864 14.06105 
1 1 1    7    2   25 o  188.171   5.4332  354.723   20.447      ?      ? 
1 1 1    7    2   26 o  212.844   3.4621  453.995   14.738 1.642578 6.924269 
1 1 1    7    2   27 o  161.535   4.0209  261.745   12.989 -3.465683 8.041786 
1 1 1    7    2   28 o  138.529   4.4705  192.984   12.367 9.389084 8.940989 
1 1 1    7    2   29 o   30.811   9.6310  -4.6011   11.684 0.3137779E-01 19.26201 
1 1 1    7    2   31 o   22.822   7.9838 -44.9703   13.402 5.886196 15.96767 
1 1 1    7    2   32 o   39.429   9.8998   9.9607   11.251 -20.41473 19.79969 
1 1 1    7    2   33 o  104.087   8.2256  110.854   17.124      ?      ? 
1 1 1    7    2   34 o   39.136   15.065   11.680   16.681      ?      ? 
1 1 1    7    2   35 o   25.465   8.5137 -22.3188   11.848 -8.568733 17.02747 
1 1 1    7    2   36 o   28.272   9.2385 -13.4590   12.478 -4.784567 18.47701 
1 1 1    7    2   37 o   76.711   8.5881   62.390   12.791 12.12820 17.17617 
1 1 1    7    2   38 o   37.990   10.834   8.9228   12.686 2.099274 21.66872 
1 1 1    7    2   39 o   37.154   10.645   7.1714   12.519 5.663433 21.28946 
1 1 1    7    2   40 o   87.220   6.7955   78.374   11.819 -4.043655 13.59109 
1 1 1    7    3    3 f  309.183   4.6690  956.907   28.872      ?      ? 
1 1 1    7    3    4 f  180.988   2.7651  326.615   9.9718 -7.165558 5.530199 
1 1 1    7    3    5 o   83.880   4.6488   69.979   7.7611 -6.064178 9.297647 
1 1 1    7    3    6 o  134.279   3.2875  180.736   8.7991 2.464630 6.574994 
1 1 1    7    3    7 o  399.396   3.5291  1599.53   26.601 2.159393 7.058208 
1 1 1    7    3    8 o  412.594   2.9729  1703.15   24.528 -4.897156 5.945857 
1 1 1    7    3    9 o  193.137   2.3045  373.160   8.9010 2.850845 4.608957 
1 1 1    7    3   10 o  233.638   2.3032  546.061   10.762 0.5738831 4.606349 
1 1 1    7    3   11 o  267.001   2.4087  713.049   12.861 -1.636353 4.817438 
1 1 1    7    3   12 o  410.975   3.0520  1689.48   25.083 -4.845337 6.104090 
1 1 1    7    3   13 o  333.727   2.7369  1114.03   18.266 -2.667175 5.473830 
1 1 1    7    3   14 o  283.968   2.6540  806.621   15.073 3.345642 5.308025 
1 1 1    7    3   15 o  194.655   3.0059  379.074   11.702 1.458923 6.011765 
1 1 1    7    3   16 f  191.358   3.2246  365.987   12.333 -5.306778 6.449151 
1 1 1    7    3   18 o   32.275   14.300  -6.5012   18.363      ?      ? 
1 1 1    7    3   19 o  357.184   4.4208  1276.45   31.581      ?      ? 
1 1 1    7    3   20 o  298.969   3.1384  894.304   18.763 7.403137 6.276786 
1 1 1    7    3   21 o  485.150   3.7028  2355.75   35.926 4.208496 7.405596 
1 1 1    7    3   22 o  102.082   6.5599  104.899   13.344 9.449928 13.11975 
1 1 1    7    3   23 o  200.791   3.6235  403.724   14.551 1.793381 7.246921 
1 1 1    7    3   24 f  179.958   3.9274  324.346   14.132 -2.412582 7.854704 
1 1 1    7    3   25 o  293.763   4.4057  864.006   25.885      ?      ? 
1 1 1    7    3   26 o   67.261   9.6918   47.850   12.586 -6.887882 19.38364 
1 1 1    7    3   27 o  137.854   4.5741  190.816   12.611 -0.1368713E-01 9.148120 
1 1 1    7    3   28 f  357.967   3.0959  1284.38   22.164 -4.314667 6.191836 
1 1 1    7    3   29 f   67.175   8.9301   47.990   11.535 28.41730 17.86029 
1 1 1    7    3   30 o   84.231   8.5483   74.995   13.490 -28.29751 17.09650 
1 1 1    7    3   31 o   27.008   9.0373 -23.8538   13.262 7.076012 18.07457 
1 1 1    7    3   32 o   37.256   10.286   8.3940   11.408 8.376934 20.57146 
1 1 1    7    3   33 o  101.238   8.9807  104.332   18.184      ?      ? 
1 1 1    7    3   34 o   33.458   10.104   1.1634   11.996 2.058792 20.20880 
1 1 1    7    3   35 o   50.180   10.978   27.048   12.169 -3.848373 21.95698 
1 1 1    7    3   36 o   23.625   8.1414 -29.8737   12.497 -0.2849331 16.28279 
1 1 1    7    3   37 o  103.237   6.2711  109.451   12.907 -4.007874 12.54210 
1 1 1    7    3   38 o   32.328   9.8162  -6.2544   12.716 -14.24419 19.63240 
1 1 1    7    3   39 o   73.946   8.7939   57.893   12.714 6.160881 17.58785 
1 1 1    7    3   40 o   35.979   10.340   7.3834   11.762 -5.442986 20.67991 
1 1 1    7    4    3 o  401.954   5.7403  1618.14   46.147      ?      ? 
1 1 1    7    4    4 o  155.992   2.8695  243.787   8.8969 1.590622 5.738936 
1 1 1    7    4    5 o  387.930   3.9350  1506.56   30.518 -3.894135 7.869938 
1 1 1    7    4    6 o  145.460   3.2020  211.796   9.2497 0.1442566 6.403904 
1 1 1    7    4    7 o  360.615   3.2750  1310.24   22.365 7.679840 6.550085 
1 1 1    7    4    8 o  339.869   2.5786  1155.63   17.526 -1.537689 5.157143 
1 1 1    7    4    9 f  170.631   2.4354  291.267   8.3110 -0.3421021E-01 4.870846 
1 1 1    7    4   10 o  120.193   3.2342  144.682   7.7614 -8.434319 6.468334 
1 1 1    7    4   11 o  190.335   2.4997  362.321   9.5141 2.199158 4.999426 
1 1 1    7    4   12 o  321.668   2.6332  1035.04   16.939 1.283966 5.266377 
1 1 1    7    4   13 o  166.193   3.0504  276.205   10.137 -4.410187 6.100897 
1 1 1    7    4   14 o  694.031   4.8332  4821.41   67.085 4.489380 9.666473 
1 1 1    7    4   15 o  200.396   2.9635  401.756   11.877 0.1880493 5.927093 
1 1 1    7    4   16 o  467.153   3.4705  2182.59   32.412 -7.401733 6.940948 
1 1 1    7    4   18 o   75.331   9.0537   59.137   13.027 19.74400 18.10732 
1 1 1    7    4   19 o  257.304   3.1950  662.494   16.439 5.448181 6.389925 
1 1 1    7    4   20 o  171.025   5.8039  292.810   19.852      ?      ? 
1 1 1    7    4   21 o  255.167   3.2651  651.664   16.661 -5.055237 6.530227 
1 1 1    7    4   22 o  122.974   5.3782  151.578   13.226 2.262672 10.75644 
1 1 1    7    4   23 o  313.699   3.0779  985.010   19.310 1.623444 6.155845 
1 1 1    7    4   24 o  150.909   4.4468  228.307   13.417 -4.991241 8.893611 
1 1 1    7    4   25 o  332.836   3.0979  1108.27   20.613 9.471344 6.195756 
1 1 1    7    4   26 o  161.575   4.0190  261.889   12.983 -5.641388 8.037928 
1 1 1    7    4   27 o  192.807   3.4341  372.621   13.238 -6.832092 6.868212 
1 1 1    7    4   28 o  165.399   3.7564  274.575   12.426 1.525879 7.512845 
1 1 1    7    4   29 o   32.359   9.7914  -0.2899   11.318 3.319733 19.58287 
1 1 1    7    4   31 o   54.924   10.787   32.927   12.378 9.374107 21.57435 
1 1 1    7    4   32 o   47.668   10.725   23.503   11.535 4.379208 21.45050 
1 1 1    7    4   33 o   29.531   9.1358 -21.0181   12.291 19.80776 18.27167 
1 1 1    7    4   34 o   25.712   8.6018 -19.5474   11.925 -4.291262 17.20367 
1 1 1    7    4   35 f   87.465   7.0278   78.731   12.226 -9.141205 14.05570 
1 1 1    7    4   36 o   56.288   10.801   35.282   12.609 11.06028 21.60229 
1 1 1    7    4   37 o   38.044   10.650   7.2293   12.586 12.42150 21.29942 
1 1 1    7    4   38 o   97.564   6.6571   98.905   12.872 -10.15978 13.31418 
1 1 1    7    4   39 o   40.602   11.030   12.893   12.635 -2.947361 22.05907 
1 1 1    7    4   40 o   33.824   10.061   5.5541   11.634 -3.684002 20.12252 
1 1 1    7    5    2 o  458.685   6.4760  2107.98   59.409      ?      ? 
1 1 1    7    5    3 o  418.645   5.9510  1755.46   49.827      ?      ? 
1 1 1    7    5    4 o  172.974   2.8145  299.267   9.6695 -0.6875305 5.629008 
1 1 1    7    5    5 o  308.566   3.3130  952.309   20.417 -4.204193 6.626083 
1 1 1    7    5    6 o  319.806   3.4398  1023.34   21.975 -2.618103 6.879530 
1 1 1    7    5    7 o  324.770   3.0901  1063.07   18.848 6.918793 6.180139 
1 1 1    7    5    8 o  698.260   4.8268  4883.79   67.407 0.2717896 9.653610 
1 1 1    7    5    9 o  213.945   2.3167  457.475   9.9084 8.534790 4.633492 
1 1 1    7    5   10 o  391.368   2.9074  1532.29   22.756 -3.251251 5.814757 
1 1 1    7    5   11 o  372.985   2.8334  1391.77   21.136 0.7389221 5.666707 
1 1 1    7    5   12 o  517.169   3.6848  2676.35   38.112 2.820313 7.369599 
1 1 1    7    5   13 o  664.087   4.6328  4414.41   61.531 1.660034 9.265575 
1 1 1    7    5   14 o  241.083   2.6578  581.391   12.815 1.023193 5.315563 
1 1 1    7    5   15 f  218.101   2.7882  475.908   12.160 -5.550125 5.576399 
1 1 1    7    5   16 o  402.335   3.1554  1619.46   25.388 1.133270 6.310742 
1 1 1    7    5   18 o  615.876   4.4025  3796.52   54.227 -1.466980 8.804905 
1 1 1    7    5   19 o  345.614   3.1175  1195.32   21.548 -1.888794 6.235004 
1 1 1    7    5   20 o  395.446   3.2751  1564.89   25.901 -4.734619 6.550234 
1 1 1    7    5   21 o  259.759   3.2095  675.249   16.672 1.398041 6.418911 
1 1 1    7    5   22 o   80.651   8.6007   68.373   12.998 -26.85901 17.20139 
1 1 1    7    5   23 o  179.760   3.8335  323.766   13.778 -4.453140 7.667048 
1 1 1    7    5   24 o  151.193   4.3531  228.972   13.156 -7.016937 8.706195 
1 1 1    7    5   25 o  264.370   3.1100  699.353   16.435 -12.36533 6.219966 
1 1 1    7    5   26 f   85.764   7.2092   74.975   12.212 -15.26756 14.41836 
1 1 1    7    5   27 o   54.053   10.330   30.906   11.708 -14.05151 20.65912 
1 1 1    7    5   28 o  153.351   3.9827  236.229   12.213 3.015640 7.965315 
1 1 1    7    5   29 o   53.671   10.322   30.768   11.391 -3.704552 20.64476 
1 1 1    7    5   30 o  254.007   4.5975  646.102   23.356      ?      ? 
1 1 1    7    5   31 o   82.881   7.2268   70.843   11.914 -5.909111 14.45366 
1 1 1    7    5   32 o   75.227   7.7111   57.991   11.601 -0.1439819 15.42210 
1 1 1    7    5   33 o  173.671   5.4206  302.463   18.828      ?      ? 
1 1 1    7    5   34 o   24.438   8.3282 -24.6654   12.072 -2.167454 16.65639 
1 1 1    7    5   35 o  114.982   7.6791  133.882   17.659      ?      ? 
1 1 1    7    5   36 o   34.930   10.231  -0.0764   12.668 14.33522 20.46286 
1 1 1    7    5   37 o   54.568   10.931   32.172   12.812 16.05099 21.86253 
1 1 1    7    5   38 o   94.415   6.9132   91.916   13.043 -0.7178421 13.82647 
1 1 1    7    5   39 o   94.614   6.7631   91.626   12.791 -0.4780579E-01 13.52612 
1 1 1    7    6    2 o  155.814   4.3772  242.988   13.641      ?      ? 
1 1 1    7    6    3 o  127.398   5.0785  162.484   12.940      ?      ? 
1 1 1    7    6    4 f  287.103   3.1666  821.335   18.093 -12.07413 6.333291 
1 1 1    7    6    5 o  165.286   3.0301  274.437   9.9105 4.583221 6.060271 
1 1 1    7    6    6 o  298.476   3.3465  890.729   19.919 -3.919556 6.693054 
1 1 1    7    6    7 o  460.179   4.0287  2116.24   34.720 -2.210236 8.057379 
1 1 1    7    6    8 o  327.283   3.2066  1050.50   19.112 -15.45380 6.413126 
1 1 1    7    6    9 o  210.339   2.3355  442.391   9.8226 3.627518 4.671085 
1 1 1    7    6   10 o  335.076   2.6273  1123.15   17.606 1.763641 5.254529 
1 1 1    7    6   11 o  243.797   2.4196  593.778   11.790 10.53011 4.839226 
1 1 1    7    6   12 o  238.229   2.4832  567.134   11.825 9.810852 4.966361 
1 1 1    7    6   13 o   50.369   8.8935   26.503   8.9569 -4.847866 17.78709 
1 1 1    7    6   14 o  245.792   2.6203  604.312   12.879 0.4533081 5.240517 
1 1 1    7    6   15 f  228.152   2.7601  520.578   12.591 -7.348190 5.520159 
1 1 1    7    6   18 o  524.106   3.8517  2746.26   40.341 11.96765 7.703316 
1 1 1    7    6   19 o  221.157   3.3505  489.723   14.812 -5.383423 6.700901 
1 1 1    7    6   20 o  567.226   4.1238  3221.08   46.782 -2.926514 8.247588 
1 1 1    7    6   21 f  251.889   3.1787  634.929   16.010 1.522980 6.357451 
1 1 1    7    6   22 o  196.204   3.6476  385.636   14.306 -3.677063 7.295110 
1 1 1    7    6   23 f  111.159   5.7800  124.119   12.833 -1.543152 11.56009 
1 1 1    7    6   24 o   77.374   8.1420   60.348   12.597 0.2628021 16.28400 
1 1 1    7    6   25 o   36.618   10.494   4.4664   12.327 -8.063545 20.98873 
1 1 1    7    6   26 o  108.523   5.5282  118.499   11.980 7.932037 11.05634 
1 1 1    7    6   27 o  190.189   3.3909  362.676   12.895 -0.1661682 6.781723 
1 1 1    7    6   28 o   30.683   9.5563  -3.9238   11.389 0.5142212 19.11260 
1 1 1    7    6   29 o   65.593   8.9452   45.435   11.452 -11.79291 17.89043 
1 1 1    7    6   31 o  160.910   3.8354  260.001   12.318 3.784943 7.670807 
1 1 1    7    6   32 o   49.792   10.565   26.454   11.467 8.378544 21.13063 
1 1 1    7    6   34 o   28.453   9.2185 -13.3923   12.242 -7.921667 18.43704 
1 1 1    7    6   35 o  104.571   6.0727  111.487   12.635 -9.156044 12.14541 
1 1 1    7    6   36 o   40.236   10.903   11.618   12.755 -9.500195 21.80503 
1 1 1    7    6   37 o   98.006   6.7782  100.645   13.017 -15.57785 13.55637 
1 1 1    7    6   38 o   59.510   10.767   39.408   12.878 -2.809624 21.53443 
1 1 1    7    6   39 o   81.851   7.6720   69.140   12.528 -3.102402 15.34395 
1 1 1    7    7    2 f  445.474   6.3217  1987.79   56.323      ?      ? 
1 1 1    7    7    3 f  266.358   4.4377  710.037   23.640      ?      ? 
1 1 1    7    7    4 o  231.910   2.9375  537.976   13.550 -0.8502960 5.874951 
1 1 1    7    7    5 o  230.042   2.9909  528.966   13.675 -2.222092 5.981861 
1 1 1    7    7    6 o  286.143   3.2905  811.716   18.645 -18.08554 6.581036 
1 1 1    7    7    7 o  429.821   6.2631  1849.83   53.840      ?      ? 
1 1 1    7    7    8 o  376.038   3.4822  1418.55   24.555 2.764404 6.964388 
1 1 1    7    7    9 o  522.067   3.6852  2727.00   38.472 5.984070 7.370381 
1 1 1    7    7   10 o  426.785   3.1181  1822.38   26.615 0.8616943 6.236180 
1 1 1    7    7   11 o  436.161   3.1892  1903.03   27.817 4.757416 6.378364 
1 1 1    7    7   12 o  259.323   2.5325  672.368   13.131 5.987274 5.064944 
1 1 1    7    7   13 o  376.137   2.9125  1415.06   21.906 3.731323 5.824972 
1 1 1    7    7   14 o  160.477   3.2279  257.584   10.357 -5.761841 6.455815 
1 1 1    7    7   15 o  599.948   4.2470  3601.54   50.948 -7.371460 8.494062 
1 1 1    7    7   17 o  287.064   4.2388  824.418   24.336      ?      ? 
1 1 1    7    7   19 o  227.454   3.2401  516.738   14.714 -18.89432 6.480145 
1 1 1    7    7   20 o  309.240   3.0686  956.945   18.978 -3.629883 6.137270 
1 1 1    7    7   21 o   93.349   6.8340   87.480   12.732 8.142357 13.66799 
1 1 1    7    7   22 o  307.581   3.0627  946.619   18.833 -12.30447 6.125355 
1 1 1    7    7   23 o  119.419   5.3890  143.927   12.797 -10.86946 10.77809 
1 1 1    7    7   24 o  262.915   4.3247  692.047   22.741      ?      ? 
1 1 1    7    7   25 o   34.616   10.035   0.0672   12.088 -12.92491 20.06947 
1 1 1    7    7   26 f  282.734   2.9542  800.810   16.702 -1.766632 5.908309 
1 1 1    7    7   27 o  137.069   4.3533  188.273   11.914 5.621521 8.706511 
1 1 1    7    7   28 o  103.478   5.5097  108.280   11.342 -2.670944 11.01945 
1 1 1    7    7   30 o  122.290   7.5914  150.347   18.567      ?      ? 
1 1 1    7    7   31 f   33.150   9.8153   2.2325   10.993 4.804817 19.63057 
1 1 1    7    7   32 o   88.972   6.6943   82.935   11.732 18.95367 13.38866 
1 1 1    7    7   33 o  114.680   5.3129  132.595   12.180 4.699142 10.62576 
1 1 1    7    7   34 o  144.567   4.3245  212.066   12.459 -7.105011 8.649047 
1 1 1    7    7   35 o   54.789   10.699   32.232   12.298 12.60493 21.39801 
1 1 1    7    7   36 o   68.815   9.6031   51.122   12.737 8.838181 19.20613 
1 1 1    7    7   37 o   94.950   6.6224   91.776   12.508 10.50655 13.24482 
1 1 1    7    7   38 o   36.226   10.431   3.9715   12.374 12.54596 20.86126 
1 1 1    7    7   39 o  117.404   5.2993  140.251   12.412 -5.641197 10.59854 
1 1 1    7    8    2 o  537.308   7.5151  2893.24   80.759      ?      ? 
1 1 1    7    8    3 o  556.003   7.7648  3098.34   86.345      ?      ? 
1 1 1    7    8    4 o  446.387   4.4842  1995.37   40.032 5.866394 8.968378 
1 1 1    7    8    5 o  664.697   6.5096  4430.52   86.531 -4.221680 13.01927 
1 1 1    7    8    6 o  200.912   3.1595  404.324   12.580 1.562195 6.319016 
1 1 1    7    8    7 o  239.745   2.8898  588.094   12.774 14.55893 5.779693 
1 1 1    7    8    8 o  393.069   3.6090  1540.11   26.376 -4.044250 7.217954 
1 1 1    7    8    9 o  454.779   3.2704  2069.21   29.744 3.726044 6.540822 
1 1 1    7    8   10 o  445.091   3.2316  1980.90   28.755 8.951843 6.463264 
1 1 1    7    8   11 o  376.620   2.8808  1418.71   21.696 -3.511536 5.761605 
1 1 1    7    8   12 o  251.889   2.5448  634.453   12.818 -5.084198 5.089689 
1 1 1    7    8   13 o  418.856   3.1356  1755.13   26.266 3.124939 6.271133 
1 1 1    7    8   14 o  346.855   2.8458  1203.60   19.739 0.5695190 5.691531 
1 1 1    7    8   15 f  347.027   2.9113  1203.67   20.186 -6.746643 5.822577 
1 1 1    7    8   18 o   86.611   6.9934   75.732   12.029 10.63020 13.98674 
1 1 1    7    8   19 o  359.077   3.0866  1289.12   22.156 -9.153656 6.173132 
1 1 1    7    8   20 o  211.912   3.3877  449.353   14.349 -10.49739 6.775406 
1 1 1    7    8   21 o  192.036   3.6227  369.285   13.912 -2.977081 7.245389 
1 1 1    7    8   22 o  165.474   4.0270  274.305   13.324 0.1295929 8.054075 
1 1 1    7    8   23 o   28.537   9.2538 -15.1950   12.300 7.918783 18.50764 
1 1 1    7    8   24 f  177.522   3.7798  314.809   13.396 14.36887 7.559502 
1 1 1    7    8   25 o  146.158   4.2327  214.486   12.351 -1.084686 8.465430 
1 1 1    7    8   26 o   20.938   7.3331 -37.8143   11.496 1.141655 14.66615 
1 1 1    7    8   27 o  131.421   4.4589  174.396   11.662 -7.610146 8.917826 
1 1 1    7    8   28 o   94.912   5.8980   90.190   11.139 12.78365 11.79598 
1 1 1    7    8   29 o   91.624   8.8033   84.632   16.132      ?      ? 
1 1 1    7    8   30 o   29.115   9.2847  -8.7477   11.422 7.895056 18.56945 
1 1 1    7    8   31 o   94.190   6.0349   89.624   11.269 3.312149 12.06978 
1 1 1    7    8   32 o  114.326   5.2793  132.434   12.020 -2.233299 10.55857 
1 1 1    7    8   33 o   26.184   8.6146 -17.1930   11.483 -7.864763 17.22917 
1 1 1    7    8   34 o   24.598   8.3321 -22.6262   11.675 4.581989 16.66416 
1 1 1    7    8   36 o  102.859   6.2472  107.440   12.794 10.26126 12.49440 
1 1 1    7    8   37 f   33.090   9.9839  -0.3272   12.207 -8.051390 19.96781 
1 1 1    7    8   38 o   69.775   12.667   52.552   17.025      ?      ? 
1 1 1    7    8   39 o   27.266   8.9436 -13.7140   11.773 4.971306 17.88715 
1 1 1    7    9    1 o  767.683   10.600  5916.20  162.747      ?      ? 
1 1 1    7    9    2 o  479.755   6.7845  2305.24   65.098      ?      ? 
1 1 1    7    9    3 f  181.269   4.5640  328.810   16.546      ?      ? 
1 1 1    7    9    4 o  384.395   3.9633  1479.22   30.466 4.188538 7.926569 
1 1 1    7    9    5 o  300.141   3.3875  894.770   20.174 -16.82080 6.775040 
1 1 1    7    9    6 o  430.504   4.3830  1851.60   37.659 -12.69028 8.766084 
1 1 1    7    9    7 o  258.650   2.9411  669.557   13.869 0.2791748 5.882229 
1 1 1    7    9    8 o  110.666   4.7830  126.135   9.2067 6.630775 9.566087 
1 1 1    7    9    9 o  436.976   3.9326  1909.30   32.151 -0.9600830 7.865116 
1 1 1    7    9   10 o  172.827   2.6689  298.239   9.2167 8.193054 5.337842 
1 1 1    7    9   11 o  158.959   2.9611  252.837   9.4095 -5.968369 5.922253 
1 1 1    7    9   12 o  312.972   2.6667  979.741   16.690 2.296417 5.333344 
1 1 1    7    9   13 f  126.729   5.5217  160.723   13.995      ?      ? 
1 1 1    7    9   14 o  238.336   2.7619  568.023   13.145 -1.701355 5.523741 
1 1 1    7    9   17 o  221.100   3.1306  489.214   13.842 2.894501 6.261150 
1 1 1    7    9   18 o  191.282   4.9599  366.175   18.975      ?      ? 
1 1 1    7    9   19 o  295.567   3.0303  874.160   17.913 1.800629 6.060578 
1 1 1    7    9   21 o  171.318   3.8360  293.883   13.142 3.261032 7.672014 
1 1 1    7    9   22 o   50.874   11.005   26.327   12.270 -3.849121 22.01048 
1 1 1    7    9   23 o  206.473   3.3739  426.767   13.922 1.623306 6.747843 
1 1 1    7    9   24 o  253.824   3.0767  644.958   15.613 4.411499 6.153497 
1 1 1    7    9   25 o  163.447   3.7874  267.774   12.377 2.775208 7.574771 
1 1 1    7    9   26 o  148.002   3.9989  219.866   11.836 -2.041016 7.997732 
1 1 1    7    9   27 o   77.466   7.1160   60.980   10.955 11.27440 14.23201 
1 1 1    7    9   28 o   28.978   9.1851  -6.8570   11.047 3.816362 18.37027 
1 1 1    7    9   30 o   77.475   7.4217   62.267   11.298 -7.107979 14.84335 
1 1 1    7    9   31 o  166.698   3.7157  277.399   12.312 10.84625 7.431464 
1 1 1    7    9   32 o  111.492   5.4168  126.418   11.929 -17.25575 10.83353 
1 1 1    7    9   33 o   29.698   9.3458  -4.6855   11.205 -1.150530 18.69160 
1 1 1    7    9   34 o  126.246   4.7762  158.564   11.966 16.19083 9.552336 
1 1 1    7    9   35 o  113.949   5.5696  132.828   12.497 -2.302147 11.13925 
1 1 1    7    9   36 o   29.381   9.5000 -10.6506   12.291 6.593628 18.99992 
1 1 1    7    9   37 o   93.055   7.1040   94.615   12.398 -23.09611 14.20797 
1 1 1    7    9   38 o   61.539   10.355   40.423   12.455 11.83403 20.70963 
1 1 1    7    9   39 o   58.947   12.208   42.637   16.217 -21.83846 24.41606 
1 1 1    7   10    0 o  648.278   8.9600  4212.82  116.171      ?      ? 
1 1 1    7   10    1 o  857.648   11.815  7386.45  202.656      ?      ? 
1 1 1    7   10    2 o  357.221   5.3420  1277.15   38.165      ?      ? 
1 1 1    7   10    3 o  282.270   4.7020  797.274   26.545      ?      ? 
1 1 1    7   10    4 o  206.964   3.0324  426.179   12.368 -6.508224 6.064839 
1 1 1    7   10    5 o  189.145   3.2485  361.717   12.056 11.34686 6.496975 
1 1 1    7   10    6 o  551.011   5.4644  3040.73   60.211 -2.103027 10.92889 
1 1 1    7   10    7 o  461.342   4.0950  2126.57   35.290 -2.062958 8.190022 
1 1 1    7   10    8 o  480.988   4.2500  2310.87   38.216 -2.577118 8.499924 
1 1 1    7   10    9 o  347.515   3.4092  1214.40   22.093 4.955963 6.818469 
1 1 1    7   10   10 o  496.998   3.5526  2471.18   35.309 -3.737183 7.105136 
1 1 1    7   10   11 o  308.299   2.6243  949.557   16.171 11.29956 5.248687 
1 1 1    7   10   12 o  355.695   2.8177  1265.55   20.042 -1.958374 5.635404 
1 1 1    7   10   13 o  398.040   3.0592  1584.56   24.345 -4.646240 6.118388 
1 1 1    7   10   15 o  211.576   4.2856  447.845   18.134      ?      ? 
1 1 1    7   10   16 o   92.216   8.6638   85.213   15.979      ?      ? 
1 1 1    7   10   17 o   76.067   10.862   58.092   16.525      ?      ? 
1 1 1    7   10   18 o  290.402   4.2664  843.850   24.779      ?      ? 
1 1 1    7   10   19 f  247.632   3.1312  613.472   15.505 5.448669 6.262355 
1 1 1    7   10   20 o  249.829   3.0762  624.638   15.370 4.134979 6.152477 
1 1 1    7   10   21 o  218.730   3.2221  479.001   14.095 1.367813 6.444242 
1 1 1    7   10   22 o   80.980   7.4853   66.422   12.014 12.53433 14.97055 
1 1 1    7   10   23 o  208.230   3.3135  434.255   13.794 -0.3603973 6.626928 
1 1 1    7   10   24 o  162.771   3.8825  266.046   12.624 -7.572784 7.764981 
1 1 1    7   10   25 o  270.689   2.9168  733.942   15.791 1.835663 5.833655 
1 1 1    7   10   26 o   71.632   8.1566   54.162   11.010 -24.88703 16.31320 
1 1 1    7   10   27 o   41.512   10.325   15.748   10.710 -4.279449 20.64996 
1 1 1    7   10   28 o   21.236   10.459 -32.8995   15.759      ?      ? 
1 1 1    7   10   29 o   25.265   11.905 -17.6464   15.783      ?      ? 
1 1 1    7   10   30 o   38.102   10.300   10.643   10.942 4.948372 20.60095 
1 1 1    7   10   31 f   54.049   10.178   32.825   11.419 14.27641 20.35525 
1 1 1    7   10   32 o   65.521   13.118   45.393   16.584      ?      ? 
1 1 1    7   10   33 o   24.668   8.3209 -18.9999   11.259 1.301470 16.64171 
1 1 1    7   10   34 o   58.483   9.2373   38.182   11.653 -36.80155 18.47453 
1 1 1    7   10   35 o   41.447   10.941   14.790   12.090 1.999222 21.88111 
1 1 1    7   10   36 o   56.536   10.253   33.319   12.003 24.18244 20.50578 
1 1 1    7   10   37 o   72.869   8.6645   55.944   12.196 1.344688 17.32900 
1 1 1    7   10   38 o   73.102   8.6484   55.141   12.261 14.65552 17.29686 
1 1 1    7   11    0 o  306.869   4.6687  942.241   28.654      ?      ? 
1 1 1    7   11    1 o  588.799   8.1988  3473.14   96.549      ?      ? 
1 1 1    7   11    2 o  619.166   8.6108  3841.29  106.630      ?      ? 
1 1 1    7   11    3 o  442.830   6.3814  1963.11   56.518      ?      ? 
1 1 1    7   11    4 o  510.882   5.0766  2612.20   51.839 -7.025391 10.15315 
1 1 1    7   11    5 o  554.661   5.4925  3080.56   60.909 -4.678223 10.98496 
1 1 1    7   11    6 o  254.516   3.3382  648.183   16.821 0.1280212 6.676403 
1 1 1    7   11    7 o  438.635   3.9430  1917.99   32.120 -4.413757 7.885972 
1 1 1    7   11    8 o  228.703   3.1881  532.971   13.084 9.801254 6.376137 
1 1 1    7   11    9 o  260.442   3.2170  680.838   15.152 2.057587 6.433923 
1 1 1    7   11   10 o  215.667   3.3841  467.610   12.980 2.324768 6.768154 
1 1 1    7   11   11 f  504.987   3.6182  2551.64   36.542 3.777649 7.236373 
1 1 1    7   11   12 o  321.732   2.7187  1034.93   17.485 -5.073181 5.437334 
1 1 1    7   11   14 o  347.625   4.1383  1208.94   28.771      ?      ? 
1 1 1    7   11   16 o  233.737   4.2437  546.672   19.838      ?      ? 
1 1 1    7   11   18 o  326.311   2.9968  1065.38   19.555 2.694611 5.993607 
1 1 1    7   11   19 o  288.614   2.9866  833.066   17.233 9.329193 5.973127 
1 1 1    7   11   20 o  101.209   6.0231  103.500   12.098 13.21640 12.04627 
1 1 1    7   11   21 o  221.237   3.2039  490.188   14.170 7.678833 6.407809 
1 1 1    7   11   22 o   74.604   8.1308   56.203   12.110 -4.277336 16.26170 
1 1 1    7   11   23 f  324.457   3.0044  1054.35   19.495 -0.3549194 6.008895 
1 1 1    7   11   24 o  115.447   5.0468  133.918   11.651 3.119957 10.09361 
1 1 1    7   11   25 o  203.049   3.1564  412.880   12.810 9.692673 6.312728 
1 1 1    7   11   26 o   76.678   7.1638   59.582   10.975 4.918137 14.32768 
1 1 1    7   11   27 o  280.977   2.8755  790.970   16.148 5.806366 5.750951 
1 1 1    7   11   29 o  108.696   5.0280  119.687   10.913 8.651016 10.05601 
1 1 1    7   11   30 o   64.859   8.6338   44.496   10.888 -8.486473 17.26754 
1 1 1    7   11   31 o   34.934   9.6494   0.1431   11.494 -19.44168 19.29877 
1 1 1    7   11   32 o  138.998   4.2561  195.422   11.806 -2.450638 8.512206 
1 1 1    7   11   33 o   21.148   7.4001 -34.5707   11.333 2.092581 14.80025 
1 1 1    7   11   34 o   22.117   7.6748 -31.5404   11.674 0.2340355 15.34965 
1 1 1    7   11   35 o   34.163   10.051   2.1826   12.054 -8.524347 20.10117 
1 1 1    7   11   36 o   72.570   8.1934   54.929   11.802 1.839340 16.38677 
1 1 1    7   11   37 o   38.503   10.146   8.2383   12.038 -18.76696 20.29179 
1 1 1    7   11   38 o   76.344   7.8438   60.444   11.954 -4.888741 15.68752 
1 1 1    7   12    0 o  582.241   5.7292  3375.22   66.389 -33.70081 11.45837 
1 1 1    7   12    1 o  261.835   3.1595  683.413   16.435 -7.945770 6.318961 
1 1 1    7   12    2 o  149.569   5.3566  223.871   16.024      ?      ? 
1 1 1    7   12    3 o  358.740   5.4609  1287.89   39.181      ?      ? 
1 1 1    7   12    4 o  372.789   3.9051  1389.27   29.044 -5.344116 7.810266 
1 1 1    7   12    5 o  128.222   4.3403  172.957   10.292 19.37557 8.680639 
1 1 1    7   12    6 o  363.396   3.9267  1322.43   28.496 5.348175 7.853300 
1 1 1    7   12    7 o  320.681   3.2909  1029.48   19.276 0.5347290 6.581838 
1 1 1    7   12    8 o  372.196   3.5641  1390.96   24.671 3.638092 7.128268 
1 1 1    7   12    9 o  347.954   3.4783  1221.94   22.491 8.348541 6.956610 
1 1 1    7   12   10 o   47.924   9.1096   26.597   10.626 27.58714 18.21930 
1 1 1    7   12   11 o  187.930   2.7911  353.162   10.486 8.073044 5.582291 
1 1 1    7   12   13 o  270.960   3.8815  734.465   21.034      ?      ? 
1 1 1    7   12   15 o  149.663   5.4813  224.224   16.407      ?      ? 
1 1 1    7   12   17 o  452.119   3.4378  2045.91   31.085 0.6492004 6.875680 
1 1 1    7   12   18 o  470.086   3.5303  2212.17   33.190 -1.818787 7.060553 
1 1 1    7   12   19 o  252.101   2.9911  636.107   15.079 -0.2386932 5.982235 
1 1 1    7   12   20 o  231.994   3.0601  538.977   14.193 3.938507 6.120235 
1 1 1    7   12   21 o  150.558   4.0944  227.144   12.329 0.1102905 8.188861 
1 1 1    7   12   23 f  120.078   4.8679  144.791   11.687 3.334442 9.735801 
1 1 1    7   12   24 o  160.261   3.6865  257.546   11.815 0.3081207 7.373069 
1 1 1    7   12   25 o  226.756   2.9465  514.641   13.349 6.203049 5.893075 
1 1 1    7   12   26 o  265.878   2.8638  707.029   15.201 9.457855 5.727508 
1 1 1    7   12   29 o  137.612   4.0607  190.550   11.173 0.7051849 8.121340 
1 1 1    7   12   30 o   31.670   9.5860   0.2831   11.012 -4.214436 19.17196 
1 1 1    7   12   32 o   38.480   10.252   9.9862   11.169 13.51471 20.50466 
1 1 1    7   12   34 o   41.681   10.664   13.538   11.897 15.91680 21.32833 
1 1 1    7   12   35 o   48.543   10.898   23.984   12.072 13.55791 21.79689 
1 1 1    7   12   36 o   87.564   6.9052   78.669   12.021 4.140152 13.81031 
1 1 1    7   12   37 o   38.854   10.688   11.101   11.921 -0.1613998E-01 21.37541 
1 1 1    7   12   38 o  182.702   4.8405  331.567   17.389 -37.74609 9.680921 
1 1 1    7   13    0 o  202.037   3.1415  413.010   12.547 21.99156 6.282910 
1 1 1    7   13    1 o  493.617   4.9261  2414.15   48.218 -36.91046 9.852220 
1 1 1    7   13    2 o  452.737   6.5267  2051.64   59.098      ?      ? 
1 1 1    7   13    3 o  410.893   6.0763  1689.70   49.934      ?      ? 
1 1 1    7   13    4 o  309.656   3.5302  956.155   21.672 -7.635681 7.060384 
1 1 1    7   13    5 o  528.808   5.2728  2799.25   55.742 -4.025146 10.54557 
1 1 1    7   13    6 o  328.081   3.7395  1078.85   24.459 7.521210 7.478911 
1 1 1    7   13    7 o  393.030   3.6704  1536.93   26.626 -5.680115 7.340782 
1 1 1    7   13    8 f  136.622   4.4492  190.723   10.258 5.416733 8.898326 
1 1 1    7   13    9 o  686.524   5.8880  4684.03   75.221 -14.19916 11.77597 
1 1 1    7   13   10 o  499.321   7.3373  2496.50   73.273      ?      ? 
1 1 1    7   13   11 o  495.104   4.4353  2475.94   41.564 14.32379 8.870599 
1 1 1    7   13   14 o  426.624   3.2516  1821.26   27.743 3.728119 6.503225 
1 1 1    7   13   15 o  287.155   4.0223  824.997   23.101      ?      ? 
1 1 1    7   13   16 f  275.985   2.8589  761.883   15.776 4.085815 5.717735 
1 1 1    7   13   17 o  206.373   3.1378  426.229   12.948 0.5515594 6.275575 
1 1 1    7   13   18 o  214.802   3.1111  461.575   13.347 15.43422 6.222152 
1 1 1    7   13   19 o  118.788   4.8170  141.441   11.443 -1.810478 9.634057 
1 1 1    7   13   21 o  252.611   2.9827  638.143   15.061 -10.24237 5.965312 
1 1 1    7   13   22 o   47.136   10.528   22.364   11.139 -4.079384 21.05598 
1 1 1    7   13   23 o   63.645   8.8622   42.482   10.879 -0.2541618 17.72439 
1 1 1    7   13   24 o  217.127   3.0073  472.564   13.055 -2.666489 6.014581 
1 1 1    7   13   25 o   72.169   7.4394   52.750   10.719 5.349693 14.87882 
1 1 1    7   13   26 o  172.772   3.4831  299.600   12.018 1.418259 6.966183 
1 1 1    7   13   28 o  159.837   3.7258  257.388   11.875 0.1591492 7.451526 
1 1 1    7   13   29 o   52.297   10.052   29.461   10.777 -0.5980034 20.10412 
1 1 1    7   13   32 o   23.054   7.9095 -25.1675   11.199 2.939640 15.81892 
1 1 1    7   13   33 o   25.818   8.6396 -21.0812   11.869 7.905479 17.27924 
1 1 1    7   13   34 o   35.524   10.448   4.7964   12.200 1.387512 20.89576 
1 1 1    7   13   35 o  107.504   5.7549  116.336   12.272 12.68642 11.50982 
1 1 1    7   13   36 o  103.966   5.8426  110.324   12.078 0.5726318 11.68519 
1 1 1    7   13   37 o   88.380   6.6442   79.546   11.718 6.902039 13.28843 
1 1 1    7   14    0 o  309.811   3.4383  947.357   21.049 -25.73694 6.876541 
1 1 1    7   14    1 o  252.011   3.1674  636.793   15.920 9.118546 6.334874 
1 1 1    7   14    2 o  357.231   3.7847  1273.84   26.960 -10.81873 7.569445 
1 1 1    7   14    3 o  473.694   4.7631  2240.99   45.061 20.37137 9.526280 
1 1 1    7   14    4 o  171.558   3.4841  299.581   11.667 15.86749 6.968225 
1 1 1    7   14    5 o  257.216   3.3285  664.828   17.041 15.11725 6.656934 
1 1 1    7   14    6 o  357.112   3.9214  1273.73   27.970 25.65601 7.842784 
1 1 1    7   14    7 o  719.800   6.1419  5179.13   82.944 -4.166443 12.28385 
1 1 1    7   14    8 o  527.732   7.6268  2788.97   80.499      ?      ? 
1 1 1    7   14    9 f  563.796   4.9252  3166.15   51.772 -7.738586 9.850444 
1 1 1    7   14   11 o  482.586   7.1758  2331.76   69.259      ?      ? 
1 1 1    7   14   12 o  314.392   2.7435  988.843   17.250 1.534149 5.486918 
1 1 1    7   14   13 f  130.158   5.5693  169.591   14.498      ?      ? 
1 1 1    7   14   14 o  454.089   3.3757  2061.19   30.633 11.99338 6.751400 
1 1 1    7   14   15 o  103.269   7.5804  106.874   15.656      ?      ? 
1 1 1    7   14   16 o  523.472   3.7920  2743.54   39.699 1.594788 7.584046 
1 1 1    7   14   17 o  305.762   2.8619  935.375   17.496 3.335876 5.723716 
1 1 1    7   14   18 o  142.468   3.9732  203.107   11.309 9.116882 7.946375 
1 1 1    7   14   19 o  137.795   4.1766  190.242   11.506 5.376419 8.353177 
1 1 1    7   14   20 o  191.508   3.3308  367.156   12.756 4.393356 6.661642 
1 1 1    7   14   21 o  154.069   3.8580  237.952   11.879 -8.182571 7.716044 
1 1 1    7   14   22 o  168.523   3.4642  284.490   11.672 -5.772339 6.928494 
1 1 1    7   14   23 o  225.646   2.9123  510.072   13.142 -3.508194 5.824510 
1 1 1    7   14   24 o  333.831   2.9060  1116.98   19.400 1.152191 5.812083 
1 1 1    7   14   25 o  172.971   3.3909  300.055   11.702 1.262436 6.781803 
1 1 1    7   14   26 f  171.048   3.5760  293.406   12.213 2.497238 7.151987 
1 1 1    7   14   27 o   33.247   9.9304   1.2555   11.400 -2.085087 19.86075 
1 1 1    7   14   28 o   41.465   10.298   15.805   10.928 -8.889858 20.59629 
1 1 1    7   14   29 o   75.016   7.4924   60.343   10.710 -16.41985 14.98472 
1 1 1    7   14   30 o  164.934   5.0086  272.730   16.522      ?      ? 
1 1 1    7   14   31 o   37.565   9.2348   8.0442   10.703 -23.11517 18.46964 
1 1 1    7   14   32 o  115.684   5.1377  136.845   11.733 -11.35764 10.27545 
1 1 1    7   14   33 o   82.208   7.5225   71.028   12.152 -9.727318 15.04498 
1 1 1    7   14   34 o   81.594   8.0257   69.244   12.127 35.81883 16.05147 
1 1 1    7   14   35 f   30.926   9.7389  -4.1983   12.058 0.8956528 19.47787 
1 1 1    7   14   36 o  116.919   5.2373  138.326   12.213 6.578278 10.47465 
1 1 1    7   14   37 o   30.042   9.6107  -8.3912   12.257 7.193554 19.22138 
1 1 1    7   15    0 o  551.601   5.4592  3042.78   60.166 16.90222 10.91835 
1 1 1    7   15    1 o  374.336   3.9020  1402.50   29.207 2.560150 7.803949 
1 1 1    7   15    2 o  371.833   3.9129  1383.07   29.092 11.26981 7.825791 
1 1 1    7   15    3 o  309.873   3.0557  964.084   17.457 2.924255 6.111482 
1 1 1    7   15    4 o  582.158   5.7583  3392.40   67.004 -10.00104 11.51668 
1 1 1    7   15    5 o  275.494   3.5303  762.416   19.335 11.42584 7.060506 
1 1 1    7   15    6 o  748.821   7.3498  5621.85  110.065 -4.187561 14.69967 
1 1 1    7   15    7 o  365.712   5.9568  1338.66   43.570      ?      ? 
1 1 1    7   15    8 o  255.961   3.4477  682.862   15.923 26.10214 6.895458 
1 1 1    7   15    9 o  461.522   4.2163  2098.22   35.622 -17.67853 8.432570 
1 1 1    7   15   10 o  382.920   3.7393  1454.93   26.277 -7.971313 7.478635 
1 1 1    7   15   11 f   54.295   18.292   27.856   23.541      ?      ? 
1 1 1    7   15   12 o  192.385   4.0368  372.297   13.580 2.013885 8.073600 
1 1 1    7   15   14 f   76.131   6.6008   58.906   9.9047 -13.27977 13.20158 
1 1 1    7   15   15 o  375.237   2.9817  1408.90   22.374 3.485687 5.963411 
1 1 1    7   15   16 o  262.773   2.7413  690.595   14.400 4.583771 5.482585 
1 1 1    7   15   17 o  112.809   4.7126  127.716   10.612 -2.326355 9.425139 
1 1 1    7   15   18 o  424.021   3.2543  1799.84   27.593 4.917603 6.508595 
1 1 1    7   15   19 o   51.394   10.139   27.540   10.822 -1.643486 20.27901 
1 1 1    7   15   20 o  300.719   2.8549  905.465   17.170 -2.849091 5.709852 
1 1 1    7   15   21 o  130.519   4.2298  170.947   11.041 1.688873 8.459643 
1 1 1    7   15   22 o  200.968   3.0675  404.760   12.327 -4.444641 6.134973 
1 1 1    7   15   23 o   77.510   6.8076   60.825   10.540 -0.8564224 13.61515 
1 1 1    7   15   24 o  122.639   4.4140  152.088   10.764 -8.965073 8.828080 
1 1 1    7   15   25 o  175.632   3.3757  309.058   11.834 7.717316 6.751387 
1 1 1    7   15   26 o  157.378   5.1003  248.071   16.054      ?      ? 
1 1 1    7   15   27 f   28.846   9.0087  -4.0594   10.315 -2.356596 18.01735 
1 1 1    7   15   28 o   93.072   5.9496   90.644   10.716 -21.28848 11.89920 
1 1 1    7   15   29 o   65.843   12.267   45.506   15.552      ?      ? 
1 1 1    7   15   30 o   23.828   8.0637 -19.7170   10.843 0.4738655 16.12739 
1 1 1    7   15   31 o  110.337   5.1906  123.167   11.417 4.738503 10.38129 
1 1 1    7   15   32 o  103.674   5.7542  108.956   11.889 5.902565 11.50843 
1 1 1    7   15   33 o   59.463   10.051   38.756   11.731 0.7050133 20.10235 
1 1 1    7   15   34 o   85.676   7.1509   77.205   11.977 -10.20868 14.30182 
1 1 1    7   15   35 f   82.971   7.1870   70.977   11.854 0.5606689 14.37408 
1 1 1    7   15   36 o   87.075   7.0139   78.192   12.078 -4.347565 14.02777 
1 1 1    7   16    0 o  338.194   3.6780  1142.55   24.856 16.15762 7.356062 
1 1 1    7   16    1 f  425.759   4.3595  1813.89   37.105 -3.830536 8.718988 
1 1 1    7   16    2 o  425.584   4.3610  1812.40   37.098 -3.537506 8.722095 
1 1 1    7   16    3 o  502.676   4.3484  2563.93   41.915 25.57629 8.696754 
1 1 1    7   16    4 o  566.586   5.6360  3213.67   63.846 12.16949 11.27205 
1 1 1    7   16    5 o  197.664   3.9884  408.345   15.035 60.05821 7.976853 
1 1 1    7   16    6 o  412.764   4.3846  1681.28   35.708 -33.68378 8.769185 
1 1 1    7   16    7 o  349.741   3.9769  1201.12   27.306 -32.61014 7.953829 
1 1 1    7   16    8 o  480.597   4.3352  2274.85   38.153 -18.77472 8.670444 
1 1 1    7   16    9 o  268.751   3.3807  719.083   16.129 -2.908936 6.761380 
1 1 1    7   16   10 o  226.227   3.5498  515.292   14.022 2.887253 7.099682 
1 1 1    7   16   11 o  373.023   3.7155  1385.83   25.368 -4.400055 7.431045 
1 1 1    7   16   12 o  406.868   3.8909  1674.08   29.706 12.37915 7.781855 
1 1 1    7   16   13 f  139.386   5.0609  204.219   12.220 14.32732 10.12177 
1 1 1    7   16   14 o  271.885   2.6596  739.294   14.458 7.341461 5.319229 
1 1 1    7   16   15 o  176.223   3.0629  310.826   10.795 0.8859558 6.125897 
1 1 1    7   16   16 o   63.230   8.1376   42.663   9.7811 -24.10155 16.27513 
1 1 1    7   16   17 o  359.956   2.9193  1295.91   21.007 -10.55228 5.838583 
1 1 1    7   16   18 o  143.221   5.1836  205.460   14.848      ?      ? 
1 1 1    7   16   19 o  112.042   4.7118  126.009   10.553 -0.9534149 9.423512 
1 1 1    7   16   20 o  122.894   4.3016  151.601   10.572 -2.356148 8.603266 
1 1 1    7   16   21 o   94.693   5.5392   90.761   10.407 -13.24200 11.07834 
1 1 1    7   16   22 o   60.991   8.6663   39.361   10.316 -14.96549 17.33256 
1 1 1    7   16   23 o   75.123   6.9416   57.252   10.400 -0.4221954 13.88311 
1 1 1    7   16   24 o   96.211   5.4996   94.080   10.521 -6.571808 10.99926 
1 1 1    7   16   26 o  161.814   3.5158  263.763   11.356 -1.196533 7.031557 
1 1 1    7   16   27 o  125.121   4.3451  157.857   10.849 -0.7369843 8.690290 
1 1 1    7   16   29 o   94.714   6.0259   90.291   11.334 15.80110 12.05183 
1 1 1    7   16   30 o  160.222   3.7679  259.454   11.960 -2.726868 7.535867 
1 1 1    7   16   31 o  105.553   5.5492  112.988   11.596 -1.721710 11.09849 
1 1 1    7   16   32 f   46.139   9.7672   21.524   11.560 -26.04963 19.53445 
1 1 1    7   16   33 o   79.326   7.4103   63.594   11.617 16.03546 14.82062 
1 1 1    7   16   34 o   42.712   10.647   17.932   11.625 -8.104256 21.29413 
1 1 1    7   16   35 o   34.560   10.065   4.5121   11.464 -5.524242 20.13073 
1 1 1    7   16   36 o   34.171   10.144   3.7617   11.727 -0.2394943 20.28727 
1 1 1    7   17    0 o  413.388   4.2920  1704.45   35.367 -16.66180 8.583909 
1 1 1    7   17    1 o  295.556   3.4989  858.097   20.325 -27.64630 6.997748 
1 1 1    7   17    2 o  553.727   5.5189  3067.70   61.065 -11.79468 11.03774 
1 1 1    7   17    3 o  362.589   3.3971  1352.50   23.667 42.63861 6.794221 
1 1 1    7   17    4 o  476.097   4.2625  2179.54   36.113 -40.05289 8.525024 
1 1 1    7   17    5 o  603.805   5.9966  3639.02   72.171 -26.24066 11.99318 
1 1 1    7   17    6 f  193.012   3.8887  370.488   14.176 -3.678070 7.777388 
1 1 1    7   17    7 o  520.562   5.2658  2711.59   54.734 -10.94861 10.53164 
1 1 1    7   17    8 o  145.631   7.7554  212.506   22.588      ?      ? 
1 1 1    7   17    9 o  129.586   8.7104  168.327   22.575      ?      ? 
1 1 1    7   17   10 o  407.882   3.8679  1675.36   29.436 7.004364 7.735704 
1 1 1    7   17   11 o  240.735   3.4978  580.735   14.859 0.6789856 6.995651 
1 1 1    7   17   12 o  109.331   6.1916  128.708   11.380 15.69353 12.38325 
1 1 1    7   17   13 o   83.359   7.7978   70.520   11.375 1.826012 15.59559 
1 1 1    7   17   14 o  202.842   2.7879  411.776   11.310 0.5642242 5.575864 
1 1 1    7   17   15 o  251.193   2.6607  631.355   13.366 -3.846573 5.321469 
1 1 1    7   17   16 o  180.195   3.0469  324.885   10.977 3.878647 6.093850 
1 1 1    7   17   17 f  349.159   2.8822  1220.24   20.122 1.733826 5.764352 
1 1 1    7   17   18 o  150.474   3.4902  226.211   10.482 13.31178 6.980337 
1 1 1    7   17   19 o  134.576   3.7137  181.726   9.9876 -5.775162 7.427420 
1 1 1    7   17   20 f   50.212   9.3481   26.621   9.5373 -3.576538 18.69628 
1 1 1    7   17   21 o  152.106   3.4972  231.734   10.630 8.405777 6.994462 
1 1 1    7   17   22 o  146.237   3.6431  214.337   10.646 6.480591 7.286245 
1 1 1    7   17   23 o   36.409   9.8694   9.5612   10.094 -2.448376 19.73870 
1 1 1    7   17   24 o  171.898   5.1490  296.153   17.702      ?      ? 
1 1 1    7   17   25 o  112.557   4.8683  129.999   10.727 -11.53234 9.736544 
1 1 1    7   17   26 o  133.359   4.0351  178.760   10.724 2.119644 8.070161 
1 1 1    7   17   27 o   24.248   8.1145 -15.6681   10.422 -1.045527 16.22900 
1 1 1    7   17   28 o  245.419   4.0468  603.233   19.863      ?      ? 
1 1 1    7   17   29 o   66.620   8.1486   46.711   10.563 10.20552 16.29721 
1 1 1    7   17   30 o   96.495   7.8329   94.479   15.117      ?      ? 
1 1 1    7   17   31 o   34.013   10.073   3.9162   11.577 -2.575665 20.14598 
1 1 1    7   17   32 o   80.661   7.3020   67.628   11.533 -3.118629 14.60391 
1 1 1    7   17   33 o   41.284   10.670   15.918   11.480 -1.654564 21.33900 
1 1 1    7   17   34 o   57.932   9.6362   37.893   11.363 -19.04231 19.27249 
1 1 1    7   17   35 o   75.513   8.1050   59.934   11.548 26.84001 16.21001 
1 1 1    7   18    0 o  256.180   3.4064  658.571   17.406 15.26382 6.812894 
1 1 1    7   18    1 o  299.283   3.5424  897.513   21.155 5.672241 7.084874 
1 1 1    7   18    2 o  257.387   3.4284  665.333   17.522 8.252014 6.856864 
1 1 1    7   18    3 f  544.061   4.7424  2925.96   47.619 -17.89087 9.484879 
1 1 1    7   18    4 o  184.135   3.6325  375.025   10.738 34.02568 7.265032 
1 1 1    7   18    5 f  516.520   4.5627  2635.00   43.280 -17.35910 9.125409 
1 1 1    7   18    6 o  314.803   3.7637  993.127   23.464 2.894531 7.527434 
1 1 1    7   18    7 o  266.955   3.6329  712.881   18.920 -0.6021729 7.265882 
1 1 1    7   18    8 o  197.910   6.4894  392.275   25.687      ?      ? 
1 1 1    7   18    9 f  458.509   4.1624  2091.86   35.352 -7.409454 8.324862 
1 1 1    7   18   10 o  189.948   3.7439  351.201   12.142 -9.928360 7.487844 
1 1 1    7   18   11 o  447.562   4.1052  1987.11   33.858 -10.59546 8.210316 
1 1 1    7   18   12 o  428.401   3.9638  1842.07   31.832 2.868805 7.927593 
1 1 1    7   18   13 o  408.948   3.8762  1662.96   29.318 -7.517334 7.752430 
1 1 1    7   18   14 o  229.556   3.5164  526.077   14.508 -1.496887 7.032784 
1 1 1    7   18   15 o   49.744   9.2625   25.945   9.3466 -2.144283 18.52492 
1 1 1    7   18   16 o  205.053   2.7875  420.548   11.423 4.081055 5.575096 
1 1 1    7   18   17 f   52.859   8.0282   30.228   9.2652 -38.39917 16.05635 
1 1 1    7   18   18 o  287.350   2.6447  826.821   15.199 1.029633 5.289403 
1 1 1    7   18   19 o  257.627   2.6145  664.638   13.469 0.3762817 5.228920 
1 1 1    7   18   20 o  217.234   2.7037  473.073   11.738 -5.042709 5.407501 
1 1 1    7   18   21 o   86.717   5.4437   76.320   9.3729 -5.861877 10.88735 
1 1 1    7   18   22 o   82.324   5.7149   68.364   9.3976 2.693481 11.42979 
1 1 1    7   18   23 o  132.294   5.6273  175.601   14.889      ?      ? 
1 1 1    7   18   24 o   89.566   5.9575   81.168   10.562 -1.936844 11.91497 
1 1 1    7   18   25 o   68.458   7.4028   47.727   10.055 1.252754 14.80568 
1 1 1    7   18   26 o  109.040   4.8500  120.053   10.541 1.976959 9.699934 
1 1 1    7   18   27 o  133.557   5.9553  179.000   15.907      ?      ? 
1 1 1    7   18   28 o  143.170   5.5792  206.832   15.976      ?      ? 
1 1 1    7   18   29 o   51.265   10.313   28.995   11.196 -7.802994 20.62671 
1 1 1    7   18   30 o  173.182   3.6938  302.444   12.701 -2.531357 7.387506 
1 1 1    7   18   31 o   71.825   8.4038   55.003   11.528 -6.783463 16.80763 
1 1 1    7   18   32 o  105.452   5.6015  113.148   11.628 0.7889099 11.20307 
1 1 1    7   18   33 o   79.245   7.8444   68.342   11.557 -15.27241 15.68873 
1 1 1    7   18   34 o   67.415   8.6309   46.687   11.237 20.25495 17.26180 
1 1 1    7   18   35 o   73.622   7.7611   56.998   11.381 8.983315 15.52216 
1 1 1    7   19    0 o  277.281   3.4949  765.758   19.310 33.40543 6.989885 
1 1 1    7   19    1 o  302.541   3.6003  903.920   21.635 45.09824 7.200691 
1 1 1    7   19    2 o  320.209   3.2000  1024.47   18.663 -1.086182 6.399914 
1 1 1    7   19    3 o  217.383   3.2802  522.630   12.328 51.27979 6.560403 
1 1 1    7   19    4 o  172.616   3.8918  332.073   10.406 32.09360 7.783615 
1 1 1    7   19    5 o  364.324   3.5529  1294.38   23.002 -20.00995 7.105863 
1 1 1    7   19    6 o  453.405   4.0966  2051.93   34.411 -3.596405 8.193153 
1 1 1    7   19    7 o  227.667   3.6141  520.978   15.809 3.418106 7.228106 
1 1 1    7   19    8 o  711.162   7.0308  5078.77   99.992 -5.714355 14.06161 
1 1 1    7   19    9 o  431.617   3.9666  1853.51   31.660 -7.091187 7.933228 
1 1 1    7   19   10 o  644.701   5.5555  4167.99   67.360 0.1278687 11.11106 
1 1 1    7   19   11 o  293.877   3.3117  859.356   17.611 -4.076477 6.623459 
1 1 1    7   19   12 o  309.904   3.3647  955.455   18.921 -4.579315 6.729461 
1 1 1    7   19   13 o  119.469   5.6709  154.660   10.916 16.83389 11.34190 
1 1 1    7   19   14 o  172.592   4.1701  297.032   12.447 -1.522873 8.340263 
1 1 1    7   19   15 f  282.131   5.7838  797.910   32.636      ?      ? 
1 1 1    7   19   16 o  130.760   3.5446  172.186   9.2268 -11.18896 7.089252 
1 1 1    7   19   17 o  236.980   2.5599  562.276   12.131 0.5146484 5.119769 
1 1 1    7   19   18 o  247.058   2.5588  611.142   12.642 2.323074 5.117653 
1 1 1    7   19   19 o  174.316   2.8683  304.851   9.9829 -4.209045 5.736689 
1 1 1    7   19   20 o  133.570   3.4910  178.872   9.2873 1.397354 6.981913 
1 1 1    7   19   21 o  151.020   3.1790  227.544   9.5685 9.814194 6.358096 
1 1 1    7   19   22 o  204.086   4.2078  417.312   17.175      ?      ? 
1 1 1    7   19   23 o   47.712   14.317   23.540   14.743      ?      ? 
1 1 1    7   19   24 o  129.764   3.9553  169.836   10.202 -3.361404 7.910609 
1 1 1    7   19   25 o   47.196   10.037   23.238   10.139 4.441780 20.07333 
1 1 1    7   19   26 o  120.821   4.6322  146.348   11.170 5.608200 9.264418 
1 1 1    7   19   27 o   47.761   10.419   24.287   11.042 -5.990391 20.83832 
1 1 1    7   19   28 o   64.438   8.7795   45.170   10.924 -11.68462 17.55900 
1 1 1    7   19   29 o  111.756   5.1525  124.504   11.413 10.92156 10.30508 
1 1 1    7   19   30 o   75.226   7.8719   60.480   11.207 -9.835480 15.74379 
1 1 1    7   19   31 o   83.477   6.7981   70.646   11.245 8.222038 13.59611 
1 1 1    7   19   32 o  104.050   5.6098  108.030   11.533 18.03478 11.21962 
1 1 1    7   19   33 o   66.477   8.8181   47.413   11.193 2.181000 17.63628 
1 1 1    7   19   34 o   83.049   6.7197   70.060   11.105 10.08397 13.43950 
1 1 1    7   20    0 o  364.193   3.9605  1327.65   28.818 -2.540039 7.921013 
1 1 1    7   20    1 o  380.419   4.0781  1442.72   30.883 -16.61047 8.156117 
1 1 1    7   20    2 o  268.313   3.0352  725.549   14.490 4.257782 6.070346 
1 1 1    7   20    3 o  248.244   3.0812  625.111   13.239 6.874786 6.162452 
1 1 1    7   20    4 o  299.359   3.1914  902.946   17.045 4.574036 6.382778 
1 1 1    7   20    5 o  677.175   5.8292  4563.73   73.674 -13.87836 11.65846 
1 1 1    7   20    6 o  222.938   3.2252  504.849   11.914 6.041534 6.450475 
1 1 1    7   20    7 o  301.869   3.2298  899.951   17.110 -8.240173 6.459595 
1 1 1    7   20    8 o  260.379   3.4696  675.301   17.621 -5.930145 6.939258 
1 1 1    7   20    9 o  205.408   3.3458  419.919   11.791 -2.262390 6.691644 
1 1 1    7   20   10 o  315.350   3.3197  992.693   19.078 -2.181091 6.639494 
1 1 1    7   20   11 o  275.118   3.2308  759.709   16.103 1.731506 6.461525 
1 1 1    7   20   12 o   84.672   6.9021   63.452   10.143 -20.02221 13.80424 
1 1 1    7   20   13 f  283.126   3.3635  779.862   16.760 -16.63837 6.726934 
1 1 1    7   20   14 o  140.057   4.7705  206.374   10.997 12.40871 9.540977 
1 1 1    7   20   15 o  130.883   4.9280  178.049   10.604 8.396492 9.855906 
1 1 1    7   20   16 o  160.572   4.0158  252.031   11.283 -8.156250 8.031568 
1 1 1    7   20   17 o   33.975   8.7547   8.4571   8.2422 -10.89087 17.50938 
1 1 1    7   20   18 o  267.827   2.5217  718.467   13.503 0.8543396 5.043428 
1 1 1    7   20   19 o   55.516   7.8287   33.658   8.3899 -19.76932 15.65733 
1 1 1    7   20   20 o  132.510   3.4852  175.749   9.1928 4.263031 6.970304 
1 1 1    7   20   21 o  243.927   3.9496  595.846   19.268      ?      ? 
1 1 1    7   20   23 f   90.244   5.2352   82.180   9.3947 1.086563 10.47044 
1 1 1    7   20   24 o  176.744   3.1100  311.851   10.926 8.600876 6.220052 
1 1 1    7   20   26 o   90.171   5.9608   82.259   10.722 4.599152 11.92154 
1 1 1    7   20   27 o   73.685   7.2559   56.386   10.559 -3.749802 14.51170 
1 1 1    7   20   28 o  137.040   5.5240  188.945   15.140      ?      ? 
1 1 1    7   20   29 f   90.142   6.2946   83.464   11.212 -0.8094101 12.58919 
1 1 1    7   20   30 o   43.854   10.535   19.684   11.118 -4.734116 21.06952 
1 1 1    7   20   31 o  153.273   3.8837  236.596   11.793 3.472321 7.767435 
1 1 1    7   20   32 o  113.229   4.9992  128.545   11.232 11.73732 9.998358 
1 1 1    7   20   33 o  125.016   4.6021  156.966   11.464 9.360985 9.204212 
1 1 1    7   21    0 o  340.556   3.8031  1154.76   25.740 -16.51956 7.606120 
1 1 1    7   21    1 o  184.956   3.7071  346.458   13.419 11.32100 7.414130 
1 1 1    7   21    2 o  230.155   3.0812  543.583   12.118 11.43915 6.162469 
1 1 1    7   21    3 o  435.867   3.9441  1887.71   31.680 -8.589905 7.888135 
1 1 1    7   21    4 o  262.893   3.0881  698.124   14.094 4.982391 6.176146 
1 1 1    7   21    5 o  231.902   5.4650  538.666   25.347      ?      ? 
1 1 1    7   21    6 o  291.170   3.1409  838.978   15.949 -6.656616 6.281703 
1 1 1    7   21    7 o  199.515   3.2274  394.783   10.220 -2.950256 6.454875 
1 1 1    7   21    8 o  242.112   5.4442  587.241   26.362      ?      ? 
1 1 1    7   21    9 o  200.270   5.8296  401.918   23.350      ?      ? 
1 1 1    7   21   10 o  331.127   3.3638  1060.68   19.838 -24.10901 6.727653 
1 1 1    7   21   11 o  405.239   3.7804  1645.05   28.547 0.6286621E-01 7.560791 
1 1 1    7   21   12 o  106.410   5.6945  115.284   9.6472 2.578880 11.38898 
1 1 1    7   21   13 o  216.307   3.3416  458.836   12.474 -8.922989 6.683287 
1 1 1    7   21   14 o  119.546   4.8391  137.131   9.7648 -9.616280 9.678226 
1 1 1    7   21   15 o   87.088   6.5328   72.844   9.6824 -7.543938 13.06550 
1 1 1    7   21   16 o  279.980   3.2766  780.150   16.484 -4.340942 6.553256 
1 1 1    7   21   17 o  101.310   6.1278  107.894   10.532 8.501030 12.25562 
1 1 1    7   21   18 o  107.154   3.8349  115.602   8.1898 -3.827271 7.669820 
1 1 1    7   21   19 o  107.495   5.4009  116.239   11.611      ?      ? 
1 1 1    7   21   21 o   97.905   4.8388   99.179   9.2244 -17.33115 9.677689 
1 1 1    7   21   22 o  136.997   3.3858  189.132   9.2223 -4.748123 6.771658 
1 1 1    7   21   23 o   57.733   7.9644   35.835   8.8851 -13.97735 15.92886 
1 1 1    7   21   25 o  185.788   3.0838  346.661   11.454 -5.330841 6.167675 
1 1 1    7   21   26 o  145.035   3.6554  212.574   10.571 -6.185883 7.310882 
1 1 1    7   21   27 o  214.732   4.3698  462.939   18.767      ?      ? 
1 1 1    7   21   28 o   96.469   5.7156   96.270   10.898 -9.658134 11.43116 
1 1 1    7   21   29 o  124.981   4.8080  157.672   11.897 4.029678 9.615973 
1 1 1    7   21   30 f   39.078   10.559   12.068   11.838 -6.585045 21.11725 
1 1 1    7   21   31 o   79.711   7.2586   66.798   11.290 -9.123962 14.51725 
1 1 1    7   21   32 o  124.750   4.6572  157.477   11.548 -1.037086 9.314382 
1 1 1    7   21   33 o   75.006   7.1541   59.958   10.587 -2.129898 14.30823 
1 1 1    7   22    0 o  577.119   5.7702  3343.84   66.601 1.656494 11.54037 
1 1 1    7   22    1 f  195.177   3.1433  382.983   10.172 1.589157 6.286506 
1 1 1    7   22    2 o  216.790   3.0780  474.635   11.057 3.540863 6.156055 
1 1 1    7   22    3 o  254.476   3.0346  641.510   13.138 -4.910004 6.069154 
1 1 1    7   22    4 o  286.619   3.1079  817.141   15.605 -3.681976 6.215836 
1 1 1    7   22    5 o  238.079   3.0310  566.354   11.990 -0.6818237 6.061901 
1 1 1    7   22    6 o  315.539   3.2383  979.994   18.015 -11.07394 6.476543 
1 1 1    7   22    7 o  351.000   3.4155  1203.41   21.337 -18.48022 6.831075 
1 1 1    7   22    8 f  525.086   4.6027  2789.38   46.212 16.81390 9.205415 
1 1 1    7   22    9 o  301.898   3.1816  942.437   17.742 27.25540 6.363240 
1 1 1    7   22   10 o   93.381   10.298   88.049   19.233      ?      ? 
1 1 1    7   22   11 f  156.137   3.7426  231.801   9.4234 -13.37016 7.485194 
1 1 1    7   22   12 o  122.659   4.8525  160.410   9.1525 12.33259 9.704909 
1 1 1    7   22   13 o  186.156   3.4369  346.352   10.837 -0.8068237 6.873726 
1 1 1    7   22   14 f  189.619   3.4167  359.400   11.135 -0.9009094 6.833385 
1 1 1    7   22   15 o  242.031   3.1861  578.549   13.612 -7.402359 6.372200 
1 1 1    7   22   16 o   70.495   8.1660   47.293   9.4173 -8.911758 16.33197 
1 1 1    7   22   17 o   33.699   10.010   3.8329   9.4942 -8.453526 20.02071 
1 1 1    7   22   20 o  127.210   3.4125  163.239   8.6431 -3.511124 6.825007 
1 1 1    7   22   21 o   34.943   9.1474   9.9717   8.4852 3.025673 18.29478 
1 1 1    7   22   22 o  100.978   4.4347  104.273   8.8342 -15.33200 8.869311 
1 1 1    7   22   23 o  156.993   4.6042  247.140   14.456      ?      ? 
1 1 1    7   22   24 o  203.673   2.8666  416.253   11.674 -2.133423 5.733225 
1 1 1    7   22   25 o   73.145   6.4910   55.525   9.3716 -9.969643 12.98199 
1 1 1    7   22   26 f   74.065   7.3962   56.738   9.8710 41.51601 14.79231 
1 1 1    7   22   27 o  102.729   5.1658  107.318   10.584 3.401878 10.33152 
1 1 1    7   22   28 o   59.340   9.1796   38.299   10.535 -0.4080391 18.35922 
1 1 1    7   22   29 o   26.575   8.6500 -12.0179   10.976 -5.011139 17.30004 
1 1 1    7   22   30 o  184.587   3.4256  342.706   12.591 2.833054 6.851197 
1 1 1    7   22   31 o   80.812   6.9291   66.150   11.102 14.81780 13.85824 
1 1 1    7   22   32 o   64.409   8.5790   43.598   10.677 26.17388 17.15804 
1 1 1    7   23    0 o  290.786   3.5213  845.270   20.366 -5.046722 7.042700 
1 1 1    7   23    1 f  286.521   3.0811  834.854   15.888 10.65390 6.162155 
1 1 1    7   23    2 o  288.837   3.1026  829.561   15.736 -3.959015 6.205287 
1 1 1    7   23    3 o  491.666   4.3765  2421.54   40.546 -0.7278442 8.753033 
1 1 1    7   23    4 f  171.408   3.3524  296.058   8.4165 1.718170 6.704823 
1 1 1    7   23    5 o  182.771   5.8554  334.912   21.404      ?      ? 
1 1 1    7   23    6 o  132.108   7.3326  175.312   19.374      ?      ? 
1 1 1    7   23    7 o  212.160   5.3691  451.349   22.782      ?      ? 
1 1 1    7   23    8 o  217.451   5.3520  474.222   23.276      ?      ? 
1 1 1    7   23    9 o  358.594   3.4263  1286.60   22.700 -1.308777 6.852527 
1 1 1    7   23   10 o   68.160   8.0391   56.443   5.9102 16.46717 16.07815 
1 1 1    7   23   11 o   47.052   8.9051   26.174   7.6698 14.00303 17.81015 
1 1 1    7   23   12 o  132.714   4.3253  182.037   8.8070 6.430099 8.650639 
1 1 1    7   23   13 o  241.690   3.1112  579.008   13.142 -5.320236 6.222474 
1 1 1    7   23   14 o  106.192   5.0553  109.195   8.7078 -6.606895 10.11051 
1 1 1    7   23   15 o  167.556   3.6611  280.487   10.298 -1.154434 7.322257 
1 1 1    7   23   17 o  334.922   6.1555  1125.15   41.232      ?      ? 
1 1 1    7   23   18 o   86.785   14.259   76.737   24.749      ?      ? 
1 1 1    7   23   19 o   66.376   9.2448   44.962   10.333 -2.068138 18.48958 
1 1 1    7   23   20 o   93.225   4.2378   86.874   7.8389 5.540482 8.475551 
1 1 1    7   23   21 o  137.853   3.2394  191.213   8.9210 3.804779 6.478723 
1 1 1    7   23   22 o   91.191   7.1354   83.568   13.014      ?      ? 
1 1 1    7   23   23 o  120.223   5.6716  145.794   13.637      ?      ? 
1 1 1    7   23   24 o   74.075   6.1976   56.205   9.1593 -0.9526901 12.39511 
1 1 1    7   23   26 o   50.476   9.1484   28.769   9.5860 -15.84041 18.29678 
1 1 1    7   23   27 o   35.780   9.7461   9.6246   9.8037 2.856590 19.49211 
1 1 1    7   23   28 o  103.039   5.1039  107.712   10.468 1.847198 10.20776 
1 1 1    7   23   29 o   92.076   5.9047   86.012   10.812 13.69749 11.80934 
1 1 1    7   23   30 o   97.499   5.6536   96.714   11.018 3.646759 11.30727 
1 1 1    7   23   31 o   48.677   9.6860   24.824   10.364 19.53632 19.37202 
1 1 1    7   24    0 o  114.326   4.7985  135.113   10.404 11.71231 9.597050 
1 1 1    7   24    1 o  170.697   3.2105  303.963   8.2707 10.98701 6.421021 
1 1 1    7   24    2 o  267.241   5.1158  716.066   27.343      ?      ? 
1 1 1    7   24    3 o  533.154   7.6152  2859.21   81.202      ?      ? 
1 1 1    7   24    4 f  172.636   5.6552  298.983   19.526      ?      ? 
1 1 1    7   24    5 o  187.356   5.4158  352.021   20.294      ?      ? 
1 1 1    7   24    6 o  246.081   4.9810  606.991   24.514      ?      ? 
1 1 1    7   24    7 f  232.686   5.0313  542.783   23.414      ?      ? 
1 1 1    7   24    8 o  179.169   5.5054  322.062   19.728      ?      ? 
1 1 1    7   24    9 o  185.730   5.4941  346.155   20.408      ?      ? 
1 1 1    7   24   10 o  346.400   5.6218  1204.63   38.948      ?      ? 
1 1 1    7   24   11 o  172.301   4.0870  297.206   13.944 -4.146317 8.173947 
1 1 1    7   24   12 o  308.294   3.2338  944.531   18.002 -6.219330 6.467611 
1 1 1    7   24   13 o  329.972   3.3242  1087.72   20.034 -3.032074 6.648393 
1 1 1    7   24   14 f  107.504   5.6691  135.172   9.0387 27.06887 11.33821 
1 1 1    7   24   15 o  287.531   5.6431  829.667   32.451      ?      ? 
1 1 1    7   24   16 o  385.340   6.2999  1488.57   48.552      ?      ? 
1 1 1    7   24   17 o   20.670   7.3575 -30.8821   9.8258 -7.632780 14.71497 
1 1 1    7   24   18 o  206.658   3.2857  416.735   11.927 -11.70583 6.571415 
1 1 1    7   24   19 o   36.412   9.9949   9.5048   9.5338 -4.102001 19.98977 
1 1 1    7   24   21 o  328.685   2.7215  1075.79   17.811 -18.70407 5.443053 
1 1 1    7   24   22 o  103.882   4.2147  109.124   8.6845 -17.48645 8.429465 
1 1 1    7   24   24 o  254.718   3.6845  650.551   18.770      ?      ? 
1 1 1    7   24   25 f   78.846   6.0543   63.527   9.4752 2.353073 12.10860 
1 1 1    7   24   26 o   39.162   9.7444   14.802   9.4365 -1.216694 19.48882 
1 1 1    7   24   27 o   67.761   7.3829   47.417   9.8839 0.4794540 14.76574 
1 1 1    7   24   28 o  103.658   5.0289  107.970   10.367 12.90749 10.05774 
1 1 1    7   24   29 o   68.596   8.0295   49.646   10.423 26.86082 16.05891 
1 1 1    7   24   30 o   69.842   10.406   50.321   14.535      ?      ? 
1 1 1    7   25    0 o  227.462   4.8190  518.657   21.923      ?      ? 
1 1 1    7   25    1 o  309.147   5.1073  958.360   31.578      ?      ? 
1 1 1    7   25    2 o  199.690   5.0764  399.865   20.274      ?      ? 
1 1 1    7   25    3 o  348.266   5.4733  1216.89   38.123      ?      ? 
1 1 1    7   25    4 o  297.688   5.0895  888.774   30.302      ?      ? 
1 1 1    7   25    5 o  281.205   4.9742  793.041   27.976      ?      ? 
1 1 1    7   25    6 o  130.963   6.6225  172.424   17.346      ?      ? 
1 1 1    7   25    7 o   48.614   15.356   24.170   16.675      ?      ? 
1 1 1    7   25    8 o   52.929   15.168   29.670   16.888      ?      ? 
1 1 1    7   25    9 o  186.318   5.5665  348.725   20.743      ?      ? 
1 1 1    7   25   10 o   99.373   9.5362  100.065   18.953      ?      ? 
1 1 1    7   25   11 o  137.034   4.7253  190.361   12.695 5.037155 9.450608 
1 1 1    7   25   13 o  161.672   6.8706  262.567   22.216      ?      ? 
1 1 1    7   25   14 o  243.046   5.6386  591.874   27.409      ?      ? 
1 1 1    7   25   15 o   29.639   13.876 -18.2309   20.501      ?      ? 
1 1 1    7   25   16 o   87.842   6.0696   68.842   9.0830 -19.55805 12.13913 
1 1 1    7   25   17 o   94.556   5.7603   88.466   9.2542 -3.665924 11.52070 
1 1 1    7   25   18 o  153.833   3.7874  227.797   10.192 -13.97585 7.574831 
1 1 1    7   25   19 o  105.409   9.9270  112.442   20.928      ?      ? 
1 1 1    7   25   20 o   38.774   16.309   3.4327   21.505      ?      ? 
1 1 1    7   25   21 o   98.229   5.9550   86.712   10.090 -22.19060 11.91006 
1 1 1    7   25   22 o   71.240   5.9726   52.565   8.3707 -11.13882 11.94518 
1 1 1    7   25   23 o  263.071   3.6135  693.946   19.012      ?      ? 
1 1 1    7   25   24 o   59.114   8.0968   38.331   9.2125 -17.66826 16.19364 
1 1 1    7   25   25 o  143.262   3.4918  208.244   9.9138 -9.176514 6.983582 
1 1 1    7   25   26 o   91.637   5.2021   85.789   9.4691 -3.760017 10.40422 
1 1 1    7   25   27 o   79.969   6.1326   65.024   9.7623 10.79634 12.26512 
1 1 1    7   25   28 o  100.355   5.0895  101.963   10.199 4.700722 10.17908 
1 1 1    7   25   29 f   41.053   9.9026   16.716   9.8264 4.682571 19.80515 
1 1 1    7   26    0 o  119.353   6.5209  143.311   15.566      ?      ? 
1 1 1    7   26    1 o  178.844   5.0726  321.021   18.144      ?      ? 
1 1 1    7   26    2 o  152.658   5.6083  234.098   17.123      ?      ? 
1 1 1    7   26    3 o  185.413   5.0771  345.073   18.827      ?      ? 
1 1 1    7   26    4 o  262.075   4.7828  689.145   25.069      ?      ? 
1 1 1    7   26    5 o  137.556   6.1056  190.251   16.797      ?      ? 
1 1 1    7   26    6 o  112.602   7.3292  127.788   16.506      ?      ? 
1 1 1    7   26    7 o  408.091   6.0892  1674.64   49.699      ?      ? 
1 1 1    7   26    8 o  171.825   5.7509  296.868   19.763      ?      ? 
1 1 1    7   26    9 o  212.420   5.4397  454.031   23.110      ?      ? 
1 1 1    7   26   10 o   81.653   12.437   68.094   20.310      ?      ? 
1 1 1    7   26   11 o  389.822   6.1055  1523.14   47.601      ?      ? 
1 1 1    7   26   12 o  192.605   4.0619  377.523   15.327 16.98270 8.123814 
1 1 1    7   26   13 o   59.593   10.388   36.930   11.964 -13.13733 20.77593 
1 1 1    7   26   14 o  116.437   5.4785  134.561   12.488 -10.04154 10.95706 
1 1 1    7   26   15 o  104.523   5.1043  117.132   7.3145 9.619446 10.20866 
1 1 1    7   26   16 o   86.492   11.057   77.206   19.128      ?      ? 
1 1 1    7   26   18 o  110.485   8.8164  123.041   19.482      ?      ? 
1 1 1    7   26   19 o   20.477   7.3155 -34.4326   9.3935 -11.77196 14.63102 
1 1 1    7   26   20 o   25.861   8.3180  -7.7303   9.5892 2.906010 16.63599 
1 1 1    7   26   21 o  158.132   6.9055  252.721   21.840      ?      ? 
1 1 1    7   26   22 o  149.222   4.5478  237.995   11.695 18.39093 9.095670 
1 1 1    7   26   23 o  156.227   2.9626  244.603   9.2137 3.953323 5.925139 
1 1 1    7   26   24 o   22.737   7.5304 -11.3926   8.5354 2.399721 15.06075 
1 1 1    7   26   25 o   32.469   9.0264   6.3389   8.6605 7.451262 18.05275 
1 1 1    7   26   26 o   34.736   9.1570   7.0260   9.3576 15.57976 18.31392 
1 1 1    7   26   27 o   62.124   7.9600   41.085   9.5578 -13.91972 15.91994 
1 1 1    7   26   28 o   40.889   9.7450   16.619   9.5926 7.414139 19.48991 
1 1 1    7   27    0 o  117.545   6.4040  139.131   15.055      ?      ? 
1 1 1    7   27    1 o  181.007   4.9069  328.989   17.764      ?      ? 
1 1 1    7   27    2 o  265.184   4.7922  706.107   25.416      ?      ? 
1 1 1    7   27    3 o  203.868   4.8291  417.487   19.690      ?      ? 
1 1 1    7   27    4 o   55.397   14.069   33.168   15.623      ?      ? 
1 1 1    7   27    5 o  155.031   5.8512  242.004   18.142      ?      ? 
1 1 1    7   27    6 o  300.772   5.1661  907.905   31.076      ?      ? 
1 1 1    7   27    7 o  215.706   5.1359  466.230   22.157      ?      ? 
1 1 1    7   27    8 o  300.023   5.3410  901.637   32.049      ?      ? 
1 1 1    7   27    9 o  409.420   6.2773  1681.88   51.401      ?      ? 
1 1 1    7   27   10 o   79.484   12.117   65.424   19.263      ?      ? 
1 1 1    7   27   11 o   98.831   9.2298   99.520   18.244      ?      ? 
1 1 1    7   27   12 o  151.408   4.3162  233.085   12.904 10.85358 8.632410 
1 1 1    7   27   13 o  211.175   3.6244  447.558   15.246 -4.048355 7.248805 
1 1 1    7   27   14 o  168.527   3.9152  286.577   13.121 -0.1599426 7.830332 
1 1 1    7   27   15 o  149.432   4.3920  225.507   13.009 1.716415 8.784026 
1 1 1    7   27   16 o  228.730   5.3562  524.593   24.502      ?      ? 
1 1 1    7   27   17 o   52.599   16.233   29.970   18.775      ?      ? 
1 1 1    7   27   18 o   58.813   8.4928   34.059   7.9178 -4.792202 16.98565 
1 1 1    7   27   19 o   49.567   9.5898   19.230   8.6126 -27.84476 19.17961 
1 1 1    7   27   20 o  166.898   3.9510  302.563   11.001 25.93971 7.902091 
1 1 1    7   27   21 o  160.423   3.9663  247.118   10.817 -14.39648 7.932543 
1 1 1    7   27   22 o  118.756   5.2050  138.091   10.484 -7.168709 10.41008 
1 1 1    7   27   23 o   97.975   6.3218  101.733   10.444 7.916389 12.64366 
1 1 1    7   27   24 o  121.765   5.1315  148.267   11.178 -4.047615 10.26291 
1 1 1    7   27   25 o  123.144   3.8471  153.566   9.4429 -8.126205 7.694258 
1 1 1    7   27   26 o  134.080   3.6054  180.680   9.6539 10.37448 7.210894 
1 1 1    7   28    0 o  235.821   4.4624  556.774   21.047      ?      ? 
1 1 1    7   28    1 o  306.214   4.9589  939.060   30.369      ?      ? 
1 1 1    7   28    2 o  248.273   4.7228  617.264   23.451      ?      ? 
1 1 1    7   28    3 o  162.247   5.3847  263.786   17.473      ?      ? 
1 1 1    7   28    4 o  238.636   4.9466  570.775   23.609      ?      ? 
1 1 1    7   28    5 o   60.605   14.013   39.283   16.659      ?      ? 
1 1 1    7   28    6 o   26.585   12.326 -12.2298   15.648      ?      ? 
1 1 1    7   28    7 o  226.234   4.9577  514.970   22.432      ?      ? 
1 1 1    7   28    8 o   74.371   11.616   56.759   17.278      ?      ? 
1 1 1    7   28    9 o   60.171   14.587   39.203   17.397      ?      ? 
1 1 1    7   28   10 o  113.648   7.8935  130.837   17.942      ?      ? 
1 1 1    7   28   11 o  241.125   5.0919  584.881   24.556      ?      ? 
1 1 1    7   28   13 o  206.491   3.8321  405.692   15.406 -52.46291 7.664119 
1 1 1    7   28   14 o  235.445   3.5568  558.205   16.674 14.99945 7.113616 
1 1 1    7   28   15 f   21.407   7.4422 -34.7887   11.470 3.916187 14.88445 
1 1 1    7   28   16 o  115.550   5.4415  136.098   12.496 2.805984 10.88307 
1 1 1    7   28   17 o  203.976   3.8964  419.707   15.890 -0.3129578 7.792819 
1 1 1    7   28   18 o  183.514   3.3047  325.661   9.8662 -11.24336 6.609385 
1 1 1    7   28   19 o   29.696   9.1485 -16.2484   8.1606 -29.58413 18.29705 
1 1 1    7   28   20 o  201.742   3.4124  398.086   11.391 -9.362762 6.824770 
1 1 1    7   28   21 o  110.656   5.2529  115.529   9.4729 -12.85117 10.50577 
1 1 1    7   28   22 o  101.653   5.7255  101.005   9.7438 -6.889923 11.45100 
1 1 1    7   28   23 o   43.516   10.551   18.150   9.8923 -6.274609 21.10181 
1 1 1    7   28   24 o   40.012   10.466   13.441   9.9381 -8.088989 20.93247 
1 1 1    7   28   25 f   96.510   6.3458   95.590   10.134 2.103157 12.69169 
1 1 1    7   28   26 o  120.702   3.4405  147.318   8.2710 -15.26444 6.880996 
1 1 1    7   29    0 o  290.515   4.8556  847.812   28.212      ?      ? 
1 1 1    7   29    1 o  189.960   4.8350  362.469   18.369      ?      ? 
1 1 1    7   29    2 o  118.026   6.4327  140.421   15.184      ?      ? 
1 1 1    7   29    3 o  157.486   5.3426  249.430   16.828      ?      ? 
1 1 1    7   29    4 o   90.153   8.3791   82.461   15.108      ?      ? 
1 1 1    7   29    5 o  171.142   5.1271  294.524   17.549      ?      ? 
1 1 1    7   29    6 o  180.656   5.2372  328.210   18.923      ?      ? 
1 1 1    7   29    7 o   86.021   9.8662   75.572   16.974      ?      ? 
1 1 1    7   29    8 o   62.878   14.350   43.823   17.654      ?      ? 
1 1 1    7   29    9 o  132.851   7.2002  180.192   19.131      ?      ? 
1 1 1    7   29   10 o  130.096   7.2916  170.380   18.972      ?      ? 
1 1 1    7   29   11 o  191.585   5.6385  368.154   21.605      ?      ? 
1 1 1    7   29   12 o   69.944   14.461   52.703   19.543      ?      ? 
1 1 1    7   29   13 o  256.380   5.3120  662.604   27.238      ?      ? 
1 1 1    7   29   14 o   70.031   9.2521   52.982   12.514 8.031136 18.50424 
1 1 1    7   29   15 o   31.540   9.9397  -7.1776   12.884 -7.630825 19.87935 
1 1 1    7   29   16 o  171.163   4.3195  293.043   14.734 -17.55574 8.638960 
1 1 1    7   29   17 o   33.983   10.314  -0.7581   13.063 6.786816 20.62722 
1 1 1    7   29   18 o   29.052   9.4721 -17.7764   13.593 8.631342 18.94416 
1 1 1    7   29   19 o   78.970   9.3636   68.429   14.035 17.53593 18.72711 
1 1 1    7   29   20 o  128.905   4.5147  167.934   8.8182 0.6833344 9.029317 
1 1 1    7   29   21 o  181.494   3.4077  319.223   10.253 -11.77022 6.815388 
1 1 1    7   29   22 o  115.146   4.7849  128.104   9.0155 -8.601967 9.569713 
1 1 1    7   29   23 o   52.475   9.3885   31.748   8.9262 11.12093 18.77691 
1 1 1    7   29   24 o   62.454   8.9870   51.729   8.9765 27.82261 17.97396 
1 1 1    7   30    0 o   16.999   8.6460 -54.6189   15.301      ?      ? 
1 1 1    7   30    1 o  115.501   6.7339  136.259   15.555      ?      ? 
1 1 1    7   30    2 o  172.360   5.1685  300.822   17.817      ?      ? 
1 1 1    7   30    3 o   51.249   14.389   29.351   15.350      ?      ? 
1 1 1    7   30    4 o  128.473   6.5745  166.861   16.893      ?      ? 
1 1 1    7   30    5 o  179.176   5.5296  322.474   19.815      ?      ? 
1 1 1    7   30    6 o  288.778   5.2520  836.193   30.333      ?      ? 
1 1 1    7   30    7 o  213.177   5.4447  455.711   23.214      ?      ? 
1 1 1    7   30    8 o  168.671   6.2690  286.085   21.148      ?      ? 
1 1 1    7   30    9 o   27.469   12.940 -19.2331   18.631      ?      ? 
1 1 1    7   30   10 o   28.244   13.114 -13.8444   17.798      ?      ? 
1 1 1    7   30   11 o  152.561   6.3248  235.489   19.298      ?      ? 
1 1 1    7   30   13 o  121.749   8.3422  150.606   20.313      ?      ? 
1 1 1    7   30   14 o  201.310   4.0127  408.904   16.113 9.386215 8.025419 
1 1 1    7   30   15 o  133.105   5.2807  181.829   13.939 8.188828 10.56141 
1 1 1    7   30   16 o   36.339   10.464   3.2905   13.027 12.08952 20.92721 
1 1 1    7   30   17 o  155.237   4.8372  244.764   14.912 1.757446 9.674469 
1 1 1    7   30   18 o  196.498   4.2556  390.436   16.683 0.6684723 8.511282 
1 1 1    7   30   19 o  188.607   4.3733  360.631   16.486 2.966660 8.746687 
1 1 1    7   30   20 o  186.642   4.3846  352.668   16.362 3.316788 8.769159 
1 1 1    7   30   21 o  118.692   5.3372  165.170   8.8961 27.73881 10.67450 
1 1 1    7   30   22 o  101.049   5.5355   99.609   8.2258 -4.907120 11.07100 
1 1 1    7   30   23 o   45.413   8.8691   24.847   8.2238 15.04058 17.73811 
1 1 1    7   31    0 o  151.791   5.4718  231.950   16.611      ?      ? 
1 1 1    7   31    1 o  152.407   5.3484  233.805   16.303      ?      ? 
1 1 1    7   31    2 o   90.015   8.2963   82.417   14.936      ?      ? 
1 1 1    7   31    4 o   84.793   9.9154   73.952   16.815      ?      ? 
1 1 1    7   31    5 o  139.412   6.4888  196.678   18.092      ?      ? 
1 1 1    7   31    6 f  107.510   8.0958  117.709   17.408      ?      ? 
1 1 1    7   31    7 o  131.481   7.0036  175.395   18.417      ?      ? 
1 1 1    7   31    8 o  264.235   5.2012  704.031   27.487      ?      ? 
1 1 1    7   31    9 o  248.653   5.2331  622.942   26.025      ?      ? 
1 1 1    7   31   10 o  166.823   6.1236  280.570   20.431      ?      ? 
1 1 1    7   31   11 o   70.921   13.824   53.818   18.908      ?      ? 
1 1 1    7   31   12 o   57.597   16.071   36.997   19.207      ?      ? 
1 1 1    7   31   13 o  190.902   5.9141  368.577   22.580      ?      ? 
1 1 1    7   31   14 o  188.266   6.0257  358.015   22.689      ?      ? 
1 1 1    7   31   15 o   75.837   8.8810   61.267   13.053 3.209877 17.76195 
1 1 1    7   31   16 o  103.784   6.7485  110.503   13.938 -1.771713 13.49694 
1 1 1    7   31   17 o  101.025   7.1642  105.808   14.416 1.219597 14.32843 
1 1 1    7   31   18 o   46.276   11.902   20.342   14.426 5.928726 23.80402 
1 1 1    7   31   19 o   77.942   9.8263   66.420   14.728 -21.24915 19.65269 
1 1 1    7   31   20 o  129.742   5.7848  171.208   14.988 -9.492188 11.56964 
1 1 1    7   31   21 o  112.313   6.7317  128.349   14.996 7.731033 13.46340 
1 1 1    7   32    0 o  139.097   5.6841  195.258   15.813      ?      ? 
1 1 1    7   32    1 o   91.623   8.0871   85.499   14.819      ?      ? 
1 1 1    7   32    2 o  123.728   6.5035  154.863   16.093      ?      ? 
1 1 1    7   32    3 o  134.984   6.5029  184.211   17.556      ?      ? 
1 1 1    7   32    4 o  191.874   5.3506  370.670   20.533      ?      ? 
1 1 1    7   32    5 o  138.039   6.6505  192.350   18.361      ?      ? 
1 1 1    7   32    6 o  205.977   5.2368  426.562   21.573      ?      ? 
1 1 1    7   32    7 o  161.753   6.0245  263.631   19.490      ?      ? 
1 1 1    7   32    8 o  150.960   6.4709  230.606   19.537      ?      ? 
1 1 1    7   32    9 o  226.420   5.2989  517.959   23.995      ?      ? 
1 1 1    7   32   10 o  185.460   5.7511  347.298   21.332      ?      ? 
1 1 1    7   32   11 o  233.986   5.3267  551.833   24.928      ?      ? 
1 1 1    7   32   12 o   97.910   9.8621   98.789   19.312      ?      ? 
1 1 1    7   32   13 o   83.559   11.882   72.809   19.857      ?      ? 
1 1 1    7   32   14 o  123.368   8.2421  155.558   20.336      ?      ? 
1 1 1    7   32   15 o  106.646   9.5820  117.452   20.438      ?      ? 
1 1 1    7   32   16 o   83.861   8.8504   73.480   14.811 4.152344 17.70078 
1 1 1    7   32   17 o  156.791   5.2112  248.610   16.277 10.83302 10.42233 
1 1 1    7   32   18 o  103.224   7.4556  109.888   15.319 -3.691193 14.91126 
1 1 1    7   32   19 o   50.314   10.480   23.809   13.924 -33.17727 20.96041 
1 1 1    7   32   20 o   39.477   10.537   19.688   13.214 25.44238 21.07466 
1 1 1    7   33    0 o   28.016   12.672  -6.4838   15.173      ?      ? 
1 1 1    7   33    1 f   72.653   10.822   55.062   15.725      ?      ? 
1 1 1    7   33    2 o  191.621   5.1714  370.759   19.819      ?      ? 
1 1 1    7   33    3 o  110.355   7.7826  124.336   17.177      ?      ? 
1 1 1    7   33    4 o  214.788   5.0844  465.082   21.841      ?      ? 
1 1 1    7   33    5 o  211.805   5.1896  452.014   21.984      ?      ? 
1 1 1    7   33    6 o  216.559   5.1976  472.431   22.512      ?      ? 
1 1 1    7   33    7 o  140.468   6.7210  199.911   18.882      ?      ? 
1 1 1    7   33    8 o  162.856   6.0866  268.300   19.825      ?      ? 
1 1 1    7   33    9 o  156.123   6.3642  246.777   19.872      ?      ? 
1 1 1    7   33   10 o  169.839   6.0719  291.708   20.625      ?      ? 
1 1 1    7   33   11 o   75.735   12.585   60.359   19.063      ?      ? 
1 1 1    7   33   12 o   77.876   12.881   64.233   20.062      ?      ? 
1 1 1    7   33   13 o  134.693   7.6874  184.857   20.709      ?      ? 
1 1 1    7   33   14 o   86.158   11.888   77.584   20.486      ?      ? 
1 1 1    7   33   15 o  129.754   8.2139  171.732   21.316      ?      ? 
1 1 1    7   33   16 f  186.148   6.0330  349.720   22.461      ?      ? 
1 1 1    7   33   17 o   87.961   10.085   79.792   17.742      ?      ? 
1 1 1    7   33   18 o   76.211   11.170   98.205   17.025      ?      ? 
1 1 1    7   34    0 o   96.163   8.4197   94.481   16.193      ?      ? 
1 1 1    7   34    1 o   79.659   10.465   65.580   16.672      ?      ? 
1 1 1    7   34    2 o  123.191   7.1249  154.104   17.554      ?      ? 
1 1 1    7   34    3 o  117.498   7.4746  140.397   17.565      ?      ? 
1 1 1    7   34    4 o  152.774   6.1725  236.108   18.860      ?      ? 
1 1 1    7   34    5 o  179.373   5.6511  324.946   20.273      ?      ? 
1 1 1    7   34    6 o  152.637   6.3724  236.052   19.453      ?      ? 
1 1 1    7   34    7 f  203.503   5.4262  418.334   22.085      ?      ? 
1 1 1    7   34    8 o  108.470   8.5409  120.716   18.529      ?      ? 
1 1 1    7   34    9 o   99.135   9.2325  101.075   18.305      ?      ? 
1 1 1    7   34   10 o   93.088   9.9708   89.310   18.563      ?      ? 
1 1 1    7   34   11 o  201.097   5.6578  408.613   22.755      ?      ? 
1 1 1    7   34   12 o  122.796   8.0947  153.725   19.880      ?      ? 
1 1 1    7   34   13 o  191.765   5.8807  370.978   22.554      ?      ? 
1 1 1    7   34   14 o   72.130   13.725   56.269   19.086      ?      ? 
1 1 1    7   34   15 o   28.630   13.194 -10.7037   17.581      ?      ? 
1 1 1    7   35    0 o  133.027   6.5767  179.459   17.498      ?      ? 
1 1 1    7   35    1 o  207.461   5.1399  434.094   21.327      ?      ? 
1 1 1    7   35    2 o  196.376   5.3137  389.118   20.870      ?      ? 
1 1 1    7   35    3 o  125.259   7.2897  159.508   18.262      ?      ? 
1 1 1    7   35    4 o  134.493   6.9200  183.553   18.614      ?      ? 
1 1 1    7   35    5 o  106.027   8.6918  115.073   18.431      ?      ? 
1 1 1    7   35    6 o  166.266   6.0863  279.766   20.239      ?      ? 
1 1 1    7   35    7 o   59.797   15.305   39.864   18.381      ?      ? 
1 1 1    7   35    8 o   80.248   11.347   66.787   18.211      ?      ? 
1 1 1    7   35    9 o  224.305   5.2385  506.679   23.500      ?      ? 
1 1 1    7   35   10 o  108.634   8.3548  120.148   18.152      ?      ? 
1 1 1    7   35   11 o   93.357   9.5556   89.494   17.842      ?      ? 
1 1 1    7   35   12 o  102.697   8.5333  109.306   17.527      ?      ? 
1 1 1    7   36    0 o  114.623   7.2056  133.120   16.519      ?      ? 
1 1 1    7   36    1 o  120.879   6.9604  147.917   16.827      ?      ? 
1 1 1    7   36    2 o  154.091   5.8332  239.495   17.977      ?      ? 
1 1 1    7   36    3 o  134.995   6.4452  184.176   17.401      ?      ? 
1 1 1    7   36    4 o  145.338   6.2074  213.360   18.043      ?      ? 
1 1 1    7   36    5 o  236.327   5.0667  562.420   23.948      ?      ? 
1 1 1    7   36    6 o  106.495   8.2234  115.692   17.515      ?      ? 
1 1 1    7   36    7 f   95.142   8.8464   93.123   16.833      ?      ? 
1 1 1    7   36    8 o  151.274   5.7729  234.290   17.466      ?      ? 
1 1 1    8    0    4 o  270.082   4.4344  730.324   23.939 -0.000000 0.000000 
1 1 1    8    0    5 o  159.134   4.5886  253.970   14.577 -0.000000 0.000000 
1 1 1    8    0    6 o  458.728   6.5129  2107.23   59.726 -0.000000 0.000000 
1 1 1    8    0    7 o  158.538   4.9118  252.170   15.541 -0.000000 0.000000 
1 1 1    8    0    8 o  227.582   3.2428  518.663   14.745 -0.000000 0.000000 
1 1 1    8    0    9 f  556.151   5.5274  3097.13   61.445 -0.000000 0.000000 
1 1 1    8    0   10 o  105.716   5.7868  115.707   11.834 -0.000000 0.000000 
1 1 1    8    0   11 o  521.952   5.2679  2727.86   54.963 -0.000000 0.000000 
1 1 1    8    0   12 o  219.595   3.8056  483.890   16.660 -0.000000 0.000000 
1 1 1    8    0   13 o   76.410   11.446   71.125   14.365 -0.000000 0.000000 
1 1 1    8    0   14 o  353.207   4.1048  1247.69   28.963 -0.000000 0.000000 
1 1 1    8    0   15 o  266.038   3.9480  708.080   20.927 -0.000000 0.000000 
1 1 1    8    0   16 o  479.294   5.0495  2299.03   48.358 -0.000000 0.000000 
1 1 1    8    0   17 o  364.945   4.4367  1333.76   32.357 -0.000000 0.000000 
1 1 1    8    0   18 o  228.398   4.6991  524.061   21.353 -0.000000 0.000000 
1 1 1    8    0   19 o   21.441   10.824 -38.4072   18.879 -0.000000 0.000000 
1 1 1    8    0   20 o  420.470   4.8242  1770.80   40.542 -0.000000 0.000000 
1 1 1    8    0   21 o  243.891   4.6255  596.339   22.518 -0.000000 0.000000 
1 1 1    8    0   22 o  178.926   5.6139  322.742   19.987 -0.000000 0.000000 
1 1 1    8    0   23 o  105.959   9.2358  117.842   19.077 -0.000000 0.000000 
1 1 1    8    0   24 o  100.028   10.918  108.163   18.559 -0.000000 0.000000 
1 1 1    8    0   25 o  117.597   7.9102  142.799   18.234 -0.000000 0.000000 
1 1 1    8    0   26 o   28.390   12.896  -3.5087   17.388 -0.000000 0.000000 
1 1 1    8    0   27 o   23.028   11.271 -15.2561   16.703 -0.000000 0.000000 
1 1 1    8    0   28 o   31.818   13.749   9.9935   16.383 -0.000000 0.000000 
1 1 1    8    0   29 o   22.816   11.262 -28.9317   18.529 -0.000000 0.000000 
1 1 1    8    0   30 o  175.436   5.9303  315.318   20.327 -0.000000 0.000000 
1 1 1    8    0   31 o   50.349   15.593   37.643   16.203 -0.000000 0.000000 
1 1 1    8    0   32 o  109.106   7.9633  125.548   16.898 -0.000000 0.000000 
1 1 1    8    0   33 o  107.934   8.2456  123.569   17.022 -0.000000 0.000000 
1 1 1    8    0   34 o   26.694   12.323  -4.0607   16.434 -0.000000 0.000000 
1 1 1    8    0   35 o   46.021   15.687   32.498   17.420 -0.000000 0.000000 
1 1 1    8    0   36 o   40.013   15.157   23.938   17.661 -0.000000 0.000000 
1 1 1    8    0   37 o   53.757   16.314   42.741   17.790 -0.000000 0.000000 
1 1 1    8    0   38 o   34.327   14.652   14.535   18.043 -0.000000 0.000000 
1 1 1    8    0   39 f   68.612   12.996   59.712   17.635 -0.000000 0.000000 
1 1 1    8    1    3 o  209.259   4.1035  438.201   17.174      ?      ? 
1 1 1    8    1    4 o  333.664   3.5274  1114.39   23.538 -1.392487 7.054728 
1 1 1    8    1    5 o  258.483   3.1040  668.659   16.046 1.728455 6.207932 
1 1 1    8    1    6 o  199.997   3.0888  399.113   12.336 -11.02286 6.177533 
1 1 1    8    1    7 o  319.846   3.5373  1017.29   22.541 23.12534 7.074696 
1 1 1    8    1    8 o  545.875   4.6966  2976.15   48.139 -3.825500 9.393292 
1 1 1    8    1    9 o  521.653   3.6842  2723.24   38.437 -2.004578 7.368345 
1 1 1    8    1   10 o  130.756   3.2455  171.060   8.4857 3.526382 6.491027 
1 1 1    8    1   11 o  295.716   3.6761  874.782   21.741      ?      ? 
1 1 1    8    1   12 o  538.335   3.8449  2899.63   41.392 -4.519958 7.689744 
1 1 1    8    1   13 o  693.487   4.8386  4814.07   67.108 -3.070801 9.677159 
1 1 1    8    1   14 o  228.288   2.8267  520.901   12.886 -3.373718 5.653481 
1 1 1    8    1   15 o  474.295   3.5128  2250.82   33.321 -2.135193 7.025660 
1 1 1    8    1   17 o  227.870   3.2661  519.521   14.884 1.850037 6.532113 
1 1 1    8    1   18 o  458.447   3.5285  2102.73   32.347 5.335358 7.057017 
1 1 1    8    1   19 o  501.903   3.7661  2521.41   37.804 -0.1722107 7.532218 
1 1 1    8    1   20 o   63.144   10.725   41.854   13.411 -6.973843 21.44934 
1 1 1    8    1   21 o   87.729   7.4422   77.378   13.045 4.567772 14.88447 
1 1 1    8    1   22 o   92.944   7.0339   86.931   13.053 -6.013878 14.06777 
1 1 1    8    1   23 o  348.831   3.1565  1218.18   22.021 -3.586334 6.313071 
1 1 1    8    1   24 o   90.748   7.2368   83.113   13.094 -7.168747 14.47359 
1 1 1    8    1   25 o  159.406   4.2275  255.027   13.471 -3.593979 8.455025 
1 1 1    8    1   26 o   41.238   10.804   12.573   12.188 -9.916218 21.60828 
1 1 1    8    1   27 o  153.240   4.0706  235.893   12.465 7.086517 8.141150 
1 1 1    8    1   28 o  181.646   3.5049  331.111   12.732 1.259949 7.009868 
1 1 1    8    1   29 o  211.062   5.0510  447.873   21.321      ?      ? 
1 1 1    8    1   30 o  205.714   4.9343  423.940   20.301      ?      ? 
1 1 1    8    1   31 o   89.431   6.3965   81.240   11.440 -1.499001 12.79302 
1 1 1    8    1   32 o   59.201   9.8557   39.022   11.591 -14.01575 19.71136 
1 1 1    8    1   33 o   52.020   14.838   28.535   16.198      ?      ? 
1 1 1    8    1   34 f   90.271   6.4906   83.691   11.702 3.943443 12.98125 
1 1 1    8    1   35 o  104.267   8.3054  110.269   17.320      ?      ? 
1 1 1    8    1   36 o   61.834   10.231   41.939   12.442 3.870640 20.46224 
1 1 1    8    1   37 o   73.283   8.7712   57.132   12.529 9.475311 17.54238 
1 1 1    8    1   38 o   62.956   10.189   44.107   12.614 11.33862 20.37863 
1 1 1    8    1   39 o   90.644   6.7597   84.257   12.173 1.452606 13.51937 
1 1 1    8    2    3 o  400.870   5.7608  1609.16   46.187      ?      ? 
1 1 1    8    2    4 o  168.843   3.0282  285.020   10.202 -2.220230 6.056429 
1 1 1    8    2    5 o  247.107   3.0668  611.041   15.153 6.860855 6.133589 
1 1 1    8    2    6 o  290.264   3.3165  843.239   19.251 1.345764 6.633005 
1 1 1    8    2    7 o  217.676   3.2794  439.614   13.717 78.90222 6.558770 
1 1 1    8    2    8 o  305.988   3.0297  941.624   17.453 4.763397 6.059429 
1 1 1    8    2    9 o  227.812   2.3616  519.056   10.759 -2.528854 4.723119 
1 1 1    8    2   10 o  224.448   2.4509  503.757   11.000 4.434036 4.901729 
1 1 1    8    2   11 f  252.009   3.6043  635.293   18.166      ?      ? 
1 1 1    8    2   12 o  671.372   4.6859  4511.88   62.920 0.1887207 9.371790 
1 1 1    8    2   13 o  653.363   4.5855  4272.81   59.920 -1.462219 9.171073 
1 1 1    8    2   14 o  392.874   3.0785  1542.49   24.167 -9.733551 6.156940 
1 1 1    8    2   15 o  412.882   3.2268  1704.55   26.632 -7.251343 6.453665 
1 1 1    8    2   17 o  522.085   3.8561  2727.31   40.260 -4.714111 7.712264 
1 1 1    8    2   18 o  403.831   3.3015  1631.68   26.663 2.981964 6.603045 
1 1 1    8    2   19 o  139.387   6.9690  194.590   19.428      ?      ? 
1 1 1    8    2   20 o  151.862   4.5746  231.396   13.868 -8.442520 9.149157 
1 1 1    8    2   21 o  133.538   4.9822  178.701   13.292 8.158112 9.964379 
1 1 1    8    2   22 o  241.921   3.2645  585.822   15.794 2.318298 6.529001 
1 1 1    8    2   23 o   95.734   6.8350   92.303   13.064 -5.880081 13.67001 
1 1 1    8    2   24 o   94.459   6.9907   90.358   13.087 14.26785 13.98139 
1 1 1    8    2   25 o   46.508   11.249   20.241   12.665 5.533836 22.49860 
1 1 1    8    2   26 o  190.755   3.5253  364.904   13.438 9.166641 7.050506 
1 1 1    8    2   27 o   89.870   6.5769   81.707   11.803 -5.358162 13.15376 
1 1 1    8    2   28 o   46.917   10.696   22.299   11.451 -3.097786 21.39169 
1 1 1    8    2   30 o  111.851   8.0363  125.787   17.977      ?      ? 
1 1 1    8    2   31 o   74.741   7.9842   58.632   11.447 -16.55141 15.96845 
1 1 1    8    2   32 o   27.229   8.8996 -12.0773   11.504 -5.562029 17.79921 
1 1 1    8    2   33 o  156.556   5.8389  246.306   18.282      ?      ? 
1 1 1    8    2   34 o   49.209   10.030   24.649   11.667 -26.04218 20.05968 
1 1 1    8    2   35 o  101.105   6.1900  103.852   12.510 2.132607 12.37992 
1 1 1    8    2   36 o   39.624   10.915   11.576   12.481 -1.915150 21.82926 
1 1 1    8    2   37 o   53.404   10.689   31.358   12.556 -18.66754 21.37854 
1 1 1    8    2   38 o   33.938   10.071  -0.8217   12.464 12.46549 20.14252 
1 1 1    8    2   39 o   71.708   8.5997   54.171   12.086 2.119713 17.19931 
1 1 1    8    3    3 o  289.746   4.6102  840.241   26.716      ?      ? 
1 1 1    8    3    4 o  400.779   4.0805  1608.04   32.701 -2.892487 8.161045 
1 1 1    8    3    5 o  190.592   3.0656  364.091   11.656 15.66013 6.131214 
1 1 1    8    3    6 o  208.033   3.1279  416.410   12.760 -45.25792 6.255899 
1 1 1    8    3    7 o  298.939   3.4196  894.370   20.441 1.024139 6.839281 
1 1 1    8    3    8 f  224.717   2.8443  510.280   11.946 6.474792 5.688604 
1 1 1    8    3    9 o  213.654   2.3653  456.505   10.105 5.993362 4.730682 
1 1 1    8    3   10 o  171.419   2.7176  293.865   9.3153 -3.177887 5.435105 
1 1 1    8    3   11 o  623.878   4.3652  3895.82   54.466 -1.762085 8.730319 
1 1 1    8    3   12 o  483.553   3.5225  2339.52   34.066 0.3591614 7.045009 
1 1 1    8    3   13 o  569.211   4.0410  3240.22   45.978 -11.08453 8.081904 
1 1 1    8    3   14 o  353.999   2.9151  1251.82   20.610 -9.298279 5.830193 
1 1 1    8    3   15 o  369.814   3.0358  1367.83   22.448 -4.686249 6.071691 
1 1 1    8    3   16 o  553.856   5.6759  3070.06   62.872      ?      ? 
1 1 1    8    3   17 o  144.863   6.2273  210.048   18.042      ?      ? 
1 1 1    8    3   18 o  243.386   3.2017  590.782   15.559 -16.02742 6.403392 
1 1 1    8    3   19 f  426.923   3.4058  1822.94   29.071 9.677704 6.811646 
1 1 1    8    3   20 o  260.119   3.2187  677.095   16.743 -1.271942 6.437466 
1 1 1    8    3   21 o  227.284   3.3398  517.220   15.177 6.068375 6.679636 
1 1 1    8    3   22 o  167.814   4.0825  282.107   13.701 -3.419662 8.165047 
1 1 1    8    3   23 o  202.113   3.5824  408.687   14.472 -9.776611 7.164860 
1 1 1    8    3   24 f  152.865   6.1307  234.230   18.743      ?      ? 
1 1 1    8    3   25 o  181.244   3.7140  329.342   13.462 -1.921860 7.428092 
1 1 1    8    3   26 o   39.941   10.738   11.624   11.879 -3.032837 21.47634 
1 1 1    8    3   27 o  100.436   5.8454  101.684   11.738 1.511345 11.69071 
1 1 1    8    3   28 f   47.513   10.644   23.104   11.317 0.3791122 21.28756 
1 1 1    8    3   31 f  119.398   4.9624  144.016   11.842 -5.448227 9.924823 
1 1 1    8    3   32 o  130.430   4.8843  173.672   12.731 -5.604462 9.768667 
1 1 1    8    3   33 o   48.025   9.1548   15.761   12.180 -42.37072 18.30970 
1 1 1    8    3   34 o   80.515   7.3798   67.031   11.879 2.000366 14.75967 
1 1 1    8    3   35 o   69.710   9.3466   53.927   12.485 -32.56901 18.69328 
1 1 1    8    3   36 o   37.498   10.386   6.1746   12.510 -14.70298 20.77265 
1 1 1    8    3   37 o   69.309   9.3349   51.918   12.549 22.62164 18.66971 
1 1 1    8    3   38 f   54.942   10.863   33.301   12.557 11.00256 21.72665 
1 1 1    8    3   39 o   79.858   7.7095   66.372   12.190 -11.98719 15.41897 
1 1 1    8    4    3 o  395.698   5.7356  1567.74   45.391      ?      ? 
1 1 1    8    4    4 o  295.330   3.3010  872.701   19.493 9.188080 6.601906 
1 1 1    8    4    5 o  301.432   3.3697  890.634   20.011 -34.46759 6.739492 
1 1 1    8    4    6 o  329.970   3.5877  1067.34   23.327 -37.97925 7.175439 
1 1 1    8    4    7 o  403.309   4.1742  1626.35   33.629 -9.259491 8.348356 
1 1 1    8    4    8 o  213.223   2.9016  459.816   11.555 6.662537 5.803281 
1 1 1    8    4    9 o  289.328   2.4578  837.317   14.222 2.587555 4.915614 
1 1 1    8    4   10 o  190.254   3.6534  362.091   13.902      ?      ? 
1 1 1    8    4   11 o  181.728   2.7861  330.280   10.125 -3.749039 5.572137 
1 1 1    8    4   12 o  255.574   2.6170  653.250   13.375 5.517136 5.234066 
1 1 1    8    4   13 o  334.897   2.8023  1121.01   18.756 -6.986359 5.604669 
1 1 1    8    4   14 o  478.234   3.5127  2288.46   33.598 2.005798 7.025471 
1 1 1    8    4   15 o  173.610   4.9065  301.581   17.036      ?      ? 
1 1 1    8    4   16 o  208.636   4.6611  435.532   19.450      ?      ? 
1 1 1    8    4   17 f  209.388   4.6759  438.664   19.582      ?      ? 
1 1 1    8    4   18 o  484.370   3.6456  2346.34   35.296 -11.26068 7.291289 
1 1 1    8    4   19 o  461.047   3.5474  2126.43   32.701 -7.973480 7.094712 
1 1 1    8    4   20 o  284.415   3.1251  809.334   17.774 -7.510315 6.250297 
1 1 1    8    4   21 o  150.102   4.4575  225.755   13.376 -5.140671 8.915031 
1 1 1    8    4   22 o   88.001   7.2634   77.901   12.780 -0.6428986 14.52686 
1 1 1    8    4   23 o  150.395   4.4300  226.749   13.294 -13.51642 8.859933 
1 1 1    8    4   25 o   51.155   10.828   26.764   12.183 -11.41323 21.65665 
1 1 1    8    4   26 o  207.967   3.2695  433.271   13.594 -8.050140 6.538952 
1 1 1    8    4   27 f   82.947   6.8528   69.619   11.365 1.058434 13.70561 
1 1 1    8    4   28 f  179.422   3.4314  322.850   12.310 5.157013 6.862818 
1 1 1    8    4   30 o  162.614   5.6335  266.031   18.322      ?      ? 
1 1 1    8    4   31 o   91.678   6.2960   85.976   11.415 16.31067 12.59194 
1 1 1    8    4   33 o   24.198   8.2724 -26.3484   12.168 -1.558113 16.54486 
1 1 1    8    4   34 o   57.172   10.284   35.967   11.850 8.340225 20.56712 
1 1 1    8    4   35 o   68.926   9.3484   52.210   12.438 -23.65706 18.69687 
1 1 1    8    4   36 o   37.305   10.579   7.0286   12.519 -9.249931 21.15830 
1 1 1    8    4   37 o   45.126   10.637   18.184   12.429 21.77237 21.27399 
1 1 1    8    4   38 o   55.208   10.842   33.633   12.450 8.190437 21.68465 
1 1 1    8    4   39 f   67.854   9.0741   49.119   12.005 -14.67275 18.14826 
1 1 1    8    5    3 o  547.927   7.6817  3008.60   84.180      ?      ? 
1 1 1    8    5    4 o  474.860   4.7525  2257.74   45.116 -4.700012 9.504971 
1 1 1    8    5    5 o  423.175   4.3072  1791.87   36.426 -6.013855 8.614462 
1 1 1    8    5    6 o  172.948   3.3441  300.822   11.495 9.558258 6.688186 
1 1 1    8    5    7 o  185.220   3.3925  343.587   12.469 1.310303 6.785078 
1 1 1    8    5    8 o  287.221   3.0030  823.224   16.059 -1.979828 6.005910 
1 1 1    8    5    9 o   58.242   8.7837   37.094   9.1802 10.49273 17.56743 
1 1 1    8    5   10 o   54.083   11.080   30.418   11.571      ?      ? 
1 1 1    8    5   11 o  299.194   2.6078  895.296   15.603 3.858795 5.215508 
1 1 1    8    5   12 o  356.037   2.8405  1267.80   20.224 -4.462311 5.681098 
1 1 1    8    5   13 o  431.320   3.2161  1860.99   27.739 3.874603 6.432116 
1 1 1    8    5   14 o   71.364   10.320   51.061   14.730      ?      ? 
1 1 1    8    5   15 o  429.892   3.2770  1848.58   28.172 -8.097717 6.554000 
1 1 1    8    5   16 o  231.647   3.1317  535.941   14.493 8.230301 6.263413 
1 1 1    8    5   18 o  520.246   3.8345  2708.88   39.894 -5.862122 7.668907 
1 1 1    8    5   20 o  206.168   3.5110  425.478   14.475 4.363052 7.021976 
1 1 1    8    5   21 o  154.054   4.3693  237.791   13.454 6.667999 8.738555 
1 1 1    8    5   22 o  136.478   4.8051  187.199   13.076 -11.47522 9.610105 
1 1 1    8    5   23 o  100.759   6.3061  102.029   12.706 0.5625381 12.61222 
1 1 1    8    5   24 o  166.158   4.0480  276.633   13.439 10.25536 8.096015 
1 1 1    8    5   25 o  307.959   3.0126  949.956   18.553 -4.718658 6.025173 
1 1 1    8    5   26 o   36.973   10.409   7.3177   11.609 3.301712 20.81756 
1 1 1    8    5   28 o  164.378   3.6515  271.196   12.001 5.311859 7.302956 
1 1 1    8    5   30 o  115.716   5.0769  135.593   11.738 6.565208 10.15373 
1 1 1    8    5   31 o   47.392   10.510   23.459   11.071 1.181641 21.01961 
1 1 1    8    5   32 f   42.208   9.0558   6.7161   12.003 36.73501 18.11155 
1 1 1    8    5   33 o   32.703   9.9619  -0.7239   11.957 -5.561090 19.92373 
1 1 1    8    5   34 f   36.087   9.7305  -0.7250   12.190 -23.69974 19.46100 
1 1 1    8    5   35 o   87.154   7.2556   78.774   12.610 9.210274 14.51122 
1 1 1    8    5   36 o   34.855   10.405   2.7568   12.570 -3.684578 20.81040 
1 1 1    8    5   37 o   34.717   10.184   1.0580   12.566 -12.53238 20.36760 
1 1 1    8    5   38 o   46.653   10.251   20.266   12.434 -26.70174 20.50244 
1 1 1    8    5   39 f   37.099   9.8027   3.6537   11.733 -23.02828 19.60531 
1 1 1    8    6    2 o  201.468   4.4773  406.169   18.041      ?      ? 
1 1 1    8    6    3 o  256.623   4.5955  659.012   23.586      ?      ? 
1 1 1    8    6    4 f  207.340   3.0825  431.038   12.721 4.643967 6.164944 
1 1 1    8    6    5 o  343.960   3.6893  1184.12   25.372 0.7726440 7.378597 
1 1 1    8    6    6 o  319.514   3.5507  1021.82   22.681 2.452179 7.101373 
1 1 1    8    6    7 f  314.197   3.5635  986.780   22.349 -5.343323 7.126946 
1 1 1    8    6    8 o  150.012   3.6929  238.485   9.7835 20.10411 7.385840 
1 1 1    8    6    9 o  268.107   3.1092  727.929   15.438 8.861969 6.218321 
1 1 1    8    6   10 o  322.880   2.6337  1042.51   17.004 5.760590 5.267361 
1 1 1    8    6   11 o  243.714   2.5494  593.448   12.419 9.191559 5.098808 
1 1 1    8    6   12 o  290.911   2.6006  845.639   15.123 -11.03836 5.201292 
1 1 1    8    6   13 f  141.345   3.5694  200.563   10.057 -9.925400 7.138772 
1 1 1    8    6   14 o  381.717   3.0325  1457.74   23.151 -3.423035 6.065064 
1 1 1    8    6   16 o  179.898   5.1595  323.839   18.564      ?      ? 
1 1 1    8    6   17 o   78.795   7.6543   62.320   12.060 -0.5476379 15.30870 
1 1 1    8    6   18 o  137.389   4.6009  189.132   12.633 -2.966751 9.201813 
1 1 1    8    6   19 o   43.830   11.112   15.473   12.662 10.01025 22.22492 
1 1 1    8    6   20 o  235.478   3.2267  555.068   15.194 -3.258789 6.453337 
1 1 1    8    6   21 o  199.283   3.5581  397.781   14.175 -2.711777 7.116155 
1 1 1    8    6   22 f  205.668   3.4466  423.394   14.172 3.456909 6.893142 
1 1 1    8    6   23 f   26.825   12.667 -21.1301   18.058      ?      ? 
1 1 1    8    6   24 o  218.704   3.3029  479.233   14.445 -4.411835 6.605850 
1 1 1    8    6   25 o  132.380   4.5823  175.923   12.122 -7.462677 9.164515 
1 1 1    8    6   26 o  133.788   4.4692  179.841   11.956 2.192368 8.938377 
1 1 1    8    6   27 o  145.395   4.0761  212.326   11.848 5.641708 8.152129 
1 1 1    8    6   28 o   43.479   10.062   16.941   11.180 -19.38658 20.12472 
1 1 1    8    6   30 o   34.374   9.9910   4.8957   11.038 -0.5226173 19.98193 
1 1 1    8    6   31 o   32.326   9.4280  -3.3711   11.171 -16.36791 18.85591 
1 1 1    8    6   32 o  183.721   3.6439  337.845   13.377 -10.48483 7.287833 
1 1 1    8    6   33 f   34.971   10.163   2.6734   11.995 -11.21568 20.32608 
1 1 1    8    6   34 o   44.547   11.001   18.764   12.144 6.915047 22.00269 
1 1 1    8    6   35 o   26.215   8.7767 -21.8036   12.429 7.726606 17.55340 
1 1 1    8    6   36 o   42.871   11.123   16.815   12.615 -4.463554 22.24639 
1 1 1    8    6   37 o   39.827   10.926   11.534   12.553 8.133663 21.85188 
1 1 1    8    6   38 o   57.691   10.618   36.588   12.348 1.553661 21.23611 
1 1 1    8    6   39 o   41.447   10.736   17.042   11.719 -6.036919 21.47182 
1 1 1    8    7    2 o  439.275   6.3170  1932.02   55.498      ?      ? 
1 1 1    8    7    3 o  281.745   4.7468  794.341   26.748      ?      ? 
1 1 1    8    7    4 o  505.742   5.0346  2560.91   50.911 -5.096344 10.06916 
1 1 1    8    7    5 o  472.467   4.7454  2235.10   44.840 1.993683 9.490807 
1 1 1    8    7    6 o  234.392   3.2457  548.229   15.140 -6.041992 6.491426 
1 1 1    8    7    7 o  326.650   3.6626  1067.82   23.905 0.4587402 7.325294 
1 1 1    8    7    8 o  599.247   5.1631  3570.86   57.653 -11.08118 10.32629 
1 1 1    8    7    9 o  378.293   3.5901  1436.92   25.408 3.831970 7.180246 
1 1 1    8    7   10 o  163.159   4.1191  266.308   13.441      ?      ? 
1 1 1    8    7   11 o  170.042   2.8868  289.164   9.8087 -9.898453 5.773538 
1 1 1    8    7   12 o  604.812   4.2500  3661.18   51.408 -1.123657 8.499906 
1 1 1    8    7   13 o  242.507   2.7623  588.272   13.397 -1.543900 5.524640 
1 1 1    8    7   14 o  904.052   6.2490  8187.55  112.974 -8.660950 12.49792 
1 1 1    8    7   16 o  777.943   5.4158  6060.15   84.256 6.180420 10.83158 
1 1 1    8    7   17 o  309.638   2.9386  959.309   18.198 0.7955627 5.877279 
1 1 1    8    7   20 o  120.822   5.2443  146.174   12.660 7.732964 10.48864 
1 1 1    8    7   21 f   89.244   7.1484   80.740   12.653 -9.934349 14.29675 
1 1 1    8    7   22 o   89.497   7.0445   80.369   12.576 9.195190 14.08892 
1 1 1    8    7   23 o  169.695   3.9211  288.285   13.295 3.024429 7.842124 
1 1 1    8    7   24 o  142.761   4.3701  204.697   12.469 -4.277390 8.740206 
1 1 1    8    7   25 o  127.669   4.7273  163.804   12.060 -5.808136 9.454546 
1 1 1    8    7   26 o  101.315   5.7665  104.134   11.606 -10.80285 11.53292 
1 1 1    8    7   27 o   93.683   5.9635   89.158   11.097 -5.471977 11.92692 
1 1 1    8    7   28 o  116.918   6.8542  138.059   16.028      ?      ? 
1 1 1    8    7   30 o   40.695   10.344   14.841   10.741 1.533165 20.68885 
1 1 1    8    7   31 o   34.747   9.8032   3.3467   11.298 14.27809 19.60646 
1 1 1    8    7   32 o  143.817   5.9278  207.569   17.050      ?      ? 
1 1 1    8    7   33 o  100.229   5.9139  102.169   11.834 7.820374 11.82778 
1 1 1    8    7   34 o  120.084   5.2511  145.254   12.586 6.758873 10.50212 
1 1 1    8    7   35 o   90.048   7.0363   83.097   12.656 5.444504 14.07254 
1 1 1    8    7   36 o  143.513   4.5436  207.977   12.998 4.567871 9.087249 
1 1 1    8    7   37 o  156.441   4.2066  246.827   13.129 5.301132 8.413177 
1 1 1    8    7   38 f   87.397   7.0409   77.802   12.227 14.12357 14.08183 
1 1 1    8    8    2 o  235.023   4.6103  552.689   21.670      ?      ? 
1 1 1    8    8    3 o  675.080   9.3624  4568.40  126.407      ?      ? 
1 1 1    8    8    4 o  388.453   4.0390  1510.43   31.376 4.616302 8.077924 
1 1 1    8    8    5 o  650.314   6.3839  4236.11   82.995 -10.46637 12.76779 
1 1 1    8    8    6 o  880.786   8.5872  7779.84  151.146 -20.58521 17.17447 
1 1 1    8    8    7 o  270.277   3.4487  731.651   18.614 17.15735 6.897394 
1 1 1    8    8    8 o  508.695   4.4709  2579.25   42.444 -5.740356 8.941817 
1 1 1    8    8    9 o  427.130   3.9325  1816.87   31.244 -5.451599 7.865039 
1 1 1    8    8   10 o  877.343   7.4346  7687.93  122.266 -8.562500 14.86922 
1 1 1    8    8   11 o  344.806   2.7954  1189.21   19.273 -1.773468 5.590863 
1 1 1    8    8   12 o   60.730   8.1709   39.772   9.5002 27.29781 16.34171 
1 1 1    8    8   14 o  512.734   5.3009  2630.84   54.359      ?      ? 
1 1 1    8    8   15 o  289.373   4.1089  837.704   23.780      ?      ? 
1 1 1    8    8   16 o  451.042   3.4178  2035.87   30.831 -0.3850098 6.835526 
1 1 1    8    8   17 o  225.914   3.0347  510.475   13.709 -5.009491 6.069313 
1 1 1    8    8   18 o  242.031   3.0623  585.561   14.815 -10.24988 6.124542 
1 1 1    8    8   19 o  169.934   3.8125  289.136   12.957 -0.3714294 7.624979 
1 1 1    8    8   20 o  200.391   3.4704  402.309   13.896 -9.610641 6.940775 
1 1 1    8    8   21 o  172.530   3.8762  298.083   13.369 1.737640 7.752350 
1 1 1    8    8   22 o  256.883   3.1004  660.752   15.924 -1.485260 6.200729 
1 1 1    8    8   23 o  231.650   4.6095  537.438   21.356      ?      ? 
1 1 1    8    8   24 o  184.714   3.5628  342.212   13.152 -2.302551 7.125700 
1 1 1    8    8   25 o  171.373   3.6641  294.597   12.553 -1.682648 7.328137 
1 1 1    8    8   26 o   73.825   7.6440   55.540   11.243 -4.004204 15.28798 
1 1 1    8    8   27 o  142.229   4.0451  201.590   11.455 12.68451 8.090108 
1 1 1    8    8   28 o   22.472   10.942 -27.6882   15.762      ?      ? 
1 1 1    8    8   29 o   79.793   9.5120   64.674   15.180      ?      ? 
1 1 1    8    8   30 o   98.921   5.6434   98.685   11.066 3.264565 11.28670 
1 1 1    8    8   31 o  141.571   4.2909  203.276   12.128 11.80925 8.581784 
1 1 1    8    8   32 o   87.315   9.7773   77.653   17.074      ?      ? 
1 1 1    8    8   33 o   23.135   7.9482 -29.4030   11.570 6.879036 15.89632 
1 1 1    8    8   34 f   96.066   6.4897   95.115   12.304 -9.039055 12.97937 
1 1 1    8    8   35 o  152.341   4.3785  234.290   13.308 2.773468 8.757078 
1 1 1    8    8   36 o   86.721   7.1547   78.045   12.334 -4.740654 14.30946 
1 1 1    8    8   37 o   33.246   10.071  -0.6476   12.123 8.490950 20.14278 
1 1 1    8    8   38 o  111.649   5.5192  126.296   12.297 4.305153 11.03846 
1 1 1    8    9    1 o  233.424   4.6685  545.187   21.795      ?      ? 
1 1 1    8    9    2 o  184.523   4.8897  340.702   18.045      ?      ? 
1 1 1    8    9    3 o  308.970   4.9895  955.247   30.832      ?      ? 
1 1 1    8    9    4 o  283.724   3.3505  805.343   18.970 -0.6119690 6.700919 
1 1 1    8    9    5 o  199.233   3.3048  397.641   13.072 2.063919 6.609674 
1 1 1    8    9    6 o  119.700   4.8918  148.927   11.182 18.88961 9.783519 
1 1 1    8    9    7 o  381.897   4.0856  1459.32   31.183 -1.655243 8.171112 
1 1 1    8    9    8 f  443.189   4.0273  1945.64   32.987 -11.51151 8.054554 
1 1 1    8    9    9 o  682.182   5.8640  4617.01   74.316 -16.83203 11.72806 
1 1 1    8    9   10 f  266.133   3.3089  701.781   15.959 -5.987793 6.617805 
1 1 1    8    9   11 o  132.445   3.6242  175.607   9.5842 1.035614 7.248472 
1 1 1    8    9   12 o  263.772   2.6988  696.051   14.213 0.3360596 5.397696 
1 1 1    8    9   13 o  432.884   4.6823  1874.93   40.538      ?      ? 
1 1 1    8    9   14 o  224.452   4.1140  503.997   18.468      ?      ? 
1 1 1    8    9   15 o  180.641   4.7991  326.516   17.338      ?      ? 
1 1 1    8    9   16 o  356.883   3.0029  1274.33   21.433 4.721771 6.005808 
1 1 1    8    9   18 o  364.431   3.0799  1329.11   22.448 -0.9716797 6.159779 
1 1 1    8    9   19 o  344.180   3.0538  1185.62   21.020 -0.8954773 6.107525 
1 1 1    8    9   20 o  146.368   4.3390  214.790   12.692 -2.565842 8.677994 
1 1 1    8    9   21 f  164.550   3.9470  271.758   12.966 -9.418060 7.894067 
1 1 1    8    9   22 o  376.764   3.1708  1421.25   23.892 -4.518890 6.341590 
1 1 1    8    9   23 f  106.220   5.7936  114.197   12.194 -16.70715 11.58729 
1 1 1    8    9   24 o   32.720   9.9142  -0.5193   11.599 -0.6956482E-01 19.82833 
1 1 1    8    9   25 o  139.515   4.2285  195.340   11.793 -2.236313 8.457062 
1 1 1    8    9   26 o   89.280   6.2031   80.657   11.066 -4.258423 12.40614 
1 1 1    8    9   27 o  123.652   4.5400  154.127   11.209 -2.593765 9.079958 
1 1 1    8    9   29 o   49.405   10.347   26.630   11.061 -7.375675 20.69307 
1 1 1    8    9   30 o   42.116   10.069   16.232   11.036 -15.83604 20.13736 
1 1 1    8    9   31 o  157.519   4.1157  251.232   12.792 -30.38397 8.231439 
1 1 1    8    9   32 o   59.531   9.8566   38.856   11.512 -1.293655 19.71314 
1 1 1    8    9   33 o   27.234   8.9324 -12.4062   11.504 1.386496 17.86483 
1 1 1    8    9   34 o   23.101   7.9966 -30.7778   12.054 4.340897 15.99323 
1 1 1    8    9   35 o   37.890   10.735   8.9009   12.209 4.034439 21.46971 
1 1 1    8    9   36 o   71.476   8.7725   53.830   12.218 9.839386 17.54499 
1 1 1    8    9   37 o   30.755   9.7199  -4.9149   12.078 1.252859 19.43974 
1 1 1    8    9   38 o   43.938   15.024   19.492   15.882      ?      ? 
1 1 1    8   10    1 o  754.015   10.426  5701.08  157.229      ?      ? 
1 1 1    8   10    2 o  524.456   7.4232  2754.36   77.863      ?      ? 
1 1 1    8   10    3 o  308.889   5.0861  954.731   31.421      ?      ? 
1 1 1    8   10    4 o  573.153   5.6668  3281.78   64.818 -20.67682 11.33369 
1 1 1    8   10    5 o  353.402   3.8371  1250.26   27.110 7.677979 7.674177 
1 1 1    8   10    6 o  513.262   5.1560  2634.42   52.862 -11.23914 10.31206 
1 1 1    8   10    7 o  606.504   6.0117  3683.70   72.905 -4.817566 12.02342 
1 1 1    8   10    8 o  261.433   3.2930  689.890   15.523 5.471375 6.586096 
1 1 1    8   10    9 o  528.433   4.6570  2791.66   46.039 -1.784363 9.313917 
1 1 1    8   10   10 o  477.070   4.3175  2247.57   37.804 -15.70892 8.635037 
1 1 1    8   10   11 o  307.629   5.9229  947.166   36.441      ?      ? 
1 1 1    8   10   12 o  274.413   2.7445  753.766   15.048 14.03812 5.488962 
1 1 1    8   10   13 o   19.788   6.9583 -38.1174   10.737 -0.9085445 13.91664 
1 1 1    8   10   14 o  403.759   4.4845  1631.05   36.213      ?      ? 
1 1 1    8   10   15 f  446.415   3.3641  1994.28   30.035 3.426514 6.728254 
1 1 1    8   10   16 f  144.873   4.0515  210.404   11.720 -8.229996 8.103053 
1 1 1    8   10   17 o  124.015   4.7914  153.960   11.879 2.841751 9.582752 
1 1 1    8   10   18 o  182.182   3.5463  332.428   12.915 -3.927277 7.092563 
1 1 1    8   10   19 o  173.231   3.7360  300.688   12.935 -6.526062 7.472035 
1 1 1    8   10   20 o  198.137   3.3954  392.981   13.450 7.392563 6.790806 
1 1 1    8   10   21 f  161.641   3.9402  261.813   12.730 7.145538 7.880422 
1 1 1    8   10   22 o  144.629   4.3370  209.844   12.538 -4.327896 8.673940 
1 1 1    8   10   23 o  161.661   3.8607  262.170   12.480 1.361404 7.721466 
1 1 1    8   10   24 o  134.364   4.4036  181.254   11.822 0.5676270E-01 8.807156 
1 1 1    8   10   25 o   42.505   10.535   16.621   11.086 -0.7512856 21.07067 
1 1 1    8   10   26 o   88.974   6.2194   80.832   10.898 18.07968 12.43885 
1 1 1    8   10   27 o   48.285   10.512   24.388   11.189 5.506748 21.02349 
1 1 1    8   10   28 o  208.599   4.6332  435.896   19.330      ?      ? 
1 1 1    8   10   29 o  100.470   5.4392  102.675   10.864 -7.923225 10.87838 
1 1 1    8   10   30 o   66.613   8.7505   47.753   11.233 2.506882 17.50092 
1 1 1    8   10   32 o   24.297   8.2262 -20.5788   11.291 0.7963982 16.45249 
1 1 1    8   10   34 f  111.464   5.6073  126.363   12.394 1.272308 11.21460 
1 1 1    8   10   35 o   43.006   10.961   17.050   11.939 6.030323 21.92253 
1 1 1    8   10   36 o   36.963   10.500   8.1768   12.051 -4.454311 20.99964 
1 1 1    8   10   37 f   60.804   10.222   40.089   12.124 3.841305 20.44312 
1 1 1    8   10   38 o   42.766   11.980   15.031   15.191 -7.680992 23.96012 
1 1 1    8   11    0 f  671.088   9.2766  4512.37  124.509      ?      ? 
1 1 1    8   11    1 o  240.930   4.8707  580.783   23.470      ?      ? 
1 1 1    8   11    2 o  190.456   5.1040  362.945   19.442      ?      ? 
1 1 1    8   11    3 o  201.004   5.0992  404.257   20.499      ?      ? 
1 1 1    8   11    4 o  221.367   3.4103  495.746   14.915 34.69542 6.820649 
1 1 1    8   11    5 o  326.580   3.7101  1068.27   24.209 12.46359 7.420238 
1 1 1    8   11    6 o  352.886   3.8857  1244.25   27.330 -6.257996 7.771384 
1 1 1    8   11    7 o  228.050   3.6344  515.568   16.195 -9.558853 7.268858 
1 1 1    8   11    8 o  395.019   6.2444  1561.90   49.333      ?      ? 
1 1 1    8   11    9 o  278.171   3.3924  778.819   16.856 3.756714 6.784863 
1 1 1    8   11   10 o  190.442   6.9185  363.105   26.352      ?      ? 
1 1 1    8   11   11 o  296.464   3.5678  904.286   19.381 21.80908 7.135588 
1 1 1    8   11   12 o  357.141   2.9441  1275.60   21.024 -5.243683 5.888256 
1 1 1    8   11   14 o  268.373   2.8401  720.469   15.242 -6.014496 5.680110 
1 1 1    8   11   15 o  583.906   4.1635  3412.18   48.612 -8.206726 8.327059 
1 1 1    8   11   16 o  336.958   2.9528  1135.96   19.897 2.933228 5.905623 
1 1 1    8   11   17 o  162.137   3.7717  263.379   12.219 -7.965607 7.543334 
1 1 1    8   11   18 o  388.848   3.1452  1512.20   24.447 9.347351 6.290347 
1 1 1    8   11   19 o   75.415   7.7633   57.254   11.705 -0.1243668 15.52657 
1 1 1    8   11   20 o  128.876   4.6778  166.537   12.046 7.205620 9.355617 
1 1 1    8   11   21 o  234.723   4.3967  551.619   20.640      ?      ? 
1 1 1    8   11   22 o   80.017   7.4242   65.577   11.624 -19.29832 14.84834 
1 1 1    8   11   23 o  252.871   2.9589  639.692   14.955 -9.379517 5.917811 
1 1 1    8   11   24 o   43.551   10.208   16.544   11.149 -17.60983 20.41623 
1 1 1    8   11   25 o  208.031   3.1168  433.968   12.966 4.457184 6.233677 
1 1 1    8   11   26 o   37.244   9.8283   7.4120   10.956 -16.67292 19.65657 
1 1 1    8   11   28 o  125.425   4.3794  159.030   10.983 -2.488953 8.758901 
1 1 1    8   11   29 o   29.017   9.1012  -4.8356   10.577 3.752535 18.20248 
1 1 1    8   11   30 f  102.916   8.1985  107.880   16.875      ?      ? 
1 1 1    8   11   32 o  100.053   5.8346  102.332   11.566 -1.329735 11.66926 
1 1 1    8   11   33 o   37.585   10.539   8.9875   11.779 -0.4405212E-01 21.07734 
1 1 1    8   11   34 o   69.041   9.2559   53.175   12.159 -21.07283 18.51186 
1 1 1    8   11   35 o   85.751   6.9933   75.264   11.940 6.806900 13.98669 
1 1 1    8   11   36 o   29.633   9.4308  -7.0148   11.865 -2.831457 18.86168 
1 1 1    8   11   37 o   99.680   6.0738  101.122   12.004 17.68056 12.14750 
1 1 1    8   12    0 o  422.717   4.3495  1770.27   36.448 -30.67206 8.699068 
1 1 1    8   12    1 o  347.255   5.4910  1206.68   38.136      ?      ? 
1 1 1    8   12    2 o  342.076   5.4590  1170.95   37.348      ?      ? 
1 1 1    8   12    3 o  680.307   9.4854  4637.85  129.060      ?      ? 
1 1 1    8   12    4 o  909.882   8.8808  8226.40  160.319 -68.68610 17.76166 
1 1 1    8   12    5 o  440.648   4.5511  1942.15   40.039 -5.584686 9.102104 
1 1 1    8   12    6 o  451.818   4.6668  2037.30   42.019 -15.46652 9.333632 
1 1 1    8   12    7 o  757.564   7.4337  5740.48  112.397 -27.57477 14.86731 
1 1 1    8   12    8 o  275.868   3.3211  763.498   16.481 1.775909 6.642293 
1 1 1    8   12    9 o  186.154   6.9582  346.947   25.906      ?      ? 
1 1 1    8   12   10 o  198.773   4.3318  452.314   14.394 59.78416 8.663549 
1 1 1    8   12   11 o  131.147   10.028  172.416   26.303      ?      ? 
1 1 1    8   12   12 o  650.481   5.6580  4210.04   68.510 -11.35663 11.31596 
1 1 1    8   12   13 o  282.613   2.8082  799.112   15.872 -1.147888 5.616452 
1 1 1    8   12   14 o  339.000   2.9090  1149.77   19.723 -2.279297 5.818007 
1 1 1    8   12   15 o  226.143   4.2142  511.725   19.060      ?      ? 
1 1 1    8   12   16 o  290.257   2.8649  843.060   16.631 -0.5683899 5.729804 
1 1 1    8   12   17 o  565.053   4.0612  3197.00   45.889 6.549438 8.122442 
1 1 1    8   12   18 o  380.858   3.0967  1451.51   23.583 6.632050 6.193348 
1 1 1    8   12   19 o  249.311   2.9117  622.165   14.518 1.767227 5.823418 
1 1 1    8   12   20 o   92.175   6.2389   85.344   11.497 0.8382645 12.47771 
1 1 1    8   12   21 o  168.483   3.6607  284.462   12.333 -0.4483032E-01 7.321378 
1 1 1    8   12   22 o   86.647   6.6183   76.375   11.312 16.80594 13.23668 
1 1 1    8   12   23 o  122.297   4.6392  150.261   11.342 4.823158 9.278414 
1 1 1    8   12   24 o  156.527   3.7122  246.142   11.599 -11.42799 7.424315 
1 1 1    8   12   25 o   83.203   6.6512   70.398   11.023 -6.215897 13.30239 
1 1 1    8   12   26 o  217.136   3.1504  472.284   13.665 13.07796 6.300756 
1 1 1    8   12   27 o   26.187   12.287 -17.0988   16.406      ?      ? 
1 1 1    8   12   28 o   39.362   9.4732   10.401   10.530 -22.72273 18.94631 
1 1 1    8   12   29 o  127.242   4.4520  162.871   11.308 9.032372 8.904012 
1 1 1    8   12   31 o   23.355   7.9809 -24.8230   11.373 -2.471876 15.96183 
1 1 1    8   12   32 o  213.522   3.2311  457.347   13.753 4.253708 6.462252 
1 1 1    8   12   33 o   80.395   7.5813   67.024   12.158 5.001564 15.16255 
1 1 1    8   12   34 o  148.310   4.3429  220.385   12.803 12.65207 8.685845 
1 1 1    8   12   35 o   40.084   10.825   13.474   12.077 -1.610855 21.65026 
1 1 1    8   12   36 o   35.743   10.042   5.0047   11.814 -12.93837 20.08448 
1 1 1    8   12   37 o   37.515   10.433   9.5299   11.587 4.503296 20.86697 
1 1 1    8   13    0 o  273.102   3.3514  744.857   18.266 25.30591 6.702860 
1 1 1    8   13    1 o  327.149   3.6291  1071.39   23.734 6.004242 7.258100 
1 1 1    8   13    2 o  379.933   5.7617  1444.67   43.781      ?      ? 
1 1 1    8   13    3 o  383.931   5.8453  1475.27   44.884      ?      ? 
1 1 1    8   13    4 o  481.492   4.8642  2317.13   46.752 -12.42267 9.728403 
1 1 1    8   13    5 o  494.259   4.9915  2441.92   49.251 -12.60770 9.982902 
1 1 1    8   13    6 o  285.062   3.6433  815.813   20.702 20.96982 7.286602 
1 1 1    8   13    7 o  188.311   4.0776  364.658   14.870 25.95676 8.155257 
1 1 1    8   13    8 o  175.411   6.8917  308.063   24.178      ?      ? 
1 1 1    8   13   10 o  334.351   3.5622  1108.39   21.737 -7.311310 7.124412 
1 1 1    8   13   11 o  170.525   8.0936  291.321   27.603      ?      ? 
1 1 1    8   13   12 o  332.425   3.7004  1093.19   22.219 -8.835236 7.400818 
1 1 1    8   13   13 o  216.434   4.1709  468.695   18.055      ?      ? 
1 1 1    8   13   14 f  124.035   4.4500  154.059   11.038 -2.578026 8.899972 
1 1 1    8   13   15 o  332.599   2.8965  1106.64   19.264 7.387451 5.793013 
1 1 1    8   13   17 o   99.346   7.8080   99.010   15.514      ?      ? 
1 1 1    8   13   18 o  279.500   2.8367  781.628   15.854 -7.817902 5.673375 
1 1 1    8   13   19 o   26.157   8.5539 -17.5807   10.974 9.974005 17.10788 
1 1 1    8   13   20 o  124.882   6.3047  156.391   15.747      ?      ? 
1 1 1    8   13   21 o   76.967   7.0648   59.909   10.842 7.376938 14.12964 
1 1 1    8   13   22 o  239.620   2.8957  574.823   13.874 -5.685959 5.791467 
1 1 1    8   13   23 o   50.069   10.111   26.300   10.714 -7.529526 20.22153 
1 1 1    8   13   24 o   55.812   9.6145   33.406   10.713 -10.03500 19.22897 
1 1 1    8   13   25 o  148.497   3.9170  222.091   11.600 -12.93797 7.834076 
1 1 1    8   13   27 o   35.924   10.108   7.7196   11.045 -4.781326 20.21699 
1 1 1    8   13   28 o   67.865   8.2599   48.642   10.824 -12.52842 16.51973 
1 1 1    8   13   30 o   58.783   9.8449   37.211   11.369 1.744045 19.68986 
1 1 1    8   13   31 o  106.530   5.3859  114.633   11.371 5.658401 10.77180 
1 1 1    8   13   32 o   29.584   9.4227  -7.4151   11.767 0.1175327 18.84550 
1 1 1    8   13   33 o   25.462   8.5893 -21.6623   12.087 4.533968 17.17867 
1 1 1    8   13   34 o   28.827   9.3105 -10.1055   12.140 -2.150816 18.62096 
1 1 1    8   13   35 o  113.009   5.4793  129.246   12.289 5.691780 10.95869 
1 1 1    8   13   36 o  116.749   5.1919  137.789   12.079 3.796707 10.38370 
1 1 1    8   13   37 o   26.811   9.1591 -24.1289   14.689 -6.066677 18.31813 
1 1 1    8   14    0 o  190.251   3.4944  367.654   13.097 26.97226 6.988877 
1 1 1    8   14    1 o  245.665   3.3271  604.443   16.294 3.209763 6.654241 
1 1 1    8   14    2 o  455.366   4.6357  2072.09   42.143 -12.62637 9.271415 
1 1 1    8   14    3 o  142.436   6.5940  203.094   18.784      ?      ? 
1 1 1    8   14    4 o  243.245   3.4211  596.570   16.482 16.34203 6.842290 
1 1 1    8   14    5 o  428.181   4.4541  1835.60   38.135 6.649536 8.908216 
1 1 1    8   14    6 o  274.592   3.7864  744.682   20.494 65.90727 7.572806 
1 1 1    8   14    7 o  653.625   6.4768  4280.06   84.639 -6.367859 12.95364 
1 1 1    8   14    8 o  238.786   3.8740  552.508   17.986 -30.80452 7.747932 
1 1 1    8   14    9 o  273.617   3.4930  751.030   17.124 1.642395 6.986008 
1 1 1    8   14   10 f   83.498   8.0577   64.209   11.860 -14.22093 16.11531 
1 1 1    8   14   11 o  221.536   3.7565  499.260   14.865 8.246368 7.512954 
1 1 1    8   14   12 o  401.459   6.4498  1613.82   51.787      ?      ? 
1 1 1    8   14   13 o  479.904   4.4178  2286.98   39.200 -10.24524 8.835533 
1 1 1    8   14   14 o  545.104   3.9172  2974.61   42.699 -5.533997 7.834457 
1 1 1    8   14   15 o  505.092   3.6889  2554.35   37.265 -0.6145020 7.377841 
1 1 1    8   14   16 o  227.369   2.9134  517.399   13.248 2.112198 5.826881 
1 1 1    8   14   17 o   73.301   7.2466   54.055   10.535 12.62186 14.49316 
1 1 1    8   14   18 o  239.873   4.1299  575.992   19.813      ?      ? 
1 1 1    8   14   20 o  206.051   3.0375  425.218   12.515 2.157623 6.075087 
1 1 1    8   14   21 o  170.818   3.3133  292.353   11.318 1.702637 6.626587 
1 1 1    8   14   22 o  112.847   4.6825  128.176   10.540 -9.923706 9.365067 
1 1 1    8   14   23 o  120.292   4.5231  145.845   10.859 -7.143539 9.046218 
1 1 1    8   14   24 o  137.041   4.0528  188.508   11.101 4.776703 8.105561 
1 1 1    8   14   25 o  157.830   5.3400  250.087   16.856      ?      ? 
1 1 1    8   14   26 f  108.334   5.3319  118.720   11.492 -7.626900 10.66375 
1 1 1    8   14   27 o   92.854   5.9422   87.557   10.981 -1.949974 11.88440 
1 1 1    8   14   28 o  158.239   3.6355  252.694   11.490 -7.180237 7.270973 
1 1 1    8   14   30 o   25.504   8.3030 -17.5852   10.765 -10.69148 16.60600 
1 1 1    8   14   31 o   43.619   10.692   18.520   11.360 0.1139030 21.38415 
1 1 1    8   14   32 o   84.432   7.1077   74.147   11.936 -3.020309 14.21550 
1 1 1    8   14   33 o  144.253   4.3869  210.488   12.584 0.5583038 8.773884 
1 1 1    8   14   34 o   35.002   10.327   4.4421   12.134 -3.205097 20.65384 
1 1 1    8   14   35 o  113.541   5.4421  131.623   12.250 -1.741356 10.88427 
1 1 1    8   14   36 o   84.989   7.4914   73.422   12.631 9.269478 14.98281 
1 1 1    8   15    0 o  427.405   4.4323  1820.88   37.798 26.20963 8.864694 
1 1 1    8   15    1 o  231.696   3.5455  532.864   16.211 52.92500 7.091022 
1 1 1    8   15    2 o  455.388   4.6806  2064.92   42.431 -24.04507 9.361191 
1 1 1    8   15    3 o  309.815   3.6976  960.198   22.863 27.22903 7.395186 
1 1 1    8   15    4 o  227.689   3.5897  519.093   15.994 0.7537842 7.179386 
1 1 1    8   15    5 o  229.360   3.6081  484.244   15.699 -57.57109 7.216234 
1 1 1    8   15    6 o  279.783   3.6470  741.990   19.507 -48.28120 7.294090 
1 1 1    8   15    7 o  219.652   3.8500  474.976   16.359 -13.55313 7.700046 
1 1 1    8   15    8 o  149.291   5.4759  238.683   15.130 34.23625 10.95187 
1 1 1    8   15    9 o  618.294   5.3891  3795.23   61.772 -14.59296 10.77812 
1 1 1    8   15   10 f  443.483   4.1140  1975.90   34.153 4.691833 8.227938 
1 1 1    8   15   11 o  185.768   7.0645  345.678   26.247      ?      ? 
1 1 1    8   15   12 o  486.741   4.4065  2372.06   40.158 -0.1336365 8.813028 
1 1 1    8   15   13 o  275.133   3.4740  767.377   17.549 9.068176 6.947924 
1 1 1    8   15   14 f  157.377   4.5198  249.811   12.714 2.502319 9.039545 
1 1 1    8   15   15 o   74.863   6.7000   56.701   9.9614 -6.922043 13.39996 
1 1 1    8   15   16 o   60.821   8.6452   38.565   10.149 6.199963 17.29034 
1 1 1    8   15   17 o   80.603   6.4460   65.170   10.336 11.46880 12.89201 
1 1 1    8   15   18 o  243.657   2.8109  594.260   13.692 0.5881958 5.621881 
1 1 1    8   15   19 o  275.143   2.7695  758.006   15.237 1.898010 5.538914 
1 1 1    8   15   20 o   79.447   6.3878   63.749   10.124 -3.182907 12.77568 
1 1 1    8   15   21 o  156.688   3.4435  245.657   10.780 7.575195 6.886960 
1 1 1    8   15   22 o   62.397   8.3685   40.665   10.178 -7.782764 16.73697 
1 1 1    8   15   23 o  117.101   4.5648  137.797   10.684 4.871407 9.129663 
1 1 1    8   15   25 o  100.334   8.0058  101.071   16.065      ?      ? 
1 1 1    8   15   26 o   29.318   9.0010  -4.0877   10.353 -8.183895 18.00192 
1 1 1    8   15   27 o  138.103   3.9949  191.692   11.021 4.019760 7.989782 
1 1 1    8   15   29 o   90.062   8.6808   82.743   15.636      ?      ? 
1 1 1    8   15   30 f   54.813   9.9037   32.772   10.899 6.293713 19.80735 
1 1 1    8   15   31 f   96.340   6.0167   93.917   11.569 6.433479 12.03342 
1 1 1    8   15   32 o  106.224   5.6065  114.495   11.879 3.276329 11.21301 
1 1 1    8   15   33 o  114.595   5.3494  135.152   12.084 -10.15356 10.69877 
1 1 1    8   15   34 o  116.459   5.2466  137.797   12.180 1.906815 10.49314 
1 1 1    8   15   35 o  143.191   4.2846  207.178   12.256 -2.780518 8.569282 
1 1 1    8   15   36 o   39.192   10.931   10.389   12.597 13.95254 21.86210 
1 1 1    8   16    0 f  326.292   3.7342  1056.44   24.266 35.23975 7.468469 
1 1 1    8   16    1 o  480.250   4.8715  2306.69   46.737 -9.762390 9.742992 
1 1 1    8   16    2 o  481.023   4.8973  2315.54   47.104 11.77548 9.794624 
1 1 1    8   16    3 o  411.962   3.8086  1640.29   28.097 -30.94492 7.617113 
1 1 1    8   16    4 o  169.699   3.9799  281.408   13.041 -14.73549 7.959741 
1 1 1    8   16    5 o  296.864   3.6853  883.038   21.746 3.113770 7.370698 
1 1 1    8   16    6 o  230.715   3.7041  533.357   16.709 1.194519 7.408258 
1 1 1    8   16    7 o  112.126   6.2471  119.848   13.448 -18.91605 12.49425 
1 1 1    8   16    8 o  515.995   5.2795  2663.90   54.451 19.98892 10.55909 
1 1 1    8   16    9 o  322.142   3.5520  1054.25   21.000 12.55295 7.103981 
1 1 1    8   16   10 o  523.244   4.6641  2731.54   45.447 -5.301208 9.328136 
1 1 1    8   16   11 o  250.420   3.4456  628.318   15.572 0.6626892 6.891261 
1 1 1    8   16   12 o  151.924   4.5878  231.428   12.040 0.3887939 9.175603 
1 1 1    8   16   13 o  312.875   3.4905  978.155   19.897 -1.328308 6.980937 
1 1 1    8   16   14 o  130.026   5.4629  183.399   12.111 21.79735 10.92577 
1 1 1    8   16   15 o  140.047   3.6191  196.308   10.127 1.964432 7.238239 
1 1 1    8   16   16 o   68.778   7.6577   49.737   9.9483 -20.01609 15.31543 
1 1 1    8   16   17 o  309.098   3.9233  956.398   24.253      ?      ? 
1 1 1    8   16   18 o   77.425   6.5207   60.822   10.017 -10.26227 13.04132 
1 1 1    8   16   19 o  152.765   3.4276  233.884   10.472 0.8361969 6.855150 
1 1 1    8   16   20 o   70.382   7.3121   51.035   9.7600 22.19226 14.62428 
1 1 1    8   16   21 o  283.702   2.7396  806.086   15.538 3.842712 5.479228 
1 1 1    8   16   22 o  260.713   3.9779  681.289   20.742      ?      ? 
1 1 1    8   16   23 o  230.271   2.8957  532.038   13.329 -0.4061737 5.791498 
1 1 1    8   16   24 o  230.705   4.3137  532.847   19.904      ?      ? 
1 1 1    8   16   25 o  127.646   4.3879  165.199   11.153 -13.36301 8.775726 
1 1 1    8   16   26 f  230.860   2.9061  534.992   13.408 -11.39290 5.812192 
1 1 1    8   16   27 o  167.976   3.5608  285.635   11.870 -27.48392 7.121698 
1 1 1    8   16   29 o   37.580   10.295   10.589   10.980 1.166439 20.58942 
1 1 1    8   16   30 o  136.870   4.2617  187.271   11.615 11.48035 8.523320 
1 1 1    8   16   31 o   24.716   8.3030 -20.0530   11.452 -3.905092 16.60597 
1 1 1    8   16   32 o   28.425   9.1578  -8.6503   11.435 2.072636 18.31566 
1 1 1    8   16   33 o   36.863   10.401   8.9275   11.603 -1.844952 20.80283 
1 1 1    8   16   34 o   40.192   10.611   14.133   11.532 -3.061081 21.22247 
1 1 1    8   16   35 o   73.750   8.2915   57.640   11.829 10.64410 16.58307 
1 1 1    8   17    0 o  411.655   4.3297  1695.44   35.590 -5.579315 8.659361 
1 1 1    8   17    1 o  433.927   4.5022  1884.72   39.035 -4.207672 9.004391 
1 1 1    8   17    2 o  360.653   3.9534  1302.72   28.492 4.861664 7.906723 
1 1 1    8   17    3 o  151.343   4.0470  243.062   9.9813 16.14104 8.094062 
1 1 1    8   17    4 o  408.593   3.7701  1657.15   28.319 -8.392639 7.540279 
1 1 1    8   17    5 o  208.126   4.0287  449.795   16.065 63.32100 8.057408 
1 1 1    8   17    6 o  221.568   3.8383  494.186   16.524 5.509613 7.676625 
1 1 1    8   17    7 f  271.387   3.8533  742.160   20.682 13.63159 7.706584 
1 1 1    8   17    8 o  271.939   3.8411  739.524   20.582 -1.697815 7.682206 
1 1 1    8   17    9 o  339.714   3.5377  1165.80   22.194 8.326416 7.075456 
1 1 1    8   17   10 o  139.194   4.8550  195.997   11.557 2.720505 9.710002 
1 1 1    8   17   11 o  203.423   3.7122  419.682   13.302 5.714951 7.424317 
1 1 1    8   17   12 o  355.596   3.5979  1261.74   23.560 -3.012726 7.195771 
1 1 1    8   17   13 o   41.145   10.751   14.087   11.326 3.625679 21.50144 
1 1 1    8   17   14 o  177.076   4.1081  327.569   12.962 17.53900 8.216257 
1 1 1    8   17   15 o  178.805   4.1698  324.285   13.305 5.043152 8.339691 
1 1 1    8   17   17 o  113.941   4.2894  130.263   9.7729 3.079765 8.578754 
1 1 1    8   17   18 o  194.583   2.8343  379.233   11.028 4.204300 5.668531 
1 1 1    8   17   19 o  200.697   2.8108  403.498   11.282 -2.930893 5.621572 
1 1 1    8   17   20 f  190.040   2.9255  361.915   11.107 0.3781738 5.850908 
1 1 1    8   17   21 o  228.126   2.7563  521.779   12.569 -3.144104 5.512599 
1 1 1    8   17   22 o   49.021   9.7104   25.743   9.9861 -7.004929 19.42072 
1 1 1    8   17   24 o   28.241   8.9058  -6.1015   10.493 -4.423056 17.81166 
1 1 1    8   17   25 o  177.079   3.2233  315.246   11.399 -4.580109 6.446572 
1 1 1    8   17   26 o  113.145   4.7024  129.745   10.622 9.664185 9.404901 
1 1 1    8   17   27 o  128.146   4.3666  165.899   11.104 16.74152 8.733288 
1 1 1    8   17   28 o   35.952   9.3801   4.9862   10.478 -20.94475 18.76021 
1 1 1    8   17   29 o   24.623   8.2421 -17.0763   10.812 1.109386 16.48429 
1 1 1    8   17   30 o   22.720   7.7784 -27.8161   11.371 -4.445555 15.55682 
1 1 1    8   17   31 o   46.263   9.8478   22.193   11.353 -23.44881 19.69551 
1 1 1    8   17   32 f   69.688   8.4973   50.838   11.542 10.02020 16.99468 
1 1 1    8   17   33 o   48.425   10.555   24.008   11.547 15.53517 21.11031 
1 1 1    8   17   34 o   90.495   6.4375   83.581   11.582 0.2731934 12.87508 
1 1 1    8   17   35 o   40.321   10.371   17.120   11.509 -15.10411 20.74224 
1 1 1    8   18    0 o  342.983   3.8571  1178.62   26.429 8.235107 7.714186 
1 1 1    8   18    1 f  399.716   4.2468  1590.80   33.854 31.65121 8.493604 
1 1 1    8   18    2 o  368.643   4.0169  1358.51   29.587 22.54303 8.033726 
1 1 1    8   18    3 o   92.722   6.6389  101.894   8.9356 25.68698 13.27786 
1 1 1    8   18    4 o  141.184   7.6465  199.764   21.591      ?      ? 
1 1 1    8   18    5 o  285.189   3.2781  796.876   16.181 -11.76517 6.556293 
1 1 1    8   18    6 f  259.690   3.6949  678.905   18.808 7.651596 7.389793 
1 1 1    8   18    7 o  248.449   3.7362  618.396   18.116 0.7790985 7.472374 
1 1 1    8   18    8 f  309.813   3.8403  962.099   23.634 2.850586 7.680529 
1 1 1    8   18    9 o  232.845   3.8041  548.551   17.428 15.39508 7.608284 
1 1 1    8   18   10 o  319.583   3.4243  1031.58   20.266 7.707306 6.848661 
1 1 1    8   18   11 o  257.811   3.3734  670.468   15.750 4.703186 6.746723 
1 1 1    8   18   12 o  240.485   3.4263  586.240   14.866 7.068375 6.852532 
1 1 1    8   18   13 o  258.580   3.4056  679.070   16.081 9.293549 6.811215 
1 1 1    8   18   14 o  136.204   4.8936  183.378   11.803 -4.033737 9.787246 
1 1 1    8   18   15 o   23.736   8.1985 -26.1059   11.421 -3.644606 16.39705 
1 1 1    8   18   16 o  243.521   3.4696  592.834   15.195 -1.268982 6.939247 
1 1 1    8   18   17 o  303.609   2.6554  922.848   16.122 4.680725 5.310775 
1 1 1    8   18   18 f  179.013   2.8843  321.109   10.324 -4.275940 5.768696 
1 1 1    8   18   19 o   71.646   6.4408   52.718   9.0719 -12.63573 12.88167 
1 1 1    8   18   20 o  212.658   2.6885  453.607   11.420 -4.638184 5.376938 
1 1 1    8   18   21 o  138.623   3.4928  194.274   9.6119 -9.932892 6.985667 
1 1 1    8   18   23 o  171.122   3.4010  293.298   11.468 2.304718 6.802009 
1 1 1    8   18   24 o   36.322   9.2762   9.7447   9.5875 -14.06991 18.55232 
1 1 1    8   18   25 o   43.520   9.8887   19.545   9.9617 -7.644051 19.77735 
1 1 1    8   18   26 o  220.857   4.2804  488.684   18.907      ?      ? 
1 1 1    8   18   27 o  137.511   5.8522  190.963   16.095      ?      ? 
1 1 1    8   18   28 o  127.507   4.4422  164.570   11.283 -0.6269379 8.884338 
1 1 1    8   18   29 o   82.744   6.8385   69.705   11.257 1.521240 13.67707 
1 1 1    8   18   30 o   51.887   10.525   28.908   11.421 6.041763 21.04948 
1 1 1    8   18   31 o  121.731   4.8485  149.552   11.718 4.634735 9.697024 
1 1 1    8   18   32 o   46.750   10.574   23.547   11.601 -11.22997 21.14773 
1 1 1    8   18   33 o  103.666   5.7050  110.815   11.654 -8.945953 11.40999 
1 1 1    8   18   34 o   40.944   10.160   14.862   11.143 -14.64293 20.31988 
1 1 1    8   19    0 o  463.493   4.7323  2149.89   43.807 -9.444641 9.464664 
1 1 1    8   19    1 f  341.937   3.7931  1165.30   25.782 -13.40353 7.586263 
1 1 1    8   19    2 o  205.979   3.1792  423.168   11.229 -1.294144 6.358456 
1 1 1    8   19    3 o  156.389   3.7778  252.752   9.7157 9.055023 7.555686 
1 1 1    8   19    4 o  287.803   3.1846  832.289   16.367 2.622162 6.369217 
1 1 1    8   19    5 o  339.786   3.3938  1145.79   20.790 -6.581696 6.787553 
1 1 1    8   19    6 o  379.986   3.6319  1428.11   25.048 -10.72052 7.263789 
1 1 1    8   19    7 o  189.544   3.9440  365.142   14.273 9.923157 7.888041 
1 1 1    8   19    8 o  147.394   4.7004  223.566   12.948 11.81451 9.400867 
1 1 1    8   19    9 o   58.998   10.267   38.552   11.856 14.62801 20.53327 
1 1 1    8   19   10 o  293.121   3.3421  852.130   17.570 -6.122833 6.684258 
1 1 1    8   19   11 f  301.815   3.3884  917.149   18.579 4.113800 6.776879 
1 1 1    8   19   12 o  420.221   3.9507  1754.97   30.576 -8.328003 7.901312 
1 1 1    8   19   13 o   76.128   9.3280   82.492   10.895 49.19278 18.65597 
1 1 1    8   19   14 o  268.492   3.3890  713.076   16.283 -7.464142 6.777927 
1 1 1    8   19   15 o  278.798   3.3787  779.244   17.076 0.4371033 6.757428 
1 1 1    8   19   16 o  182.794   3.7853  331.667   12.170 -3.657700 7.570662 
1 1 1    8   19   17 o   41.866   10.181   17.133   10.526 9.456047 20.36160 
1 1 1    8   19   18 o   42.003   9.1128   18.136   8.4622 -5.210331 18.22551 
1 1 1    8   19   19 o  103.987   4.2571  108.050   8.8266 8.755447 8.514235 
1 1 1    8   19   20 o   41.115   12.944   17.341   11.859      ?      ? 
1 1 1    8   19   23 o   83.998   5.5670   71.859   9.1780 -3.218605 11.13397 
1 1 1    8   19   24 o  140.631   3.6736  196.330   10.203 11.13284 7.347153 
1 1 1    8   19   25 o  125.190   4.3428  158.068   10.809 -5.089432 8.685643 
1 1 1    8   19   26 o   45.889   10.318   22.027   10.649 2.765278 20.63583 
1 1 1    8   19   27 o   98.084   5.4663   98.212   10.668 -2.710136 10.93253 
1 1 1    8   19   28 o  106.991   5.1829  113.585   10.990 16.80293 10.36575 
1 1 1    8   19   29 o   73.759   8.3388   61.964   11.126 -26.77583 16.67756 
1 1 1    8   19   30 o   57.000   9.7547   34.508   11.009 15.50209 19.50948 
1 1 1    8   19   31 o   74.393   7.6391   56.381   11.242 12.49677 15.27819 
1 1 1    8   19   32 o   65.984   8.9543   46.811   11.343 4.366436 17.90854 
1 1 1    8   19   33 o   65.450   8.7031   44.986   11.126 11.81509 17.40624 
1 1 1    8   20    0 o  475.555   4.8537  2266.86   46.163 3.490906 9.707412 
1 1 1    8   20    1 o  231.809   3.4792  539.876   16.069 12.40398 6.958302 
1 1 1    8   20    2 o  282.749   3.0727  814.768   15.894 13.11636 6.145483 
1 1 1    8   20    3 o  460.617   4.1139  2103.31   34.894 -11.86218 8.227839 
1 1 1    8   20    4 o  319.305   3.2659  1024.50   18.942 2.988983 6.531717 
1 1 1    8   20    5 o  137.673   4.2803  193.891   9.1649 4.774796 8.560684 
1 1 1    8   20    6 o  105.721   5.2508  102.907   8.8399 -14.11909 10.50155 
1 1 1    8   20    7 o  263.238   3.5340  691.937   18.225 -3.709930 7.068020 
1 1 1    8   20    8 o  190.216   3.8093  368.603   13.747 10.77531 7.618629 
1 1 1    8   20    9 o  318.542   3.7632  1018.14   23.854 5.634796 7.526360 
1 1 1    8   20   10 o  303.482   3.3370  913.809   18.221 -6.168701 6.673913 
1 1 1    8   20   11 o  252.467   5.7135  638.851   28.849      ?      ? 
1 1 1    8   20   12 o  355.721   3.5484  1264.74   23.175 -2.116730 7.096730 
1 1 1    8   20   13 o  158.582   4.0073  248.434   10.837 -4.374481 8.014628 
1 1 1    8   20   14 o   90.908   6.4901   80.554   10.145 -5.493095 12.98026 
1 1 1    8   20   15 o  282.448   3.2871  799.769   16.891 0.3916931 6.574220 
1 1 1    8   20   16 o  163.708   3.9461  268.285   11.329 -0.6309052 7.892152 
1 1 1    8   20   17 o  138.352   4.6286  198.622   11.060 9.245071 9.257178 
1 1 1    8   20   18 o  235.436   3.3730  551.221   14.325 -4.491501 6.745987 
1 1 1    8   20   19 o  142.552   4.5003  204.077   12.831      ?      ? 
1 1 1    8   20   21 o  160.240   3.2679  255.651   10.342 8.518463 6.535752 
1 1 1    8   20   22 o   29.877   8.5590   0.8827   8.8800 -11.47007 17.11792 
1 1 1    8   20   23 f   88.211   5.2664   78.015   9.2076 5.943535 10.53290 
1 1 1    8   20   24 o   23.115   7.7355 -18.8815   9.9604 -5.001396 15.47097 
1 1 1    8   20   25 o   40.873   8.8589   9.3606   10.277 32.52455 17.71775 
1 1 1    8   20   26 o   44.250   9.9980   20.354   9.9277 4.733231 19.99601 
1 1 1    8   20   27 o  103.805   5.0404  106.774   10.361 15.47515 10.08079 
1 1 1    8   20   28 o   28.257   12.912  -9.3422   16.445      ?      ? 
1 1 1    8   20   29 o   96.063   5.8217   92.611   11.075 11.88266 11.64336 
1 1 1    8   20   30 o   50.714   10.228   27.813   10.757 5.656143 20.45683 
1 1 1    8   20   31 o  103.222   5.4552  108.896   11.136 -2.953125 10.91048 
1 1 1    8   20   32 o  103.526   5.5170  108.572   11.405 4.315544 11.03401 
1 1 1    8   20   33 o  113.193   4.8628  132.689   10.997 -1.790848 9.725603 
1 1 1    8   21    0 o  297.596   3.6043  885.668   21.431 18.69321 7.208615 
1 1 1    8   21    1 o  356.008   3.9058  1269.75   27.784 0.8459473E-01 7.811649 
1 1 1    8   21    2 f  367.774   3.4492  1370.06   23.775 12.55331 6.898450 
1 1 1    8   21    3 o  508.710   4.4574  2599.49   42.621 3.527557 8.914824 
1 1 1    8   21    4 o  274.827   3.1261  773.279   15.409 14.49686 6.252125 
1 1 1    8   21    5 o  315.757   3.2836  959.459   18.061 -24.48767 6.567257 
1 1 1    8   21    6 o  183.527   3.3510  282.718   9.8878 -49.95633 6.701931 
1 1 1    8   21    7 o  337.871   3.3715  1143.91   20.768 0.7265320 6.743019 
1 1 1    8   21    8 o  172.536   3.9080  284.118   12.569 -21.73741 7.815903 
1 1 1    8   21    9 o  166.908   4.6089  315.740   13.513 75.37167 9.217720 
1 1 1    8   21   10 o  275.677   3.5686  757.565   19.298 -7.507172 7.137126 
1 1 1    8   21   11 f  119.547   4.8764  143.435   9.6687 0.7038879E-01 9.752775 
1 1 1    8   21   12 o  171.169   3.6214  296.454   10.669 3.373108 7.242803 
1 1 1    8   21   13 f  158.930   3.8099  247.493   10.210 -6.549393 7.619718 
1 1 1    8   21   14 o  107.362   5.4212  117.199   9.5275 2.280655 10.84249 
1 1 1    8   21   15 o   45.010   10.374   14.390   9.4129 -23.67463 20.74741 
1 1 1    8   21   16 f  296.937   3.3032  874.848   17.759 -7.218567 6.606322 
1 1 1    8   21   17 o  283.848   3.2903  804.855   16.943 -2.591309 6.580672 
1 1 1    8   21   19 o  197.931   6.7829  392.827   26.851      ?      ? 
1 1 1    8   21   20 o   76.385   6.1403   62.938   8.8170 -25.35095 12.28062 
1 1 1    8   21   21 o  118.896   3.7004  141.927   8.7918 4.317741 7.400899 
1 1 1    8   21   22 o  102.211   4.4001  105.410   8.9859 1.049965 8.800260 
1 1 1    8   21   23 o  151.525   3.3851  230.697   10.214 -17.35970 6.770194 
1 1 1    8   21   24 o   27.509   8.3125 -11.0737   9.6445 17.10128 16.62506 
1 1 1    8   21   25 o   32.339   9.2503   5.4668   9.2723 2.332977 18.50068 
1 1 1    8   21   26 o   82.236   5.9804   68.389   9.8165 5.079109 11.96089 
1 1 1    8   21   27 o   37.585   9.7481   11.902   10.135 -10.62047 19.49618 
1 1 1    8   21   28 o   88.227   6.5449   84.127   10.908 -23.06296 13.08982 
1 1 1    8   21   29 o   31.472   9.5640  -4.3581   11.122 14.08321 19.12810 
1 1 1    8   21   30 o   71.247   7.8336   51.946   11.066 7.782387 15.66721 
1 1 1    8   21   31 o   61.205   9.3308   40.530   11.081 2.443748 18.66152 
1 1 1    8   21   32 o   44.179   10.262   20.539   10.694 -7.936729 20.52480 
1 1 1    8   22    0 o  503.969   5.1128  2546.20   51.508 11.70911 10.22560 
1 1 1    8   22    1 o  404.657   4.2872  1632.95   34.592 25.86444 8.574343 
1 1 1    8   22    2 o  388.310   3.5909  1516.62   26.028 4.784668 7.181758 
1 1 1    8   22    3 o  263.448   3.0403  657.728   13.637 -26.33687 6.080613 
1 1 1    8   22    4 o  449.996   4.0321  2032.84   33.970 2.486603 8.064247 
1 1 1    8   22    5 o  270.792   3.1107  738.130   14.873 3.179138 6.221317 
1 1 1    8   22    6 o  129.523   7.8521  168.619   20.340      ?      ? 
1 1 1    8   22    7 f  309.635   3.2180  955.611   17.841 -3.339661 6.435930 
1 1 1    8   22    8 o  283.866   3.1193  813.053   15.826 4.727509 6.238499 
1 1 1    8   22    9 o  159.435   3.8622  250.904   11.205 -5.828888 7.724354 
1 1 1    8   22   10 o  129.094   4.5378  168.983   10.500 3.172440 9.075558 
1 1 1    8   22   11 o   33.994   9.4319   7.8493   8.4558 -1.440269 18.86376 
1 1 1    8   22   12 o   88.585   6.2113   84.386   8.7477 10.38023 12.42253 
1 1 1    8   22   13 o  171.458   3.5523  291.903   10.254 -2.982452 7.104668 
1 1 1    8   22   14 o  114.269   4.9734  128.429   9.2508 -4.160408 9.946834 
1 1 1    8   22   15 f   52.837   10.063   26.313   9.2427 -10.71755 20.12663 
1 1 1    8   22   16 o   66.529   9.0598   68.118   9.5503 46.45946 18.11958 
1 1 1    8   22   17 o  312.959   5.8701  982.321   36.742      ?      ? 
1 1 1    8   22   18 o  114.596   10.582  132.589   24.253      ?      ? 
1 1 1    8   22   19 o   32.164   10.000  -1.5208   10.335 -11.46624 20.00003 
1 1 1    8   22   20 o  231.633   3.3678  532.028   13.936 -6.252991 6.735641 
1 1 1    8   22   21 o   36.725   9.1091   12.410   8.6163 -9.554293 18.21819 
1 1 1    8   22   23 o   96.427   4.9053   94.444   9.4096 -11.69567 9.810588 
1 1 1    8   22   24 o  144.686   3.4001  211.480   9.7849 -17.98665 6.800211 
1 1 1    8   22   25 o   93.372   5.2234   88.744   9.6749 -5.984856 10.44689 
1 1 1    8   22   26 o  105.328   4.8104  112.855   10.093 -0.4465408 9.620711 
1 1 1    8   22   27 o   29.389   9.0351  -2.7235   10.022 7.596397 18.07027 
1 1 1    8   22   28 o   49.595   9.8109   27.221   10.281 -9.426952 19.62187 
1 1 1    8   22   29 o   58.276   9.3842   36.789   10.676 7.804039 18.76834 
1 1 1    8   22   30 o   72.662   7.8471   54.792   11.058 14.45844 15.69422 
1 1 1    8   22   31 o   97.974   5.5380   97.218   10.808 5.693848 11.07610 
1 1 1    8   23    0 o  167.580   3.8788  280.380   12.967 -10.69441 7.757551 
1 1 1    8   23    1 o  291.320   3.0521  844.031   16.151 -4.836548 6.104227 
1 1 1    8   23    2 o  168.779   3.3115  297.890   9.1753 13.28729 6.622917 
1 1 1    8   23    3 o  176.314   3.1902  305.648   9.0600 -5.371887 6.380450 
1 1 1    8   23    4 o  312.412   3.1486  979.997   17.875 1.825897 6.297147 
1 1 1    8   23    5 o  342.933   3.3105  1180.79   20.807 1.926208 6.620994 
1 1 1    8   23    6 o  137.739   3.6733  177.032   7.4090 -13.81435 7.346587 
1 1 1    8   23    7 o  231.439   2.9975  531.935   11.465 -3.325592 5.994983 
1 1 1    8   23    8 o  122.299   4.2455  147.256   7.4507 -3.060448 8.490971 
1 1 1    8   23    9 o  267.644   3.0431  708.060   13.999 -6.823395 6.086112 
1 1 1    8   23   10 o   35.143   9.7223   3.5489   8.7849 -19.56847 19.44464 
1 1 1    8   23   11 o   45.434   9.8599   21.419   9.2422 1.779823 19.71984 
1 1 1    8   23   12 o   82.145   6.1733   62.854   8.3640 -10.94282 12.34669 
1 1 1    8   23   13 o   43.150   10.089   16.367   8.5842 -10.32185 20.17774 
1 1 1    8   23   14 o   69.928   9.1201   69.677   9.1829 38.47946 18.24017 
1 1 1    8   23   15 o  244.894   6.0937  602.744   29.846      ?      ? 
1 1 1    8   23   16 o  376.134   6.2970  1418.09   47.370      ?      ? 
1 1 1    8   23   17 o   54.862   17.821   32.104   22.344      ?      ? 
1 1 1    8   23   18 o  152.163   4.2565  230.842   10.904 -2.227402 8.513083 
1 1 1    8   23   19 o  110.304   5.5188  120.419   10.279 -3.929382 11.03750 
1 1 1    8   23   20 o  138.225   4.5074  187.709   10.975 -9.298370 9.014891 
1 1 1    8   23   21 o   32.303   14.746 -13.9943   21.387      ?      ? 
1 1 1    8   23   22 o  129.385   3.7194  168.906   9.6139 -6.449196 7.438816 
1 1 1    8   23   23 o  112.235   4.2292  127.485   9.4816 -2.837715 8.458391 
1 1 1    8   23   24 o  100.430   7.1313  101.894   14.324      ?      ? 
1 1 1    8   23   25 o   21.492   7.3090 -20.2089   9.4380 -4.159729 14.61795 
1 1 1    8   23   26 o   33.668   9.4791   6.9123   9.6502 -2.562550 18.95828 
1 1 1    8   23   27 o  101.229   5.0195  104.008   10.131 0.8624039 10.03898 
1 1 1    8   23   28 o  179.217   3.2315  323.739   11.565 -3.861526 6.463028 
1 1 1    8   23   29 o  102.294   5.2939  106.370   10.826 2.713554 10.58787 
1 1 1    8   23   30 o   79.529   6.6060   64.959   10.386 15.48891 13.21196 
1 1 1    8   24    0 f  315.421   3.6105  997.359   22.773 7.239868 7.220913 
1 1 1    8   24    1 o  157.355   3.3164  259.361   8.5000 12.66231 6.632807 
1 1 1    8   24    2 o  223.873   2.8748  493.624   10.935 -6.892700 5.749677 
1 1 1    8   24    3 f  202.188   2.9333  413.075   9.8788 3.363907 5.866609 
1 1 1    8   24    4 f  134.271   3.6287  176.988   7.2282 -3.979996 7.257472 
1 1 1    8   24    5 o  153.805   3.3095  233.668   7.5408 -3.110321 6.618952 
1 1 1    8   24    6 o  283.237   3.0073  792.731   14.924 -7.866333 6.014551 
1 1 1    8   24    7 o  221.702   2.9148  486.084   10.567 -4.790375 5.829526 
1 1 1    8   24    8 o   52.703   8.3505   34.666   5.8543 15.34930 16.70107 
1 1 1    8   24    9 f   79.358   5.7533   55.161   6.2075 -14.08986 11.50661 
1 1 1    8   24   10 o   23.445   7.9610 -11.7297   6.4388 -17.50872 15.92198 
1 1 1    8   24   11 o   96.740   5.5599   95.054   9.2124 1.650116 11.11984 
1 1 1    8   24   12 o   49.239   7.6367   36.165   8.3024 39.10023 15.27339 
1 1 1    8   24   13 o  183.006   6.3395  336.667   23.203      ?      ? 
1 1 1    8   24   14 o  345.940   5.8692  1199.15   40.607      ?      ? 
1 1 1    8   24   15 o  198.720   3.6873  418.472   12.553 22.52460 7.374625 
1 1 1    8   24   16 o  192.369   5.9686  372.802   22.963      ?      ? 
1 1 1    8   24   17 o   64.935   8.4310   43.962   9.1021 1.527298 16.86192 
1 1 1    8   24   18 o   59.326   9.2269   37.187   9.5048 1.747330 18.45376 
1 1 1    8   24   19 o   32.983   10.065  -1.7963   10.109 -15.78842 20.13030 
1 1 1    8   24   20 o  213.769   3.6566  466.756   13.467 7.995438 7.313131 
1 1 1    8   24   21 o  112.052   5.4210  120.320   10.651 -12.40826 10.84207 
1 1 1    8   24   22 o   26.425   8.8943 -22.6424   10.941 -15.77043 17.78862 
1 1 1    8   24   23 o  129.739   5.2643  169.244   13.660      ?      ? 
1 1 1    8   24   24 o   40.368   9.1052   15.974   9.3368 -18.41219 18.21040 
1 1 1    8   24   25 o   73.589   6.6774   56.946   9.5710 -11.30989 13.35482 
1 1 1    8   24   26 o  226.631   2.8086  514.303   12.676 8.429428 5.617125 
1 1 1    8   24   27 f   71.534   7.1680   53.077   10.187 -2.733521 14.33596 
1 1 1    8   24   28 o  155.497   3.6417  243.878   11.306 -1.212982 7.283406 
1 1 1    8   24   29 o  101.636   7.3596  104.844   14.960      ?      ? 
1 1 1    8   25    0 o  214.494   3.2014  458.117   13.576 -9.441742 6.402871 
1 1 1    8   25    1 o  157.966   5.6627  250.621   17.890      ?      ? 
1 1 1    8   25    2 o  211.019   2.8293  446.979   9.9759 0.8649597 5.658651 
1 1 1    8   25    3 o  161.132   3.1346  262.362   7.6380 2.195663 6.269262 
1 1 1    8   25    4 o  220.199   4.9996  486.638   22.018      ?      ? 
1 1 1    8   25    5 o  181.505   5.4865  330.899   19.917      ?      ? 
1 1 1    8   25    6 o  131.225   6.9116  173.406   18.140      ?      ? 
1 1 1    8   25    7 o  201.757   5.3384  408.762   21.541      ?      ? 
1 1 1    8   25    8 o   79.325   11.391   64.190   18.073      ?      ? 
1 1 1    8   25    9 o   20.867   10.433 -52.3245   18.687      ?      ? 
1 1 1    8   25   10 o   22.520   11.197 -47.5151   19.647      ?      ? 
1 1 1    8   25   11 o  463.577   6.9099  2157.12   64.066      ?      ? 
1 1 1    8   25   12 o  359.721   3.8535  1295.20   27.724      ?      ? 
1 1 1    8   25   13 o   33.863   14.971  -4.7931   19.978      ?      ? 
1 1 1    8   25   14 o   94.033   5.6248   84.281   8.6409 -9.009697 11.24951 
1 1 1    8   25   15 o  130.057   4.2398  158.712   9.2347 -15.72555 8.479674 
1 1 1    8   25   16 o  175.521   3.4556  310.919   10.464 1.876358 6.911234 
1 1 1    8   25   17 o  227.210   5.5413  522.600   25.181      ?      ? 
1 1 1    8   25   18 o  153.259   7.4195  236.059   22.742      ?      ? 
1 1 1    8   25   19 o  133.034   8.5287  180.446   22.692      ?      ? 
1 1 1    8   25   20 o  118.271   5.1103  139.705   10.240 -2.728256 10.22068 
1 1 1    8   25   21 o  105.690   5.7292  106.224   10.668 -13.50960 11.45838 
1 1 1    8   25   22 f  189.596   3.7450  366.647   12.719 6.341232 7.490066 
1 1 1    8   25   23 o   96.749   6.6594   95.607   11.487 0.2070160 13.31883 
1 1 1    8   25   24 o  251.597   2.6606  636.040   13.378 -2.442551 5.321261 
1 1 1    8   25   25 o  104.752   4.6766  112.087   9.7232 -8.938866 9.353203 
1 1 1    8   25   26 o   37.943   9.7483   12.526   9.6958 7.939594 19.49658 
1 1 1    8   25   27 o   73.247   6.9969   55.192   10.145 14.00536 13.99379 
1 1 1    8   25   28 o   88.418   5.6243   79.699   9.9264 3.730003 11.24853 
1 1 1    8   26    0 o  144.740   3.1520  218.785   7.1818 10.04849 6.303974 
1 1 1    8   26    1 f   83.335   5.0796   75.060   5.8084 8.836525 10.15920 
1 1 1    8   26    2 o  172.893   5.1527  300.173   17.817      ?      ? 
1 1 1    8   26    3 o  200.518   4.9561  403.707   19.876      ?      ? 
1 1 1    8   26    4 o  160.327   5.8296  258.626   18.693      ?      ? 
1 1 1    8   26    5 o  257.848   5.1973  668.557   26.802      ?      ? 
1 1 1    8   26    6 o  535.894   7.7381  2906.47   82.936      ?      ? 
1 1 1    8   26    7 o  117.822   8.9154  140.171   21.009      ?      ? 
1 1 1    8   26    8 o  295.683   5.5897  876.134   33.056      ?      ? 
1 1 1    8   26    9 o  399.626   6.2015  1600.79   49.566      ?      ? 
1 1 1    8   26   10 o  215.185   5.7922  465.054   24.928      ?      ? 
1 1 1    8   26   11 o   40.157   16.172   9.7292   19.962      ?      ? 
1 1 1    8   26   12 o  274.179   5.3724  755.912   29.460      ?      ? 
1 1 1    8   26   13 o  233.084   3.5919  547.570   16.670 6.868942 7.183766 
1 1 1    8   26   14 o   31.189   8.8726   6.3401   7.3231 -1.007809 17.74511 
1 1 1    8   26   15 o   29.679   13.636 -10.5433   18.621      ?      ? 
1 1 1    8   26   16 o  145.963   6.8301  213.992   19.939      ?      ? 
1 1 1    8   26   17 o   85.540   11.136   74.929   19.051      ?      ? 
1 1 1    8   26   18 o   31.462   9.4635  -2.6988   8.6966 -19.75187 18.92699 
1 1 1    8   26   19 o  114.212   5.2060  138.228   9.8117 10.00317 10.41200 
1 1 1    8   26   20 o  139.153   4.6078  212.160   10.728 24.08060 9.215695 
1 1 1    8   26   21 o  159.468   4.0959  254.959   11.413 -2.118530 8.191796 
1 1 1    8   26   22 o   21.917   7.7408 -31.4299   10.415 -9.601555 15.48169 
1 1 1    8   26   23 o  148.248   4.4652  218.651   11.712 -4.614746 8.930390 
1 1 1    8   26   24 o  111.306   5.7836  122.686   11.508 -6.891441 11.56711 
1 1 1    8   26   25 o   72.638   6.9337   56.806   9.3963 -21.67439 13.86741 
1 1 1    8   26   26 o   69.961   7.5228   51.846   10.091 13.96754 15.04567 
1 1 1    8   26   27 o   47.932   9.1077   24.656   9.5753 21.30561 18.21534 
1 1 1    8   27    0 o  220.668   2.6744  427.433   9.6082 -46.37949 5.348780 
1 1 1    8   27    1 o  219.031   4.6595  480.409   20.411      ?      ? 
1 1 1    8   27    2 o  245.648   4.7231  604.247   23.204      ?      ? 
1 1 1    8   27    3 o  210.416   5.0398  443.406   21.209      ?      ? 
1 1 1    8   27    4 o  296.319   5.2907  879.556   31.355      ?      ? 
1 1 1    8   27    5 o  243.643   5.3377  594.932   26.010      ?      ? 
1 1 1    8   27    6 o  128.539   8.1327  166.682   20.907      ?      ? 
1 1 1    8   27    7 f   41.870   16.493   12.415   20.263      ?      ? 
1 1 1    8   27    8 o  347.861   5.6528  1219.41   39.328      ?      ? 
1 1 1    8   27    9 o  142.184   6.5772  203.841   18.703      ?      ? 
1 1 1    8   27   10 o  269.682   5.1709  731.345   27.890      ?      ? 
1 1 1    8   27   11 o  198.247   5.5069  395.470   21.835      ?      ? 
1 1 1    8   27   12 o   26.039   12.331 -18.8741   17.226      ?      ? 
1 1 1    8   27   14 o  206.761   3.6029  419.147   14.728 -31.45200 7.205709 
1 1 1    8   27   15 o  172.522   4.1058  303.397   13.982 25.01237 8.211681 
1 1 1    8   27   16 o  117.878   8.0736  141.490   19.034      ?      ? 
1 1 1    8   27   17 o   72.877   8.1820   65.032   8.3706 21.02744 16.36396 
1 1 1    8   27   18 o  161.192   6.6466  262.421   21.427      ?      ? 
1 1 1    8   27   19 f   61.662   9.1376   50.069   9.6785 29.22989 18.27521 
1 1 1    8   27   20 o   86.703   6.9735   79.245   10.090 5.338272 13.94695 
1 1 1    8   27   21 o   81.259   7.4581   69.445   10.348 4.203453 14.91615 
1 1 1    8   27   22 o  112.457   5.5779  127.902   10.842 -0.6628036 11.15572 
1 1 1    8   27   23 o   91.054   6.7388   82.965   11.011 -5.136185 13.47759 
1 1 1    8   27   24 o   93.116   7.0600   94.271   11.402 12.47102 14.11994 
1 1 1    8   27   25 o   83.914   8.4112   80.607   11.349 18.20452 16.82246 
1 1 1    8   27   26 f  109.712   5.4268  121.634   10.973 -1.857262 10.85363 
1 1 1    8   28    0 f  290.310   4.8146  847.083   27.955      ?      ? 
1 1 1    8   28    1 o  208.573   4.6555  437.065   19.420      ?      ? 
1 1 1    8   28    2 f  178.576   5.0399  320.560   18.000      ?      ? 
1 1 1    8   28    3 o  132.911   6.3526  178.043   16.887      ?      ? 
1 1 1    8   28    4 o  315.729   5.1831  1001.99   32.729      ?      ? 
1 1 1    8   28    5 o  307.544   5.1756  950.883   31.834      ?      ? 
1 1 1    8   28    6 o  212.313   5.0645  453.209   21.505      ?      ? 
1 1 1    8   28    7 o  315.291   5.2435  999.745   33.065      ?      ? 
1 1 1    8   28    8 o   95.481   8.8987   92.729   16.993      ?      ? 
1 1 1    8   28    9 o  143.785   6.5852  209.994   18.937      ?      ? 
1 1 1    8   28   10 o   37.357   15.434   6.5224   18.719      ?      ? 
1 1 1    8   28   11 o  323.446   5.4725  1049.45   35.401      ?      ? 
1 1 1    8   28   12 o  378.265   5.8575  1436.26   44.314      ?      ? 
1 1 1    8   28   13 o   22.159   10.914 -35.0917   17.147      ?      ? 
1 1 1    8   28   14 o   29.221   13.315  -9.5492   17.278      ?      ? 
1 1 1    8   28   15 o  141.242   4.8945  203.894   13.723 14.45981 9.788956 
1 1 1    8   28   16 o  211.451   3.9117  449.681   16.526 -5.924408 7.823383 
1 1 1    8   28   17 o  185.900   6.1517  348.455   22.872      ?      ? 
1 1 1    8   28   18 o  166.821   3.7127  283.838   10.030 3.874573 7.425395 
1 1 1    8   28   19 o  113.900   5.1917  135.034   9.1466 5.719238 10.38334 
1 1 1    8   28   20 f   39.480   10.300   12.736   9.1708 -9.226727 20.60053 
1 1 1    8   28   21 o  151.135   4.2863  236.239   10.713 6.976303 8.572646 
1 1 1    8   28   22 o  200.987   3.4862  407.181   12.399 0.8164673 6.972398 
1 1 1    8   28   23 o   43.335   9.4522   21.612   9.9336 17.55327 18.90444 
1 1 1    8   28   24 o  139.132   4.4748  182.029   10.611 -17.57304 8.949655 
1 1 1    8   28   25 o   67.524   8.7684   54.015   9.8052 14.51273 17.53679 
1 1 1    8   29    0 o  151.315   5.8013  230.871   17.556      ?      ? 
1 1 1    8   29    1 o  154.393   5.7490  240.363   17.752      ?      ? 
1 1 1    8   29    2 o  246.059   4.9197  609.498   24.211      ?      ? 
1 1 1    8   29    3 f  102.847   8.1539  108.115   16.772      ?      ? 
1 1 1    8   29    4 f  175.879   5.5056  313.409   19.366      ?      ? 
1 1 1    8   29    5 o  143.585   6.3286  209.853   18.174      ?      ? 
1 1 1    8   29    6 o   72.477   11.728   54.163   17.000      ?      ? 
1 1 1    8   29    7 f  151.520   6.1140  230.565   18.528      ?      ? 
1 1 1    8   29    8 o  178.180   5.6525  318.405   20.143      ?      ? 
1 1 1    8   29    9 o  123.567   7.4293  153.827   18.360      ?      ? 
1 1 1    8   29   10 o   27.751   12.921 -14.3125   17.429      ?      ? 
1 1 1    8   29   11 f   33.466   14.385   0.4753   17.362      ?      ? 
1 1 1    8   29   12 o   24.052   11.710 -30.0991   18.029      ?      ? 
1 1 1    8   29   13 f  136.160   7.3245  188.244   19.946      ?      ? 
1 1 1    8   29   14 o  114.702   8.7739  133.680   20.128      ?      ? 
1 1 1    8   29   15 o  169.145   4.3974  289.197   14.814 3.217209 8.794708 
1 1 1    8   29   16 f   81.455   8.6302   72.211   13.328 15.54626 17.26040 
1 1 1    8   29   17 o  134.974   5.2507  184.740   14.118 -1.804138 10.50146 
1 1 1    8   29   18 o   51.499   11.323   28.642   13.700 16.89710 22.64641 
1 1 1    8   29   19 o   50.320   8.5879   34.443   7.3530 22.96781 17.17579 
1 1 1    8   29   20 o   92.561   5.7265   80.850   8.1744 -10.13472 11.45291 
1 1 1    8   29   21 o   29.846   9.1591   1.4718   8.5615 -5.357889 18.31818 
1 1 1    8   29   22 o  132.114   4.5524  183.080   9.7697 9.552200 9.104835 
1 1 1    8   29   23 o   90.605   6.4934   83.369   9.6078 -0.1131821 12.98682 
1 1 1    8   30    0 o  319.371   5.2449  1022.93   33.501      ?      ? 
1 1 1    8   30    1 o  240.555   4.9336  580.175   23.736      ?      ? 
1 1 1    8   30    2 o  298.583   5.1679  894.278   30.861      ?      ? 
1 1 1    8   30    3 o  148.323   6.2141  221.161   18.434      ?      ? 
1 1 1    8   30    4 o   76.674   11.140   60.112   17.082      ?      ? 
1 1 1    8   30    5 o  112.224   7.7750  127.839   17.451      ?      ? 
1 1 1    8   30    6 o  108.998   8.1930  121.119   17.861      ?      ? 
1 1 1    8   30    7 o  157.168   6.0786  249.575   19.107      ?      ? 
1 1 1    8   30    8 o   56.070   15.096   34.665   17.307      ?      ? 
1 1 1    8   30    9 o   51.149   15.599   28.559   17.406      ?      ? 
1 1 1    8   30   10 o   32.259   14.253  -3.7502   18.070      ?      ? 
1 1 1    8   30   11 o   66.332   14.765   47.739   19.077      ?      ? 
1 1 1    8   30   12 o  100.730   9.8884  103.494   19.921      ?      ? 
1 1 1    8   30   13 o   42.678   16.374   15.283   19.659      ?      ? 
1 1 1    8   30   14 o  101.894   9.9162  106.858   20.208      ?      ? 
1 1 1    8   30   15 o  136.355   7.7523  189.195   21.141      ?      ? 
1 1 1    8   30   16 f   65.224   10.774   46.928   13.761 -3.948936 21.54869 
1 1 1    8   30   17 o  120.772   6.0451  149.981   14.521 7.893242 12.09025 
1 1 1    8   30   18 o   32.497   10.339  -6.7521   14.103 0.1926193 20.67749 
1 1 1    8   30   19 o   79.155   9.5577   68.169   14.391 27.03547 19.11543 
1 1 1    8   30   20 o  184.994   3.5753  341.682   11.277 -2.506805 7.150506 
1 1 1    8   30   21 o  154.303   4.0585  256.481   9.6121 17.61264 8.116920 
1 1 1    8   30   22 o   85.939   6.0358   78.229   7.4162 4.837433 12.07163 
1 1 1    8   31    0 o  105.282   7.8125  112.911   16.450      ?      ? 
1 1 1    8   31    1 o  128.141   6.5705  166.372   16.839      ?      ? 
1 1 1    8   31    2 o  140.405   6.0169  199.338   16.896      ?      ? 
1 1 1    8   31    3 o  181.273   5.1511  331.297   18.675      ?      ? 
1 1 1    8   31    4 o  151.643   5.8137  232.301   17.632      ?      ? 
1 1 1    8   31    5 o  183.551   5.4293  339.706   19.931      ?      ? 
1 1 1    8   31    6 o   92.511   9.7968   87.625   18.126      ?      ? 
1 1 1    8   31    7 o  163.170   6.1229  268.360   19.981      ?      ? 
1 1 1    8   31    8 o  105.048   8.8323  112.046   18.556      ?      ? 
1 1 1    8   31    9 o   75.062   12.424   58.483   18.651      ?      ? 
1 1 1    8   31   10 o   89.056   10.748   82.651   19.144      ?      ? 
1 1 1    8   31   11 o   40.147   15.969   10.923   19.167      ?      ? 
1 1 1    8   31   12 o  113.353   8.7243  131.217   19.778      ?      ? 
1 1 1    8   31   13 o   83.136   11.805   72.139   19.629      ?      ? 
1 1 1    8   31   14 f  202.915   5.8759  416.059   23.846      ?      ? 
1 1 1    8   31   15 o   52.623   17.086   30.233   20.540      ?      ? 
1 1 1    8   31   16 o   44.425   16.873   17.404   20.706      ?      ? 
1 1 1    8   31   17 o   99.495   7.6726  102.179   15.150 17.22082 15.34530 
1 1 1    8   31   18 o  127.584   6.1244  167.462   15.457 -6.361763 12.24870 
1 1 1    8   31   19 o  111.296   6.8836  128.471   15.114 -16.23964 13.76715 
1 1 1    8   31   20 o  119.762   6.5274  141.784   15.307 27.09039 13.05478 
1 1 1    8   32    0 o  231.614   4.8563  539.377   22.496      ?      ? 
1 1 1    8   32    1 o  253.762   4.8277  647.468   24.501      ?      ? 
1 1 1    8   32    2 o  167.489   5.3800  282.543   18.022      ?      ? 
1 1 1    8   32    3 o  123.257   6.8589  153.912   16.908      ?      ? 
1 1 1    8   32    4 o  217.269   5.0629  476.016   22.000      ?      ? 
1 1 1    8   32    5 o  160.431   6.0951  260.901   19.557      ?      ? 
1 1 1    8   32    6 f  129.150   7.2876  169.818   18.824      ?      ? 
1 1 1    8   32    7 o  108.695   8.5236  120.600   18.530      ?      ? 
1 1 1    8   32    8 o  118.034   8.0107  141.774   18.911      ?      ? 
1 1 1    8   32    9 o   69.714   13.911   52.985   18.709      ?      ? 
1 1 1    8   32   10 o   54.468   16.260   32.782   19.050      ?      ? 
1 1 1    8   32   11 o  176.551   6.1590  315.295   21.747      ?      ? 
1 1 1    8   32   12 o  127.457   8.0489  165.888   20.518      ?      ? 
1 1 1    8   32   13 o  166.290   6.5187  280.709   21.680      ?      ? 
1 1 1    8   32   14 o  151.444   6.9232  232.852   20.970      ?      ? 
1 1 1    8   32   15 o   73.223   14.096   58.629   19.907      ?      ? 
1 1 1    8   32   16 o  131.616   8.0511  176.405   21.193      ?      ? 
1 1 1    8   32   17 o   92.071   10.695   87.277   19.693      ?      ? 
1 1 1    8   32   18 o   35.076   14.900   2.9402   18.245      ?      ? 
1 1 1    8   33    0 o   91.302   8.9817   85.399   16.401      ?      ? 
1 1 1    8   33    1 o   63.547   13.301   43.965   16.360      ?      ? 
1 1 1    8   33    2 o   85.515   9.7188   75.259   16.622      ?      ? 
1 1 1    8   33    3 o  176.117   5.4677  313.073   19.259      ?      ? 
1 1 1    8   33    4 o  159.250   6.0506  256.516   19.271      ?      ? 
1 1 1    8   33    5 o  181.198   5.7000  331.620   20.657      ?      ? 
1 1 1    8   33    6 o  202.695   5.4296  414.526   22.011      ?      ? 
1 1 1    8   33    7 o   61.162   15.120   41.517   18.414      ?      ? 
1 1 1    8   33    8 o   93.783   10.052   90.837   18.854      ?      ? 
1 1 1    8   33    9 o  116.908   8.4518  140.087   19.762      ?      ? 
1 1 1    8   33   10 o  157.655   6.7291  252.493   21.218      ?      ? 
1 1 1    8   33   11 o  126.247   8.1910  162.732   20.682      ?      ? 
1 1 1    8   33   12 o  132.533   7.8708  179.136   20.863      ?      ? 
1 1 1    8   33   13 o  131.346   7.9904  175.878   20.990      ?      ? 
1 1 1    8   33   14 o  251.621   5.4109  637.859   27.230      ?      ? 
1 1 1    8   33   15 o   93.869   9.6717   90.396   18.157      ?      ? 
1 1 1    8   33   16 o   29.347   13.226  -5.2209   16.385      ?      ? 
1 1 1    8   34    0 o  119.148   7.4076  144.701   17.652      ?      ? 
1 1 1    8   34    1 o  159.524   5.9155  257.617   18.873      ?      ? 
1 1 1    8   34    2 o  102.498   8.5207  107.763   17.467      ?      ? 
1 1 1    8   34    3 o  151.968   6.3542  234.265   19.313      ?      ? 
1 1 1    8   34    4 o  113.471   8.2639  131.861   18.754      ?      ? 
1 1 1    8   34    5 o  159.144   6.2401  256.606   19.861      ?      ? 
1 1 1    8   34    6 f  194.012   5.5101  380.042   21.381      ?      ? 
1 1 1    8   34    7 f  175.801   5.8584  312.329   20.598      ?      ? 
1 1 1    8   34    8 o  155.769   6.4468  245.887   20.084      ?      ? 
1 1 1    8   34    9 o  115.859   8.4886  137.332   19.670      ?      ? 
1 1 1    8   34   10 o  109.110   9.0802  121.747   19.815      ?      ? 
1 1 1    8   34   11 o  158.169   6.5954  252.943   20.864      ?      ? 
1 1 1    8   34   12 o  270.308   5.3257  736.402   28.792      ?      ? 
1 1 1    8   34   13 o  234.680   5.2234  556.842   24.516      ?      ? 
1 1 1    8   35    0 o   83.411   10.463   71.945   17.454      ?      ? 
1 1 1    8   35    1 o  152.256   6.2309  234.605   18.974      ?      ? 
1 1 1    8   35    2 o  303.233   5.3176  927.376   32.249      ?      ? 
1 1 1    8   35    3 o  199.001   5.5402  399.546   22.050      ?      ? 
1 1 1    8   35    4 o  186.632   5.7609  351.485   21.503      ?      ? 
1 1 1    8   35    5 f  178.792   5.8537  322.511   20.932      ?      ? 
1 1 1    8   35    6 o  160.780   6.1796  261.012   19.871      ?      ? 
1 1 1    8   35    7 o  175.758   5.7528  311.582   20.222      ?      ? 
1 1 1    8   35    8 f   79.068   11.194   64.744   17.702      ?      ? 
1 1 1    8   35    9 o  121.493   7.4564  150.560   18.118      ?      ? 
1 1 1    8   35   10 o  148.346   6.1751  228.085   18.321      ?      ? 
1 1 1    8   36    0 o  104.083   8.4517  111.726   17.594      ?      ? 
1 1 1    8   36    1 o  135.966   7.0708  189.026   19.228      ?      ? 
1 1 1    8   36    2 o  118.058   7.9543  143.840   18.781      ?      ? 
1 1 1    8   36    3 o  130.931   7.0536  177.123   18.471      ?      ? 
1 1 1    8   36    4 o  128.110   7.0772  175.358   18.133      ?      ? 
1 1 1    9    0    4 o  401.602   5.8466  1614.66   46.938 -0.000000 0.000000 
1 1 1    9    0    5 o  211.724   4.4920  449.002   19.002 -0.000000 0.000000 
1 1 1    9    0    6 o  160.958   5.2184  259.985   16.760 -0.000000 0.000000 
1 1 1    9    0    7 o   33.237   17.483   16.186   15.239 -0.000000 0.000000 
1 1 1    9    0    8 o  131.031   6.9144  173.223   18.013 -0.000000 0.000000 
1 1 1    9    0    9 o  106.922   8.5039  116.574   17.960 -0.000000 0.000000 
1 1 1    9    0   10 o  196.793   3.8912  388.129   15.234 -0.000000 0.000000 
1 1 1    9    0   11 o  363.635   4.1164  1323.93   29.917 -0.000000 0.000000 
1 1 1    9    0   12 o  129.561   5.5755  174.203   13.912 -0.000000 0.000000 
1 1 1    9    0   13 o  326.601   4.0115  1068.67   26.170 -0.000000 0.000000 
1 1 1    9    0   14 f  252.104   4.0785  633.714   20.454 -0.000000 0.000000 
1 1 1    9    0   15 o   28.070   12.682  -3.9905   17.046 -0.000000 0.000000 
1 1 1    9    0   16 o  199.963   4.8124  403.874   19.079 -0.000000 0.000000 
1 1 1    9    0   17 o  157.939   5.8493  253.655   18.224 -0.000000 0.000000 
1 1 1    9    0   18 o  600.805   6.1109  3614.79   73.375 -0.000000 0.000000 
1 1 1    9    0   19 o  464.244   5.0571  2158.92   46.930 -0.000000 0.000000 
1 1 1    9    0   20 o  131.621   7.0556  177.196   18.252 -0.000000 0.000000 
1 1 1    9    0   21 o   77.491   13.408   70.704   17.962 -0.000000 0.000000 
1 1 1    9    0   22 o  124.139   7.5679  159.623   18.303 -0.000000 0.000000 
1 1 1    9    0   23 o  113.707   8.2625  132.298   17.919 -0.000000 0.000000 
1 1 1    9    0   24 o   75.905   13.292   67.941   17.372 -0.000000 0.000000 
1 1 1    9    0   25 o   22.396   11.025 -20.4405   16.980 -0.000000 0.000000 
1 1 1    9    0   26 o  164.962   5.4716  274.070   17.939 -0.000000 0.000000 
1 1 1    9    0   27 o   24.570   11.719  -9.0471   16.367 -0.000000 0.000000 
1 1 1    9    0   30 o   87.614   10.167   82.798   16.231 -0.000000 0.000000 
1 1 1    9    0   31 o   41.381   15.312   27.130   16.427 -0.000000 0.000000 
1 1 1    9    0   32 f   85.777   11.537   81.856   17.450 -0.000000 0.000000 
1 1 1    9    0   33 o   40.230   13.892   17.600   16.577 -0.000000 0.000000 
1 1 1    9    0   34 o  115.375   8.2751  141.504   18.211 -0.000000 0.000000 
1 1 1    9    0   35 o  114.487   8.2421  138.208   18.363 -0.000000 0.000000 
1 1 1    9    0   36 f   75.860   13.718   68.293   17.981 -0.000000 0.000000 
1 1 1    9    0   37 o   53.090   15.845   41.208   18.178 -0.000000 0.000000 
1 1 1    9    0   38 o   97.464   9.4481  100.959   17.898 -0.000000 0.000000 
1 1 1    9    1    4 o  261.501   3.2338  684.169   16.911 1.921967 6.467642 
1 1 1    9    1    5 o  530.528   5.2789  2818.92   56.012 -1.379517 10.55784 
1 1 1    9    1    6 o  263.054   3.3393  692.389   17.567 -0.3070068E-01 6.678533 
1 1 1    9    1    7 o  325.906   3.6810  1062.85   23.992 -1.167267 7.362033 
1 1 1    9    1    8 o  230.232   3.5417  530.489   16.306 3.086533 7.083417 
1 1 1    9    1    9 f  432.468   4.5203  1871.75   39.094 5.047211 9.040665 
1 1 1    9    1   10 o  247.685   2.5837  613.486   12.797 -3.439453 5.167464 
1 1 1    9    1   11 o  223.082   3.8180  497.822   17.035      ?      ? 
1 1 1    9    1   13 o  295.259   2.7843  872.099   16.441 3.352173 5.568609 
1 1 1    9    1   15 o   39.465   15.283   9.9001   17.220      ?      ? 
1 1 1    9    1   17 o   65.035   9.5190   44.502   12.210 -25.29020 19.03800 
1 1 1    9    1   19 f  268.120   3.1306  719.256   16.785 5.899963 6.261290 
1 1 1    9    1   20 o  135.578   4.7620  184.217   12.911 2.080627 9.523976 
1 1 1    9    1   21 o  139.562   4.6322  195.275   12.925 -4.434647 9.264313 
1 1 1    9    1   22 o  231.698   3.2527  537.459   15.071 4.015976 6.505310 
1 1 1    9    1   24 o  185.212   3.6461  344.004   13.502 -2.807617 7.292134 
1 1 1    9    1   25 o  120.228   5.1168  145.287   12.302 -2.488976 10.23368 
1 1 1    9    1   26 o  156.496   3.9805  245.859   12.458 -2.594879 7.960944 
1 1 1    9    1   27 o   72.522   7.9496   53.643   11.512 -3.894768 15.89911 
1 1 1    9    1   28 o   25.021   12.056 -26.0415   17.896      ?      ? 
1 1 1    9    1   30 o   63.631   9.2185   43.282   11.341 3.920048 18.43696 
1 1 1    9    1   31 o   61.135   9.5880   40.993   11.458 -11.02961 19.17591 
1 1 1    9    1   32 o  152.165   5.8273  232.364   17.734      ?      ? 
1 1 1    9    1   33 o   95.972   6.2364   94.577   11.792 -21.07658 12.47277 
1 1 1    9    1   34 o   70.226   9.0660   51.729   12.437 8.228737 18.13198 
1 1 1    9    1   35 o   82.185   7.6986   69.751   12.653 -1.231209 15.39718 
1 1 1    9    1   36 o   79.717   7.8981   65.960   12.591 1.134193 15.79613 
1 1 1    9    1   37 o   93.702   6.8533   90.609   12.756 -13.58530 13.70662 
1 1 1    9    1   38 o   73.563   8.6201   57.052   12.344 3.698387 17.24024 
1 1 1    9    2    3 o  358.629   5.4050  1287.25   38.768      ?      ? 
1 1 1    9    2    4 o  362.747   3.8498  1316.81   27.927 -2.477356 7.699636 
1 1 1    9    2    5 o  463.600   4.6883  2151.63   43.466 -3.468445 9.376511 
1 1 1    9    2    6 o  319.262   3.6110  1019.85   23.055 3.764862 7.221969 
1 1 1    9    2    7 o  622.416   6.1436  3880.73   76.465 7.748108 12.28713 
1 1 1    9    2    8 o  195.768   3.6667  383.617   14.347 1.643097 7.333368 
1 1 1    9    2    9 o  219.016   3.6381  480.137   15.927 2.612839 7.276277 
1 1 1    9    2   10 o  252.385   2.5994  637.165   13.120 3.076401 5.198771 
1 1 1    9    2   11 o  493.066   3.5751  2431.91   35.247 -5.997559 7.150177 
1 1 1    9    2   12 o   99.564   7.3676   99.263   14.671      ?      ? 
1 1 1    9    2   13 o  172.759   3.3719  298.372   11.644 -7.882187 6.743794 
1 1 1    9    2   15 o  104.576   5.9380  109.589   12.400 -7.509895 11.87605 
1 1 1    9    2   16 o  406.898   3.2563  1654.57   26.480 -12.74551 6.512586 
1 1 1    9    2   17 o  313.063   3.0074  980.679   18.830 0.6289978 6.014790 
1 1 1    9    2   18 o  243.346   4.5068  592.570   21.934      ?      ? 
1 1 1    9    2   19 o   80.008   7.9451   64.389   12.689 6.229378 15.89013 
1 1 1    9    2   20 o   88.106   7.1572   78.000   12.611 -0.5963974 14.31434 
1 1 1    9    2   21 o  160.878   4.1258  259.276   13.274 1.339493 8.251553 
1 1 1    9    2   22 o  232.273   3.2405  540.164   15.053 -2.251404 6.481099 
1 1 1    9    2   23 o  188.040   5.1929  354.211   19.529      ?      ? 
1 1 1    9    2   24 o  194.930   3.5116  380.911   13.689 -0.1889801 7.023189 
1 1 1    9    2   25 o   40.216   10.745   12.127   11.854 2.058559 21.49054 
1 1 1    9    2   26 o   93.223   6.2909   87.732   11.727 2.081841 12.58189 
1 1 1    9    2   27 o  130.958   4.4881  172.660   11.741 -2.709930 8.976223 
1 1 1    9    2   28 o   32.856   14.228  -1.1095   17.222      ?      ? 
1 1 1    9    2   30 o   53.842   10.005   31.040   11.338 18.66616 20.01079 
1 1 1    9    2   31 o   38.204   10.479   11.444   11.464 1.881268 20.95871 
1 1 1    9    2   33 o   29.577   9.3706  -6.7780   11.635 4.928194 18.74120 
1 1 1    9    2   35 o   43.175   11.141   17.054   12.519 0.6883163 22.28209 
1 1 1    9    2   36 o   37.127   10.652   6.9515   12.573 -6.069714 21.30371 
1 1 1    9    2   37 o   77.273   8.5497   63.960   12.561 22.28948 17.09947 
1 1 1    9    2   38 o   80.165   7.6399   66.388   12.198 7.678841 15.27985 
1 1 1    9    3    3 o  454.712   6.5030  2070.11   59.140      ?      ? 
1 1 1    9    3    4 o  333.936   3.6408  1115.33   24.309 8.333069 7.281689 
1 1 1    9    3    5 o  498.549   4.9931  2488.81   49.786 -1.193268 9.986252 
1 1 1    9    3    6 o  258.061   3.3488  665.402   17.271 13.04231 6.697662 
1 1 1    9    3    7 o  505.626   5.0821  2559.78   51.391 4.125275 10.16415 
1 1 1    9    3    8 o  576.517   5.7383  3327.72   66.148 9.609192 11.47661 
1 1 1    9    3    9 o  558.786   4.8632  3103.93   50.720 -10.53900 9.726346 
1 1 1    9    3   10 o  176.822   3.7376  312.415   12.262 -0.6259918 7.475126 
1 1 1    9    3   11 o  628.675   4.4160  3953.15   55.493 -12.73358 8.832049 
1 1 1    9    3   12 o  446.989   3.3525  1997.15   29.944 -9.857025 6.704997 
1 1 1    9    3   13 o  649.480   4.5755  4222.34   59.432 3.924744 9.150911 
1 1 1    9    3   15 o  329.934   3.0191  1088.80   19.918 -3.741882 6.038166 
1 1 1    9    3   16 o  159.394   5.7169  254.302   18.225      ?      ? 
1 1 1    9    3   17 o  145.646   4.3865  212.447   12.771 -5.663467 8.772984 
1 1 1    9    3   18 o  299.363   4.3096  896.753   25.803      ?      ? 
1 1 1    9    3   19 o  109.434   5.7820  120.272   12.625 -8.687263 11.56408 
1 1 1    9    3   20 o  230.392   3.2505  531.171   14.975 -4.444992 6.500983 
1 1 1    9    3   21 o   95.048   6.6613   90.762   12.659 -3.319832 13.32255 
1 1 1    9    3   22 o  125.060   5.1335  156.917   12.831 0.2073975 10.26696 
1 1 1    9    3   24 o  126.470   4.9418  160.745   12.496 0.3338623 9.883642 
1 1 1    9    3   25 o  165.400   3.8340  274.611   12.673 5.034500 7.668091 
1 1 1    9    3   26 o  159.293   3.9328  254.984   12.500 -13.62859 7.865678 
1 1 1    9    3   27 o   90.508   6.3418   82.873   11.464 6.356033 12.68363 
1 1 1    9    3   30 f  100.900   5.7371  103.303   11.559 -5.437355 11.47415 
1 1 1    9    3   31 o   23.272   11.386 -31.0820   17.743      ?      ? 
1 1 1    9    3   32 o   88.305   9.9836   79.092   17.632      ?      ? 
1 1 1    9    3   33 o   22.208   7.7076 -32.1657   11.757 -1.969265 15.41522 
1 1 1    9    3   35 o   29.385   9.4334 -10.7990   12.400 -6.635979 18.86684 
1 1 1    9    3   36 o   34.001   10.182  -0.6288   12.540 10.94035 20.36451 
1 1 1    9    3   37 o   43.997   11.141   18.627   12.464 0.3502426 22.28236 
1 1 1    9    3   38 o   80.212   7.7925   66.379   12.354 16.14571 15.58502 
1 1 1    9    4    3 o  572.271   8.0006  3280.70   91.570      ?      ? 
1 1 1    9    4    4 o  499.102   4.9907  2493.45   49.801 -6.690277 9.981500 
1 1 1    9    4    5 o  459.204   4.6483  2110.98   42.689 3.720764 9.296499 
1 1 1    9    4    6 o  184.538   3.4611  341.570   12.743 10.26982 6.922127 
1 1 1    9    4    7 o  157.639   3.8996  250.548   12.200 13.59103 7.799176 
1 1 1    9    4    8 f  510.643   5.1458  2609.61   52.540 9.911682 10.29158 
1 1 1    9    4    9 o  332.908   3.3578  1115.69   21.052 6.247772 6.715635 
1 1 1    9    4   10 o  142.621   4.3851  208.337   11.301 8.021347 8.770284 
1 1 1    9    4   11 o  458.670   3.3734  2102.88   30.921 -10.64377 6.746822 
1 1 1    9    4   12 o  208.346   2.9085  433.269   12.105 -10.93436 5.816978 
1 1 1    9    4   13 o  394.390   3.1152  1555.91   24.567 -3.042633 6.230497 
1 1 1    9    4   14 o  257.279   4.1968  662.224   21.595      ?      ? 
1 1 1    9    4   16 o  282.918   2.9930  800.850   16.935 -2.346832 5.986080 
1 1 1    9    4   17 o  329.293   3.0302  1083.88   19.945 9.919495 6.060460 
1 1 1    9    4   18 o  139.104   4.6503  194.144   12.913 -8.068787 9.300530 
1 1 1    9    4   19 o  391.450   3.2057  1533.51   25.094 2.573303 6.411340 
1 1 1    9    4   20 o   75.768   8.1799   57.788   12.395 -1.075127 16.35975 
1 1 1    9    4   21 f   58.128   10.513   35.514   12.320 -6.737244 21.02683 
1 1 1    9    4   22 o  118.699   5.3357  141.758   12.632 6.047455 10.67138 
1 1 1    9    4   23 o  261.823   3.0986  686.433   16.221 -0.6924438 6.197167 
1 1 1    9    4   24 o   93.572   6.4828   88.227   12.125 -4.349846 12.96566 
1 1 1    9    4   25 o   44.499   10.804   18.616   11.660 3.056858 21.60699 
1 1 1    9    4   26 o  109.130   5.3262  120.007   11.625 0.1300735 10.65245 
1 1 1    9    4   27 o   82.760   6.7658   69.424   11.176 -7.094582 13.53168 
1 1 1    9    4   28 o   88.042   6.9069   78.868   12.067 12.42436 13.81390 
1 1 1    9    4   29 f   34.410   10.095   3.7714   11.445 -1.619492 20.18997 
1 1 1    9    4   30 o  141.201   4.1574  200.834   11.740 0.9841461 8.314785 
1 1 1    9    4   31 o   83.418   10.734   72.887   17.908      ?      ? 
1 1 1    9    4   32 o   47.243   11.270   22.128   12.648 -5.076351 22.54056 
1 1 1    9    4   33 o   33.194   9.7802  -1.1908   11.771 13.68599 19.56041 
1 1 1    9    4   34 o  108.010   5.7451  118.493   12.408 -2.288040 11.49021 
1 1 1    9    4   35 o   39.398   10.868   11.358   12.372 2.163124 21.73693 
1 1 1    9    4   36 f   40.577   10.977   13.522   12.457 0.9262619 21.95303 
1 1 1    9    4   37 o   74.980   8.6206   59.340   12.610 9.763062 17.24114 
1 1 1    9    4   38 o   77.499   7.9439   62.044   12.234 11.59649 15.88771 
1 1 1    9    5    3 o  432.709   6.2760  1874.33   54.313      ?      ? 
1 1 1    9    5    4 o  477.563   4.8028  2282.33   45.849 -6.768219 9.605696 
1 1 1    9    5    5 o  231.866   3.2648  538.612   15.119 7.894760 6.529500 
1 1 1    9    5    6 o  332.834   3.6861  1108.41   24.523 -1.115295 7.372201 
1 1 1    9    5    7 o  235.264   3.3798  554.107   15.852 1.726212 6.759601 
1 1 1    9    5    8 o  204.155   3.6438  418.247   14.835 13.12115 7.287591 
1 1 1    9    5    9 o  565.232   4.8910  3210.99   52.376 7.275208 9.781903 
1 1 1    9    5   10 o  166.617   3.8880  280.705   11.893 4.481216 7.776095 
1 1 1    9    5   11 o  690.533   4.8111  4773.69   66.443 -2.701233 9.622156 
1 1 1    9    5   12 o  403.379   3.1303  1627.93   25.254 -0.3824768 6.260549 
1 1 1    9    5   13 o  617.842   4.3712  3819.83   54.004 -8.855896 8.742412 
1 1 1    9    5   14 o  566.207   4.0815  3208.41   46.219 -4.233032 8.163069 
1 1 1    9    5   15 o  277.654   4.1229  771.246   22.895      ?      ? 
1 1 1    9    5   16 o  183.957   3.5466  339.040   13.035 -6.213318 7.093224 
1 1 1    9    5   18 o   84.683   7.2864   72.393   12.246 -11.89690 14.57286 
1 1 1    9    5   19 f  336.890   3.0509  1135.58   20.552 4.150635 6.101887 
1 1 1    9    5   20 o   41.152   10.966   12.563   12.287 0.3746185 21.93123 
1 1 1    9    5   21 o  117.287   5.2869  138.171   12.384 6.777481 10.57381 
1 1 1    9    5   22 o  361.910   3.1205  1311.28   22.586 3.844604 6.241018 
1 1 1    9    5   23 o  156.598   4.1519  245.910   13.003 -1.943588 8.303714 
1 1 1    9    5   24 o  110.186   5.4550  122.189   12.013 3.729431 10.90998 
1 1 1    9    5   25 o   85.827   6.9488   74.826   11.833 12.66209 13.89753 
1 1 1    9    5   26 o  212.300   3.1879  452.202   13.530 4.012192 6.375757 
1 1 1    9    5   27 o  166.268   3.6486  277.205   12.124 -7.350250 7.297234 
1 1 1    9    5   29 o   95.523   5.8887   93.182   11.224 -7.091652 11.77738 
1 1 1    9    5   30 o   56.377   9.7626   34.360   11.045 -12.96341 19.52522 
1 1 1    9    5   31 o  141.978   6.4351  203.227   18.273      ?      ? 
1 1 1    9    5   33 o   31.981   9.7669  -3.2358   11.927 -9.598776 19.53389 
1 1 1    9    5   34 o   27.220   9.0256 -16.4394   12.450 2.066813 18.05116 
1 1 1    9    5   35 o   71.841   8.9690   55.253   12.520 -8.782761 17.93799 
1 1 1    9    5   36 o   71.449   9.0377   54.572   12.524 16.34377 18.07547 
1 1 1    9    5   37 o   41.364   10.751   13.170   12.435 15.32825 21.50158 
1 1 1    9    5   38 o   63.594   9.5274   43.736   11.984 -16.58602 19.05485 
1 1 1    9    6    2 o  575.799   8.0831  3321.14   93.085      ?      ? 
1 1 1    9    6    3 o  370.156   5.6001  1371.28   41.458      ?      ? 
1 1 1    9    6    4 o  223.068   3.2203  497.035   14.281 -3.272873 6.440631 
1 1 1    9    6    5 o  269.096   3.3491  724.085   17.978 -2.246552 6.698270 
1 1 1    9    6    6 o  291.225   3.4948  848.166   20.306 -2.100159 6.989693 
1 1 1    9    6    7 o  455.812   4.6662  2079.56   42.526 -0.9232788 9.332402 
1 1 1    9    6    8 o  276.232   3.5943  763.588   19.840 15.31311 7.188692 
1 1 1    9    6    9 f  426.109   3.8913  1818.83   31.142 1.378601 7.782631 
1 1 1    9    6   10 o  237.480   3.2413  563.339   14.246 -0.9748688 6.482661 
1 1 1    9    6   11 o  384.855   3.0022  1481.41   23.105 6.618561 6.004359 
1 1 1    9    6   13 o  421.730   4.5806  1779.51   38.636      ?      ? 
1 1 1    9    6   14 f  257.406   4.2468  662.867   21.863      ?      ? 
1 1 1    9    6   15 o   67.927   9.0260   48.571   11.799 -19.76695 18.05192 
1 1 1    9    6   16 o  203.349   3.2936  413.784   13.388 0.3512115 6.587288 
1 1 1    9    6   17 o  137.012   4.5105  189.022   12.291 -11.87737 9.021077 
1 1 1    9    6   18 o  463.471   3.5143  2150.23   32.575 -1.654083 7.028517 
1 1 1    9    6   19 o  184.842   3.6031  342.342   13.308 -4.292679 7.206273 
1 1 1    9    6   20 o  132.293   4.7382  175.720   12.516 -5.540512 9.476387 
1 1 1    9    6   21 o  177.282   3.7090  314.934   13.141 -8.068420 7.417950 
1 1 1    9    6   22 o  210.132   4.7486  442.178   19.957      ?      ? 
1 1 1    9    6   23 o  216.174   4.6130  468.240   19.944      ?      ? 
1 1 1    9    6   24 o   42.197   10.710   14.713   11.734 -9.407131 21.42062 
1 1 1    9    6   25 o  142.513   4.2626  203.914   12.148 -2.963486 8.525209 
1 1 1    9    6   26 o   90.222   6.3516   82.339   11.458 -1.125214 12.70324 
1 1 1    9    6   27 f   31.641   9.4196  -3.6653   11.145 -13.46135 18.83913 
1 1 1    9    6   28 f   94.699   8.4633   90.055   16.029      ?      ? 
1 1 1    9    6   29 o   47.985   10.194   24.486   10.827 -10.20380 20.38900 
1 1 1    9    6   30 o   41.719   10.487   16.069   11.041 3.132072 20.97450 
1 1 1    9    6   32 o   99.572   6.1175  101.538   12.148 6.204590 12.23498 
1 1 1    9    6   33 o   78.569   7.6099   63.536   11.954 -0.5995255 15.21982 
1 1 1    9    6   34 o   39.991   10.801   12.827   12.242 7.030025 21.60268 
1 1 1    9    6   35 o   28.288   9.1288 -16.3817   12.465 -11.02278 18.25769 
1 1 1    9    6   36 o   34.592   10.047  -0.0722   12.575 -15.04012 20.09364 
1 1 1    9    6   37 o   67.191   9.5544   48.916   12.384 10.75844 19.10873 
1 1 1    9    6   38 o   35.993   10.359   6.3363   11.849 5.621075 20.71840 
1 1 1    9    7    2 o  261.706   4.8043  685.297   25.146      ?      ? 
1 1 1    9    7    3 o  176.938   5.1676  313.277   18.287      ?      ? 
1 1 1    9    7    4 o  382.282   4.0268  1462.02   30.763 -3.206360 8.053543 
1 1 1    9    7    5 o  334.104   3.7270  1115.59   24.853 -6.118469 7.453938 
1 1 1    9    7    6 o  346.625   3.8345  1195.75   26.447 -17.58228 7.669053 
1 1 1    9    7    7 o  215.921   3.6015  467.928   15.457 6.606659 7.203052 
1 1 1    9    7    8 o  551.319   5.5109  3042.41   60.738 -8.034851 11.02172 
1 1 1    9    7    9 o  376.146   3.6093  1414.48   25.328 -0.8511353 7.218527 
1 1 1    9    7   10 o  783.179   6.6603  6137.28   98.039 -3.094849 13.32056 
1 1 1    9    7   11 o  261.559   3.5135  689.797   16.770 5.012512 7.027061 
1 1 1    9    7   13 o  287.576   2.8640  827.165   16.469 7.792267 5.728000 
1 1 1    9    7   14 o  270.247   2.8817  729.863   15.567 11.16962 5.763443 
1 1 1    9    7   15 o  189.190   3.3607  357.868   12.708 9.672348 6.721412 
1 1 1    9    7   16 o  149.352   4.0047  223.378   11.957 -3.557938 8.009339 
1 1 1    9    7   17 o  206.586   3.2071  426.922   13.248 5.016113 6.414143 
1 1 1    9    7   18 o  191.999   4.8899  369.017   18.777      ?      ? 
1 1 1    9    7   19 o  421.089   3.3174  1774.77   27.936 -6.883667 6.634757 
1 1 1    9    7   20 o  184.210   3.5929  339.447   13.216 3.580658 7.185843 
1 1 1    9    7   21 o  297.212   3.0152  884.291   17.916 0.5729065 6.030337 
1 1 1    9    7   22 o  122.407   5.1025  149.909   12.447 14.69631 10.20509 
1 1 1    9    7   23 o   39.215   10.552   10.611   11.694 -6.759956 21.10451 
1 1 1    9    7   24 o  191.838   3.4095  369.001   13.077 -4.694931 6.818901 
1 1 1    9    7   25 o  107.418   5.3861  116.408   11.553 -4.908417 10.77230 
1 1 1    9    7   26 o   73.747   7.5548   55.460   11.105 -5.896851 15.10963 
1 1 1    9    7   27 o   93.675   6.1573   89.085   11.530 3.837570 12.31451 
1 1 1    9    7   29 o   60.175   9.1889   38.935   10.751 -7.471378 18.37773 
1 1 1    9    7   30 o   56.417   10.057   34.931   11.349 1.375050 20.11430 
1 1 1    9    7   32 o   49.486   10.711   26.392   11.592 0.7331390 21.42195 
1 1 1    9    7   33 o   81.044   7.8875   68.341   12.036 28.54022 15.77495 
1 1 1    9    7   34 f   36.101   10.280   4.1084   12.228 13.31804 20.55948 
1 1 1    9    7   35 o   55.299   10.785   33.739   12.290 2.217297 21.56913 
1 1 1    9    7   36 o   70.415   9.0051   53.115   12.358 -2.501198 18.01029 
1 1 1    9    7   37 o   85.857   7.3862   77.973   12.316 -18.81933 14.77233 
1 1 1    9    7   38 o   84.335   6.9430   74.492   11.683 -1.479332 13.88596 
1 1 1    9    8    2 o  854.810   11.799  7330.56  201.726      ?      ? 
1 1 1    9    8    3 o  356.997   5.5449  1275.36   39.590      ?      ? 
1 1 1    9    8    4 o  580.346   5.7474  3370.95   66.671 -9.604370 11.49472 
1 1 1    9    8    5 f  468.480   4.7667  2193.96   44.602 -11.48709 9.533459 
1 1 1    9    8    6 o  392.034   4.1606  1533.30   32.516 -14.35098 8.321132 
1 1 1    9    8    7 o  479.709   4.8782  2301.12   46.749 -10.87393 9.756455 
1 1 1    9    8    8 o  186.984   3.9325  352.598   14.563 12.61629 7.864941 
1 1 1    9    8    9 o  213.061   3.4817  460.670   13.270 6.906097 6.963361 
1 1 1    9    8   10 o  234.075   3.5797  567.908   15.107 20.28168 7.159360 
1 1 1    9    8   11 o  645.648   9.1401  4177.26  118.026      ?      ? 
1 1 1    9    8   12 o  222.463   4.2974  495.129   19.120      ?      ? 
1 1 1    9    8   13 o  661.056   4.6491  4373.95   61.460 -5.145752 9.298243 
1 1 1    9    8   14 o  388.710   3.1247  1511.88   24.292 0.2322083 6.249383 
1 1 1    9    8   15 o  251.918   2.9265  634.971   14.741 -0.2442017 5.853014 
1 1 1    9    8   16 o  416.374   3.2573  1734.71   27.124 4.592407 6.514624 
1 1 1    9    8   17 o   90.740   6.4295   82.917   11.579 -13.76685 12.85898 
1 1 1    9    8   18 o   35.309   10.261   3.7550   11.708 -3.492550 20.52148 
1 1 1    9    8   19 o  159.954   3.9355  256.341   12.578 -0.9600067 7.870974 
1 1 1    9    8   20 o  284.027   3.0024  807.589   17.048 0.5218506E-02 6.004886 
1 1 1    9    8   21 o  338.224   3.0571  1145.25   20.674 0.1985474 6.114294 
1 1 1    9    8   22 o  186.817   3.5590  350.682   13.261 -12.56569 7.117958 
1 1 1    9    8   23 o  212.468   3.2094  452.713   13.619 -3.938156 6.418745 
1 1 1    9    8   24 o   35.460   9.9038   3.0772   11.509 -14.52842 19.80753 
1 1 1    9    8   25 o   28.123   9.0302  -9.5396   11.098 4.624554 18.06032 
1 1 1    9    8   26 o   97.559   5.7046   96.001   11.117 2.130943 11.40921 
1 1 1    9    8   27 o  137.016   6.0344  188.486   16.536      ?      ? 
1 1 1    9    8   28 o   89.946   9.5565   82.360   17.191      ?      ? 
1 1 1    9    8   29 o  120.871   4.6752  147.016   11.252 3.375816 9.350408 
1 1 1    9    8   30 f   38.473   10.415   11.388   11.651 10.53130 20.82946 
1 1 1    9    8   31 o   37.117   10.200   5.5341   11.901 14.98960 20.40055 
1 1 1    9    8   32 f   77.661   7.4320   62.100   11.519 5.818321 14.86409 
1 1 1    9    8   33 o   96.801   6.2376   94.853   12.055 7.246971 12.47529 
1 1 1    9    8   34 o   31.885   9.8444  -4.2580   12.320 -8.007549 19.68888 
1 1 1    9    8   35 f   39.462   10.809   11.585   12.248 5.466396 21.61702 
1 1 1    9    8   36 o   38.454   10.660   9.7905   12.085 7.773651 21.32042 
1 1 1    9    8   37 o   65.089   9.3927   44.649   12.035 24.55766 18.78543 
1 1 1    9    9    2 o  491.946   7.0712  2422.78   69.573      ?      ? 
1 1 1    9    9    3 f  340.428   5.4765  1159.68   37.287      ?      ? 
1 1 1    9    9    4 o  446.227   4.5684  1980.23   40.533 -25.12241 9.136848 
1 1 1    9    9    5 o  197.190   3.5912  389.082   13.881 0.4948425E-01 7.182307 
1 1 1    9    9    6 o  110.710   5.4425  123.731   11.738 4.162170 10.88503 
1 1 1    9    9    7 o  242.576   3.5932  590.296   17.293 5.136749 7.186314 
1 1 1    9    9    8 o  658.085   6.5129  4328.08   85.516 -24.32758 13.02582 
1 1 1    9    9    9 o  467.309   4.2864  2161.27   36.820 -12.97665 8.572883 
1 1 1    9    9   10 o  512.314   7.5577  2628.37   77.438      ?      ? 
1 1 1    9    9   11 o  135.391   9.6584  183.744   26.153      ?      ? 
1 1 1    9    9   12 f  523.763   4.7169  2686.91   45.089 -26.97543 9.433707 
1 1 1    9    9   13 o  226.206   2.9305  511.707   13.252 -3.312927 5.860983 
1 1 1    9    9   14 o  156.766   5.3455  245.996   16.760      ?      ? 
1 1 1    9    9   15 o  342.896   2.9739  1176.31   20.393 -3.210114 5.947700 
1 1 1    9    9   16 o   39.524   10.529   10.884   11.579 -6.881985 21.05725 
1 1 1    9    9   17 o   88.259   6.6510   79.441   11.509 -18.99612 13.30199 
1 1 1    9    9   18 o  317.323   2.9579  1007.82   18.772 -1.559296 5.915748 
1 1 1    9    9   19 o  290.875   2.9612  846.907   17.226 0.7406921 5.922469 
1 1 1    9    9   20 o  419.085   3.2993  1756.70   27.631 11.03250 6.598589 
1 1 1    9    9   21 o  268.542   4.2861  722.040   23.020      ?      ? 
1 1 1    9    9   22 o  285.670   2.9574  817.440   16.895 -6.074158 5.914805 
1 1 1    9    9   23 o  274.503   2.9305  754.711   16.088 -2.028320 5.861063 
1 1 1    9    9   24 o  137.968   4.2932  191.034   11.834 -8.996277 8.586329 
1 1 1    9    9   25 o  192.510   3.2397  371.341   12.466 -6.192108 6.479472 
1 1 1    9    9   26 o  213.385   3.1376  456.951   13.383 -9.260345 6.275119 
1 1 1    9    9   28 f   54.138   9.9910   31.956   10.903 -2.124596 19.98205 
1 1 1    9    9   29 o  165.670   3.6333  275.367   12.001 4.192566 7.266566 
1 1 1    9    9   30 o   68.106   13.338   49.051   17.520      ?      ? 
1 1 1    9    9   31 o   30.377   9.5722  -5.0755   11.821 0.2444324 19.14430 
1 1 1    9    9   32 o   50.416   10.523   27.753   11.330 -3.463531 21.04591 
1 1 1    9    9   33 o   33.079   10.003   0.3722   11.745 6.478123 20.00625 
1 1 1    9    9   34 f  109.220   5.6995  120.181   12.372 15.26163 11.39897 
1 1 1    9    9   35 o   53.857   10.775   32.303   12.094 -2.098358 21.54945 
1 1 1    9    9   36 o   63.097   9.9205   44.210   12.099 -5.539497 19.84097 
1 1 1    9    9   37 o   57.156   10.177   34.424   11.800 19.65745 20.35313 
1 1 1    9   10    1 o  584.196   8.2462  3418.24   96.348      ?      ? 
1 1 1    9   10    2 f  717.375   9.9903  5158.29  143.336      ?      ? 
1 1 1    9   10    3 o  375.167   5.8676  1408.66   44.027      ?      ? 
1 1 1    9   10    4 o  170.123   3.9497  294.327   12.929 10.82703 7.899327 
1 1 1    9   10    5 o  278.221   3.5264  773.626   19.464 -2.536041 7.052847 
1 1 1    9   10    6 o  344.249   3.8958  1182.85   26.689 -8.671112 7.791600 
1 1 1    9   10    7 o  608.335   6.0504  3703.70   73.537 -12.44824 12.10083 
1 1 1    9   10    8 o  509.363   5.2062  2587.05   52.809 -21.69952 10.41242 
1 1 1    9   10    9 o  323.037   5.9644  1044.46   38.535      ?      ? 
1 1 1    9   10   10 o  466.812   4.3271  2183.41   37.594 1.454346 8.654176 
1 1 1    9   10   11 o  492.403   4.5193  2352.83   40.081 -33.78146 9.038558 
1 1 1    9   10   12 o  277.137   3.6024  756.481   18.004 -9.914917 7.204872 
1 1 1    9   10   13 o   22.367   10.819 -24.3878   14.848      ?      ? 
1 1 1    9   10   15 f  269.745   2.9469  727.106   15.887 -11.81940 5.893742 
1 1 1    9   10   16 o  570.915   4.1084  3263.19   46.901 -7.387878 8.216788 
1 1 1    9   10   17 o  388.089   3.1538  1507.53   24.479 -0.8387756 6.307614 
1 1 1    9   10   18 o  334.646   2.9798  1120.95   19.944 0.9831238 5.959649 
1 1 1    9   10   19 o   39.465   10.302   10.513   11.379 -12.85693 20.60390 
1 1 1    9   10   21 o  244.248   3.0090  597.354   14.694 1.848328 6.017915 
1 1 1    9   10   22 o  191.242   3.3269  366.444   12.723 3.644394 6.653790 
1 1 1    9   10   23 o  102.031   5.5905  104.811   11.405 -0.1409378 11.18106 
1 1 1    9   10   24 o  117.463   4.8534  138.693   11.394 -3.600929 9.706779 
1 1 1    9   10   25 f  212.375   3.0736  450.639   13.029 -17.69603 6.147243 
1 1 1    9   10   26 o   37.225   14.740   8.4740   16.261      ?      ? 
1 1 1    9   10   28 o   87.522   6.2308   78.194   10.804 -13.97625 12.46162 
1 1 1    9   10   29 o   25.424   11.938 -15.1872   15.597      ?      ? 
1 1 1    9   10   31 o   24.093   8.1721 -22.8340   11.342 5.208899 16.34423 
1 1 1    9   10   32 o   88.429   9.7730   79.811   17.284      ?      ? 
1 1 1    9   10   33 f   47.241   10.741   23.976   11.856 -10.08814 21.48231 
1 1 1    9   10   34 o   29.312   9.4047  -8.2996   12.012 -1.272137 18.80950 
1 1 1    9   10   35 o   94.652   6.6136   92.814   12.356 -3.619713 13.22722 
1 1 1    9   10   36 o   58.230   10.556   36.826   12.283 9.097088 21.11218 
1 1 1    9   10   37 o   34.242   10.021   4.4760   11.368 -4.344288 20.04178 
1 1 1    9   11    0 o  385.952   5.7240  1490.79   44.184      ?      ? 
1 1 1    9   11    1 o  299.049   5.4258  894.955   32.452      ?      ? 
1 1 1    9   11    2 o  444.777   6.6242  1980.41   58.926      ?      ? 
1 1 1    9   11    3 o  297.379   5.4275  884.988   32.281      ?      ? 
1 1 1    9   11    4 o  442.991   4.5798  1954.95   40.367 -19.91092 9.159626 
1 1 1    9   11    5 o  500.391   5.0744  2488.76   50.446 -29.97470 10.14887 
1 1 1    9   11    6 o  379.581   4.1773  1438.63   31.561 -8.756897 8.354691 
1 1 1    9   11    7 o  467.698   4.8492  2182.90   45.196 -16.76221 9.698449 
1 1 1    9   11    8 f  216.921   4.4358  489.726   18.328 72.90958 8.871552 
1 1 1    9   11    9 o  306.592   4.0512  943.828   24.733 12.79901 8.102368 
1 1 1    9   11   10 o  270.595   6.1839  732.886   33.467      ?      ? 
1 1 1    9   11   11 o  233.147   3.7976  546.702   15.774 2.623108 7.595207 
1 1 1    9   11   12 o  254.483   3.6555  644.364   16.946 -3.548676 7.310966 
1 1 1    9   11   13 o  441.129   4.1652  1937.32   34.227 -6.475067 8.330415 
1 1 1    9   11   14 o  336.889   2.9531  1135.34   19.894 4.714386 5.906107 
1 1 1    9   11   15 o  176.694   3.4938  312.523   12.346 -1.928726 6.987591 
1 1 1    9   11   16 o  252.272   2.9350  636.314   14.800 -7.198532 5.870007 
1 1 1    9   11   17 o  589.346   4.2183  3478.64   49.708 -8.059509 8.436573 
1 1 1    9   11   18 o  215.600   3.1210  465.237   13.455 6.599289 6.241981 
1 1 1    9   11   19 o   20.807   7.2736 -37.4304   11.220 -3.840885 14.54727 
1 1 1    9   11   20 o   71.657   8.4374   53.850   11.296 33.37803 16.87472 
1 1 1    9   11   21 o   52.973   9.9226   29.758   11.067 -16.77780 19.84518 
1 1 1    9   11   22 o  381.933   3.0989  1461.32   23.670 -4.382416 6.197719 
1 1 1    9   11   23 o  131.218   4.3640  173.040   11.442 -6.987022 8.727974 
1 1 1    9   11   24 f  275.128   2.8649  758.483   15.760 -4.875641 5.729744 
1 1 1    9   11   25 o   70.244   8.5765   54.034   11.205 -39.33791 17.15302 
1 1 1    9   11   27 o   41.573   9.7178   14.358   10.553 -21.60976 19.43558 
1 1 1    9   11   28 o  132.396   4.2458  176.599   11.242 -0.9432068 8.491518 
1 1 1    9   11   30 o   37.012   10.402   6.4029   11.995 -10.61541 20.80383 
1 1 1    9   11   31 o   68.783   8.3304   49.767   11.149 11.63847 16.66076 
1 1 1    9   11   32 o   68.340   8.6982   48.947   11.607 -1.801025 17.39639 
1 1 1    9   11   33 o  123.926   5.0092  155.076   12.389 7.517418 10.01838 
1 1 1    9   11   34 o   73.871   8.3978   57.289   12.094 10.60799 16.79555 
1 1 1    9   11   35 o   86.021   9.6777   76.168   16.650      ?      ? 
1 1 1    9   11   36 o  106.706   5.7687  115.760   12.308 2.389763 11.53747 
1 1 1    9   11   37 o   30.106   9.9713 -14.9479   16.400 7.556547 19.94268 
1 1 1    9   12    0 o  397.208   4.2212  1578.92   33.513 -1.388794 8.442387 
1 1 1    9   12    1 o  538.975   7.6718  2909.12   82.698      ?      ? 
1 1 1    9   12    2 o  233.672   5.2340  546.390   24.461      ?      ? 
1 1 1    9   12    3 o  283.055   5.2553  801.740   29.751      ?      ? 
1 1 1    9   12    4 o  463.838   4.7494  2152.39   44.010 -6.260345 9.498815 
1 1 1    9   12    5 o  371.370   4.0840  1374.00   30.167 -15.31378 8.167933 
1 1 1    9   12    6 o  797.272   7.8251  6360.16  124.510 -29.18872 15.65024 
1 1 1    9   12    7 o  417.087   4.5260  1741.81   37.696 1.749420 9.052079 
1 1 1    9   12    8 o  426.462   4.5840  1806.15   38.767 -24.50363 9.167970 
1 1 1    9   12    9 o  235.634   4.1015  544.200   18.815 -20.24861 8.203067 
1 1 1    9   12   10 f  173.453   4.6240  309.321   13.764 9.298309 9.248085 
1 1 1    9   12   11 o  315.389   3.6555  993.066   20.977 -1.819946 7.311025 
1 1 1    9   12   12 o  189.703   4.1597  337.596   14.243 -26.87914 8.319371 
1 1 1    9   12   13 o   41.975   10.292   12.201   13.208 21.90480 20.58448 
1 1 1    9   12   14 f  308.784   2.8646  954.130   17.691 2.282898 5.729270 
1 1 1    9   12   15 o  356.966   2.9828  1275.23   21.295 2.845947 5.965625 
1 1 1    9   12   16 o  318.731   2.8841  1016.51   18.380 -3.080170 5.768258 
1 1 1    9   12   17 o  357.483   3.0018  1278.74   21.453 -4.935516 6.003664 
1 1 1    9   12   18 o  140.957   4.0530  199.090   11.426 0.1229858 8.106078 
1 1 1    9   12   19 o  195.441   4.4701  382.469   17.473      ?      ? 
1 1 1    9   12   20 f  356.523   2.9977  1273.07   21.370 2.085968 5.995393 
1 1 1    9   12   21 o   77.465   7.0064   60.369   10.790 11.84149 14.01276 
1 1 1    9   12   22 o  233.505   2.8918  545.523   13.492 6.938538 5.783672 
1 1 1    9   12   23 o  121.391   4.4538  148.296   10.801 -2.452972 8.907509 
1 1 1    9   12   24 o  263.847   2.8553  697.824   15.067 -1.839172 5.710555 
1 1 1    9   12   25 o   90.355   6.6166   82.725   11.912 -10.62967 13.23318 
1 1 1    9   12   26 o  107.401   7.5090  115.983   16.130      ?      ? 
1 1 1    9   12   27 o  123.085   4.5131  152.539   11.101 -6.884773 9.026188 
1 1 1    9   12   28 o   97.932   5.7122   97.450   11.180 4.981270 11.42440 
1 1 1    9   12   30 o   72.207   8.2447   54.840   11.521 14.37601 16.48949 
1 1 1    9   12   31 f   28.011   8.7085 -17.0888   11.334 -16.79034 17.41710 
1 1 1    9   12   32 f  137.386   4.5664  190.825   12.510 14.79007 9.132750 
1 1 1    9   12   33 o   30.611   9.6686  -5.3121   12.102 1.038015 19.33723 
1 1 1    9   12   34 o   66.555   9.4760   48.193   12.167 10.36600 18.95198 
1 1 1    9   12   35 o   94.249   6.5006   90.982   12.233 5.146774 13.00125 
1 1 1    9   12   36 o  107.188   5.6183  116.889   11.993 -13.00521 11.23651 
1 1 1    9   13    0 f  517.929   5.2276  2686.28   54.149 1.878662 10.45527 
1 1 1    9   13    1 o  358.872   4.0217  1240.11   28.256 67.73090 8.043426 
1 1 1    9   13    2 o  318.580   5.4902  1015.71   34.981      ?      ? 
1 1 1    9   13    3 o  388.915   6.0715  1513.97   47.226      ?      ? 
1 1 1    9   13    4 o  448.676   4.6766  2014.74   41.926 -2.932465 9.353133 
1 1 1    9   13    5 o  485.615   4.9988  2347.41   48.282 -25.36002 9.997691 
1 1 1    9   13    6 o  397.961   4.3348  1572.46   34.243 -24.64532 8.669568 
1 1 1    9   13    7 o  330.522   3.9598  1093.58   26.099 1.156677 7.919504 
1 1 1    9   13    8 o  180.684   4.5392  335.221   15.911 23.69444 9.078386 
1 1 1    9   13    9 o  329.948   4.0919  1075.13   26.581 -24.09171 8.183854 
1 1 1    9   13   10 o  275.936   3.6545  741.981   17.820 -15.22516 7.309021 
1 1 1    9   13   11 o  409.019   3.9864  1651.89   29.848 -13.49649 7.972719 
1 1 1    9   13   12 o   55.464   10.928   35.160   12.790 18.33242 21.85607 
1 1 1    9   13   13 o  118.108   6.1877  134.684   13.031 -9.467422 12.37550 
1 1 1    9   13   14 o  262.866   3.6997  689.472   17.525 -1.934906 7.399459 
1 1 1    9   13   15 o   37.424   9.9847   9.2628   10.501 -8.814545 19.96945 
1 1 1    9   13   16 o   97.242   5.4618   94.920   10.618 1.591141 10.92359 
1 1 1    9   13   17 o  172.646   3.3631  298.556   11.610 3.528961 6.726195 
1 1 1    9   13   18 o  124.041   4.4751  154.819   11.025 -17.67342 8.950284 
1 1 1    9   13   19 o  353.139   2.9667  1248.33   20.947 7.140350 5.933430 
1 1 1    9   13   20 o   61.067   8.8281   39.150   10.422 3.896450 17.65626 
1 1 1    9   13   21 o  273.214   2.7710  747.226   15.135 5.530090 5.541939 
1 1 1    9   13   22 o   31.801   9.4024   1.1900   10.122 6.912355 18.80487 
1 1 1    9   13   23 o  112.326   4.6485  127.124   10.428 -3.450798 9.296975 
1 1 1    9   13   26 o  138.911   4.2558  194.655   11.818 -5.722351 8.511604 
1 1 1    9   13   27 o   89.738   6.3984   84.319   10.967 -31.09771 12.79689 
1 1 1    9   13   29 f   62.009   9.1781   40.319   11.315 26.52283 18.35611 
1 1 1    9   13   30 o   34.213   9.9800   5.0644   11.025 0.7172165 19.96000 
1 1 1    9   13   32 o   31.529   9.8235  -3.3061   12.079 -0.3998814 19.64692 
1 1 1    9   13   33 o   90.686   6.8282   85.491   12.232 -9.753868 13.65634 
1 1 1    9   13   34 f   53.467   10.474   32.229   12.091 -16.47157 20.94811 
1 1 1    9   13   35 o   39.378   10.668   11.779   11.839 5.903591 21.33603 
1 1 1    9   13   36 o   80.616   7.1473   67.662   11.518 2.227142 14.29466 
1 1 1    9   14    0 f  266.679   3.6719  707.649   19.465 -12.80344 7.343740 
1 1 1    9   14    1 o  278.358   3.6940  774.047   20.511 -6.054169 7.387905 
1 1 1    9   14    2 o  467.824   4.8511  2131.26   44.477 -61.40070 9.702211 
1 1 1    9   14    3 o  320.282   5.5900  1026.57   35.808      ?      ? 
1 1 1    9   14    4 o  285.098   3.6893  813.267   20.851 -0.2180481 7.378541 
1 1 1    9   14    5 f  365.308   4.1037  1332.56   29.813 -7.810120 8.207435 
1 1 1    9   14    6 o  220.731   3.9744  493.747   17.226 16.65021 7.948738 
1 1 1    9   14    7 o  351.557   4.0788  1223.50   28.339 -24.23782 8.157659 
1 1 1    9   14    8 o  246.818   3.9681  607.738   19.323 -4.982605 7.936135 
1 1 1    9   14    9 o  258.598   4.6245  578.632   21.414 166.2767 9.249095 
1 1 1    9   14   10 o  678.840   5.8607  4591.50   74.250 -10.68280 11.72130 
1 1 1    9   14   11 o  186.427   4.2642  346.845   13.895 -1.195648 8.528337 
1 1 1    9   14   12 o  119.587   6.1124  143.532   12.747 0.2956848 12.22476 
1 1 1    9   14   13 o  134.074   5.6216  181.882   13.121 2.626877 11.24310 
1 1 1    9   14   14 o  231.223   3.8035  534.358   15.818 -0.9230499 7.607081 
1 1 1    9   14   15 o  157.293   4.9158  253.332   13.508 7.144577 9.831562 
1 1 1    9   14   16 o  206.095   2.9845  425.088   12.297 7.777252 5.969015 
1 1 1    9   14   17 o  137.446   5.6820  189.293   15.619      ?      ? 
1 1 1    9   14   18 o  208.417   2.9966  434.977   12.490 1.603531 5.993290 
1 1 1    9   14   19 o  179.164   3.1712  321.641   11.359 0.6648254E-01 6.342438 
1 1 1    9   14   20 o   50.103   9.6093   26.492   9.9044 -4.536690 19.21856 
1 1 1    9   14   21 o  127.083   4.0563  162.514   10.280 -4.673347 8.112606 
1 1 1    9   14   22 o   63.056   8.0942   41.496   9.9097 -5.911076 16.18843 
1 1 1    9   14   23 o   32.445   9.1246   0.5379   10.192 -15.50392 18.24918 
1 1 1    9   14   25 o   71.494   7.8523   52.430   11.204 -3.950462 15.70462 
1 1 1    9   14   26 o   88.200   6.0711   78.742   10.695 5.560173 12.14224 
1 1 1    9   14   27 o   77.089   9.6908   61.403   14.941      ?      ? 
1 1 1    9   14   28 o  207.201   4.4623  430.122   18.492      ?      ? 
1 1 1    9   14   29 o   40.144   10.023   13.898   10.720 -13.77553 20.04612 
1 1 1    9   14   30 o   54.324   9.3580   32.468   11.326 -30.20979 18.71600 
1 1 1    9   14   31 o   25.250   8.4883 -18.9889   11.736 -0.1329994 16.97661 
1 1 1    9   14   32 o   69.632   8.8072   52.421   11.807 -11.57266 17.61432 
1 1 1    9   14   33 f   59.601   9.3360   41.047   12.015 -38.49308 18.67202 
1 1 1    9   14   34 o   55.697   10.111   35.001   12.083 -24.19318 20.22219 
1 1 1    9   14   35 o  143.447   6.2073  207.826   17.808      ?      ? 
1 1 1    9   15    0 o  245.533   3.6730  605.484   17.962 11.91580 7.346079 
1 1 1    9   15    1 o  200.819   3.8992  406.277   15.558 16.67795 7.798452 
1 1 1    9   15    2 o  324.396   3.8675  1053.10   25.057 -1.502441 7.735073 
1 1 1    9   15    3 o  281.853   3.6933  793.222   20.618 -4.773376 7.386583 
1 1 1    9   15    4 o  410.315   4.3722  1682.04   35.743 -10.03412 8.744307 
1 1 1    9   15    5 o  290.326   3.7628  843.680   21.647 -0.1342773E-02 7.525611 
1 1 1    9   15    6 o  550.729   5.5578  3039.04   61.205 0.4654541 11.11554 
1 1 1    9   15    7 o  524.743   5.3527  2747.89   56.054 30.82504 10.70550 
1 1 1    9   15    8 o  216.930   4.2572  479.870   17.990 20.61440 8.514324 
1 1 1    9   15    9 o  172.977   4.7343  298.297   15.997 -3.701797 9.468580 
1 1 1    9   15   10 o  309.323   3.5012  962.742   19.849 4.158661 7.002439 
1 1 1    9   15   11 o  243.527   3.5204  602.418   15.543 8.720047 7.040808 
1 1 1    9   15   12 o  295.018   3.4765  881.789   19.008 9.692352 6.952956 
1 1 1    9   15   13 o  166.386   4.3369  269.057   13.097 -11.56331 8.673789 
1 1 1    9   15   14 o  157.235   4.8337  246.139   13.317 -2.118607 9.667395 
1 1 1    9   15   15 o  416.349   4.0310  1736.87   31.118 0.2706604 8.061976 
1 1 1    9   15   16 o  128.497   4.0721  165.447   10.465 1.212555 8.144124 
1 1 1    9   15   17 o  155.653   3.4887  242.760   10.860 0.6304779 6.977418 
1 1 1    9   15   18 o  254.685   2.7416  649.351   13.962 5.397949 5.483236 
1 1 1    9   15   19 o  149.156   3.5236  222.747   10.504 5.088120 7.047192 
1 1 1    9   15   20 o  128.708   3.9381  165.785   10.116 5.480545 7.876193 
1 1 1    9   15   21 f   78.687   6.2734   63.413   9.7454 -10.53022 12.54679 
1 1 1    9   15   22 o   48.836   9.5449   24.683   9.8181 13.38433 19.08989 
1 1 1    9   15   23 o  206.147   4.3238  426.172   17.827      ?      ? 
1 1 1    9   15   24 o   28.353   12.797  -7.8898   15.392      ?      ? 
1 1 1    9   15   25 o   74.146   6.8673   56.551   10.074 -9.753044 13.73462 
1 1 1    9   15   26 o  133.310   3.9924  179.625   10.601 -10.32242 7.984867 
1 1 1    9   15   27 o   29.612   13.003  -3.3333   14.790      ?      ? 
1 1 1    9   15   28 o   57.928   9.1197   36.223   10.644 -19.87685 18.23936 
1 1 1    9   15   29 o   69.980   8.0649   51.346   10.803 21.43890 16.12979 
1 1 1    9   15   30 o  104.731   5.5041  110.765   11.498 4.166580 11.00815 
1 1 1    9   15   31 o   95.222   6.0798   92.029   11.549 7.586464 12.15969 
1 1 1    9   15   32 o   91.968   6.3608   85.531   11.623 11.85832 12.72154 
1 1 1    9   15   33 o   41.186   9.7562   11.982   11.736 -25.79502 19.51246 
1 1 1    9   15   34 o   39.460   10.232   9.8982   11.838 18.52698 20.46432 
1 1 1    9   15   35 o  108.948   5.9181  122.409   12.737 -4.629990 11.83615 
1 1 1    9   16    0 o  254.161   3.6489  647.506   18.465 4.345215 7.297871 
1 1 1    9   16    1 o  287.060   3.6963  824.268   21.117 -1.626617 7.392618 
1 1 1    9   16    2 o  338.632   3.9247  1148.60   26.562 11.59958 7.849432 
1 1 1    9   16    3 o  327.234   3.3821  1081.02   20.434 7.670868 6.764236 
1 1 1    9   16    4 o  197.352   4.1084  404.407   15.614 39.39236 8.216846 
1 1 1    9   16    5 o  275.523   3.7706  764.640   20.629 18.71066 7.541220 
1 1 1    9   16    6 o  262.838   3.8190  690.622   19.768 -2.017242 7.637920 
1 1 1    9   16    7 o  409.755   4.4299  1676.03   36.122 -12.82553 8.859863 
1 1 1    9   16    8 o  387.550   4.2886  1501.36   33.110 -8.036316 8.577219 
1 1 1    9   16    9 o  366.820   4.1701  1347.92   30.514 1.104065 8.340299 
1 1 1    9   16   10 o  394.931   4.3478  1562.02   34.269 -1.748322 8.695546 
1 1 1    9   16   11 o  243.762   3.5569  599.607   15.488 4.396957 7.113878 
1 1 1    9   16   12 o  139.401   5.0616  199.354   12.251 6.752747 10.12312 
1 1 1    9   16   13 o  351.289   3.6223  1244.06   23.734 6.631500 7.244675 
1 1 1    9   16   14 o  279.699   3.4996  792.593   17.996 8.562622 6.999212 
1 1 1    9   16   15 o  270.558   3.4839  727.664   17.070 -4.583893 6.967812 
1 1 1    9   16   16 o  266.351   3.6315  706.258   17.231 -3.661743 7.262903 
1 1 1    9   16   17 o  281.219   2.7177  791.969   15.284 4.073975 5.435346 
1 1 1    9   16   18 o  102.306   4.7749  105.157   9.7661 -0.6154785 9.549879 
1 1 1    9   16   19 o   51.696   9.2181   28.402   9.5421 -3.956230 18.43629 
1 1 1    9   16   20 o   80.589   5.9578   65.383   9.5843 4.574997 11.91559 
1 1 1    9   16   21 o  100.037   4.8943  100.683   9.7731 1.563156 9.788689 
1 1 1    9   16   22 o  137.411   5.4321  189.923   14.929      ?      ? 
1 1 1    9   16   23 o  225.972   4.1099  511.177   18.574      ?      ? 
1 1 1    9   16   24 o   59.210   8.6602   37.534   10.056 -11.77778 17.32032 
1 1 1    9   16   25 o  103.547   4.8669  108.504   10.048 -3.414490 9.733714 
1 1 1    9   16   26 o   56.443   8.6250   35.275   10.356 37.34566 17.25009 
1 1 1    9   16   27 o   21.548   10.575 -30.6836   15.562      ?      ? 
1 1 1    9   16   28 o   59.281   9.0997   39.512   10.721 -22.42031 18.19940 
1 1 1    9   16   29 o  122.357   4.6102  148.784   11.198 16.97628 9.220488 
1 1 1    9   16   30 f   52.327   10.295   29.913   11.133 6.941795 20.58919 
1 1 1    9   16   31 o   39.496   10.458   13.447   11.191 -2.556580 20.91544 
1 1 1    9   16   32 o   44.186   10.649   20.162   11.303 -2.890903 21.29731 
1 1 1    9   16   33 o   84.200   7.0644   72.588   11.796 15.46423 14.12888 
1 1 1    9   16   34 o  120.580   5.1862  147.176   12.494 -4.901100 10.37238 
1 1 1    9   17    0 f  849.102   8.3249  7243.70  141.311 -14.57739 16.64989 
1 1 1    9   17    1 o  426.931   4.5041  1823.21   38.434 17.73404 9.008186 
1 1 1    9   17    2 o  687.853   6.7954  4723.15   93.091 -37.61060 13.59077 
1 1 1    9   17    3 o  377.737   3.6042  1448.57   25.637 16.52991 7.208478 
1 1 1    9   17    4 o  199.278   3.5032  401.574   12.154 4.261780 7.006337 
1 1 1    9   17    5 o  213.507   3.8088  459.688   15.885 7.547653 7.617586 
1 1 1    9   17    6 o   87.166   8.2714   82.715   12.716 18.14639 16.54288 
1 1 1    9   17    7 f   83.839   8.5492   74.394   12.903 10.43278 17.09848 
1 1 1    9   17    8 o  128.974   5.6319  171.339   13.798 12.28129 11.26379 
1 1 1    9   17    9 o  196.215   4.1485  384.106   15.858 -3.426880 8.297063 
1 1 1    9   17   10 o  176.857   4.4631  313.130   15.388 -0.7859955 8.926143 
1 1 1    9   17   11 o  218.538   3.6809  482.958   14.248 4.729568 7.361816 
1 1 1    9   17   12 o  299.899   3.4553  896.889   18.962 -2.972534 6.910607 
1 1 1    9   17   13 o  186.672   3.9705  354.055   13.233 6.079468 7.940927 
1 1 1    9   17   14 o  284.001   5.7439  808.445   32.625      ?      ? 
1 1 1    9   17   15 o  125.273   5.3120  158.889   11.616 2.174286 10.62407 
1 1 1    9   17   16 o  199.909   3.7966  407.055   13.449 7.135193 7.593286 
1 1 1    9   17   17 o   23.086   8.0530 -29.3972   11.312 -5.965338 16.10600 
1 1 1    9   17   18 o   90.464   5.2815   82.810   9.5047 -7.853363 10.56303 
1 1 1    9   17   19 o  251.554   2.6565  634.092   13.363 -0.1083984 5.312914 
1 1 1    9   17   20 o  230.194   2.6835  530.703   12.350 4.939224 5.367009 
1 1 1    9   17   21 f   88.510   7.6915   79.311   13.615      ?      ? 
1 1 1    9   17   23 o  108.587   4.6827  120.035   10.034 -4.627495 9.365342 
1 1 1    9   17   24 o   43.735   9.2562   19.808   9.4263 -16.87329 18.51240 
1 1 1    9   17   25 f   27.628   8.6947  -3.9959   9.7553 4.218166 17.38948 
1 1 1    9   17   26 o   95.649   5.5493   92.609   10.549 7.833260 11.09866 
1 1 1    9   17   27 o   75.397   6.9429   58.695   10.376 -11.60513 13.88576 
1 1 1    9   17   28 o   41.217   10.259   15.483   10.483 8.247902 20.51718 
1 1 1    9   17   29 o   20.642   7.2164 -33.0245   10.849 1.278160 14.43271 
1 1 1    9   17   30 f  110.061   5.1487  122.865   11.248 0.8619537 10.29745 
1 1 1    9   17   31 f   34.501   9.9876   5.7949   10.970 -1.348160 19.97526 
1 1 1    9   17   32 o  112.464   5.2500  127.208   11.737 11.82948 10.50005 
1 1 1    9   17   33 f   76.418   8.0917   62.332   11.776 -11.87246 16.18339 
1 1 1    9   17   34 o   48.602   10.208   24.804   11.536 -22.91889 20.41528 
1 1 1    9   18    0 o  466.354   4.7912  2177.56   44.640 -7.630676 9.582437 
1 1 1    9   18    1 o  511.581   5.1743  2622.75   52.921 -4.362579 10.34859 
1 1 1    9   18    2 o  266.993   3.6261  716.836   19.277 21.49414 7.252124 
1 1 1    9   18    3 o  385.553   3.6554  1471.24   25.699 -10.49463 7.310769 
1 1 1    9   18    4 o  284.783   5.4812  812.159   31.219      ?      ? 
1 1 1    9   18    5 o  241.585   3.6366  584.942   17.278 1.336914 7.273163 
1 1 1    9   18    6 o  229.093   3.7030  526.242   16.651 1.603745 7.405919 
1 1 1    9   18    7 o  280.987   3.7242  790.303   20.743 -1.048676 7.448481 
1 1 1    9   18    8 o  157.384   4.6442  244.730   14.268 -9.907745 9.288327 
1 1 1    9   18    9 o  188.279   4.1935  358.093   15.436 7.703384 8.386923 
1 1 1    9   18   10 o  110.898   6.6290  128.410   13.918 15.62484 13.25808 
1 1 1    9   18   11 o  140.431   4.7730  198.660   11.679 1.505234 9.546084 
1 1 1    9   18   12 o  163.955   7.3151  269.754   23.987      ?      ? 
1 1 1    9   18   13 o  282.510   3.3903  798.578   17.419 -0.6700745 6.780602 
1 1 1    9   18   14 o  249.918   3.3828  620.467   15.135 -4.709991 6.765670 
1 1 1    9   18   15 o  349.540   3.5437  1225.02   22.943 0.5593872 7.087390 
1 1 1    9   18   16 o  176.147   4.0138  317.798   12.408 8.038620 8.027678 
1 1 1    9   18   17 o  132.808   5.0795  185.526   11.637 12.77530 10.15896 
1 1 1    9   18   18 o   60.705   9.4635   48.267   11.124 34.59627 18.92692 
1 1 1    9   18   19 o  275.536   2.5895  759.956   14.259 6.843842 5.178907 
1 1 1    9   18   20 o  108.800   5.8941  119.223   12.826      ?      ? 
1 1 1    9   18   22 o  108.671   4.5239  118.442   9.6883 4.986359 9.047894 
1 1 1    9   18   23 o  138.968   3.5651  193.994   9.8689 1.158737 7.130157 
1 1 1    9   18   24 o   28.349   8.7303  -3.7964   9.6109 9.414988 17.46051 
1 1 1    9   18   26 o   62.646   8.8116   43.573   10.752 -28.28755 17.62328 
1 1 1    9   18   27 o   86.679   6.3236   78.299   10.738 -11.64101 12.64717 
1 1 1    9   18   28 f   37.059   14.732   8.4749   16.304      ?      ? 
1 1 1    9   18   29 o   42.319   10.360   17.628   10.775 -4.714081 20.72044 
1 1 1    9   18   30 o   86.124   6.4461   77.122   10.895 -8.506493 12.89215 
1 1 1    9   18   31 o   72.912   7.7717   54.358   11.219 10.14771 15.54337 
1 1 1    9   18   32 o   31.290   9.6459  -2.1351   11.584 -3.788675 19.29175 
1 1 1    9   18   33 o   56.148   9.8733   34.184   11.371 20.04581 19.74659 
1 1 1    9   19    0 o  433.601   4.5039  1884.17   39.047 0.7659912E-02 9.007804 
1 1 1    9   19    1 o  252.278   3.5284  639.083   17.740 10.39124 7.056817 
1 1 1    9   19    2 f  284.450   3.6038  811.253   20.455 5.774445 7.207645 
1 1 1    9   19    3 f  218.709   3.2248  490.615   12.488 11.88074 6.449631 
1 1 1    9   19    4 o  429.267   3.9007  1855.48   31.429 6.806396 7.801439 
1 1 1    9   19    5 o  172.827   3.8523  322.417   11.223 26.36961 7.704603 
1 1 1    9   19    6 o  319.162   3.8010  1021.20   24.147 2.674744 7.602099 
1 1 1    9   19    7 o  201.923   3.9263  406.293   15.454 -4.689209 7.852553 
1 1 1    9   19    8 o   71.871   9.7810   56.595   12.932 15.72949 19.56208 
1 1 1    9   19    9 o  343.267   3.9914  1178.27   27.233 -5.899506 7.982862 
1 1 1    9   19   10 o  149.339   4.9385  224.637   14.027 2.118546 9.877079 
1 1 1    9   19   11 o  214.489   3.6112  477.029   13.746 16.93045 7.222303 
1 1 1    9   19   12 o   51.386   10.706   23.239   10.468 -17.58574 21.41125 
1 1 1    9   19   13 o  235.440   3.3562  556.268   14.094 0.9169006 6.712478 
1 1 1    9   19   14 o  212.162   3.4321  455.961   12.999 5.271393 6.864249 
1 1 1    9   19   15 o   55.603   9.8213   34.489   10.341 11.74823 19.64259 
1 1 1    9   19   16 o   23.907   8.2508 -23.0976   10.462 -9.023207 16.50155 
1 1 1    9   19   17 o  112.343   5.6067  131.089   10.919 7.288651 11.21341 
1 1 1    9   19   18 o  103.142   6.0873  112.607   10.956 10.91853 12.17454 
1 1 1    9   19   19 o  216.474   3.6506  462.952   14.288 -8.007278 7.301264 
1 1 1    9   19   21 o   50.871   8.3738   29.105   9.0942 -27.02353 16.74765 
1 1 1    9   19   22 o   44.415   9.4327   20.930   9.1907 -7.305386 18.86543 
1 1 1    9   19   23 o  109.523   4.5187  120.621   9.8037 5.744286 9.037373 
1 1 1    9   19   25 o   60.930   8.8702   40.228   10.457 -8.284679 17.74041 
1 1 1    9   19   26 o   80.518   6.6742   68.824   10.368 -18.52531 13.34832 
1 1 1    9   19   27 o  171.389   3.4218  293.492   11.628 6.755203 6.843523 
1 1 1    9   19   28 o  148.445   3.8341  222.899   11.248 -2.902756 7.668275 
1 1 1    9   19   29 o   38.154   9.8547   12.106   10.457 -11.32806 19.70945 
1 1 1    9   19   30 o   45.684   10.128   20.622   10.521 16.54168 20.25691 
1 1 1    9   19   31 o   28.069   8.9604  -8.0159   11.030 -4.374401 17.92080 
1 1 1    9   19   32 o  101.305   5.6121  104.295   11.335 -0.2159729 11.22412 
1 1 1    9   20    0 o  467.705   4.7981  2193.25   44.878 7.607880 9.596167 
1 1 1    9   20    1 o  460.891   4.7281  2130.13   43.578 2.067444 9.456170 
1 1 1    9   20    2 o  216.961   3.2070  490.777   12.342 20.32716 6.413972 
1 1 1    9   20    3 o  283.289   3.1483  792.151   15.970 -8.761902 6.296675 
1 1 1    9   20    4 o  515.617   4.5482  2633.11   43.245 -15.46655 9.096414 
1 1 1    9   20    5 o  154.284   3.9198  240.995   9.9950 3.066986 7.839503 
1 1 1    9   20    6 o  150.995   7.1916  228.719   21.718      ?      ? 
1 1 1    9   20    7 o  250.889   3.5756  605.339   17.195 -33.46521 7.151234 
1 1 1    9   20    8 o  177.575   4.0062  281.133   13.302 -56.70665 8.012499 
1 1 1    9   20    9 o  140.314   4.8751  203.678   12.514 11.28459 9.750256 
1 1 1    9   20   10 o  339.192   3.8661  1145.44   25.907 -15.20590 7.732275 
1 1 1    9   20   11 o  208.320   3.7359  434.590   15.105 -0.9964752 7.471776 
1 1 1    9   20   12 f  186.473   3.5335  349.785   11.492 1.561935 7.067060 
1 1 1    9   20   13 o   86.129   6.5522   72.143   9.8185 -5.967827 13.10440 
1 1 1    9   20   14 o   61.497   9.1802   37.422   9.8844 -7.899757 18.36040 
1 1 1    9   20   15 o   98.978   6.3907  110.194   10.304 21.24658 12.78134 
1 1 1    9   20   16 o  179.251   3.7686  324.240   11.859 2.224350 7.537103 
1 1 1    9   20   17 o   31.516   9.4095   0.6833   10.543 5.148577 18.81890 
1 1 1    9   20   18 o  307.993   5.7383  952.189   35.347      ?      ? 
1 1 1    9   20   19 o   90.536   9.2344  128.732   11.994 81.97459 18.46886 
1 1 1    9   20   20 o   77.989   5.7965   62.561   8.9044 -6.803032 11.59297 
1 1 1    9   20   21 o  123.780   3.7306  153.467   9.2146 7.937843 7.461218 
1 1 1    9   20   22 o   23.058   7.6048 -14.7571   9.2125 -6.820408 15.20951 
1 1 1    9   20   24 o  123.150   4.2699  153.234   10.475 -0.1567383 8.539800 
1 1 1    9   20   25 o   64.517   8.1769   45.436   10.041 -15.56564 16.35378 
1 1 1    9   20   26 o   88.075   5.9546   79.943   10.279 -9.489494 11.90923 
1 1 1    9   20   27 o   46.653   9.1767   23.750   10.266 -25.81049 18.35345 
1 1 1    9   20   28 o   29.221   9.0726  -3.6628   10.547 -5.200159 18.14527 
1 1 1    9   20   29 o   96.576   5.5790   95.323   10.638 -1.026222 11.15792 
1 1 1    9   20   30 o   63.122   8.7024   42.633   10.638 -3.982887 17.40479 
1 1 1    9   20   31 o  127.748   4.5534  167.095   11.476 -15.50649 9.106887 
1 1 1    9   20   32 o   54.611   9.7474   33.890   10.683 -6.111839 19.49487 
1 1 1    9   21    0 o  187.365   3.6447  350.525   13.493 -3.789490 7.289362 
1 1 1    9   21    1 o  246.526   3.5122  609.348   17.282 4.320206 7.024447 
1 1 1    9   21    2 o  325.614   3.2474  1069.71   19.529 6.613861 6.494787 
1 1 1    9   21    3 f  277.999   3.0926  772.851   15.405 -0.6544800 6.185233 
1 1 1    9   21    4 o  184.241   5.9424  340.333   21.897      ?      ? 
1 1 1    9   21    5 o  204.322   5.7760  418.602   23.603      ?      ? 
1 1 1    9   21    6 o  122.356   8.4095  150.665   20.579      ?      ? 
1 1 1    9   21    7 o   28.959   8.9202  -0.0880   8.6823 -1.391176 17.84031 
1 1 1    9   21    8 o  115.875   5.3458  140.047   11.145 10.64078 10.69170 
1 1 1    9   21    9 o  151.794   4.1514  225.932   11.602 -8.473083 8.302748 
1 1 1    9   21   10 o  186.204   3.7032  343.691   13.080 -6.446854 7.406455 
1 1 1    9   21   11 o  136.268   4.4548  182.608   11.350 -7.665222 8.909521 
1 1 1    9   21   12 o  126.472   4.4960  154.435   9.6388 -8.951759 8.991914 
1 1 1    9   21   13 o  231.244   3.1856  526.091   13.009 -8.959198 6.371147 
1 1 1    9   21   14 o  186.000   3.4717  341.502   11.324 -5.992081 6.943451 
1 1 1    9   21   15 o   98.268   5.8172   93.821   9.7494 -6.693497 11.63437 
1 1 1    9   21   16 o   23.367   11.614 -50.2064   21.054      ?      ? 
1 1 1    9   21   17 o  210.147   3.5003  404.263   12.694 -35.01653 7.000525 
1 1 1    9   21   18 f   85.014   7.6590   75.917   10.953 6.336716 15.31799 
1 1 1    9   21   19 o  178.824   3.8222  307.723   11.980 -15.41463 7.644460 
1 1 1    9   21   20 o  126.286   5.0306  160.859   11.009 0.1753464 10.06119 
1 1 1    9   21   21 o   27.399   13.219 -28.9116   21.681      ?      ? 
1 1 1    9   21   23 o   82.834   5.7348   70.430   9.4217 -10.54800 11.46965 
1 1 1    9   21   24 o   46.533   9.5745   23.348   9.4787 5.365505 19.14901 
1 1 1    9   21   25 o   94.996   5.3999   92.852   10.053 -19.82429 10.79973 
1 1 1    9   21   26 f   19.733   6.9074 -31.8896   10.160 -0.8180218 13.81487 
1 1 1    9   21   27 o  115.184   4.8089  135.147   10.952 -3.730881 9.617869 
1 1 1    9   21   28 o  133.601   4.3287  179.203   11.465 7.600250 8.657324 
1 1 1    9   21   29 o   76.092   7.2475   58.660   10.887 17.03197 14.49507 
1 1 1    9   21   30 f   42.954   10.425   18.337   10.804 0.7617683 20.84955 
1 1 1    9   21   31 o   36.414   9.9897   9.9928   10.406 0.1885681 19.97932 
1 1 1    9   22    0 o  115.266   5.3285  136.015   12.042 23.04256 10.65697 
1 1 1    9   22    1 o  176.774   3.7671  312.530   13.227 -3.944962 7.534243 
1 1 1    9   22    2 o  215.858   3.0130  466.183   11.285 -0.3798676 6.025954 
1 1 1    9   22    3 o  238.399   3.0289  569.380   12.545 0.2076111 6.057810 
1 1 1    9   22    4 o  268.016   3.0850  709.944   14.402 -7.097656 6.169961 
1 1 1    9   22    5 o  367.458   3.5100  1336.43   23.373 -10.47876 7.019945 
1 1 1    9   22    6 o  293.618   3.1630  862.007   16.606 -1.081268 6.325927 
1 1 1    9   22    7 o  231.462   3.0917  533.231   12.278 -2.740295 6.183359 
1 1 1    9   22    8 f  145.147   3.8068  207.665   8.8831 -3.974121 7.613653 
1 1 1    9   22    9 o   30.568   9.4353  -1.8372   10.076 -6.433954 18.87064 
1 1 1    9   22   10 o  141.503   4.2547  203.984   11.114 5.587402 8.509499 
1 1 1    9   22   11 o  220.673   3.4280  483.366   14.603 -8.634125 6.855927 
1 1 1    9   22   12 o  222.144   3.4905  487.178   14.912 -12.58374 6.981007 
1 1 1    9   22   13 o  206.112   3.3005  409.367   11.508 -14.80188 6.601011 
1 1 1    9   22   14 o   24.076   11.902 -46.4473   21.137      ?      ? 
1 1 1    9   22   15 o  168.086   7.1135  283.998   23.914      ?      ? 
1 1 1    9   22   16 o  190.191   3.9690  406.199   12.330 42.93584 7.937915 
1 1 1    9   22   17 o   27.930   9.1820 -21.5059   9.8153 -22.89778 18.36395 
1 1 1    9   22   18 o   57.220   9.9886   28.891   10.109 -22.96523 19.97716 
1 1 1    9   22   19 o   31.082   9.6500  -1.2632   10.214 -6.948387 19.30007 
1 1 1    9   22   20 o  162.115   7.1729  267.987   23.257      ?      ? 
1 1 1    9   22   21 o  137.586   8.7451  190.720   24.064      ?      ? 
1 1 1    9   22   22 o  108.609   10.693  121.850   23.227      ?      ? 
1 1 1    9   22   23 o   23.754   7.7829 -15.1089   9.3646 -9.192507 15.56582 
1 1 1    9   22   24 f  114.734   6.1198  132.609   14.043      ?      ? 
1 1 1    9   22   25 o  106.202   4.7992  114.632   10.159 -0.2791824 9.598372 
1 1 1    9   22   26 o  182.021   3.1868  333.626   11.562 -1.644455 6.373592 
1 1 1    9   22   27 o   89.571   5.8395   82.157   10.424 -3.001251 11.67901 
1 1 1    9   22   28 o   64.474   8.7291   44.585   10.809 5.243744 17.45829 
1 1 1    9   22   29 o   38.387   10.352   11.740   11.023 2.515541 20.70308 
1 1 1    9   22   30 o   87.890   8.8854   79.035   15.619      ?      ? 
1 1 1    9   23    0 o  221.183   3.4518  489.653   15.251 -6.695450 6.903698 
1 1 1    9   23    1 o  299.930   3.0684  898.482   16.830 -2.120728 6.136726 
1 1 1    9   23    2 o  176.076   3.2494  321.199   9.6178 11.36957 6.498879 
1 1 1    9   23    3 o  133.427   4.0019  181.332   8.2517 3.470871 8.003861 
1 1 1    9   23    4 o  315.313   5.4340  997.517   34.268      ?      ? 
1 1 1    9   23    5 o  128.677   4.1886  166.592   8.1393 0.7482147 8.377183 
1 1 1    9   23    6 o  105.514   4.6949   98.415   7.7043 -19.99428 9.389853 
1 1 1    9   23    7 o  135.924   3.8686  177.001   8.1400 -9.469177 7.737113 
1 1 1    9   23    8 o   84.181   6.1577   72.034   7.7861 1.340263 12.31543 
1 1 1    9   23    9 o  186.960   3.1699  334.946   9.7205 -14.17720 6.339883 
1 1 1    9   23   10 o  187.781   3.5383  357.247   12.628 6.062302 7.076662 
1 1 1    9   23   11 o   81.043   7.1170   67.842   10.432 3.883842 14.23394 
1 1 1    9   23   12 f  165.070   4.1912  278.573   12.700 6.885956 8.382442 
1 1 1    9   23   13 o  137.123   8.4155  189.505   23.079      ?      ? 
1 1 1    9   23   14 o  270.242   5.8543  731.793   31.642      ?      ? 
1 1 1    9   23   15 o  133.023   4.7647  174.994   10.361 -3.959320 9.529319 
1 1 1    9   23   16 o  271.890   3.3006  715.577   15.681 -19.45358 6.601123 
1 1 1    9   23   17 o   92.987   6.6653   90.205   9.9619 4.903076 13.33066 
1 1 1    9   23   18 o  197.967   3.5500  400.373   12.300 6.577698 7.100040 
1 1 1    9   23   19 o   24.949   8.4506 -16.8549   10.347 -6.405951 16.90114 
1 1 1    9   23   20 f  161.618   4.2866  263.946   12.169 2.141479 8.573212 
1 1 1    9   23   21 o  228.695   3.5412  507.563   14.358 -17.01585 7.082422 
1 1 1    9   23   22 o   58.980   10.606   33.550   11.433 -17.81223 21.21158 
1 1 1    9   23   23 f   88.254   13.151   80.588   23.212      ?      ? 
1 1 1    9   23   24 o   45.627   9.6216   22.197   9.4357 6.516788 19.24315 
1 1 1    9   23   25 o   71.634   7.6517   58.284   9.8208 -29.39222 15.30333 
1 1 1    9   23   26 o  101.986   5.0540  106.001   10.268 -3.932716 10.10792 
1 1 1    9   23   27 o   86.863   5.9845   77.120   10.368 8.907486 11.96892 
1 1 1    9   23   28 f   45.835   10.200   22.339   10.437 2.467514 20.39903 
1 1 1    9   23   29 o  112.137   4.6136  127.586   10.317 8.421799 9.227205 
1 1 1    9   24    0 o  147.447   4.1033  217.856   12.084 -7.219040 8.206667 
1 1 1    9   24    1 o  161.046   3.2710  266.151   8.8493 7.229691 6.542097 
1 1 1    9   24    2 o  270.038   2.9777  723.487   14.300 -5.746338 5.955363 
1 1 1    9   24    3 o  189.551   3.1625  379.421   10.013 19.09796 6.325099 
1 1 1    9   24    4 o  248.342   2.9796  614.963   12.801 -2.377350 5.959174 
1 1 1    9   24    5 o  472.139   4.2018  2233.03   36.955 -3.577911 8.403585 
1 1 1    9   24    6 o  180.940   3.2762  349.780   9.3814 20.00999 6.552377 
1 1 1    9   24    7 o  112.822   4.4359  123.181   7.2502 -5.777618 8.871795 
1 1 1    9   24    8 o  138.855   3.8619  200.940   8.0954 8.407349 7.723742 
1 1 1    9   24    9 o   48.148   9.0705   25.696   7.6579 7.700375 18.14091 
1 1 1    9   24   10 o  141.635   4.2885  212.078   9.3529 11.89865 8.576920 
1 1 1    9   24   11 o  155.642   6.3437  108.260   12.184 -262.0500 12.68736 
1 1 1    9   24   12 o  224.073   3.6673  509.050   15.982 12.63014 7.334676 
1 1 1    9   24   13 o  210.400   3.7419  451.845   15.252 13.86635 7.483781 
1 1 1    9   24   14 f   51.539   9.8284   25.324   8.9274 -10.70631 19.65676 
1 1 1    9   24   15 o  134.118   4.2158  184.500   9.5459 5.152802 8.431700 
1 1 1    9   24   16 o   36.159   9.6619   10.848   9.0738 2.292042 19.32373 
1 1 1    9   24   17 o   90.781   11.551   86.656   20.971      ?      ? 
1 1 1    9   24   18 o  156.682   7.3775  246.709   23.118      ?      ? 
1 1 1    9   24   19 o   66.180   16.368   48.721   21.572      ?      ? 
1 1 1    9   24   20 o   46.086   10.751   18.085   10.113 -17.46040 21.50274 
1 1 1    9   24   21 f   86.368   12.971   77.723   22.405      ?      ? 
1 1 1    9   24   22 o   38.201   9.7755   10.744   11.435 16.65423 19.55100 
1 1 1    9   24   23 o  135.965   4.9685  192.383   12.232 9.598022 9.937015 
1 1 1    9   24   24 f   42.440   10.721   6.7424   11.907 -30.13360 21.44149 
1 1 1    9   24   25 o   43.908   9.5358   20.433   9.8220 -15.31749 19.07157 
1 1 1    9   24   26 o  125.421   4.2763  159.096   10.722 0.8301849 8.552640 
1 1 1    9   24   27 o   58.378   9.2604   37.266   10.572 8.288158 18.52085 
1 1 1    9   24   28 o   77.617   9.2470   61.686   14.355      ?      ? 
1 1 1    9   25    0 o  116.671   4.9287  137.738   11.446 7.394669 9.857448 
1 1 1    9   25    1 o  200.468   2.9451  400.366   10.074 -2.185623 5.890257 
1 1 1    9   25    2 f  328.310   3.2117  1075.96   19.219 -3.544464 6.423491 
1 1 1    9   25    3 o  250.677   2.9382  639.170   13.114 8.312408 5.876363 
1 1 1    9   25    4 o  148.914   3.5880  229.255   8.3369 7.432755 7.175918 
1 1 1    9   25    5 o  134.049   7.2037  181.584   19.313      ?      ? 
1 1 1    9   25    6 o   65.421   7.7290   35.955   7.5413 -18.55727 15.45794 
1 1 1    9   25    7 f  223.229   5.7674  500.477   25.749      ?      ? 
1 1 1    9   25    8 o  241.408   5.6561  584.086   27.309      ?      ? 
1 1 1    9   25    9 o  237.053   5.8025  563.079   27.510      ?      ? 
1 1 1    9   25   10 o   43.751   8.5443   23.942   7.9993 20.67241 17.08862 
1 1 1    9   25   11 o  244.917   5.4547  604.842   26.719      ?      ? 
1 1 1    9   25   12 f  242.982   3.4229  591.442   16.299 -3.110779 6.845742 
1 1 1    9   25   13 f   48.599   10.067   26.054   10.232 7.670406 20.13460 
1 1 1    9   25   14 o   29.763   9.1237  -0.0445   8.4109 -10.00258 18.24742 
1 1 1    9   25   15 o  116.629   8.3327  140.435   19.437      ?      ? 
1 1 1    9   25   16 o  110.807   9.0240  123.758   19.999      ?      ? 
1 1 1    9   25   17 o  154.654   4.0545  239.611   10.654 -0.7224426 8.108912 
1 1 1    9   25   18 o   38.464   10.042   1.7469   9.4555 -30.81318 20.08477 
1 1 1    9   25   19 o   27.414   13.173 -27.9417   21.009      ?      ? 
1 1 1    9   25   20 f  178.566   6.7875  321.836   24.240      ?      ? 
1 1 1    9   25   21 o  118.265   9.3831  144.099   22.194      ?      ? 
1 1 1    9   25   22 o   50.445   10.263   29.199   10.663 10.55235 20.52508 
1 1 1    9   25   23 o   89.693   7.3601   87.077   11.522 11.00987 14.72023 
1 1 1    9   25   24 o   60.973   10.217   43.154   11.649 13.01247 20.43340 
1 1 1    9   25   25 o   38.971   10.709   11.708   11.946 4.775726 21.41786 
1 1 1    9   25   26 o  118.767   5.7040  135.978   12.379 -14.57967 11.40797 
1 1 1    9   25   27 o   71.314   6.8324   51.939   9.6925 -10.47250 13.66488 
1 1 1    9   26    0 o  104.796   4.1571  109.957   8.7130      ?      ? 
1 1 1    9   26    1 o  208.389   2.9291  397.455   10.285 -32.64653 5.858168 
1 1 1    9   26    2 o  185.626   3.0953  350.512   9.8739 5.973923 6.190668 
1 1 1    9   26    3 o  245.598   5.0441  604.105   24.777      ?      ? 
1 1 1    9   26    4 o  325.389   3.2261  1094.05   20.100 42.47375 6.452209 
1 1 1    9   26    5 o  247.551   5.3393  614.016   26.435      ?      ? 
1 1 1    9   26    6 o  320.120   3.3187  998.302   18.617 -18.13010 6.637337 
1 1 1    9   26    7 f   75.601   14.000   61.381   20.373      ?      ? 
1 1 1    9   26    8 o  240.882   5.5557  584.941   26.765      ?      ? 
1 1 1    9   26    9 o  211.987   3.0981  439.968   10.092 -7.653275 6.196179 
1 1 1    9   26   10 o  201.016   3.0107  392.686   9.2732 -9.473557 6.021427 
1 1 1    9   26   11 f   82.318   5.7816   68.475   6.1701 0.5091248 11.56326 
1 1 1    9   26   12 f   69.803   8.2980   68.082   6.4983 30.88977 16.59599 
1 1 1    9   26   13 o   56.131   6.5713   52.020   9.1940 64.39931 13.14259 
1 1 1    9   26   14 o  188.471   3.3968  348.817   12.157 -11.64041 6.793640 
1 1 1    9   26   15 o   47.555   8.4956   28.056   8.2994 22.03704 16.99115 
1 1 1    9   26   16 o  106.553   8.7215  115.994   18.586      ?      ? 
1 1 1    9   26   17 o  104.479   5.6586  121.188   9.3265 17.17428 11.31720 
1 1 1    9   26   18 o   51.652   10.143   22.403   9.5077 -23.83956 20.28665 
1 1 1    9   26   19 o   89.371   11.948   82.443   21.355      ?      ? 
1 1 1    9   26   20 o   39.604   10.460   13.510   9.9653 -4.703854 20.92098 
1 1 1    9   26   21 o   35.306   9.5675   8.9166   10.188 9.611300 19.13498 
1 1 1    9   26   22 o   46.428   9.6682   25.514   10.731 20.99786 19.33640 
1 1 1    9   26   23 o   64.217   9.8771   46.429   11.110 8.331707 19.75429 
1 1 1    9   26   24 o   72.634   8.7562   51.107   11.287 -13.44077 17.51241 
1 1 1    9   26   25 o   85.281   7.6252   72.828   11.934 -5.126457 15.25036 
1 1 1    9   26   26 o   36.830   10.443   8.8809   11.271 0.1997070 20.88698 
1 1 1    9   27    0 o  140.493   6.0647  199.201   17.041      ?      ? 
1 1 1    9   27    1 o  300.377   3.0557  900.620   16.658 -3.995575 6.111435 
1 1 1    9   27    2 o  235.367   2.8658  558.878   11.688 2.831451 5.731581 
1 1 1    9   27    3 o  103.419   8.2230  108.475   17.008      ?      ? 
1 1 1    9   27    4 o   98.147   8.7679   97.766   17.211      ?      ? 
1 1 1    9   27    5 o  117.164   7.6186  138.815   17.853      ?      ? 
1 1 1    9   27    6 o  118.287   7.4304  141.505   17.578      ?      ? 
1 1 1    9   27    7 o  109.320   8.1022  121.161   17.715      ?      ? 
1 1 1    9   27    8 f  139.727   6.6164  197.003   18.490      ?      ? 
1 1 1    9   27    9 f  127.449   6.9662  164.657   17.757      ?      ? 
1 1 1    9   27   10 o  111.439   7.7111  127.567   17.186      ?      ? 
1 1 1    9   27   11 o  168.539   5.7402  285.290   19.349      ?      ? 
1 1 1    9   27   12 o  219.224   5.1791  481.825   22.708      ?      ? 
1 1 1    9   27   13 o  127.647   7.2840  164.882   18.596      ?      ? 
1 1 1    9   27   14 o   40.873   8.6683   17.411   6.0027 0.9968109 17.33662 
1 1 1    9   27   15 f  138.996   4.1243  200.056   10.227 8.557404 8.248621 
1 1 1    9   27   16 f  127.708   4.4746  164.070   9.4061 -0.1852493 8.949256 
1 1 1    9   27   17 o  155.432   4.0140  246.721   10.431 4.755646 8.027966 
1 1 1    9   27   18 o   73.532   8.2484   58.799   9.3752 6.105103 16.49682 
1 1 1    9   27   19 o   29.637   9.3542  -2.4782   9.5267 -8.200829 18.70839 
1 1 1    9   27   20 o   98.507   6.1580  100.159   10.079 2.851456 12.31603 
1 1 1    9   27   21 o   35.925   10.275   7.7749   10.188 -6.366287 20.54936 
1 1 1    9   27   22 f   46.489   10.883   19.750   10.525 -13.89561 21.76665 
1 1 1    9   27   23 o   48.531   10.500   18.320   10.959 -29.60689 20.99976 
1 1 1    9   27   24 o   81.507   8.0633   71.322   10.849 6.914024 16.12670 
1 1 1    9   27   25 o   40.318   9.7034   17.204   10.018 12.09205 19.40676 
1 1 1    9   28    0 o  271.906   2.9264  747.025   14.160 4.507904 5.852891 
1 1 1    9   28    1 o  227.460   2.8466  515.263   10.752 -2.639542 5.693227 
1 1 1    9   28    2 o  351.302   5.5774  1242.64   39.187      ?      ? 
1 1 1    9   28    3 o  265.299   5.0131  708.185   26.599      ?      ? 
1 1 1    9   28    4 o  119.979   7.2113  146.274   17.304      ?      ? 
1 1 1    9   28    5 o  235.133   5.0233  558.998   23.623      ?      ? 
1 1 1    9   28    6 f   53.267   15.298   31.983   17.160      ?      ? 
1 1 1    9   28    7 o  189.907   5.3749  362.434   20.415      ?      ? 
1 1 1    9   28    8 o  268.638   5.0039  723.404   26.885      ?      ? 
1 1 1    9   28    9 o  312.695   5.2279  980.537   32.695      ?      ? 
1 1 1    9   28   10 o  148.998   6.2626  223.802   18.662      ?      ? 
1 1 1    9   28   11 o   69.479   12.594   51.854   16.856      ?      ? 
1 1 1    9   28   12 o  152.221   6.1643  234.248   18.767      ?      ? 
1 1 1    9   28   13 f  188.620   5.6663  359.257   21.376      ?      ? 
1 1 1    9   28   14 o   60.206   15.467   39.665   18.721      ?      ? 
1 1 1    9   28   15 o  143.503   7.2154  208.144   20.708      ?      ? 
1 1 1    9   28   16 o   68.950   9.8078   53.119   13.046 13.31193 19.61564 
1 1 1    9   28   17 o   27.135   8.6562  -3.1364   8.6884 -3.213755 17.31243 
1 1 1    9   28   18 o   63.551   9.0399   43.094   9.0712 2.887123 18.07983 
1 1 1    9   28   19 o  124.757   4.7695  147.809   9.8432 -13.17789 9.538899 
1 1 1    9   28   20 o   80.819   6.8503   57.294   9.6077 -23.92522 13.70065 
1 1 1    9   28   21 o   69.129   8.6647   54.072   9.7293 11.53314 17.32948 
1 1 1    9   28   22 o   61.280   9.1407   39.920   9.5847 2.298141 18.28139 
1 1 1    9   28   23 o   93.740   6.2893   86.703   9.8403 -4.770714 12.57863 
1 1 1    9   28   24 o   81.541   11.342   82.254   18.496      ?      ? 
1 1 1    9   29    0 f  221.296   5.4165  491.025   23.973      ?      ? 
1 1 1    9   29    1 o  198.386   5.6251  394.700   22.319      ?      ? 
1 1 1    9   29    2 o  203.595   5.4780  415.661   22.306      ?      ? 
1 1 1    9   29    3 o  196.253   5.3797  386.256   21.115      ?      ? 
1 1 1    9   29    4 f  145.597   6.3885  213.009   18.603      ?      ? 
1 1 1    9   29    5 o  187.323   5.2447  352.499   19.649      ?      ? 
1 1 1    9   29    6 o  112.033   7.3193  127.184   16.400      ?      ? 
1 1 1    9   29    7 o   19.982   9.9300 -36.5086   15.362      ?      ? 
1 1 1    9   29    8 o  123.561   6.8036  154.643   16.813      ?      ? 
1 1 1    9   29    9 o  106.994   8.3026  116.826   17.767      ?      ? 
1 1 1    9   29   10 o  147.604   6.6883  220.837   19.744      ?      ? 
1 1 1    9   29   11 o  139.647   7.1364  197.496   19.932      ?      ? 
1 1 1    9   29   12 o  180.070   6.0113  326.568   21.649      ?      ? 
1 1 1    9   29   13 o  195.482   5.8582  385.584   22.903      ?      ? 
1 1 1    9   29   14 o  170.456   6.4949  294.823   22.142      ?      ? 
1 1 1    9   29   15 o  285.460   5.5005  821.633   31.404      ?      ? 
1 1 1    9   29   16 o  139.125   7.7800  197.232   21.648      ?      ? 
1 1 1    9   29   17 o   98.861   7.1298  101.506   13.980 8.179459 14.25967 
1 1 1    9   29   18 o  108.291   5.1457  121.774   7.9569 4.471725 10.29148 
1 1 1    9   29   19 o   72.270   7.9036   56.184   8.5116 5.362785 15.80717 
1 1 1    9   29   20 f   60.849   8.9031   38.833   8.8991 0.6868286 17.80624 
1 1 1    9   29   21 o  156.398   3.8930  249.323   10.404 4.139221 7.785974 
1 1 1    9   29   22 o   51.261   9.8255   31.154   9.6704 13.34095 19.65104 
1 1 1    9   30    0 o  237.077   5.1981  566.403   24.647      ?      ? 
1 1 1    9   30    1 o  137.063   6.9016  190.432   18.919      ?      ? 
1 1 1    9   30    2 o  169.081   5.7580  288.644   19.471      ?      ? 
1 1 1    9   30    3 o  195.648   5.2882  385.975   20.692      ?      ? 
1 1 1    9   30    4 o  105.189   7.8962  112.769   16.612      ?      ? 
1 1 1    9   30    5 o   50.127   14.853   27.388   15.935      ?      ? 
1 1 1    9   30    6 o   56.626   14.148   35.186   15.994      ?      ? 
1 1 1    9   30    7 o  128.679   6.8355  167.521   17.592      ?      ? 
1 1 1    9   30    8 o  165.217   6.1003  275.091   20.158      ?      ? 
1 1 1    9   30    9 o  154.893   6.8308  242.156   21.161      ?      ? 
1 1 1    9   30   10 o   28.759   13.487 -18.0899   19.665      ?      ? 
1 1 1    9   30   11 o   58.711   16.133   38.989   19.519      ?      ? 
1 1 1    9   30   12 o  202.241   5.8150  412.820   23.521      ?      ? 
1 1 1    9   30   13 o  115.989   8.9489  137.772   20.759      ?      ? 
1 1 1    9   30   14 o   53.830   16.980   31.748   20.395      ?      ? 
1 1 1    9   30   15 o  116.586   9.1021  139.466   21.224      ?      ? 
1 1 1    9   30   16 o   82.396   12.775   71.828   21.053      ?      ? 
1 1 1    9   30   17 o   70.398   14.929   54.741   20.380      ?      ? 
1 1 1    9   30   18 o   76.844   9.8757   64.021   14.717 -5.536865 19.75146 
1 1 1    9   30   19 o   77.998   10.400   69.415   15.245 -26.28601 20.80063 
1 1 1    9   30   20 o   82.873   11.616   71.395   19.253      ?      ? 
1 1 1    9   31    0 o  244.866   5.1167  602.681   25.058      ?      ? 
1 1 1    9   31    1 o  217.844   5.1506  477.037   22.441      ?      ? 
1 1 1    9   31    2 o  140.136   6.6225  198.087   18.561      ?      ? 
1 1 1    9   31    3 o  196.332   5.2695  387.662   20.692      ?      ? 
1 1 1    9   31    4 o  216.621   5.1059  472.031   22.121      ?      ? 
1 1 1    9   31    5 o   88.815   9.7807   80.970   17.373      ?      ? 
1 1 1    9   31    6 o   38.999   15.323   11.298   17.450      ?      ? 
1 1 1    9   31    7 o   37.117   15.097   7.8039   17.626      ?      ? 
1 1 1    9   31    8 o   62.687   15.135   43.442   18.788      ?      ? 
1 1 1    9   31    9 o   28.396   13.306 -17.2134   19.011      ?      ? 
1 1 1    9   31   10 o  100.067   9.7961  103.101   19.605      ?      ? 
1 1 1    9   31   11 o  224.159   5.5322  507.212   24.802      ?      ? 
1 1 1    9   31   12 o   71.715   14.568   56.440   20.167      ?      ? 
1 1 1    9   31   13 o   62.063   16.308   43.503   20.507      ?      ? 
1 1 1    9   31   14 o  118.693   8.9922  144.849   21.346      ?      ? 
1 1 1    9   31   15 o   73.815   14.665   59.764   20.881      ?      ? 
1 1 1    9   31   16 o  116.805   9.0054  139.992   21.038      ?      ? 
1 1 1    9   31   17 o  136.264   7.7331  188.521   21.075      ?      ? 
1 1 1    9   31   18 o   56.728   16.135   35.606   19.180      ?      ? 
1 1 1    9   31   19 o  102.360   9.2902  116.255   19.019      ?      ? 
1 1 1    9   32    0 o  163.535   5.9525  270.026   19.469      ?      ? 
1 1 1    9   32    1 f  171.960   5.7891  298.415   19.910      ?      ? 
1 1 1    9   32    2 o   90.432   9.5481   83.840   17.269      ?      ? 
1 1 1    9   32    3 o  101.254   8.5995  104.675   17.415      ?      ? 
1 1 1    9   32    4 f  107.512   8.1818  117.886   17.593      ?      ? 
1 1 1    9   32    5 o  166.599   5.8253  280.482   19.410      ?      ? 
1 1 1    9   32    6 o  123.206   7.4350  154.424   18.321      ?      ? 
1 1 1    9   32    7 f  147.718   6.7534  221.243   19.952      ?      ? 
1 1 1    9   32    8 o  217.468   5.5383  477.352   24.088      ?      ? 
1 1 1    9   32    9 o  110.284   9.0973  124.872   20.066      ?      ? 
1 1 1    9   32   10 o  113.265   8.8759  131.828   20.107      ?      ? 
1 1 1    9   32   11 o   36.755   15.537   3.9682   19.677      ?      ? 
1 1 1    9   32   12 o  159.550   6.6764  258.071   21.305      ?      ? 
1 1 1    9   32   13 o   87.889   11.606   80.641   20.400      ?      ? 
1 1 1    9   32   14 o   96.511   10.809   96.226   20.864      ?      ? 
1 1 1    9   32   15 f  165.018   6.6713  275.411   22.018      ?      ? 
1 1 1    9   32   16 o   73.517   13.371   58.559   18.934      ?      ? 
1 1 1    9   32   17 o   36.481   15.018   28.937   17.653      ?      ? 
1 1 1    9   33    0 o   64.705   13.503   45.766   16.903      ?      ? 
1 1 1    9   33    1 o  143.996   6.1845  209.913   17.811      ?      ? 
1 1 1    9   33    2 o  145.512   6.4288  214.602   18.709      ?      ? 
1 1 1    9   33    3 o  167.128   5.9548  282.629   19.904      ?      ? 
1 1 1    9   33    4 o  136.418   6.9314  189.181   18.911      ?      ? 
1 1 1    9   33    5 o  165.606   6.0315  277.790   19.977      ?      ? 
1 1 1    9   33    6 o  184.588   5.9248  344.961   21.873      ?      ? 
1 1 1    9   33    7 o  148.580   7.0008  224.358   20.804      ?      ? 
1 1 1    9   33    8 o   95.544   10.381   94.335   19.837      ?      ? 
1 1 1    9   33    9 o   98.259   10.234   99.758   20.111      ?      ? 
1 1 1    9   33   10 o  142.812   7.4755  207.637   21.352      ?      ? 
1 1 1    9   33   11 o  131.700   7.9845  176.486   21.031      ?      ? 
1 1 1    9   33   12 o  104.384   9.5144  111.473   19.863      ?      ? 
1 1 1    9   33   13 o  166.433   6.0529  279.893   20.148      ?      ? 
1 1 1    9   33   14 o   95.156   9.1556   94.467   17.424      ?      ? 
1 1 1    9   34    0 o  113.977   7.7878  132.430   17.753      ?      ? 
1 1 1    9   34    1 o  152.428   6.2487  235.253   19.049      ?      ? 
1 1 1    9   34    2 o  168.761   5.8724  287.982   19.821      ?      ? 
1 1 1    9   34    3 o  246.167   5.1045  611.145   25.131      ?      ? 
1 1 1    9   34    4 o  146.643   6.4036  217.913   18.781      ?      ? 
1 1 1    9   34    5 o  152.459   6.4794  235.458   19.757      ?      ? 
1 1 1    9   34    6 o  234.567   5.3651  554.683   25.169      ?      ? 
1 1 1    9   34    7 o  118.802   8.3539  143.691   19.849      ?      ? 
1 1 1    9   34    8 o  148.925   6.9083  224.488   20.576      ?      ? 
1 1 1    9   34    9 o  297.742   5.4453  893.664   32.426      ?      ? 
1 1 1    9   34   10 o   93.822   10.242   91.076   19.219      ?      ? 
1 1 1    9   34   11 o   91.162   9.9220   89.379   18.090      ?      ? 
1 1 1    9   35    0 o  132.891   7.2023  179.174   19.142      ?      ? 
1 1 1    9   35    1 o  137.167   7.0202  190.763   19.259      ?      ? 
1 1 1    9   35    2 o   70.342   13.368   53.497   18.128      ?      ? 
1 1 1    9   35    3 o   74.380   12.246   57.832   18.216      ?      ? 
1 1 1    9   35    4 o  121.238   8.0259  150.143   19.461      ?      ? 
1 1 1    9   35    5 o  128.367   7.7298  168.846   19.845      ?      ? 
1 1 1    9   35    6 o  106.352   8.8568  119.450   18.839      ?      ? 
1 1 1   10    0    4 o  257.184   4.8647  662.324   25.002 -0.000000 0.000000 
1 1 1   10    0    5 o   94.081   9.1741   91.094   16.961 -0.000000 0.000000 
1 1 1   10    0    6 o  269.573   5.0733  727.675   27.331 -0.000000 0.000000 
1 1 1   10    0    7 o  104.044   9.0989  110.815   18.658 -0.000000 0.000000 
1 1 1   10    0    8 o  141.110   7.0377  200.718   19.757 -0.000000 0.000000 
1 1 1   10    0    9 o  342.487   5.6351  1174.39   38.575 -0.000000 0.000000 
1 1 1   10    0   10 o  126.990   8.6172  163.628   21.681 -0.000000 0.000000 
1 1 1   10    0   11 o  523.483   5.3742  2739.98   56.175 -0.000000 0.000000 
1 1 1   10    0   13 o  839.136   8.2488  7052.10  138.295 -0.000000 0.000000 
1 1 1   10    0   14 o  304.418   4.2465  929.276   25.800 -0.000000 0.000000 
1 1 1   10    0   15 o  359.692   4.3737  1295.92   31.427 -0.000000 0.000000 
1 1 1   10    0   16 o  157.722   5.9056  249.009   18.430 -0.000000 0.000000 
1 1 1   10    0   17 o   66.558   12.019   56.856   17.774 -0.000000 0.000000 
1 1 1   10    0   18 o  107.969   9.0338  124.301   17.755 -0.000000 0.000000 
1 1 1   10    0   19 o  211.516   4.7936  449.712   20.213 -0.000000 0.000000 
1 1 1   10    0   20 o  408.855   4.6620  1674.73   38.091 -0.000000 0.000000 
1 1 1   10    0   23 o   31.189   13.671   8.3066   16.516 -0.000000 0.000000 
1 1 1   10    0   24 o   96.459   8.6641   96.239   16.571 -0.000000 0.000000 
1 1 1   10    0   25 f   26.512   12.294  -2.6587   16.139 -0.000000 0.000000 
1 1 1   10    0   26 o   81.276   11.734   74.648   16.634 -0.000000 0.000000 
1 1 1   10    0   29 o   25.700   12.132  -9.3849   15.932 -0.000000 0.000000 
1 1 1   10    0   30 o   78.901   12.326   74.170   16.636 -0.000000 0.000000 
1 1 1   10    0   32 o  329.896   4.3556  1094.54   28.691 -0.000000 0.000000 
1 1 1   10    0   33 o  122.130   7.6962  155.546   18.322 -0.000000 0.000000 
1 1 1   10    0   34 o  128.373   7.2790  168.072   18.234 -0.000000 0.000000 
1 1 1   10    0   35 o   43.480   14.927   28.833   17.750 -0.000000 0.000000 
1 1 1   10    0   36 o   47.743   15.886   36.032   18.065 -0.000000 0.000000 
1 1 1   10    0   37 o   34.545   14.601   15.076   17.525 -0.000000 0.000000 
1 1 1   10    0   38 o   26.339   12.459  -9.4628   15.391 -0.000000 0.000000 
1 1 1   10    1    4 o  441.704   4.5498  1952.48   40.189 5.984100 9.099688 
1 1 1   10    1    5 o  272.590   3.5501  743.565   19.351 4.852692 7.100153 
1 1 1   10    1    6 o  818.763   8.0050  6721.73  131.070 -7.213501 16.01010 
1 1 1   10    1    7 f  502.537   5.1198  2528.44   51.457 -0.3290405 10.23964 
1 1 1   10    1    8 o  498.608   5.0914  2488.86   50.767 4.362152 10.18275 
1 1 1   10    1    9 o  307.387   3.8555  945.596   23.701 1.452576 7.710923 
1 1 1   10    1   10 o  358.247   4.1810  1284.57   29.955 1.680237 8.362036 
1 1 1   10    1   11 o  402.393   6.3956  1620.82   51.471      ?      ? 
1 1 1   10    1   13 o  339.674   3.0133  1153.96   20.468 5.395752 6.026651 
1 1 1   10    1   14 o  186.521   4.9700  348.138   18.540      ?      ? 
1 1 1   10    1   15 o  120.268   5.0599  145.277   12.124 -12.17745 10.11972 
1 1 1   10    1   16 o  198.617   4.8979  394.790   19.456      ?      ? 
1 1 1   10    1   17 o  161.723   4.0679  261.884   13.157 0.2578735 8.135752 
1 1 1   10    1   18 o  257.983   3.0648  666.106   15.813 0.1931763 6.129516 
1 1 1   10    1   19 o   64.711   9.6537   44.087   12.401 -24.88010 19.30737 
1 1 1   10    1   20 o  164.263   3.9795  270.217   13.060 10.31468 7.958942 
1 1 1   10    1   21 o   86.478   7.2440   75.908   12.265 22.08553 14.48803 
1 1 1   10    1   22 o  176.141   5.3142  310.923   18.721      ?      ? 
1 1 1   10    1   23 o  136.633   4.4715  187.398   12.217 1.394287 8.942914 
1 1 1   10    1   24 o   53.871   10.378   30.656   11.492 2.378922 20.75660 
1 1 1   10    1   25 o   50.948   10.275   26.942   11.380 -15.32885 20.55058 
1 1 1   10    1   26 o  155.603   3.9254  243.428   12.204 -3.904373 7.850851 
1 1 1   10    1   29 o   32.910   9.8649   1.3552   11.267 -2.096109 19.72986 
1 1 1   10    1   30 o   52.131   10.365   30.485   11.655 14.92129 20.73056 
1 1 1   10    1   31 o  163.963   5.7593  269.848   18.886      ?      ? 
1 1 1   10    1   32 o  132.178   4.6531  176.852   12.298 -3.854721 9.306212 
1 1 1   10    1   33 o  107.063   5.8877  116.533   12.568 -7.870552 11.77537 
1 1 1   10    1   34 o   52.163   10.991   29.636   12.367 -5.036167 21.98206 
1 1 1   10    1   35 o   83.108   7.7188   72.121   12.646 -16.51775 15.43769 
1 1 1   10    1   36 f   42.395   10.603   13.814   12.603 -20.22126 21.20628 
1 1 1   10    1   37 o   86.319   7.1993   76.500   12.394 -0.5054932 14.39851 
1 1 1   10    1   38 f   43.998   10.212   23.260   10.890 11.53413 20.42428 
1 1 1   10    2    3 o  574.850   8.0805  3309.53   92.902      ?      ? 
1 1 1   10    2    4 o  356.334   3.9020  1269.98   27.795 -5.433197 7.803917 
1 1 1   10    2    5 o  353.509   3.9181  1249.95   27.689 -5.136139 7.836169 
1 1 1   10    2    6 f  235.487   3.5775  554.956   16.837 1.144104 7.155088 
1 1 1   10    2    7 o  296.188   3.6869  875.755   21.813 14.75290 7.373765 
1 1 1   10    2    8 o  142.478   4.8698  203.249   13.876 -1.604675 9.739669 
1 1 1   10    2    9 o  420.632   4.5039  1771.05   37.889 2.227356 9.007849 
1 1 1   10    2   10 o  123.854   6.3715  153.630   15.771 -1.437447 12.74299 
1 1 1   10    2   11 o  646.547   9.1785  4188.88  118.687      ?      ? 
1 1 1   10    2   12 o  512.963   5.3529  2633.24   54.917      ?      ? 
1 1 1   10    2   14 o  232.487   4.4119  540.807   20.514      ?      ? 
1 1 1   10    2   15 o  215.691   3.2198  465.556   13.889 -0.2861938 6.439636 
1 1 1   10    2   16 o  208.324   4.7283  434.306   19.700      ?      ? 
1 1 1   10    2   17 o  224.832   3.2633  505.925   14.672 -4.728027 6.526556 
1 1 1   10    2   18 o  168.057   3.9375  282.826   13.234 1.986496 7.875004 
1 1 1   10    2   19 o  449.486   3.4771  2021.89   31.247 8.304535 6.954195 
1 1 1   10    2   20 o  381.962   3.1863  1460.58   24.340 3.446930 6.372573 
1 1 1   10    2   21 o  262.672   3.0899  690.625   16.231 4.826569 6.179718 
1 1 1   10    2   22 o  184.234   3.5989  340.265   13.245 -11.18524 7.197856 
1 1 1   10    2   23 o   83.884   6.9786   71.066   11.704 -1.347572 13.95712 
1 1 1   10    2   24 o  104.856   5.5129  110.673   11.561 -0.2944183E-01 11.02588 
1 1 1   10    2   25 o   31.386   9.4610  -4.3841   11.237 12.19368 18.92205 
1 1 1   10    2   26 o   67.423   8.6809   47.211   11.406 12.23705 17.36176 
1 1 1   10    2   27 f  125.412   7.3677  158.537   18.480      ?      ? 
1 1 1   10    2   28 o   79.260   7.9884   63.911   12.663 0.9198074 15.97683 
1 1 1   10    2   29 f   80.678   7.1375   66.419   11.496 -6.455643 14.27497 
1 1 1   10    2   30 o   52.250   14.870   30.961   16.285      ?      ? 
1 1 1   10    2   31 o  110.805   8.3400  123.868   18.482      ?      ? 
1 1 1   10    2   32 o   34.346   10.076   3.1360   11.669 -7.896017 20.15297 
1 1 1   10    2   33 o  141.398   6.3762  201.533   18.032      ?      ? 
1 1 1   10    2   34 o   39.472   10.830   11.481   12.255 3.708168 21.65983 
1 1 1   10    2   35 o   66.184   9.8389   47.974   12.614 -5.140755 19.67783 
1 1 1   10    2   36 o   82.046   7.6912   69.851   12.608 4.854622 15.38240 
1 1 1   10    2   37 o   82.634   7.4148   70.149   12.247 -3.116158 14.82962 
1 1 1   10    2   38 o   54.019   8.9474   39.318   11.259 37.52291 17.89474 
1 1 1   10    3    3 o  626.990   8.7641  3937.98  109.900      ?      ? 
1 1 1   10    3    4 o  306.152   3.6348  937.929   22.252 6.410156 7.269527 
1 1 1   10    3    5 o  199.128   3.6516  396.192   14.508 -3.888885 7.303267 
1 1 1   10    3    6 o  462.582   4.7449  2141.00   43.885 8.625549 9.489737 
1 1 1   10    3    7 o  307.062   3.7261  942.825   22.875 9.235809 7.452137 
1 1 1   10    3    8 o  274.780   3.7127  754.912   20.391 -6.251404 7.425420 
1 1 1   10    3    9 o  342.026   4.0094  1169.29   27.397 -8.668793 8.018825 
1 1 1   10    3   10 o  203.997   4.3531  417.267   17.710 5.438446 8.706223 
1 1 1   10    3   11 o  415.077   6.5446  1724.73   54.331      ?      ? 
1 1 1   10    3   12 o  369.468   4.3933  1365.73   32.464      ?      ? 
1 1 1   10    3   14 o  376.167   3.1339  1414.60   23.560 -8.537659 6.267757 
1 1 1   10    3   15 o  335.427   3.0221  1125.79   20.274 0.3552246 6.044227 
1 1 1   10    3   17 o  371.897   3.1533  1384.19   23.454 0.2514343 6.306693 
1 1 1   10    3   18 o  160.304   4.0601  257.582   12.999 -10.05374 8.120230 
1 1 1   10    3   19 o  240.989   3.1328  581.392   15.099 -1.827255 6.265562 
1 1 1   10    3   20 o   70.234   8.9018   51.068   12.098 -15.56308 17.80363 
1 1 1   10    3   21 o  162.368   3.9538  264.000   12.835 -3.463165 7.907583 
1 1 1   10    3   22 o  167.534   3.8161  281.331   12.785 -1.260849 7.632177 
1 1 1   10    3   23 o  187.474   3.4312  352.301   12.861 6.005661 6.862402 
1 1 1   10    3   24 o   97.810   5.8999   96.437   11.537 1.227936 11.79972 
1 1 1   10    3   25 o  219.182   3.1071  481.714   13.621 0.1450500 6.214264 
1 1 1   10    3   26 o  105.185   5.5480  111.679   11.668 -0.4520569 11.09610 
1 1 1   10    3   28 o   64.532   9.6759   44.826   12.116 -7.160725 19.35175 
1 1 1   10    3   29 o  116.153   5.0679  136.407   11.762 -6.438545 10.13587 
1 1 1   10    3   30 o   79.644   8.2521   68.166   12.669 -17.49531 16.50416 
1 1 1   10    3   31 o  148.993   6.6321  223.577   19.763      ?      ? 
1 1 1   10    3   32 o   65.476   9.1655   46.055   11.758 -13.80865 18.33107 
1 1 1   10    3   33 o   94.911   6.5506   91.939   12.284 18.79291 13.10120 
1 1 1   10    3   34 o   29.519   9.4738  -8.9793   12.215 2.844490 18.94764 
1 1 1   10    3   35 o   53.934   10.969   31.992   12.451 3.872353 21.93814 
1 1 1   10    3   36 o   48.987   10.681   24.284   12.567 21.84359 21.36148 
1 1 1   10    3   37 o   75.892   8.1476   59.582   12.357 -2.073105 16.29515 
1 1 1   10    4    3 f  331.213   5.3436  1097.71   35.397      ?      ? 
1 1 1   10    4    4 o  357.098   3.9047  1275.98   27.879 -0.7877197 7.809327 
1 1 1   10    4    5 o  488.293   4.9353  2385.99   48.186 8.112427 9.870698 
1 1 1   10    4    6 o  297.928   3.5984  888.116   21.436 -0.4641724 7.196734 
1 1 1   10    4    7 o  438.219   4.5598  1919.22   39.923 14.85205 9.119607 
1 1 1   10    4    8 o  672.031   6.6325  4524.79   89.124 -8.286865 13.26498 
1 1 1   10    4    9 o  581.045   5.8255  3381.24   67.691 6.538635 11.65097 
1 1 1   10    4   10 o  541.124   5.5083  2932.35   59.608 -1.695374 11.01653 
1 1 1   10    4   11 o  238.919   3.6920  597.020   16.333 31.54575 7.383942 
1 1 1   10    4   12 o  331.658   3.0121  1100.55   19.978 2.112671 6.024227 
1 1 1   10    4   14 o  249.986   3.0307  624.744   15.145 -8.198654 6.061353 
1 1 1   10    4   15 o  274.499   2.9998  753.701   16.466 -5.305023 5.999642 
1 1 1   10    4   16 o  481.001   3.6318  2315.65   34.936 -3.733673 7.263514 
1 1 1   10    4   17 o  137.760   4.6061  190.417   12.669 -5.128876 9.212285 
1 1 1   10    4   18 o   93.863   6.4778   88.719   12.122 -6.854523 12.95560 
1 1 1   10    4   19 o  112.559   5.3894  127.245   12.118 -3.492096 10.77884 
1 1 1   10    4   20 o   98.371   6.0574   97.309   11.898 6.395126 12.11472 
1 1 1   10    4   21 o  175.806   3.6490  309.548   12.829 -1.391846 7.298100 
1 1 1   10    4   22 o  165.291   3.8009  273.717   12.560 -6.010590 7.601764 
1 1 1   10    4   23 o  127.799   4.5996  164.159   11.721 -12.50561 9.199156 
1 1 1   10    4   24 o   82.841   6.8705   69.425   11.358 -6.904610 13.74097 
1 1 1   10    4   25 o   76.333   7.3264   59.174   11.184 -1.534538 14.65278 
1 1 1   10    4   26 o   49.559   10.199   25.311   11.277 17.30364 20.39885 
1 1 1   10    4   28 o   34.076   10.045   3.2626   11.518 5.178301 20.09010 
1 1 1   10    4   29 o   47.051   9.7713   21.439   11.281 26.32944 19.54254 
1 1 1   10    4   31 o   62.428   9.8176   40.399   12.956 -38.16061 19.63516 
1 1 1   10    4   32 o   34.190   10.104   2.5059   11.785 -7.859112 20.20793 
1 1 1   10    4   33 o  150.239   4.2885  228.052   12.849 13.19812 8.577042 
1 1 1   10    4   34 o   35.745   10.461   4.4280   12.383 6.027351 20.92204 
1 1 1   10    4   35 o   85.993   7.3301   76.534   12.597 -2.291664 14.66023 
1 1 1   10    4   36 o   60.664   10.527   40.902   12.769 -10.20682 21.05305 
1 1 1   10    4   37 o  108.504   5.7907  119.791   12.561 2.942612 11.58144 
1 1 1   10    5    3 o  228.644   4.8469  523.055   22.164      ?      ? 
1 1 1   10    5    4 o  152.418   3.9185  232.101   11.931 -4.728287 7.836954 
1 1 1   10    5    5 o  159.544   3.9104  254.702   12.468 -0.3334503 7.820837 
1 1 1   10    5    6 o  125.490   4.7329  157.598   11.825 -0.3950958 9.465776 
1 1 1   10    5    7 o  225.171   3.5663  507.483   16.056 5.651794 7.132599 
1 1 1   10    5    8 o  473.987   4.8671  2248.91   46.131 -3.876801 9.734138 
1 1 1   10    5    9 o  330.273   3.9209  1091.12   25.893 6.857391 7.841796 
1 1 1   10    5   10 o  365.330   4.3150  1051.78   27.418 -166.1542 8.630095 
1 1 1   10    5   11 o   77.821   14.981   62.929   22.485      ?      ? 
1 1 1   10    5   12 o  204.742   4.0274  419.319   15.469 -0.2249451 8.054791 
1 1 1   10    5   13 o  222.392   4.5094  494.870   20.057      ?      ? 
1 1 1   10    5   14 o  280.902   2.9523  789.553   16.585 -4.634338 5.904640 
1 1 1   10    5   15 o  372.111   3.1091  1385.49   23.138 -4.343018 6.218230 
1 1 1   10    5   16 f  145.759   4.3346  212.784   12.635 -1.309189 8.669263 
1 1 1   10    5   17 o  168.591   3.8497  284.404   12.976 6.058624 7.699317 
1 1 1   10    5   18 o  139.255   4.5028  194.161   12.536 4.018875 9.005506 
1 1 1   10    5   19 o   68.130   8.9562   47.987   11.845 17.18297 17.91245 
1 1 1   10    5   20 o  189.709   3.4087  360.411   12.933 0.7164154 6.817454 
1 1 1   10    5   21 o  212.978   3.2150  454.224   13.694 -0.6733246 6.429906 
1 1 1   10    5   22 f  269.448   2.9418  727.097   15.851 -4.501312 5.883591 
1 1 1   10    5   23 o  135.771   4.3467  185.200   11.790 -6.609100 8.693456 
1 1 1   10    5   24 o  145.295   4.1097  211.987   11.940 -1.893066 8.219342 
1 1 1   10    5   25 f   66.434   8.8292   47.580   11.241 27.70570 17.65848 
1 1 1   10    5   26 o  120.327   4.9427  146.555   11.837 13.53926 9.885375 
1 1 1   10    5   27 o  205.384   4.7881  422.404   19.668      ?      ? 
1 1 1   10    5   28 o  174.775   3.5403  306.943   12.360 -12.20201 7.080673 
1 1 1   10    5   29 o   50.131   10.353   26.836   11.116 6.858612 20.70569 
1 1 1   10    5   31 o   77.515   8.2569   62.461   12.751 0.7940369 16.51371 
1 1 1   10    5   32 o   78.386   7.7608   63.580   12.117 -9.357956 15.52152 
1 1 1   10    5   33 o   34.454   10.315   2.3283   12.318 -3.556683 20.62932 
1 1 1   10    5   34 f   74.017   8.7589   58.649   12.490 -15.17422 17.51787 
1 1 1   10    5   35 o   44.285   11.157   18.919   12.571 6.578106 22.31345 
1 1 1   10    5   36 o   35.329   10.503   3.5021   12.659 -3.521175 21.00594 
1 1 1   10    5   37 o   85.327   7.1791   75.159   12.162 11.57382 14.35821 
1 1 1   10    6    2 o  272.610   5.0274  743.586   27.410      ?      ? 
1 1 1   10    6    3 o  342.083   5.3853  1170.99   36.844      ?      ? 
1 1 1   10    6    4 o  537.321   5.3541  2886.04   57.455 -16.43872 10.70813 
1 1 1   10    6    5 o  231.690   3.4140  538.175   15.788 13.12187 6.827972 
1 1 1   10    6    6 o  313.675   3.6647  984.174   22.967 -2.665222 7.329466 
1 1 1   10    6    7 o  288.812   3.6247  834.529   20.929 -1.685486 7.249413 
1 1 1   10    6    8 o  267.659   3.6936  717.115   19.764 9.010315 7.387107 
1 1 1   10    6    9 o  251.620   4.3372  438.358   18.009 -193.2219 8.674424 
1 1 1   10    6   10 o  284.383   4.2079  624.398   21.016 -162.6610 8.415768 
1 1 1   10    6   11 o  236.861   6.0588  561.538   28.702      ?      ? 
1 1 1   10    6   12 o  489.607   7.2985  2400.33   71.468      ?      ? 
1 1 1   10    6   13 o  576.376   4.1436  3325.50   47.762 -5.432068 8.287298 
1 1 1   10    6   14 o   86.997   6.8059   76.030   11.823 -3.754242 13.61175 
1 1 1   10    6   15 o  325.232   2.9816  1058.52   19.391 -2.586792 5.963161 
1 1 1   10    6   16 o  194.005   3.4360  376.483   13.326 4.386124 6.872056 
1 1 1   10    6   17 o  205.628   3.3464  423.649   13.747 -9.994659 6.692755 
1 1 1   10    6   18 o  219.762   3.2414  482.170   14.227 12.39664 6.482801 
1 1 1   10    6   19 o  113.154   5.2615  128.323   11.899 3.114906 10.52296 
1 1 1   10    6   20 o  126.047   4.7235  159.382   11.902 -3.004189 9.446929 
1 1 1   10    6   21 o   57.312   9.9406   34.778   11.556 -17.16290 19.88124 
1 1 1   10    6   22 o  131.975   4.4089  174.945   11.631 3.673462 8.817735 
1 1 1   10    6   23 o   58.089   9.7851   35.779   11.220 3.911171 19.57014 
1 1 1   10    6   24 o   73.035   7.7498   54.217   11.291 6.382896 15.49959 
1 1 1   10    6   25 o   61.310   9.1945   39.870   11.194 -21.63813 18.38899 
1 1 1   10    6   26 o   32.643   9.8557  -0.7792   11.667 -7.083628 19.71135 
1 1 1   10    6   28 o   25.119   8.3498 -18.8734   11.038 -7.263071 16.69964 
1 1 1   10    6   29 o   71.748   8.1071   53.897   11.326 6.604141 16.21414 
1 1 1   10    6   31 o  119.438   5.2063  144.897   12.431 2.202728 10.41270 
1 1 1   10    6   32 o   31.428   9.7524  -2.9809   11.827 1.859261 19.50482 
1 1 1   10    6   33 o   85.582   7.2173   76.033   12.352 -1.384804 14.43459 
1 1 1   10    6   34 o  107.344   5.9395  117.812   12.747 -2.727631 11.87892 
1 1 1   10    6   35 o   39.412   10.725   10.946   12.587 -11.04496 21.45046 
1 1 1   10    6   36 o   49.140   10.139   22.988   12.570 31.21175 20.27875 
1 1 1   10    6   37 o   42.586   10.474   15.446   11.885 -17.50759 20.94735 
1 1 1   10    7    2 o  293.520   5.0656  862.068   29.737      ?      ? 
1 1 1   10    7    3 o  228.875   5.0040  524.154   22.906      ?      ? 
1 1 1   10    7    4 o  364.223   3.9369  1326.44   28.642 -5.913483 7.873862 
1 1 1   10    7    5 o  199.533   3.5751  397.017   14.161 -5.404205 7.150207 
1 1 1   10    7    6 o  270.650   3.5468  734.007   19.156 6.548126 7.093575 
1 1 1   10    7    7 f   61.975   9.9335   42.491   12.897 32.84327 19.86700 
1 1 1   10    7    8 o  229.484   3.8157  508.428   17.187 -44.42020 7.631469 
1 1 1   10    7    9 o  390.826   4.4123  1242.50   30.106 -153.8076 8.824594 
1 1 1   10    7   10 o  130.965   6.7225  182.673   16.510 43.67127 13.44497 
1 1 1   10    7   11 o  635.452   9.0364  4045.89  114.844      ?      ? 
1 1 1   10    7   12 o  489.344   4.4796  2392.30   41.017 -2.776459 8.959214 
1 1 1   10    7   13 o  275.209   3.7324  764.465   18.851 5.965637 7.464812 
1 1 1   10    7   14 o  359.677   4.2924  1294.44   30.877      ?      ? 
1 1 1   10    7   15 o  241.162   3.0174  581.992   14.553 -1.420242 6.034738 
1 1 1   10    7   16 o  187.944   3.4545  353.981   12.966 -11.34538 6.908959 
1 1 1   10    7   17 f  133.691   4.6248  179.333   12.350 -5.267883 9.249683 
1 1 1   10    7   18 o  427.414   3.3498  1828.77   28.630 3.888641 6.699674 
1 1 1   10    7   19 o   92.035   6.4496   85.000   11.854 2.505737 12.89924 
1 1 1   10    7   20 o  230.021   3.0806  530.103   14.160 -4.934952 6.161240 
1 1 1   10    7   21 o  121.317   4.8146  148.068   11.655 -4.422226 9.629238 
1 1 1   10    7   22 o  252.046   2.9243  636.435   14.737 -2.564835 5.848542 
1 1 1   10    7   23 o  177.844   3.4568  316.994   12.283 1.607803 6.913598 
1 1 1   10    7   24 o  104.667   5.3118  110.112   11.101 4.959740 10.62354 
1 1 1   10    7   25 o  113.555   4.9881  129.931   11.324 -0.7762222 9.976171 
1 1 1   10    7   26 o   96.279   6.3247   94.124   12.106 -11.86203 12.64941 
1 1 1   10    7   27 o   84.427   7.1730   73.713   11.792 -21.16638 14.34593 
1 1 1   10    7   28 o   63.994   8.7429   43.388   10.898 16.27383 17.48583 
1 1 1   10    7   29 o   30.196   9.4850  -4.3308   11.613 2.942266 18.96999 
1 1 1   10    7   30 f  156.411   4.1635  244.969   13.010 -8.322922 8.326953 
1 1 1   10    7   31 o   30.523   9.5623  -4.0597   11.608 0.3616676 19.12452 
1 1 1   10    7   32 o   95.052   9.1014   91.891   17.302      ?      ? 
1 1 1   10    7   33 o   33.866   9.9079  -2.1049   12.253 -16.12612 19.81577 
1 1 1   10    7   34 o   31.770   9.7367  -5.5075   12.295 -11.67573 19.47345 
1 1 1   10    7   35 o   90.768   6.9935   85.652   12.618 -6.488152 13.98705 
1 1 1   10    7   36 o   76.240   8.1703   60.490   12.444 -1.948944 16.34056 
1 1 1   10    7   37 o   45.427   10.492   20.505   11.684 17.13570 20.98390 
1 1 1   10    8    2 o  351.688   5.6391  1237.82   39.664      ?      ? 
1 1 1   10    8    3 f  272.008   5.2282  740.386   28.442      ?      ? 
1 1 1   10    8    4 o  512.982   5.1676  2626.08   52.858 -21.08536 10.33518 
1 1 1   10    8    5 o  374.485   4.0905  1403.29   30.591 -1.172119 8.180941 
1 1 1   10    8    6 o  368.302   4.0759  1354.77   29.920 -8.679718 8.151784 
1 1 1   10    8    7 o  199.419   4.0461  402.689   15.914 17.87650 8.092120 
1 1 1   10    8    8 o  354.853   4.1009  1260.20   29.090 15.30511 8.201784 
1 1 1   10    8    9 o   36.905   10.108 -13.7556   14.816 28.09875 20.21665 
1 1 1   10    8   10 o  259.467   4.1933  653.771   21.181 84.58389 8.386657 
1 1 1   10    8   11 o  168.302   7.7905  283.741   26.223      ?      ? 
1 1 1   10    8   12 o  274.211   3.7030  774.493   18.621 20.94516 7.405899 
1 1 1   10    8   13 o  153.084   4.9698  196.956   13.721 -58.97018 9.939525 
1 1 1   10    8   14 o  154.873   3.8548  240.117   11.938 3.588272 7.709563 
1 1 1   10    8   15 o  217.484   3.1238  473.217   13.585 -6.039352 6.247534 
1 1 1   10    8   16 o  341.952   3.0140  1170.10   20.611 -4.398346 6.027982 
1 1 1   10    8   17 o   55.678   10.162   32.639   11.853 -19.53343 20.32395 
1 1 1   10    8   18 o  215.402   3.2155  464.615   13.847 -1.193619 6.431098 
1 1 1   10    8   19 o  105.029   5.6207  111.304   11.746 -8.282829 11.24140 
1 1 1   10    8   20 o  167.563   3.6963  281.332   12.365 -0.2235107 7.392619 
1 1 1   10    8   21 o  233.344   3.0155  545.164   14.054 2.533386 6.030900 
1 1 1   10    8   22 o  121.296   4.6725  147.861   11.306 -1.355209 9.344934 
1 1 1   10    8   23 o   74.126   7.3483   55.654   10.852 -0.1126785 14.69662 
1 1 1   10    8   24 o  107.217   5.0883  115.392   10.844 3.429359 10.17656 
1 1 1   10    8   25 f   81.700   6.9067   67.205   11.171 16.43909 13.81350 
1 1 1   10    8   26 o  183.432   4.9193  337.014   18.047      ?      ? 
1 1 1   10    8   28 o   43.780   10.491   18.979   10.943 -1.122948 20.98217 
1 1 1   10    8   29 o  106.391   5.7272  115.968   12.079 -17.67116 11.45432 
1 1 1   10    8   30 f   28.619   13.152 -11.9431   17.328      ?      ? 
1 1 1   10    8   31 f   70.286   8.4455   52.398   11.582 -6.432518 16.89091 
1 1 1   10    8   32 o   72.162   11.529   53.494   16.640      ?      ? 
1 1 1   10    8   33 o   91.912   6.7292   86.819   12.278 13.72740 13.45835 
1 1 1   10    8   34 o   25.752   8.6454 -20.4377   12.191 -3.559044 17.29082 
1 1 1   10    8   35 o   44.856   11.063   20.161   12.205 -0.2397079 22.12634 
1 1 1   10    8   36 o   68.026   9.2975   50.176   12.258 -14.70112 18.59508 
1 1 1   10    8   37 o   51.285   12.145   31.240   16.108 -23.83622 24.29024 
1 1 1   10    9    2 o  532.890   7.6543  2843.80   81.578      ?      ? 
1 1 1   10    9    3 o  288.126   5.4393  830.765   31.344      ?      ? 
1 1 1   10    9    4 o  301.107   3.7342  908.971   22.388 6.486237 7.468329 
1 1 1   10    9    5 o  169.787   4.4290  303.397   14.233 35.74713 8.858064 
1 1 1   10    9    6 o  256.116   3.7097  608.416   18.092 -60.46445 7.419365 
1 1 1   10    9    7 o  485.070   5.0224  2353.08   48.638 -9.415009 10.04490 
1 1 1   10    9    8 o  533.851   5.4395  2852.17   58.029 -8.476013 10.87899 
1 1 1   10    9    9 o  278.657   3.9678  778.243   21.997 36.44434 7.935698 
1 1 1   10    9   10 o  216.406   4.1838  469.157   17.938 1.337555 8.367523 
1 1 1   10    9   11 o  165.555   4.6128  274.888   13.465 0.6293335 9.225655 
1 1 1   10    9   12 o  189.598   4.2319  321.232   14.315 -44.07268 8.463864 
1 1 1   10    9   13 o  329.219   6.2545  1085.29   41.182      ?      ? 
1 1 1   10    9   14 o  214.588   3.1283  460.719   13.424 -3.022247 6.256685 
1 1 1   10    9   15 o  161.223   3.7856  260.582   12.191 -7.458267 7.571112 
1 1 1   10    9   16 o  316.826   2.9596  1004.57   18.753 -4.306610 5.919168 
1 1 1   10    9   17 o  426.462   3.3325  1820.91   28.423 1.778687 6.665051 
1 1 1   10    9   18 o  115.816   5.1208  134.744   11.845 -5.847977 10.24153 
1 1 1   10    9   19 o  129.627   6.2909  168.445   16.309      ?      ? 
1 1 1   10    9   20 f   68.831   8.4361   49.317   11.220 -12.25288 16.87230 
1 1 1   10    9   21 o  319.485   2.9007  1022.39   18.535 -0.8091431 5.801469 
1 1 1   10    9   22 o   62.069   9.0832   40.661   10.905 -3.777149 18.16634 
1 1 1   10    9   23 o   36.650   9.9506   8.6134   10.559 -7.904835 19.90128 
1 1 1   10    9   24 o  197.774   3.1221  392.579   12.338 -4.784637 6.244112 
1 1 1   10    9   25 o  172.245   3.6628  298.673   12.598 -3.996002 7.325641 
1 1 1   10    9   27 o   83.974   6.6150   71.254   11.071 7.317688 13.22996 
1 1 1   10    9   28 o   47.874   10.212   24.176   11.002 -12.87157 20.42472 
1 1 1   10    9   29 o  159.636   5.7652  255.729   18.407      ?      ? 
1 1 1   10    9   31 o   69.422   8.4877   50.628   11.480 1.105423 16.97533 
1 1 1   10    9   32 o   66.920   9.1816   50.368   11.794 -25.92213 18.36314 
1 1 1   10    9   33 o   29.109   9.3630  -9.0085   11.878 4.377645 18.72608 
1 1 1   10    9   34 o   50.811   10.756   27.298   11.961 14.01446 21.51110 
1 1 1   10    9   35 o   36.018   10.474   6.1234   12.073 1.541210 20.94895 
1 1 1   10    9   36 o   90.340   6.7419   83.659   12.141 -2.143585 13.48385 
1 1 1   10   10    1 o  468.268   6.9123  2195.31   64.737      ?      ? 
1 1 1   10   10    2 o  632.839   8.9253  4012.71  112.966      ?      ? 
1 1 1   10   10    3 o  423.165   6.4482  1792.54   54.573      ?      ? 
1 1 1   10   10    4 o  369.352   4.1328  1327.17   30.085 64.78162 8.265656 
1 1 1   10   10    5 o  267.370   3.8109  722.018   20.189 27.59102 7.621754 
1 1 1   10   10    6 o  192.791   4.3695  382.368   16.313 26.98708 8.738910 
1 1 1   10   10    7 o  222.956   4.2771  510.431   18.440 63.81555 8.554188 
1 1 1   10   10    8 o  176.548   5.4005  337.786   16.731 104.1803 10.80100 
1 1 1   10   10    9 o  200.158   4.3174  400.737   17.002 -0.8967743 8.634829 
1 1 1   10   10   10 o  330.419   4.0950  1090.52   26.949 -7.966461 8.189948 
1 1 1   10   10   11 f  606.546   5.3346  3616.97   59.398 -27.62579 10.66928 
1 1 1   10   10   12 o  164.843   4.9395  280.592   14.467 11.55869 9.878994 
1 1 1   10   10   13 o  146.947   5.4439  219.916   14.146 5.294724 10.88788 
1 1 1   10   10   14 o  171.651   4.8187  302.652   14.761 9.955551 9.637314 
1 1 1   10   10   15 o  363.944   3.0480  1325.61   22.185 -2.659424 6.096056 
1 1 1   10   10   16 o  270.574   2.9464  732.736   15.944 3.111115 5.892880 
1 1 1   10   10   17 o  135.819   4.3890  184.948   11.917 4.628708 8.778069 
1 1 1   10   10   18 o  285.070   2.9015  813.455   16.542 2.242767 5.802933 
1 1 1   10   10   19 o  207.751   4.4870  432.240   18.644      ?      ? 
1 1 1   10   10   20 f   35.021   10.009   5.5153   10.868 2.782837 20.01885 
1 1 1   10   10   21 o   79.443   6.7608   63.674   10.742 -0.2779160 13.52154 
1 1 1   10   10   22 o  203.131   3.0706  413.352   12.471 -7.066132 6.141162 
1 1 1   10   10   23 o  186.245   3.1784  347.683   11.835 5.093689 6.356716 
1 1 1   10   10   24 o   32.827   9.6627   2.8486   10.556 -1.938248 19.32534 
1 1 1   10   10   25 o  268.764   3.0101  711.133   16.031 47.70947 6.020246 
1 1 1   10   10   27 o  132.813   4.1792  177.665   11.100 -2.894058 8.358457 
1 1 1   10   10   28 o   62.143   12.975   42.786   15.600      ?      ? 
1 1 1   10   10   30 o   58.135   9.8798   36.937   11.356 4.452602 19.75951 
1 1 1   10   10   31 o   89.249   9.5431   81.172   17.034      ?      ? 
1 1 1   10   10   32 o   48.115   10.667   25.187   11.778 -10.83368 21.33356 
1 1 1   10   10   33 o   64.437   9.6345   44.480   11.944 10.19447 19.26895 
1 1 1   10   10   34 o   26.968   8.9293 -14.7443   11.991 1.270754 17.85852 
1 1 1   10   10   35 o   32.685   10.036  -2.2518   12.259 8.086601 20.07105 
1 1 1   10   10   36 o   54.904   9.4456   29.985   11.714 35.73762 18.89115 
1 1 1   10   11    1 o  408.257   6.3779  1668.47   52.076      ?      ? 
1 1 1   10   11    2 o  280.776   5.7782  789.023   32.448      ?      ? 
1 1 1   10   11    3 o  452.340   6.8665  2048.54   62.120      ?      ? 
1 1 1   10   11    4 o  479.608   4.9631  2285.90   47.266 -28.21237 9.926168 
1 1 1   10   11    5 o  657.272   6.5201  4303.45   85.370 41.66461 13.04022 
1 1 1   10   11    6 o  338.891   4.0567  1143.32   27.403 38.43924 8.113399 
1 1 1   10   11    7 o  351.627   4.1233  1238.92   28.959 9.457947 8.246539 
1 1 1   10   11    8 o  300.206   3.9397  900.418   23.530 -5.445953 7.879321 
1 1 1   10   11    9 o  190.708   4.5386  367.283   17.048 10.36584 9.077127 
1 1 1   10   11   10 o  196.864   4.5472  382.089   17.744 -22.59154 9.094453 
1 1 1   10   11   11 f  540.972   4.8340  2908.45   48.635 -10.99194 9.668061 
1 1 1   10   11   12 o  508.543   4.6153  2593.21   44.025 1.851471 9.230628 
1 1 1   10   11   13 o  222.775   3.9859  500.432   16.011 3.751373 7.971790 
1 1 1   10   11   14 o  144.572   5.5417  209.791   14.022 0.4523163 11.08346 
1 1 1   10   11   15 o  219.368   3.1069  481.169   13.619 -5.773132 6.213808 
1 1 1   10   11   16 o  288.448   2.9056  832.861   16.762 0.6780701 5.811265 
1 1 1   10   11   17 o  297.935   2.8979  888.545   17.267 -1.599701 5.795777 
1 1 1   10   11   18 o  201.021   4.4830  404.630   18.023      ?      ? 
1 1 1   10   11   19 o  120.544   4.6786  145.921   11.278 -1.342514 9.357196 
1 1 1   10   11   20 f  261.960   2.8238  687.218   14.794 4.096069 5.647623 
1 1 1   10   11   21 o   44.727   10.043   19.712   10.386 -11.02571 20.08537 
1 1 1   10   11   22 o  167.664   3.3810  281.777   11.332 3.809113 6.761994 
1 1 1   10   11   23 o  108.994   4.8453  119.315   10.546 4.749947 9.690511 
1 1 1   10   11   24 o   93.115   8.2427   87.944   15.350      ?      ? 
1 1 1   10   11   26 o  127.989   4.2024  165.093   10.754 2.209969 8.404873 
1 1 1   10   11   27 o  119.034   4.5837  142.893   10.912 1.801102 9.167480 
1 1 1   10   11   28 f   21.649   7.5606 -37.3705   11.859 -3.335838 15.12111 
1 1 1   10   11   30 o  143.953   4.0464  208.865   11.637 6.275558 8.092834 
1 1 1   10   11   31 o   80.096   7.0759   65.512   11.329 2.856789 14.15171 
1 1 1   10   11   32 o   80.728   7.3547   67.558   11.783 -6.929749 14.70941 
1 1 1   10   11   33 o   52.722   10.066   31.008   11.857 -24.18924 20.13195 
1 1 1   10   11   34 o   81.780   7.4079   70.344   11.899 -12.95732 14.81573 
1 1 1   10   11   35 o   88.903   6.9440   81.037   12.321 7.620369 13.88802 
1 1 1   10   11   36 o   53.713   12.587   34.471   15.653 -2.614326 25.17450 
1 1 1   10   12    0 o  422.216   4.5238  1766.54   37.903 -32.27679 9.047636 
1 1 1   10   12    1 o  448.635   6.7160  2014.90   60.260      ?      ? 
1 1 1   10   12    2 o  521.560   7.5704  2723.99   78.969      ?      ? 
1 1 1   10   12    3 o  510.113   7.4584  2605.69   76.093      ?      ? 
1 1 1   10   12    4 o  301.090   3.9593  897.910   23.626 57.26486 7.918649 
1 1 1   10   12    5 o  168.236   4.7526  290.506   15.280 15.81273 9.505251 
1 1 1   10   12    6 o  228.475   4.0791  523.600   18.285 2.374283 8.158268 
1 1 1   10   12    7 o  309.424   3.9803  957.136   24.482 -3.811646 7.960682 
1 1 1   10   12    8 o  397.663   4.4112  1564.51   34.726 -31.47934 8.822421 
1 1 1   10   12    9 o  209.867   4.4151  440.702   18.313 -0.8459015 8.830192 
1 1 1   10   12   10 o  291.044   4.1182  842.979   23.786 -13.34659 8.236404 
1 1 1   10   12   11 o  183.201   4.5065  348.272   14.640 14.90115 9.013052 
1 1 1   10   12   12 o  487.403   4.4662  2367.99   40.470 -6.184875 8.932365 
1 1 1   10   12   13 o  172.693   4.6427  296.786   14.097 -2.316803 9.285460 
1 1 1   10   12   14 o  164.576   4.9258  277.784   14.035 7.885910 9.851618 
1 1 1   10   12   15 o  435.368   4.1832  1887.04   33.601 -6.925568 8.366445 
1 1 1   10   12   16 f  177.273   3.3942  314.759   12.026 8.005005 6.788346 
1 1 1   10   12   17 o   77.204   7.2244   60.434   10.970 17.38339 14.44881 
1 1 1   10   12   18 o  152.077   3.7902  232.074   11.516 -6.776505 7.580333 
1 1 1   10   12   19 o  326.187   2.8847  1065.39   18.816 5.911682 5.769317 
1 1 1   10   12   20 o   82.525   6.3058   69.209   10.309 -12.04399 12.61163 
1 1 1   10   12   21 o  148.140   3.6332  219.420   10.738 14.31880 7.266307 
1 1 1   10   12   22 o  144.492   3.7254  209.391   10.748 2.748886 7.450723 
1 1 1   10   12   23 o   39.900   10.189   14.046   10.426 0.2792549 20.37796 
1 1 1   10   12   25 o  128.542   4.4403  166.768   11.413 -2.984009 8.880610 
1 1 1   10   12   26 o  133.794   4.0753  180.178   10.902 1.608566 8.150578 
1 1 1   10   12   27 o   71.624   7.8190   54.305   10.875 12.63914 15.63791 
1 1 1   10   12   29 o  135.184   4.3615  184.679   11.791 0.9434204 8.723027 
1 1 1   10   12   30 o   55.627   9.8271   34.039   11.123 -15.19733 19.65425 
1 1 1   10   12   31 o   31.068   9.6176  -3.1635   11.597 6.915258 19.23530 
1 1 1   10   12   32 o   33.856   10.107   2.8722   11.733 0.3532524 20.21375 
1 1 1   10   12   33 o   36.792   10.488   7.6171   11.897 6.207714 20.97635 
1 1 1   10   12   34 o   42.335   10.879   16.816   11.929 -1.025616 21.75881 
1 1 1   10   12   35 o   96.074   6.2979   94.369   12.061 -9.580116 12.59590 
1 1 1   10   13    0 f  392.010   4.3193  1538.05   33.843 -3.391418 8.638591 
1 1 1   10   13    1 o  501.211   5.1455  2516.04   51.576 7.528381 10.29105 
1 1 1   10   13    2 o  420.105   6.4395  1767.30   54.105      ?      ? 
1 1 1   10   13    3 o  228.768   5.8430  523.959   26.734      ?      ? 
1 1 1   10   13    4 o  217.806   3.9124  477.546   16.797 7.678101 7.824831 
1 1 1   10   13    5 o  434.848   4.6037  1889.76   39.938 -11.84674 9.207365 
1 1 1   10   13    6 o  388.004   4.3368  1507.76   33.607 2.497467 8.673638 
1 1 1   10   13    7 o  494.810   5.1191  2447.47   50.606 22.86844 10.23815 
1 1 1   10   13    8 o  605.919   6.0887  3680.29   73.780 9.128723 12.17734 
1 1 1   10   13    9 o  312.972   4.0776  974.032   25.278 -14.69226 8.155196 
1 1 1   10   13   10 o  345.299   4.1931  1195.32   28.896 6.160400 8.386227 
1 1 1   10   13   11 o  159.597   4.7995  254.203   13.591 -1.244537 9.599000 
1 1 1   10   13   12 o  250.082   3.7238  624.746   16.612 -1.173859 7.447628 
1 1 1   10   13   13 o  377.353   3.8590  1425.16   26.861 -0.5038452 7.717965 
1 1 1   10   13   14 o   41.633   11.662   6.2577   12.856 -18.60044 23.32406 
1 1 1   10   13   15 o  166.093   4.8153  276.059   13.950 -0.5037079 9.630628 
1 1 1   10   13   16 o  178.564   4.4778  311.693   14.214 -9.392715 8.955609 
1 1 1   10   13   17 o  342.738   2.9272  1176.33   20.065 2.231720 5.854405 
1 1 1   10   13   18 o  136.025   3.9487  185.609   10.742 -0.3140564 7.897323 
1 1 1   10   13   19 o   31.616   9.3116   1.2430   10.012 6.608837 18.62321 
1 1 1   10   13   20 o  160.349   3.3656  257.817   10.790 -0.3055267 6.731199 
1 1 1   10   13   21 o  140.780   3.7199  198.519   10.459 6.049393 7.439899 
1 1 1   10   13   22 o  134.577   3.8932  182.111   10.461 -2.379715 7.786437 
1 1 1   10   13   23 o   27.645   8.9097 -10.6741   11.132 -4.494650 17.81944 
1 1 1   10   13   24 o  107.006   7.9570  115.100   17.029      ?      ? 
1 1 1   10   13   25 o   85.014   6.3425   73.750   10.731 -7.329185 12.68498 
1 1 1   10   13   26 o   26.981   8.4933 -11.1909   10.265 -11.43295 16.98655 
1 1 1   10   13   27 o   89.323   8.6672   80.583   15.483      ?      ? 
1 1 1   10   13   28 f  141.481   4.1507  201.649   11.698 2.855865 8.301353 
1 1 1   10   13   29 o  100.964   5.4726  103.855   10.993 -0.6302185 10.94523 
1 1 1   10   13   30 o  161.944   5.5673  263.969   18.032      ?      ? 
1 1 1   10   13   31 o   84.868   7.0545   74.945   11.791 -14.72867 14.10892 
1 1 1   10   13   32 o   82.459   7.2288   70.151   11.881 -0.1842499 14.45757 
1 1 1   10   13   33 o   49.426   10.689   26.868   11.655 -6.304951 21.37719 
1 1 1   10   13   34 o   61.293   9.9465   41.251   11.950 -3.783802 19.89306 
1 1 1   10   13   35 o   49.065   10.838   26.320   11.783 -0.7038116E-01 21.67654 
1 1 1   10   14    0 o  400.038   4.3729  1602.65   34.975 4.358612 8.745837 
1 1 1   10   14    1 o  414.179   4.4852  1708.59   36.983 -21.55283 8.970482 
1 1 1   10   14    2 o  522.096   7.5888  2730.81   79.242      ?      ? 
1 1 1   10   14    3 o  280.242   5.6512  786.148   31.674      ?      ? 
1 1 1   10   14    4 o  293.860   3.8079  861.081   22.181 -7.981049 7.615709 
1 1 1   10   14    5 o  529.722   5.3768  2808.28   56.896 -11.46869 10.75351 
1 1 1   10   14    6 o  271.490   3.8547  740.405   20.850 23.95520 7.709481 
1 1 1   10   14    7 o  204.602   4.1356  418.891   16.742 -0.8879547 8.271296 
1 1 1   10   14    8 o  153.951   5.0301  238.571   15.109 3.314560 10.06024 
1 1 1   10   14    9 o  416.769   4.5466  1737.01   37.776 -8.735565 9.093139 
1 1 1   10   14   10 o  411.919   4.5372  1696.60   37.266 -9.976837 9.074489 
1 1 1   10   14   11 o  274.076   4.0712  752.521   22.140 0.3192139 8.142451 
1 1 1   10   14   12 o  254.639   3.6875  650.607   16.952 1.280792 7.374993 
1 1 1   10   14   13 o  400.235   3.9555  1599.21   29.273 -3.407959 7.911007 
1 1 1   10   14   14 o  241.528   3.8247  592.551   16.619 8.013519 7.649428 
1 1 1   10   14   15 o  251.765   3.6967  599.975   16.542 -29.41034 7.393463 
1 1 1   10   14   16 o  211.282   3.9545  444.275   14.953 -3.206543 7.909059 
1 1 1   10   14   17 o  155.243   3.4840  241.599   10.816 0.7928467E-01 6.968021 
1 1 1   10   14   18 o   28.859   8.8917  -2.6254   9.6958 -2.227734 17.78343 
1 1 1   10   14   19 o  145.454   3.5304  212.161   10.269 0.5997620 7.060767 
1 1 1   10   14   20 o   92.802   5.3412   86.396   9.8741 11.66313 10.68237 
1 1 1   10   14   21 o  158.781   3.3610  252.977   10.648 -0.2699127 6.722044 
1 1 1   10   14   22 o   68.305   10.444   47.736   14.267      ?      ? 
1 1 1   10   14   24 o   33.671   9.4073   4.4751   10.252 -12.03409 18.81462 
1 1 1   10   14   25 o   88.246   5.7630   78.265   10.054 18.89549 11.52593 
1 1 1   10   14   26 o   25.159   8.2759 -10.8986   10.081 0.9293499 16.55170 
1 1 1   10   14   27 o   97.136   8.1221   95.113   15.779      ?      ? 
1 1 1   10   14   28 o   33.576   9.3517   2.3726   10.546 -15.96825 18.70344 
1 1 1   10   14   30 o   49.501   10.395   27.184   11.187 -7.731186 20.78924 
1 1 1   10   14   31 o   43.014   10.154   17.592   11.247 -17.26157 20.30843 
1 1 1   10   14   32 o   62.004   9.6485   42.728   11.614 -7.512493 19.29707 
1 1 1   10   14   33 o  104.037   5.8972  110.029   12.147 20.60280 11.79443 
1 1 1   10   14   34 f  105.695   9.0652  114.072   19.163      ?      ? 
1 1 1   10   15    0 o  502.950   5.1642  2531.05   51.910 18.37372 10.32840 
1 1 1   10   15    1 o  457.166   4.7937  2093.20   43.826 9.486267 9.587442 
1 1 1   10   15    2 o  271.585   3.8500  737.392   20.836 -4.118073 7.699948 
1 1 1   10   15    3 o  161.267   7.2404  260.584   23.353      ?      ? 
1 1 1   10   15    4 o  149.612   4.7678  223.567   13.771 -1.623795 9.535621 
1 1 1   10   15    5 o  179.096   4.3028  322.421   15.017 3.058472 8.605681 
1 1 1   10   15    6 o  485.956   4.9992  2363.52   48.513 -10.39948 9.998455 
1 1 1   10   15    7 o  363.365   4.1321  1319.39   29.911 -8.649872 8.264107 
1 1 1   10   15    8 o  176.814   4.5238  315.747   15.621 7.057144 9.047503 
1 1 1   10   15    9 o  292.834   3.9043  855.940   22.697 -7.706543 7.808522 
1 1 1   10   15   10 o  120.269   6.5963  150.915   15.227 22.57395 13.19254 
1 1 1   10   15   11 o  245.024   4.1368  604.169   20.017 7.217575 8.273606 
1 1 1   10   15   12 o  162.486   4.6517  256.668   13.288 -10.03481 9.303493 
1 1 1   10   15   13 f   25.231   8.8449 -34.7516   12.541 -11.67000 17.68982 
1 1 1   10   15   14 o  197.673   4.1512  386.056   14.359 -5.561447 8.302409 
1 1 1   10   15   15 o  223.733   3.8844  506.661   15.397 4.937317 7.768759 
1 1 1   10   15   16 o   67.335   10.373   51.776   12.156 15.22950 20.74532 
1 1 1   10   15   17 o  110.104   6.5198  131.924   12.120 17.85011 13.03970 
1 1 1   10   15   18 f   84.227   5.7171   71.347   9.6221 4.243050 11.43416 
1 1 1   10   15   19 o  145.770   3.5186  213.273   10.240 -0.7401428 7.037285 
1 1 1   10   15   20 o  204.207   2.8632  416.864   11.671 8.555908 5.726442 
1 1 1   10   15   21 o   79.318   9.2868   64.000   14.732      ?      ? 
1 1 1   10   15   23 o   56.498   8.7863   33.917   9.9970 21.37242 17.57261 
1 1 1   10   15   24 o   35.756   9.3404   8.8753   9.5420 -12.71482 18.68076 
1 1 1   10   15   25 o  123.911   5.6846  155.099   14.088      ?      ? 
1 1 1   10   15   26 o  125.723   6.0364  158.587   15.178      ?      ? 
1 1 1   10   15   27 o  141.341   3.9189  201.752   11.066 -4.571762 7.837714 
1 1 1   10   15   29 o   72.903   7.5966   54.349   11.045 6.831573 15.19324 
1 1 1   10   15   30 o   62.431   9.0903   41.761   10.942 5.993587 18.18055 
1 1 1   10   15   31 o   30.113   9.3600  -2.5777   10.897 -0.8286934 18.71998 
1 1 1   10   15   32 o   43.064   10.620   17.828   11.317 8.763847 21.23959 
1 1 1   10   15   33 o   53.199   10.597   30.949   11.808 -6.530487 21.19366 
1 1 1   10   15   34 o   64.254   9.7789   45.306   12.222 10.26617 19.55772 
1 1 1   10   16    0 o  175.958   4.2812  313.516   14.876 15.69305 8.562449 
1 1 1   10   16    1 o  193.408   4.1488  377.388   15.930 19.35181 8.297599 
1 1 1   10   16    2 o  342.563   3.9790  1174.60   27.234 -3.118500 7.957911 
1 1 1   10   16    3 o  495.950   4.4208  2434.47   40.454 -14.84866 8.841598 
1 1 1   10   16    4 o  296.691   3.7254  880.736   21.958 -1.710022 7.450860 
1 1 1   10   16    5 o  155.825   4.6090  245.757   13.910 6.734543 9.217956 
1 1 1   10   16    6 o  381.088   4.2031  1452.13   31.918 -7.618591 8.406251 
1 1 1   10   16    7 f  265.519   3.8101  706.376   19.980 0.8686829 7.620273 
1 1 1   10   16    8 o  124.270   5.9100  152.453   14.230 -7.869118 11.82009 
1 1 1   10   16    9 f   84.682   9.4484   79.760   14.295 25.15490 18.89675 
1 1 1   10   16   10 o  134.272   5.6531  181.757   14.829 2.876328 11.30613 
1 1 1   10   16   11 o  241.251   3.9617  582.710   18.932 -1.230865 7.923380 
1 1 1   10   16   12 o  183.237   4.1016  341.137   13.360 5.816727 8.203270 
1 1 1   10   16   13 o  263.714   3.5130  709.900   16.961 12.96707 7.025999 
1 1 1   10   16   14 o  390.940   3.9118  1529.09   28.118 -1.884644 7.823520 
1 1 1   10   16   15 o   99.970   7.2770  102.989   12.153 4.253342 14.55398 
1 1 1   10   16   16 o  337.730   3.6332  1145.11   22.491 1.475800 7.266333 
1 1 1   10   16   17 o  301.682   3.5177  913.387   19.408 0.8946838 7.035432 
1 1 1   10   16   18 o   95.029   7.1731   91.795   12.010 1.108002 14.34616 
1 1 1   10   16   19 o   42.943   9.3356   18.560   9.4281 -15.38297 18.67111 
1 1 1   10   16   20 o  109.568   6.6944  121.068   14.670      ?      ? 
1 1 1   10   16   23 o   65.666   7.3264   43.904   9.6065 5.119576 14.65273 
1 1 1   10   16   24 f   48.304   9.5407   24.888   9.6368 7.351227 19.08136 
1 1 1   10   16   25 o  134.291   4.0938  180.519   10.944 -18.26070 8.187550 
1 1 1   10   16   26 o   85.430   6.3792   74.462   10.845 -11.40977 12.75834 
1 1 1   10   16   27 o   39.619   10.080   14.503   10.381 -6.132519 20.16043 
1 1 1   10   16   28 o  107.122   6.7542  115.781   14.470      ?      ? 
1 1 1   10   16   29 o   39.976   10.245   14.660   10.754 -6.094818 20.49100 
1 1 1   10   16   30 o   72.235   8.0885   57.042   10.916 -15.70688 16.17699 
1 1 1   10   16   31 o   25.647   8.3577 -16.3054   10.891 -9.513020 16.71531 
1 1 1   10   16   32 o   95.336   6.0875   92.443   11.564 7.602287 12.17491 
1 1 1   10   16   33 o  102.838   5.9368  107.644   12.198 -1.093399 11.87358 
1 1 1   10   17    0 o  452.083   4.7121  2047.99   42.592 -2.245392 9.424114 
1 1 1   10   17    1 o  367.850   4.1135  1353.40   30.240 18.53455 8.227011 
1 1 1   10   17    2 o  623.678   6.2110  3903.71   77.461 8.453003 12.42197 
1 1 1   10   17    3 o  344.166   3.4384  1210.65   22.386 23.49420 6.876797 
1 1 1   10   17    4 o  379.100   4.1507  1437.75   31.371 -6.374023 8.301325 
1 1 1   10   17    5 o  204.444   3.8787  424.838   15.573 19.69286 7.757409 
1 1 1   10   17    6 o  116.858   5.8587  136.414   13.183 -1.984985 11.71735 
1 1 1   10   17    7 o  330.983   3.9217  1094.02   25.767 -8.173706 7.843459 
1 1 1   10   17    8 o  259.987   3.8220  678.167   19.609 2.563690 7.643970 
1 1 1   10   17    9 o  199.115   4.1853  398.674   16.357 3.712769 8.370665 
1 1 1   10   17   10 o  264.515   3.8565  702.959   20.282 7.699249 7.713087 
1 1 1   10   17   11 o  198.141   4.2259  396.804   16.529 11.82135 8.451807 
1 1 1   10   17   12 o   81.337   8.5100   70.020   11.548 6.820374 17.01991 
1 1 1   10   17   13 o  132.053   5.0836  173.055   11.707 -3.093979 10.16717 
1 1 1   10   17   14 o  230.630   3.5095  526.676   14.431 -5.910767 7.019076 
1 1 1   10   17   15 o   86.595   8.4233   88.687   11.234 25.76230 16.84669 
1 1 1   10   17   16 o  335.774   3.5868  1119.92   21.944 -7.430847 7.173564 
1 1 1   10   17   17 o  151.093   4.7161  231.517   12.383 2.875931 9.432119 
1 1 1   10   17   18 o  179.520   4.0521  316.222   13.002 -8.926743 8.104218 
1 1 1   10   17   19 o  125.809   5.8153  174.633   12.433 24.12854 11.63056 
1 1 1   10   17   20 o  162.867   4.5741  265.689   14.900      ?      ? 
1 1 1   10   17   21 o   66.676   11.904   46.621   15.303      ?      ? 
1 1 1   10   17   22 f   24.542   7.9226 -14.3783   9.1883 11.84475 15.84527 
1 1 1   10   17   23 o   83.741   5.6984   71.310   9.5085 -4.877090 11.39679 
1 1 1   10   17   24 o   33.012   9.2563   3.1159   10.016 -13.04340 18.51257 
1 1 1   10   17   25 o   90.353   5.8775   82.981   10.557 10.43326 11.75494 
1 1 1   10   17   26 o   98.346   5.3366   98.289   10.488 5.670532 10.67325 
1 1 1   10   17   27 o  116.367   7.1229  136.932   16.577      ?      ? 
1 1 1   10   17   28 o   29.582   9.2486  -3.0005   10.770 -0.9856415 18.49713 
1 1 1   10   17   29 f   54.435   9.8587   32.736   10.738 -3.500126 19.71734 
1 1 1   10   17   30 f   58.229   9.5841   36.447   10.958 13.55641 19.16812 
1 1 1   10   17   31 o   74.394   7.6213   57.030   11.275 3.401527 15.24254 
1 1 1   10   17   32 o   45.921   9.4122   19.965   11.493 -30.77732 18.82438 
1 1 1   10   17   33 o   59.953   9.6691   40.910   11.467 16.09611 19.33822 
1 1 1   10   18    0 o  149.825   4.7058  229.400   13.827 22.32733 9.411680 
1 1 1   10   18    1 o  156.352   4.6410  252.341   14.080 34.65904 9.281985 
1 1 1   10   18    2 o  308.499   3.7908  954.429   23.347 6.915497 7.581620 
1 1 1   10   18    3 o  527.409   4.6470  2766.52   45.485 -10.68365 9.293973 
1 1 1   10   18    4 o  237.789   3.3054  579.738   14.172 13.65154 6.610703 
1 1 1   10   18    5 o  372.928   4.1129  1391.95   30.585 -5.574463 8.225731 
1 1 1   10   18    6 o  308.611   3.8101  953.948   23.366 -0.3896484 7.620102 
1 1 1   10   18    7 o  128.363   5.7087  177.508   13.465 29.65949 11.41750 
1 1 1   10   18    8 o  257.800   3.7872  669.563   19.295 10.42987 7.574322 
1 1 1   10   18    9 o  201.761   4.0509  406.873   15.993 -2.526718 8.101876 
1 1 1   10   18   10 o   62.087   11.014   41.811   13.516 8.621487 22.02780 
1 1 1   10   18   11 o   23.157   8.1485 -46.6556   13.363 -8.506224 16.29701 
1 1 1   10   18   12 o  171.447   4.3713  295.920   14.672 2.671173 8.742515 
1 1 1   10   18   13 o  131.567   4.9674  177.608   11.287 5.939560 9.934708 
1 1 1   10   18   14 o  349.617   3.5559  1224.54   22.947 -0.5297852 7.111715 
1 1 1   10   18   15 o   33.271   9.8587   3.0040   10.663 1.291275 19.71733 
1 1 1   10   18   16 o  209.573   3.4908  445.240   13.241 5.383209 6.981657 
1 1 1   10   18   17 o  235.529   3.3947  556.196   14.545 -0.1046448 6.789329 
1 1 1   10   18   18 o  178.505   4.2792  341.254   13.240 24.64621 8.558429 
1 1 1   10   18   19 o  199.994   6.7961  401.276   27.184      ?      ? 
1 1 1   10   18   20 o  152.499   5.4869  275.606   13.835 59.87160 10.97377 
1 1 1   10   18   21 o   50.585   9.0383   26.960   9.1161 7.318321 18.07662 
1 1 1   10   18   22 o   58.916   8.1225   36.595   9.3306 -6.876038 16.24500 
1 1 1   10   18   23 o  111.579   4.6572  126.905   10.328 -11.98862 9.314351 
1 1 1   10   18   24 o   97.922   7.9851   96.657   15.638      ?      ? 
1 1 1   10   18   25 f  131.933   4.1783  176.223   10.993 -6.159927 8.356700 
1 1 1   10   18   26 o   50.814   10.067   27.901   10.621 2.479805 20.13384 
1 1 1   10   18   27 o   88.756   6.2003   79.699   10.944 12.39561 12.40067 
1 1 1   10   18   28 o   59.647   9.1561   39.460   10.807 -18.79295 18.31223 
1 1 1   10   18   29 o   82.670   6.7324   71.522   10.899 -11.09298 13.46477 
1 1 1   10   18   30 o   99.590   5.6914  100.851   11.253 3.890564 11.38270 
1 1 1   10   18   31 o   26.859   8.7981 -12.7415   11.396 -3.065859 17.59621 
1 1 1   10   18   32 o   84.418   9.7524   73.213   16.466      ?      ? 
1 1 1   10   19    0 o  266.680   3.6472  713.130   19.411 21.24194 7.294447 
1 1 1   10   19    1 o  352.814   3.9938  1247.34   28.171 11.84586 7.987582 
1 1 1   10   19    2 o  338.984   3.9223  1150.52   26.573 17.93716 7.844604 
1 1 1   10   19    3 o  528.625   4.6593  2782.47   45.706 -9.241455 9.318571 
1 1 1   10   19    4 o  384.305   3.6486  1492.59   26.264 10.22754 7.297206 
1 1 1   10   19    5 o  240.847   5.5969  581.223   26.960      ?      ? 
1 1 1   10   19    6 o  235.151   3.6447  520.688   16.337 -45.08244 7.289311 
1 1 1   10   19    7 o   42.592   10.494   2.4617   12.327 -33.99483 20.98781 
1 1 1   10   19    8 o   32.685   9.7684  -5.0601   12.629 12.02839 19.53675 
1 1 1   10   19    9 o  283.504   3.7228  802.327   20.843 -7.758240 7.445687 
1 1 1   10   19   10 o  274.087   3.6936  751.589   20.032 -3.972473 7.387294 
1 1 1   10   19   11 o  173.160   4.2706  304.543   14.327 9.168854 8.541129 
1 1 1   10   19   12 o  343.708   3.9480  1185.32   27.059 0.1122131 7.896087 
1 1 1   10   19   13 o  102.757   5.9706  110.652   10.405 8.299973 11.94122 
1 1 1   10   19   14 o  139.236   4.5275  198.783   10.895 5.927780 9.055017 
1 1 1   10   19   15 f  307.199   3.3409  953.385   19.008 6.111847 6.681719 
1 1 1   10   19   16 o  134.766   4.5216  183.754   11.016 2.087021 9.043123 
1 1 1   10   19   17 o   20.647   10.445 -73.2539   21.454      ?      ? 
1 1 1   10   19   18 o  220.165   6.2274  485.855   27.421      ?      ? 
1 1 1   10   19   20 o   30.623   9.8271  -6.8926   11.727 -6.452967 19.65429 
1 1 1   10   19   21 o  134.805   5.3805  187.148   12.816 5.998337 10.76097 
1 1 1   10   19   22 o  175.908   3.1897  307.348   11.130 17.82718 6.379442 
1 1 1   10   19   23 o  135.830   4.0455  185.163   10.977 0.4907532 8.090902 
1 1 1   10   19   24 o   74.248   6.9462   56.623   10.299 5.315903 13.89241 
1 1 1   10   19   25 o   62.620   8.6164   41.990   10.514 -9.999062 17.23288 
1 1 1   10   19   26 o  115.058   4.7814  133.665   10.946 1.156448 9.562787 
1 1 1   10   19   27 o   94.503   5.8153   91.840   10.822 -6.504349 11.63055 
1 1 1   10   19   28 o   43.255   10.129   17.484   10.615 16.01299 20.25840 
1 1 1   10   19   29 o   37.359   10.046   11.252   10.609 -5.619160 20.09240 
1 1 1   10   19   30 o   23.872   8.0951 -21.9689   10.954 6.423113 16.19011 
1 1 1   10   19   31 o  167.795   3.6270  283.726   12.148 -2.707596 7.253959 
1 1 1   10   20    0 f  303.366   3.6991  922.158   22.402 -0.4002075 7.398256 
1 1 1   10   20    1 o  549.753   5.5355  3036.37   60.856 -2.096191 11.07096 
1 1 1   10   20    2 o  585.873   5.0883  3434.36   55.723 -4.968994 10.17657 
1 1 1   10   20    3 o  306.245   3.2473  959.347   18.474 18.34244 6.494502 
1 1 1   10   20    4 o  104.169   5.4181  109.787   9.4522 1.546135 10.83625 
1 1 1   10   20    5 o   90.960   6.4638   88.245   9.5167 9.698792 12.92755 
1 1 1   10   20    6 o  200.308   5.9163  402.649   23.701      ?      ? 
1 1 1   10   20    7 o  107.205   5.9724  117.546   12.044 5.385033 11.94480 
1 1 1   10   20    8 o  133.321   5.0007  184.905   12.574 16.10442 10.00133 
1 1 1   10   20    9 o   47.831   10.814   23.453   11.791 7.535141 21.62881 
1 1 1   10   20   10 o  251.644   3.5842  633.523   17.786 -3.411911 7.168420 
1 1 1   10   20   11 o  116.493   5.4889  138.545   12.181 5.764534 10.97771 
1 1 1   10   20   12 o  187.290   3.8827  349.867   14.223 -5.608658 7.765484 
1 1 1   10   20   13 o  169.656   4.1394  290.272   13.704 2.908234 8.278864 
1 1 1   10   20   14 o   78.870   7.3465   63.019   9.9727 0.2021866 14.69299 
1 1 1   10   20   15 o  192.927   3.6089  383.222   12.444 11.32657 7.217885 
1 1 1   10   20   16 o  237.051   5.6856  564.130   26.956      ?      ? 
1 1 1   10   20   17 o   90.147   12.062   82.011   21.747      ?      ? 
1 1 1   10   20   18 o  248.712   3.4408  608.529   15.439 -12.28487 6.881540 
1 1 1   10   20   19 f  153.032   4.4351  238.173   11.907 3.541245 8.870239 
1 1 1   10   20   20 o   97.272   7.0322  101.857   11.786 12.17735 14.06436 
1 1 1   10   20   21 o  193.915   4.0919  379.382   14.463 1.018890 8.183760 
1 1 1   10   20   22 o  156.623   5.1255  269.447   14.107 34.61385 10.25108 
1 1 1   10   20   23 o   41.868   9.7368   17.472   9.8836 -11.88069 19.47357 
1 1 1   10   20   25 f   92.359   5.7161   86.451   10.531 0.9470749 11.43228 
1 1 1   10   20   26 o   36.055   9.9192   9.0150   10.472 -4.999760 19.83835 
1 1 1   10   20   27 o  133.663   4.2459  181.277   11.258 -4.213959 8.491796 
1 1 1   10   20   28 o   27.852   8.8004  -7.2481   10.561 -7.017076 17.60090 
1 1 1   10   20   29 o   46.263   10.072   23.018   10.703 -13.03318 20.14327 
1 1 1   10   20   30 o  176.587   3.4739  313.262   12.247 4.301224 6.947713 
1 1 1   10   20   31 o  142.945   4.0305  208.221   11.522 -2.214615 8.060960 
1 1 1   10   21    0 o  220.349   3.5510  485.834   15.557 -3.642929 7.101924 
1 1 1   10   21    1 o  229.888   3.5052  530.678   15.973 3.154358 7.010382 
1 1 1   10   21    2 o  198.935   5.5981  396.959   22.273      ?      ? 
1 1 1   10   21    3 o  183.671   3.3506  349.314   10.545 12.29796 6.701195 
1 1 1   10   21    4 o  165.512   3.5882  284.208   9.8815 10.82634 7.176452 
1 1 1   10   21    5 o  163.933   3.5714  263.783   9.7416 -5.921249 7.142744 
1 1 1   10   21    6 o  127.765   4.3922  157.430   9.2414 -8.544868 8.784371 
1 1 1   10   21    7 f  230.879   3.1644  527.268   12.698 -5.797424 6.328876 
1 1 1   10   21    8 o  291.930   3.6064  852.813   20.848 -4.591553 7.212844 
1 1 1   10   21    9 o  272.606   3.5687  743.261   19.206 -4.807556 7.137414 
1 1 1   10   21   10 o  259.800   3.5795  674.979   18.277 -4.655243 7.158926 
1 1 1   10   21   11 f   94.302   6.5429   90.540   11.812 2.183510 13.08576 
1 1 1   10   21   12 o   99.199   6.3212  102.404   11.751 9.239357 12.64231 
1 1 1   10   21   14 o  207.736   6.1325  434.611   25.479      ?      ? 
1 1 1   10   21   15 o  237.668   5.7571  566.025   27.366      ?      ? 
1 1 1   10   21   16 o   90.014   8.0345   98.059   10.912 30.91201 16.06907 
1 1 1   10   21   17 o   66.089   9.2814   47.445   10.269 6.232697 18.56277 
1 1 1   10   21   18 o   96.740   6.3415   94.738   10.496 -0.2119446E-01 12.68309 
1 1 1   10   21   19 o  121.860   5.4159  159.085   11.215 14.33769 10.83172 
1 1 1   10   21   20 o   48.363   17.565   20.703   21.985      ?      ? 
1 1 1   10   21   21 o   97.253   6.9379   99.976   11.635 9.040436 13.87588 
1 1 1   10   21   22 f   30.044   9.7157  -7.4134   11.393 -8.287180 19.43142 
1 1 1   10   21   23 o   43.443   11.080   18.292   12.096 5.840050 22.15909 
1 1 1   10   21   24 o  100.690   5.1698  102.533   10.407 3.805702 10.33950 
1 1 1   10   21   25 o   76.028   6.8828   58.921   10.380 13.77767 13.76570 
1 1 1   10   21   26 o   44.135   10.274   20.222   10.709 -7.652309 20.54831 
1 1 1   10   21   27 f   62.407   9.0620   41.301   11.150 23.89486 18.12392 
1 1 1   10   21   28 o   74.733   7.9625   58.988   10.971 35.93413 15.92505 
1 1 1   10   21   29 o   70.780   7.8824   52.306   10.862 10.42561 15.76473 
1 1 1   10   21   30 o   96.693   5.3743   95.508   10.379 -0.4153137 10.74858 
1 1 1   10   22    0 o  404.895   4.2655  1644.22   34.480 -7.133606 8.531083 
1 1 1   10   22    1 o  321.460   3.7091  1037.51   23.815 6.889557 7.418284 
1 1 1   10   22    2 f  179.368   3.3323  330.324   9.9900 8.235504 6.664686 
1 1 1   10   22    3 o  129.496   4.2534  180.918   8.5636 16.00492 8.506850 
1 1 1   10   22    4 o  212.389   3.1022  450.958   11.170 -0.7673340 6.204446 
1 1 1   10   22    5 o  138.265   3.9908  195.738   8.8080 4.940002 7.981587 
1 1 1   10   22    6 o  173.426   3.3220  283.921   9.6343 -18.11871 6.644033 
1 1 1   10   22    7 o  215.580   3.0903  454.860   11.411 -9.614273 6.180547 
1 1 1   10   22    8 o   98.530   5.5112  100.797   8.6136 5.320869 11.02235 
1 1 1   10   22    9 o  136.205   4.4586  183.491   11.037 -5.071243 8.917218 
1 1 1   10   22   10 o  208.228   3.5579  422.376   13.831 -16.43982 7.115755 
1 1 1   10   22   11 o   60.477   9.7414   31.882   10.543 -28.29102 19.48270 
1 1 1   10   22   13 o  325.601   4.0449  1018.28   25.716 94.85889 8.089818 
1 1 1   10   22   14 o   36.763   16.117  -4.8038   22.649      ?      ? 
1 1 1   10   22   15 o  182.819   3.6800  331.643   11.484 -4.624008 7.360002 
1 1 1   10   22   16 o   85.536   6.9181   72.089   10.123 -4.625923 13.83611 
1 1 1   10   22   17 o  163.219   3.8977  264.780   11.196 -3.735245 7.795480 
1 1 1   10   22   18 o   27.323   13.130 -26.0384   20.875      ?      ? 
1 1 1   10   22   19 o  163.645   4.2902  287.386   12.344 26.05627 8.580494 
1 1 1   10   22   20 o  124.273   5.0981  147.346   11.361 -15.32471 10.19623 
1 1 1   10   22   21 o  122.480   5.3277  146.740   11.487 -8.788689 10.65546 
1 1 1   10   22   22 o   40.053   11.319   9.7262   12.127 -9.696491 22.63846 
1 1 1   10   22   23 o   87.289   8.0683   71.694   12.575 -15.89225 16.13669 
1 1 1   10   22   24 o   71.824   10.160   58.743   12.573 12.51509 20.32038 
1 1 1   10   22   25 o   74.216   6.8600   56.658   10.156 0.4964676 13.72001 
1 1 1   10   22   26 o   35.598   9.6130   6.9860   10.315 14.66211 19.22600 
1 1 1   10   22   27 o   45.014   10.503   20.834   11.097 7.167553 21.00559 
1 1 1   10   22   28 o  112.056   5.1438  128.189   11.451 -11.47639 10.28756 
1 1 1   10   22   29 o   33.642   9.7665   5.1459   10.527 2.043407 19.53298 
1 1 1   10   23    0 o  201.745   3.4651  410.549   13.837 8.174133 6.930162 
1 1 1   10   23    1 o  284.995   3.0639  805.701   15.590 -6.399109 6.127816 
1 1 1   10   23    2 o  283.524   3.0544  818.334   15.787 11.05005 6.108803 
1 1 1   10   23    3 o  157.528   3.5242  258.785   8.9152 10.82370 7.048343 
1 1 1   10   23    4 o  248.252   2.9964  613.002   12.944 -3.680679 5.992877 
1 1 1   10   23    5 o  258.229   3.0143  662.825   13.603 -4.242920 6.028679 
1 1 1   10   23    6 o  115.190   4.6207  139.103   8.3315 8.313408 9.241421 
1 1 1   10   23    7 o  147.990   3.7675  223.294   8.9623 4.186966 7.534993 
1 1 1   10   23    8 o   75.759   8.1747   71.103   8.4282 23.86829 16.34933 
1 1 1   10   23    9 o  147.176   4.4068  226.059   9.7323 8.717102 8.813677 
1 1 1   10   23   11 o  378.842   4.7289  905.419   28.015 260.9001 9.457797 
1 1 1   10   23   12 o  183.725   5.2369  394.243   16.300 98.75415 10.47376 
1 1 1   10   23   13 o   26.322   8.9614 -35.7591   12.191 -18.46274 17.92271 
1 1 1   10   23   14 f  213.549   3.6368  451.484   15.080 -12.63615 7.273589 
1 1 1   10   23   15 o   29.437   9.3789  -6.9257   9.4843 -15.29373 18.75786 
1 1 1   10   23   16 o   69.002   9.0114   57.631   9.7942 20.05825 18.02280 
1 1 1   10   23   17 o  183.652   3.6782  340.067   11.965 1.672012 7.356375 
1 1 1   10   23   18 o  142.470   7.5206  204.212   21.429      ?      ? 
1 1 1   10   23   19 o  119.727   8.8874  146.633   21.281      ?      ? 
1 1 1   10   23   20 o  122.255   5.5996  162.372   11.620 17.55226 11.19911 
1 1 1   10   23   21 o  146.039   4.6917  195.904   12.371 -29.51805 9.383491 
1 1 1   10   23   22 o  156.307   4.8007  254.751   13.018 10.34468 9.601439 
1 1 1   10   23   23 o   58.638   10.973   37.627   12.092 1.379368 21.94646 
1 1 1   10   23   24 o   58.234   11.163   36.577   12.431 -2.870167 22.32568 
1 1 1   10   23   25 o   29.890   9.8082 -12.6934   12.297 -11.57060 19.61637 
1 1 1   10   23   26 o   80.874   8.9673   67.471   12.661 -2.796074 17.93453 
1 1 1   10   23   27 o   94.394   5.8052   91.036   10.921 5.101189 11.61037 
1 1 1   10   23   28 o   33.720   9.1866   4.1808   9.9376 15.98829 18.37320 
1 1 1   10   24    0 o  147.940   4.2754  218.351   12.590 -12.47444 8.550749 
1 1 1   10   24    1 o  190.543   3.0929  357.211   9.9283 -6.455734 6.185877 
1 1 1   10   24    2 o  247.595   2.9993  617.707   13.092 2.759781 5.998598 
1 1 1   10   24    3 o  115.779   5.0148  163.652   8.2735 37.27800 10.02957 
1 1 1   10   24    4 o  113.453   4.7735  137.594   8.2566 11.27428 9.546959 
1 1 1   10   24    5 o  315.940   5.4843  1004.53   34.654      ?      ? 
1 1 1   10   24    6 o   63.560   15.190   43.510   19.074      ?      ? 
1 1 1   10   24    7 o  302.101   3.4101  913.592   20.604      ?      ? 
1 1 1   10   24    8 o  315.553   5.6461  997.629   35.633      ?      ? 
1 1 1   10   24    9 o  139.581   5.5257  265.625   10.359 75.32635 11.05134 
1 1 1   10   24   10 o  136.431   4.4360  175.259   9.5102 -13.86510 8.871952 
1 1 1   10   24   11 o  166.268   3.9654  252.079   12.155 -39.68208 7.930758 
1 1 1   10   24   12 f   44.132   10.402   19.678   10.516 2.725075 20.80334 
1 1 1   10   24   13 o  155.133   3.9092  241.086   11.706 -2.465454 7.818404 
1 1 1   10   24   14 o   79.777   7.0868   64.359   10.730 -2.912643 14.17354 
1 1 1   10   24   16 o  173.960   6.7337  303.866   23.428      ?      ? 
1 1 1   10   24   17 o   24.345   8.3298 -17.5568   9.5985 -10.42906 16.65967 
1 1 1   10   24   18 o   93.122   6.3364   90.212   9.9777 4.245049 12.67271 
1 1 1   10   24   19 o  106.799   6.3585  129.368   11.159 23.82523 12.71691 
1 1 1   10   24   20 o  135.096   5.1875  198.712   11.920 22.08041 10.37507 
1 1 1   10   24   21 o  140.082   4.8311  197.742   12.110 -1.895950 9.662178 
1 1 1   10   24   22 o  136.001   4.9272  185.698   12.064 -2.220337 9.854490 
1 1 1   10   24   23 o   44.961   11.214   13.521   11.978 -24.31675 22.42745 
1 1 1   10   24   24 o   90.816   7.5933   84.069   12.377 -2.741287 15.18670 
1 1 1   10   24   25 o  101.910   6.9571  106.790   12.805 0.9009247 13.91416 
1 1 1   10   24   26 o  103.616   6.8991  114.592   12.693 11.15274 13.79812 
1 1 1   10   24   27 f  100.748   6.6121  103.254   11.888 -1.013313 13.22417 
1 1 1   10   25    0 f  226.305   3.6789  504.078   16.359 59.99371 7.357878 
1 1 1   10   25    1 f  295.229   5.3091  873.100   31.348      ?      ? 
1 1 1   10   25    2 f  207.865   3.0535  402.798   10.674 -25.97388 6.106930 
1 1 1   10   25    3 o  327.580   3.2698  1097.70   20.087 21.53638 6.539618 
1 1 1   10   25    4 o  158.045   6.4003  250.437   20.231      ?      ? 
1 1 1   10   25    5 o  155.102   6.7066  241.485   20.804      ?      ? 
1 1 1   10   25    6 o  121.794   5.4105  186.603   9.7642 51.17037 10.82096 
1 1 1   10   25    7 o  216.193   3.2224  464.417   11.784 -4.217651 6.444769 
1 1 1   10   25    8 o  232.533   3.1368  547.105   12.525 3.858109 6.273689 
1 1 1   10   25    9 o  129.109   4.2146  166.441   8.6377 -1.229202 8.429099 
1 1 1   10   25   10 o  123.238   4.4495  160.578   8.5376 10.36953 8.898993 
1 1 1   10   25   11 o  275.814   3.0684  758.965   15.066 -3.251953 6.136726 
1 1 1   10   25   12 o  248.396   3.3929  619.653   16.591 -4.363541 6.785894 
1 1 1   10   25   13 o  216.982   3.5538  482.464   15.133 30.89253 7.107562 
1 1 1   10   25   14 o  262.476   3.5758  566.492   16.596 -103.8978 7.151660 
1 1 1   10   25   15 o  167.001   4.2065  285.402   13.423 9.976761 8.412981 
1 1 1   10   25   16 o   88.862   6.1440   71.551   9.3932 -18.77753 12.28801 
1 1 1   10   25   17 o   74.309   8.6765   67.954   9.7812 23.99566 17.35302 
1 1 1   10   25   18 o  141.734   4.3921  188.377   10.874 -19.61655 8.784169 
1 1 1   10   25   19 o   27.926   9.1336  -8.4720   10.576 -5.070059 18.26724 
1 1 1   10   25   20 o   93.287   6.5515   87.684   10.625 -2.238258 13.10302 
1 1 1   10   25   21 o  105.181   5.9767  109.160   11.257 -7.217400 11.95346 
1 1 1   10   25   22 o   70.608   9.4460   53.499   11.437 3.218643 18.89207 
1 1 1   10   25   23 o  112.620   6.1689  131.960   11.965 4.570854 12.33779 
1 1 1   10   25   24 f   47.955   11.401   21.333   11.942 -13.83909 22.80254 
1 1 1   10   25   25 o   83.580   7.8353   69.975   11.846 -4.649208 15.67060 
1 1 1   10   25   26 o   32.959   9.6210   4.2829   10.549 5.170624 19.24201 
1 1 1   10   26    0 o  211.252   2.9403  444.647   10.850 -2.888046 5.880524 
1 1 1   10   26    1 o  202.114   2.9677  411.877   10.452 2.161316 5.935336 
1 1 1   10   26    2 o  139.815   3.8649  199.702   9.9360 5.871780 7.729737 
1 1 1   10   26    3 o  126.605   4.0744  165.801   8.4560 6.680191 8.148864 
1 1 1   10   26    4 o  111.788   4.5510  122.655   8.2471 -4.504875 9.101915 
1 1 1   10   26    5 o  128.260   4.2621  175.727   8.4714 13.14370 8.524180 
1 1 1   10   26    6 o  122.034   4.2762  150.395   7.8690 1.028412 8.552322 
1 1 1   10   26    7 o  164.806   3.3592  270.266   8.7614 -2.126999 6.718331 
1 1 1   10   26    8 o  139.516   3.6717  193.682   7.7756 -1.760269 7.343467 
1 1 1   10   26    9 o   59.515   8.4948   45.517   7.1366 20.40406 16.98967 
1 1 1   10   26   10 o  111.169   4.8733  139.594   8.0705 20.25563 9.746658 
1 1 1   10   26   11 o  118.789   3.9640  127.507   7.9866 -21.86606 7.927928 
1 1 1   10   26   12 o  264.614   2.9717  728.517   14.767 33.31491 5.943331 
1 1 1   10   26   13 o   59.981   8.2948   49.039   10.406 50.04069 16.58954 
1 1 1   10   26   14 o  117.485   4.9679  143.845   10.850 10.20685 9.935823 
1 1 1   10   26   15 o   63.460   9.1467   42.937   10.634 1.733444 18.29339 
1 1 1   10   26   16 o  111.276   5.4091  117.560   11.353 -20.38111 10.81816 
1 1 1   10   26   17 o   79.955   7.0672   58.145   9.8873 -17.22501 14.13446 
1 1 1   10   26   18 o   84.562   7.8917   83.541   10.038 19.15544 15.78337 
1 1 1   10   26   19 o  105.524   5.5442  104.704   10.158 -15.14258 11.08838 
1 1 1   10   26   20 o   42.237   9.5074   19.642   10.380 18.69888 19.01483 
1 1 1   10   26   21 o   87.284   7.5359   82.031   10.940 8.133743 15.07185 
1 1 1   10   26   22 o   46.915   11.165   20.679   10.987 -10.74334 22.33047 
1 1 1   10   26   23 o   64.062   9.8122   49.113   11.088 17.77508 19.62444 
1 1 1   10   26   24 o  104.761   6.2016  111.101   11.759 -0.9215546 12.40324 
1 1 1   10   26   25 f   39.569   8.0457   13.677   10.363 32.56749 16.09148 
1 1 1   10   27    0 o  177.209   3.0955  328.285   9.4719 15.27950 6.190989 
1 1 1   10   27    1 o  177.708   3.1097  312.993   9.2454 -3.823608 6.219306 
1 1 1   10   27    2 o  220.581   2.9873  496.374   11.394 7.597305 5.974676 
1 1 1   10   27    3 o  112.687   4.8576  147.641   7.8842 26.03106 9.715266 
1 1 1   10   27    4 o  133.716   3.8972  182.396   7.8977 2.965317 7.794499 
1 1 1   10   27    5 o  109.012   4.9593  138.874   7.2790 23.54314 9.918514 
1 1 1   10   27    6 o  122.470   4.7463  194.906   7.6740 49.39121 9.492653 
1 1 1   10   27    7 o  138.438   3.4942  190.068   7.2419 -2.186859 6.988411 
1 1 1   10   27    8 o  243.859   2.8136  547.397   11.294 -34.20477 5.627257 
1 1 1   10   27    9 o  198.799   2.7811  377.121   9.0025 -15.91855 5.562208 
1 1 1   10   27   10 o  145.159   3.3092  217.268   7.2563 6.321594 6.618351 
1 1 1   10   27   11 o  130.146   3.5933  170.148   6.9234 0.8575439E-01 7.186695 
1 1 1   10   27   12 o  136.539   3.6084  183.344   7.4689 -4.362503 7.216771 
1 1 1   10   27   13 o   97.754   5.0339   90.145   7.4535 -9.784546 10.06788 
1 1 1   10   27   14 o  103.059   5.3780   99.102   10.136 -19.26101 10.75599 
1 1 1   10   27   15 o   93.226   6.6390   95.975   10.566 17.51468 13.27809 
1 1 1   10   27   16 o  148.695   4.3990  229.251   11.912 9.282730 8.797955 
1 1 1   10   27   17 o  153.418   4.0651  231.915   10.425 -5.820465 8.130263 
1 1 1   10   27   18 o   83.750   6.9072   67.258   9.7986 -9.716278 13.81439 
1 1 1   10   27   19 f  192.511   3.6820  378.495   12.209 5.738663 7.364028 
1 1 1   10   27   20 o   40.747   10.764   12.101   10.232 -14.91712 21.52857 
1 1 1   10   27   21 o   90.071   6.9689   83.200   10.715 0.6253204 13.93778 
1 1 1   10   27   22 o  131.721   4.7961  166.270   11.085 -13.93964 9.592239 
1 1 1   10   27   23 o  103.993   5.6746  109.327   10.173 -0.4254379 11.34921 
1 1 1   10   27   24 o   24.742   11.975 -14.1537   18.280      ?      ? 
1 1 1   10   28    0 o  257.248   5.1678  663.369   26.588      ?      ? 
1 1 1   10   28    1 o  377.645   3.5915  1355.76   23.672 -38.83267 7.183035 
1 1 1   10   28    2 o  235.953   2.9582  543.419   11.751 -10.87054 5.916450 
1 1 1   10   28    3 o  230.453   2.9555  541.119   11.433 7.553757 5.911026 
1 1 1   10   28    4 o  185.204   5.5992  344.227   20.740      ?      ? 
1 1 1   10   28    5 o  152.181   6.4112  233.081   19.513      ?      ? 
1 1 1   10   28    6 o  169.477   5.8572  289.574   19.853      ?      ? 
1 1 1   10   28    7 o   87.810   9.3311   79.054   16.387      ?      ? 
1 1 1   10   28    8 o   94.779   8.2893   91.554   15.713      ?      ? 
1 1 1   10   28    9 f  219.085   4.8699  483.345   21.338      ?      ? 
1 1 1   10   28   10 o  125.751   6.9795  160.494   17.554      ?      ? 
1 1 1   10   28   11 o  226.014   5.1863  514.328   23.443      ?      ? 
1 1 1   10   28   12 o  123.290   7.9374  153.909   19.572      ?      ? 
1 1 1   10   28   13 f   74.175   13.603   59.169   19.426      ?      ? 
1 1 1   10   28   14 o  102.781   5.0534   96.630   7.2414 -13.57382 10.10673 
1 1 1   10   28   15 o   83.811   6.7084   75.807   7.5833 7.719795 13.41674 
1 1 1   10   28   16 f   52.034   10.069   31.006   10.166 8.140324 20.13733 
1 1 1   10   28   17 o   50.422   10.647   25.624   10.426 -8.200230 21.29431 
1 1 1   10   28   18 o  125.771   4.8092  158.773   9.8562 -1.526878 9.618312 
1 1 1   10   28   19 o   56.438   9.8127   33.114   9.5936 -3.683292 19.62531 
1 1 1   10   28   20 o   37.754   10.178   11.672   9.5369 -3.990406 20.35647 
1 1 1   10   28   21 o  110.434   5.6371  127.026   9.9224 5.767387 11.27426 
1 1 1   10   28   22 o   22.980   7.9190 -17.5988   9.0393 -9.271315 15.83800 
1 1 1   10   29    0 o  145.725   6.3380  214.765   18.472      ?      ? 
1 1 1   10   29    1 o  149.044   6.1048  224.482   18.198      ?      ? 
1 1 1   10   29    2 o  155.596   5.9713  244.567   18.582      ?      ? 
1 1 1   10   29    3 o  216.217   5.1091  471.069   22.094      ?      ? 
1 1 1   10   29    4 o  111.436   7.8861  126.521   17.576      ?      ? 
1 1 1   10   29    5 o   83.662   10.533   72.398   17.625      ?      ? 
1 1 1   10   29    6 o   91.734   9.5698   86.443   17.558      ?      ? 
1 1 1   10   29    7 o   87.886   9.9450   79.245   17.480      ?      ? 
1 1 1   10   29    8 o  130.318   6.9171  171.599   18.029      ?      ? 
1 1 1   10   29    9 o  179.821   5.6220  325.369   20.219      ?      ? 
1 1 1   10   29   10 o   99.786   9.4075  101.813   18.775      ?      ? 
1 1 1   10   29   11 f  228.661   5.4786  528.643   25.055      ?      ? 
1 1 1   10   29   12 o  269.613   5.4174  732.964   29.212      ?      ? 
1 1 1   10   29   13 o   42.259   16.372   13.964   19.768      ?      ? 
1 1 1   10   29   14 o   48.475   16.959   23.884   20.323      ?      ? 
1 1 1   10   29   15 o   84.997   11.943   75.442   20.303      ?      ? 
1 1 1   10   29   16 o   23.674   11.660 -39.1718   19.620      ?      ? 
1 1 1   10   29   17 o   49.374   16.634   25.680   19.468      ?      ? 
1 1 1   10   29   18 o   45.812   10.192   21.632   9.2942 -2.515839 20.38437 
1 1 1   10   29   19 o  121.934   4.7201  147.079   9.4458 -3.953636 9.440217 
1 1 1   10   29   20 f   69.834   8.6780   51.353   9.1339 2.369690 17.35594 
1 1 1   10   29   21 o   76.877   15.695   86.920   23.297      ?      ? 
1 1 1   10   30    0 f  184.117   5.5591  341.085   20.471      ?      ? 
1 1 1   10   30    1 o  212.134   5.3325  452.555   22.624      ?      ? 
1 1 1   10   30    2 o  176.112   5.8340  312.235   20.549      ?      ? 
1 1 1   10   30    3 o  216.236   5.3295  470.200   23.048      ?      ? 
1 1 1   10   30    4 o  183.830   5.7650  340.258   21.196      ?      ? 
1 1 1   10   30    5 o   79.850   11.595   65.815   18.517      ?      ? 
1 1 1   10   30    6 o   26.447   12.618 -21.8217   18.429      ?      ? 
1 1 1   10   30    7 o   81.179   11.589   69.163   18.816      ?      ? 
1 1 1   10   30    8 o  100.856   9.3948  104.543   18.950      ?      ? 
1 1 1   10   30    9 o  179.053   5.9418  323.678   21.278      ?      ? 
1 1 1   10   30   10 o  131.680   7.7757  176.516   20.478      ?      ? 
1 1 1   10   30   11 o   66.057   15.578   48.613   20.271      ?      ? 
1 1 1   10   30   12 o   64.134   16.085   45.991   20.614      ?      ? 
1 1 1   10   30   13 o   89.599   11.622   83.860   20.826      ?      ? 
1 1 1   10   30   14 o  126.271   8.5753  163.613   21.656      ?      ? 
1 1 1   10   30   15 o  235.791   5.6528  561.489   26.658      ?      ? 
1 1 1   10   30   16 o   57.532   16.553   37.116   20.073      ?      ? 
1 1 1   10   30   17 o  112.980   9.1654  130.461   20.710      ?      ? 
1 1 1   10   30   18 o   82.192   12.188   70.297   20.034      ?      ? 
1 1 1   10   30   19 o  103.711   7.0317  153.043   9.4177 62.87085 14.06348 
1 1 1   10   31    0 o  161.344   6.3340  263.191   20.439      ?      ? 
1 1 1   10   31    1 o  259.896   5.2924  680.651   27.510      ?      ? 
1 1 1   10   31    2 o  108.717   8.6911  120.625   18.897      ?      ? 
1 1 1   10   31    3 o  119.756   7.9746  145.904   19.100      ?      ? 
1 1 1   10   31    4 o  172.808   5.9581  301.602   20.592      ?      ? 
1 1 1   10   31    5 o  117.667   8.0904  141.149   19.039      ?      ? 
1 1 1   10   31    6 o  163.402   6.2273  270.239   20.351      ?      ? 
1 1 1   10   31    7 o  250.728   5.2812  634.094   26.483      ?      ? 
1 1 1   10   31    8 o   82.579   11.348   70.855   18.742      ?      ? 
1 1 1   10   31    9 o   85.229   11.384   75.576   19.405      ?      ? 
1 1 1   10   31   10 o  112.868   9.0843  130.945   20.506      ?      ? 
1 1 1   10   31   11 f   97.658   10.683   99.246   20.865      ?      ? 
1 1 1   10   31   12 o   51.658   17.155   28.623   20.706      ?      ? 
1 1 1   10   31   13 o  122.274   8.7647  153.158   21.434      ?      ? 
1 1 1   10   31   14 o  174.999   6.5508  310.270   22.928      ?      ? 
1 1 1   10   31   15 o   95.809   10.694   94.466   20.492      ?      ? 
1 1 1   10   31   16 o  111.944   9.0804  128.247   20.330      ?      ? 
1 1 1   10   31   17 o   70.260   14.131   57.809   19.159      ?      ? 
1 1 1   10   32    0 o  115.198   7.9741  135.319   18.372      ?      ? 
1 1 1   10   32    1 o  151.396   6.3701  232.094   19.288      ?      ? 
1 1 1   10   32    2 o  166.573   6.0027  280.594   19.998      ?      ? 
1 1 1   10   32    3 o  215.107   5.2640  466.796   22.647      ?      ? 
1 1 1   10   32    4 o   72.370   13.288   56.866   18.515      ?      ? 
1 1 1   10   32    5 f   39.720   15.826   10.870   18.855      ?      ? 
1 1 1   10   32    6 o   51.045   16.496   28.477   19.163      ?      ? 
1 1 1   10   32    7 o  156.081   6.5939  247.342   20.584      ?      ? 
1 1 1   10   32    8 o  103.164   9.4022  109.489   19.399      ?      ? 
1 1 1   10   32    9 o  118.104   8.4107  142.528   19.867      ?      ? 
1 1 1   10   32   10 o  191.740   5.9419  371.868   22.786      ?      ? 
1 1 1   10   32   11 o  102.571   10.059  108.430   20.636      ?      ? 
1 1 1   10   32   12 o  134.908   7.9640  184.969   21.488      ?      ? 
1 1 1   10   32   13 o  154.068   7.0783  240.533   21.811      ?      ? 
1 1 1   10   32   14 o   49.639   16.526   26.465   19.215      ?      ? 
1 1 1   10   33    0 o  107.570   8.5439  118.319   18.381      ?      ? 
1 1 1   10   33    1 o   95.960   9.7014   94.757   18.619      ?      ? 
1 1 1   10   33    2 o  176.378   5.9169  314.470   20.872      ?      ? 
1 1 1   10   33    3 o  247.633   5.3443  618.722   26.468      ?      ? 
1 1 1   10   33    4 o  212.887   5.6021  457.781   23.852      ?      ? 
1 1 1   10   33    5 o  132.271   7.6620  178.319   20.269      ?      ? 
1 1 1   10   33    6 o  150.918   6.8154  231.103   20.571      ?      ? 
1 1 1   10   33    7 f  106.809   9.2508  116.853   19.761      ?      ? 
1 1 1   10   33    8 f  202.600   5.8310  414.065   23.627      ?      ? 
1 1 1   10   33    9 o  154.441   6.8710  241.416   21.223      ?      ? 
1 1 1   10   33   10 o   85.863   11.075   76.274   19.018      ?      ? 
1 1 1   10   33   11 o   33.682   14.539   0.8092   17.875      ?      ? 
1 1 1   10   33   12 o   27.111   12.737   17.106   17.810      ?      ? 
1 1 1   10   34    0 o  172.657   5.9079  300.801   20.401      ?      ? 
1 1 1   10   34    1 o  121.068   7.6697  148.815   18.571      ?      ? 
1 1 1   10   34    2 o  149.162   6.6918  225.105   19.963      ?      ? 
1 1 1   10   34    3 o  245.035   5.3667  605.056   26.301      ?      ? 
1 1 1   10   34    4 o  184.972   5.9810  345.556   22.126      ?      ? 
1 1 1   10   34    5 o  162.726   6.4333  268.098   20.937      ?      ? 
1 1 1   10   34    6 o   64.490   15.246   46.645   19.378      ?      ? 
1 1 1   10   34    7 o   49.778   16.752   28.688   19.744      ?      ? 
1 1 1   11    0    4 f  284.132   5.1992  808.391   29.523 -0.000000 0.000000 
1 1 1   11    0    5 o  283.075   5.2622  802.417   29.769 -0.000000 0.000000 
1 1 1   11    0    7 o  296.151   5.4555  878.266   32.288 -0.000000 0.000000 
1 1 1   11    0    8 o  233.016   5.6568  544.142   26.328 -0.000000 0.000000 
1 1 1   11    0    9 o  265.965   5.8128  708.690   30.887 -0.000000 0.000000 
1 1 1   11    0   10 o  141.337   8.2941  201.979   23.277 -0.000000 0.000000 
1 1 1   11    0   11 o  208.860   6.4688  437.725   26.964 -0.000000 0.000000 
1 1 1   11    0   12 f   29.829   18.860   4.6542   23.488 -0.000000 0.000000 
1 1 1   11    0   15 o  383.014   4.4984  1469.27   34.429 -0.000000 0.000000 
1 1 1   11    0   16 o  314.445   4.2732  990.396   26.841 -0.000000 0.000000 
1 1 1   11    0   17 o  411.995   4.6913  1698.58   38.592 -0.000000 0.000000 
1 1 1   11    0   18 o  171.683   5.5595  297.814   18.924 -0.000000 0.000000 
1 1 1   11    0   19 o   21.987   10.840 -23.0989   16.950 -0.000000 0.000000 
1 1 1   11    0   20 o   98.396   9.5955  105.608   16.955 -0.000000 0.000000 
1 1 1   11    0   21 o   27.926   12.772   1.1294   16.265 -0.000000 0.000000 
1 1 1   11    0   22 o  196.369   4.6821  386.484   18.294 -0.000000 0.000000 
1 1 1   11    0   23 o   33.155   13.749   12.629   15.727 -0.000000 0.000000 
1 1 1   11    0   24 o   55.691   14.142   40.830   15.688 -0.000000 0.000000 
1 1 1   11    0   25 o  171.491   5.3882  297.784   18.199 -0.000000 0.000000 
1 1 1   11    0   27 o   29.887   13.198   1.9948   17.722 -0.000000 0.000000 
1 1 1   11    0   28 o   23.554   11.348  -9.9226   15.835 -0.000000 0.000000 
1 1 1   11    0   29 o   23.003   11.259 -13.2727   16.618 -0.000000 0.000000 
1 1 1   11    0   30 o   56.785   15.897   44.284   17.799 -0.000000 0.000000 
1 1 1   11    0   31 o  151.361   5.8993  234.211   17.597 -0.000000 0.000000 
1 1 1   11    0   32 o   89.638   11.707   93.680   17.627 -0.000000 0.000000 
1 1 1   11    0   33 o   39.035   15.373   23.090   17.404 -0.000000 0.000000 
1 1 1   11    0   34 o   58.607   15.678   48.504   16.965 -0.000000 0.000000 
1 1 1   11    0   35 f   38.774   15.418   22.977   17.791 -0.000000 0.000000 
1 1 1   11    0   36 o   79.883   12.941   75.963   17.923 -0.000000 0.000000 
1 1 1   11    0   37 o   49.295   14.896   29.706   15.397 -0.000000 0.000000 
1 1 1   11    1    3 o  244.999   5.3498  600.673   26.214      ?      ? 
1 1 1   11    1    4 o  293.657   3.7070  862.942   21.766 0.1413269 7.413930 
1 1 1   11    1    5 o  369.942   4.1192  1369.73   30.476 5.274292 8.238421 
1 1 1   11    1    6 o   69.849   10.141   50.665   13.687 -8.216400 20.28124 
1 1 1   11    1    7 o  283.302   3.9236  776.968   21.865 60.93268 7.847252 
1 1 1   11    1    8 o  300.186   3.9758  880.914   23.588 49.96561 7.951572 
1 1 1   11    1    9 o  503.972   5.2395  2543.09   52.806 -4.155212 10.47896 
1 1 1   11    1   10 o  258.500   4.0954  668.601   21.170 5.729874 8.190731 
1 1 1   11    1   11 o  146.194   5.8815  214.514   17.119 17.31108 11.76291 
1 1 1   11    1   12 o  376.182   4.4157  1416.91   33.220 -2.728088 8.831448 
1 1 1   11    1   13 o  337.057   4.2693  1136.73   28.780      ?      ? 
1 1 1   11    1   14 o  211.699   4.7301  448.517   20.027      ?      ? 
1 1 1   11    1   15 o  270.547   3.0241  732.512   16.363 0.7185669 6.048296 
1 1 1   11    1   16 o   90.307   6.7594   81.885   12.208 -0.8534393 13.51885 
1 1 1   11    1   17 o  288.756   3.0199  834.588   17.440 -0.1010742 6.039880 
1 1 1   11    1   18 o  152.834   4.2045  234.119   12.818 14.61255 8.408995 
1 1 1   11    1   19 o   38.458   10.652   8.3511   12.075 6.178806 21.30339 
1 1 1   11    1   20 o  258.178   4.3225  667.417   22.319      ?      ? 
1 1 1   11    1   21 o  101.987   5.8072  104.671   11.842 3.441803 11.61432 
1 1 1   11    1   22 o  114.084   5.0686  130.890   11.554 -5.580734 10.13721 
1 1 1   11    1   23 o   83.184   6.7781   70.542   11.132 -15.25668 13.55629 
1 1 1   11    1   24 o   46.592   10.415   22.145   10.889 3.594673 20.82927 
1 1 1   11    1   25 o   82.183   7.2942   70.368   11.674 -18.56268 14.58838 
1 1 1   11    1   27 o   58.521   9.8292   36.712   12.524 32.85032 19.65843 
1 1 1   11    1   28 o  153.046   3.8952  235.695   11.920 -1.070419 7.790407 
1 1 1   11    1   29 f   27.365   8.9446 -13.2843   11.736 -6.296167 17.88916 
1 1 1   11    1   30 o   46.809   15.772   21.743   17.503      ?      ? 
1 1 1   11    1   31 o   34.480   10.010   3.6692   11.554 8.912226 20.02077 
1 1 1   11    1   32 o  159.368   4.0868  256.120   12.996 -12.02638 8.173622 
1 1 1   11    1   33 o   29.808   9.4413  -9.9744   12.146 9.752832 18.88253 
1 1 1   11    1   34 o   36.305   10.380   6.1939   12.014 -8.142029 20.76096 
1 1 1   11    1   35 o   47.434   11.169   23.606   12.442 3.761215 22.33730 
1 1 1   11    1   36 o   68.967   9.4112   51.705   12.567 14.91490 18.82247 
1 1 1   11    1   37 o   70.118   13.341   56.287   18.034      ?      ? 
1 1 1   11    2    3 o  512.024   7.3595  2625.20   75.365      ?      ? 
1 1 1   11    2    4 o  555.135   5.5679  3084.49   61.785 -10.11792 11.13578 
1 1 1   11    2    5 o  381.884   4.2155  1459.62   32.195 -0.5493164E-01 8.430957 
1 1 1   11    2    6 o  520.673   5.3102  2714.56   55.294 -2.676086 10.62044 
1 1 1   11    2    7 o  353.499   4.1279  1249.77   29.174 11.63647 8.255799 
1 1 1   11    2    8 o  489.901   5.1099  2396.48   49.977 22.23532 10.21971 
1 1 1   11    2    9 o  120.839   8.2152  169.685   17.642 -176.4119 16.43046 
1 1 1   11    2   10 o  312.879   4.1402  974.279   25.827 -22.23349 8.280350 
1 1 1   11    2   11 o  148.683   5.8681  221.397   17.445 -3.788620 11.73620 
1 1 1   11    2   12 o  251.463   4.2881  632.407   21.549 -7.002380 8.576218 
1 1 1   11    2   13 o  253.593   3.8138  644.048   18.027 0.4820251 7.627644 
1 1 1   11    2   14 f  253.299   3.0723  641.940   15.563 2.903030 6.144594 
1 1 1   11    2   15 o  122.644   5.0074  150.728   12.282 -0.5819702 10.01475 
1 1 1   11    2   16 o  119.302   5.1646  142.791   12.308 6.777756 10.32927 
1 1 1   11    2   17 o   87.607   7.1025   77.289   12.419 -5.787048 14.20508 
1 1 1   11    2   18 o  383.800   3.1907  1474.03   24.485 8.079224 6.381410 
1 1 1   11    2   19 o   24.399   8.3057 -27.8617   12.111 5.388790 16.61145 
1 1 1   11    2   20 f  154.498   5.6979  239.249   17.606      ?      ? 
1 1 1   11    2   21 o  146.652   4.1537  215.915   12.176 -5.162903 8.307394 
1 1 1   11    2   22 f   69.004   8.2867   49.059   11.166 6.399330 16.57347 
1 1 1   11    2   23 o   99.301   5.5673   99.382   11.051 -3.166138 11.13454 
1 1 1   11    2   24 o   88.995   6.2192   80.103   10.949 17.49126 12.43843 
1 1 1   11    2   25 o   32.795   9.7339   0.0275   11.338 -8.713316 19.46780 
1 1 1   11    2   27 o   97.745   6.2908   97.674   12.294 3.113785 12.58166 
1 1 1   11    2   28 o  111.061   5.1288  124.708   11.392 -0.2541809 10.25767 
1 1 1   11    2   29 o   37.347   15.068   8.1355   17.374      ?      ? 
1 1 1   11    2   31 o   46.526   10.773   22.402   11.768 -9.197430 21.54676 
1 1 1   11    2   32 o   76.771   7.9154   60.444   12.150 2.395607 15.83080 
1 1 1   11    2   33 o   63.224   9.8250   43.443   12.123 11.07396 19.64997 
1 1 1   11    2   34 o   36.172   10.462   6.5219   12.040 -1.372940 20.92311 
1 1 1   11    2   35 o   50.410   11.062   27.504   12.367 5.645676 22.12360 
1 1 1   11    2   36 o   73.052   8.7702   56.218   12.438 -13.13938 17.54039 
1 1 1   11    2   37 o   39.897   10.205   17.649   11.217 12.02085 20.41042 
1 1 1   11    3    3 f  531.885   7.5989  2833.05   80.835      ?      ? 
1 1 1   11    3    4 o  687.334   6.7816  4734.47   93.217 -5.031677 13.56322 
1 1 1   11    3    5 o  283.876   3.7721  804.716   21.392 17.31378 7.544243 
1 1 1   11    3    6 o  356.024   4.0842  1267.40   29.068 12.82828 8.168433 
1 1 1   11    3    7 o  418.547   4.5340  1740.12   37.775 32.44452 9.068060 
1 1 1   11    3    8 f  567.184   5.7736  3114.20   63.869 -82.73865 11.54725 
1 1 1   11    3    9 o  290.260   4.1655  836.866   24.088 -26.40433 8.330973 
1 1 1   11    3   10 o  699.987   6.9511  4911.06   97.307 -4.310059 13.90224 
1 1 1   11    3   11 o  329.212   4.2590  1084.75   28.028 -2.586517 8.518059 
1 1 1   11    3   12 o  303.144   4.2270  919.481   25.592 -3.524811 8.453926 
1 1 1   11    3   13 o  172.325   4.9189  308.583   15.323 15.98189 9.837708 
1 1 1   11    3   14 o   43.338   10.705   14.956   12.111 -14.93497 21.41004 
1 1 1   11    3   15 o  178.388   3.6641  318.466   13.066 -7.827438 7.328199 
1 1 1   11    3   16 o  184.671   3.6022  341.524   13.294 9.389282 7.204355 
1 1 1   11    3   17 o  184.685   3.6199  341.573   13.371 0.7506561 7.239857 
1 1 1   11    3   18 o   72.095   8.7883   53.871   12.198 -17.55560 17.57667 
1 1 1   11    3   19 o  138.407   4.4777  192.384   12.372 7.626282 8.955382 
1 1 1   11    3   21 o  179.390   3.4910  322.603   12.525 0.3706360E-01 6.982024 
1 1 1   11    3   22 o   48.001   10.240   23.357   10.946 -12.07973 20.47954 
1 1 1   11    3   23 o   60.632   9.1911   39.153   10.839 -11.38562 18.38212 
1 1 1   11    3   24 o  112.918   4.8427  128.471   10.929 -3.033394 9.685489 
1 1 1   11    3   27 o   37.956   10.144   7.9291   11.694 -16.33671 20.28829 
1 1 1   11    3   28 o   93.247   6.2763   88.705   11.593 15.91543 12.55266 
1 1 1   11    3   30 o  125.008   5.3490  157.776   13.252 -23.53438 10.69810 
1 1 1   11    3   31 o   77.517   7.6711   62.315   11.879 2.951698 15.34214 
1 1 1   11    3   32 o   66.884   9.2749   47.967   11.953 -3.366402 18.54983 
1 1 1   11    3   33 o   29.441   9.4413  -8.3092   12.047 0.6521225E-02 18.88253 
1 1 1   11    3   34 o   34.163   10.182   2.5938   11.980 4.625113 20.36412 
1 1 1   11    3   35 o   53.904   10.875   32.128   12.329 -3.881954 21.74937 
1 1 1   11    3   36 o   74.812   8.4278   57.993   12.610 0.5669174 16.85567 
1 1 1   11    3   37 o   28.413   13.128   6.5366   17.553      ?      ? 
1 1 1   11    4    3 o  142.129   6.5809  202.222   18.707      ?      ? 
1 1 1   11    4    4 o  148.124   4.5354  220.200   13.322 24.56741 9.070799 
1 1 1   11    4    5 o  326.775   3.8248  1068.59   24.997 1.768127 7.649614 
1 1 1   11    4    6 o  350.490   3.9939  1228.18   27.982 12.04221 7.987798 
1 1 1   11    4    7 o  275.115   3.8951  745.856   21.262 43.63528 7.790226 
1 1 1   11    4    8 o  203.054   4.4150  412.767   17.927 1.927689 8.830021 
1 1 1   11    4    9 o  304.779   4.0939  926.716   24.915 20.19678 8.187753 
1 1 1   11    4   10 o  472.606   5.0118  2227.10   47.223 -23.90317 10.02370 
1 1 1   11    4   11 o  323.945   4.2438  1048.67   27.447 -9.906097 8.487631 
1 1 1   11    4   12 o  143.896   6.2057  206.707   17.815 -8.364075 12.41146 
1 1 1   11    4   13 o  169.089   4.8795  285.346   15.036 -1.344208 9.759048 
1 1 1   11    4   14 o  140.771   4.3885  198.447   12.352 0.4247742 8.776949 
1 1 1   11    4   15 o  176.991   3.6298  313.514   12.847 4.320267 7.259651 
1 1 1   11    4   16 o  202.081   3.3602  408.709   13.577 6.677216 6.720487 
1 1 1   11    4   17 f  246.342   3.0837  607.552   15.191 -3.124908 6.167452 
1 1 1   11    4   18 o  178.835   3.6307  320.332   12.986 -0.3186035 7.261488 
1 1 1   11    4   19 o  204.165   3.2950  417.338   13.453 -1.986023 6.589952 
1 1 1   11    4   20 o  129.970   4.6264  169.583   12.020 4.332993 9.252807 
1 1 1   11    4   21 o  194.281   3.2690  378.184   12.699 5.930466 6.537989 
1 1 1   11    4   22 o   33.834   9.7725   3.2725   10.780 -7.329271 19.54491 
1 1 1   11    4   23 o  135.527   4.1241  184.550   11.174 -2.844879 8.248301 
1 1 1   11    4   24 o  103.997   5.1127  108.950   10.629 4.680450 10.22536 
1 1 1   11    4   25 o   36.811   14.608   8.3675   16.006      ?      ? 
1 1 1   11    4   27 o   81.393   6.8528   67.674   11.135 -5.268417 13.70568 
1 1 1   11    4   28 o   77.949   7.2980   62.384   11.291 -11.17094 14.59608 
1 1 1   11    4   29 o  121.301   5.3811  147.837   13.038 -6.873215 10.76218 
1 1 1   11    4   30 o   36.051   10.500   3.6189   12.554 -10.25001 20.99943 
1 1 1   11    4   31 o   72.958   8.0948   55.043   11.789 -5.764740 16.18962 
1 1 1   11    4   32 o   22.211   7.7098 -32.8513   11.848 -1.159494 15.41962 
1 1 1   11    4   33 o   33.986   10.151   0.7918   12.190 8.754313 20.30190 
1 1 1   11    4   34 o   39.722   10.606   11.980   12.010 -10.90593 21.21278 
1 1 1   11    4   35 o   94.804   6.7879   92.544   12.846 6.850632 13.57583 
1 1 1   11    4   36 o   78.247   7.9774   63.245   12.477 1.679237 15.95483 
1 1 1   11    5    3 f  259.905   5.1368  675.940   26.702      ?      ? 
1 1 1   11    5    4 o  338.045   3.8543  1136.98   25.959 -21.49380 7.708555 
1 1 1   11    5    5 o  261.493   3.6110  684.216   18.882 -0.2549133 7.222075 
1 1 1   11    5    6 f  233.965   3.7723  546.888   17.632 -7.682648 7.544680 
1 1 1   11    5    7 o  224.009   4.0478  502.007   18.128 -3.152267 8.095632 
1 1 1   11    5    8 o  427.388   4.6199  1796.38   39.026 -47.40891 9.239855 
1 1 1   11    5    9 o  229.895   4.1093  528.631   18.887 -8.638290 8.218532 
1 1 1   11    5   10 o  167.022   5.1103  279.183   17.059 -3.550827 10.22053 
1 1 1   11    5   11 o  147.021   5.7766  216.414   16.976 -6.477493 11.55324 
1 1 1   11    5   12 o  320.039   4.2453  1024.77   27.163 11.98926 8.490573 
1 1 1   11    5   13 o   36.643   11.182  -1.6613   13.940 -8.460854 22.36365 
1 1 1   11    5   14 o  136.968   5.8415  188.850   14.555 1.435944 11.68303 
1 1 1   11    5   15 o  315.039   2.9925  993.258   18.854 -2.920349 5.984918 
1 1 1   11    5   16 o  247.401   3.1141  612.669   15.407 -4.884155 6.228253 
1 1 1   11    5   17 o  138.466   4.5222  192.711   12.478 -13.01329 9.044435 
1 1 1   11    5   18 o  191.085   3.4189  365.637   13.063 5.716934 6.837845 
1 1 1   11    5   19 o  191.406   4.7937  366.905   18.351      ?      ? 
1 1 1   11    5   20 o  111.023   5.2071  123.933   11.541 8.493340 10.41425 
1 1 1   11    5   21 o  163.951   3.6277  269.438   11.893 4.229324 7.255446 
1 1 1   11    5   22 o  165.365   3.5879  274.423   11.858 -4.745193 7.175826 
1 1 1   11    5   23 o   45.936   10.036   20.759   10.760 16.53873 20.07207 
1 1 1   11    5   25 o   30.206   9.4071  -5.6836   11.449 -6.907593 18.81426 
1 1 1   11    5   26 o  147.766   5.7896  218.957   17.110      ?      ? 
1 1 1   11    5   27 o   65.251   8.6131   45.667   10.779 29.16098 17.22617 
1 1 1   11    5   28 o  154.911   3.7871  241.607   11.730 -4.886398 7.574244 
1 1 1   11    5   30 o  106.816   5.9004  114.964   12.485 -20.81262 11.80070 
1 1 1   11    5   31 o   50.400   10.893   27.255   11.981 -0.9398460 21.78645 
1 1 1   11    5   32 o   25.736   8.6355 -19.0772   12.050 -1.629629 17.27098 
1 1 1   11    5   33 o   68.264   9.1726   50.162   12.185 17.03968 18.34520 
1 1 1   11    5   34 f   42.417   10.547   15.139   12.071 17.82038 21.09309 
1 1 1   11    5   35 o   45.491   11.259   20.772   12.670 0.2672997 22.51875 
1 1 1   11    5   36 o   87.191   7.0883   78.162   12.340 3.980316 14.17660 
1 1 1   11    6    2 o  404.122   6.2293  1634.70   50.348      ?      ? 
1 1 1   11    6    3 o  436.777   6.5130  1909.75   56.895      ?      ? 
1 1 1   11    6    4 f  494.125   5.0606  2371.73   48.890 -67.19678 10.12128 
1 1 1   11    6    5 o  327.976   3.9034  1076.45   25.587 -0.5564880 7.806815 
1 1 1   11    6    6 o  125.874   5.8492  160.092   14.591 11.29655 11.69838 
1 1 1   11    6    7 o  365.008   4.1952  1326.23   30.510 -21.74112 8.390447 
1 1 1   11    6    8 f  252.627   4.0383  606.596   19.884 -65.58560 8.076597 
1 1 1   11    6    9 o  277.224   4.0396  768.421   22.373 -6.061310 8.079171 
1 1 1   11    6   10 o  407.090   4.5212  1656.36   36.750 -12.93356 9.042307 
1 1 1   11    6   11 o  179.231   5.0668  324.804   17.938 31.29886 10.13361 
1 1 1   11    6   12 o  277.943   4.3092  754.420   23.627 60.81108 8.618320 
1 1 1   11    6   13 o  325.266   3.7145  1047.88   22.510 -9.240234 7.429013 
1 1 1   11    6   14 o  116.576   6.5963  137.149   14.220 1.850464 13.19261 
1 1 1   11    6   15 o  340.674   3.0347  1161.53   20.674 1.052673 6.069324 
1 1 1   11    6   16 o  422.830   3.3383  1789.53   28.227 -6.726685 6.676569 
1 1 1   11    6   17 o  343.867   3.0552  1183.79   21.011 -1.040619 6.110490 
1 1 1   11    6   18 f  234.507   3.0956  550.358   14.516 5.761169 6.191128 
1 1 1   11    6   20 o  175.339   3.4624  308.264   12.138 3.736130 6.924702 
1 1 1   11    6   21 o   30.179   9.3438  -3.6106   10.817 -3.191925 18.68762 
1 1 1   11    6   22 o  165.703   3.5580  275.387   11.791 1.076309 7.115939 
1 1 1   11    6   23 o  110.667   4.9788  123.857   10.956 -13.50280 9.957656 
1 1 1   11    6   24 o  279.189   4.0575  781.478   22.656      ?      ? 
1 1 1   11    6   25 o  182.771   3.5096  335.104   12.788 -1.671387 7.019173 
1 1 1   11    6   26 o   31.279   9.6319  -2.0293   11.246 0.9367962 19.26387 
1 1 1   11    6   27 o   43.669   10.383   18.854   10.725 2.774437 20.76689 
1 1 1   11    6   28 o   35.473   10.163   7.4068   11.216 1.480328 20.32557 
1 1 1   11    6   30 o   62.027   9.4857   41.608   11.746 -21.15149 18.97146 
1 1 1   11    6   31 o   98.462   6.2086   99.616   11.996 -22.67811 12.41711 
1 1 1   11    6   32 f   29.551   9.4272  -7.1379   11.919 2.251894 18.85431 
1 1 1   11    6   33 o   32.541   9.8794  -1.6877   12.021 -8.577757 19.75876 
1 1 1   11    6   34 o  111.122   5.6797  127.259   12.522 -12.17300 11.35948 
1 1 1   11    6   35 o   34.571   10.371   2.2534   12.543 -3.835381 20.74244 
1 1 1   11    6   36 o   49.380   10.716   25.910   12.001 13.22338 21.43163 
1 1 1   11    7    2 o  343.929   5.7482  1183.86   39.539      ?      ? 
1 1 1   11    7    3 o  419.544   6.4313  1762.03   53.964      ?      ? 
1 1 1   11    7    4 f  430.620   4.5911  1855.42   39.509 -5.060699 9.182284 
1 1 1   11    7    5 o  205.760   4.1088  420.464   16.757 -11.21461 8.217581 
1 1 1   11    7    6 o  421.494   4.5696  1720.20   37.768 69.45175 9.139271 
1 1 1   11    7    7 o  454.629   4.7887  2033.62   42.983 -46.71808 9.577458 
1 1 1   11    7    8 o  192.846   4.4797  373.404   17.128 4.552277 8.959299 
1 1 1   11    7    9 f  291.855   3.9901  853.024   23.246 1.728516 7.980264 
1 1 1   11    7   10 o  208.451   4.4499  436.990   18.449 10.59824 8.899806 
1 1 1   11    7   11 o  276.710   4.2573  745.386   23.100 76.46851 8.514684 
1 1 1   11    7   12 o  232.185   4.4780  540.972   20.750 9.622253 8.956026 
1 1 1   11    7   13 o  259.204   3.7697  678.848   18.021 6.371552 7.539356 
1 1 1   11    7   14 o  211.176   4.0598  436.214   15.822 -12.39140 8.119638 
1 1 1   11    7   15 o  218.722   3.1957  478.705   13.977 4.389374 6.391369 
1 1 1   11    7   16 o   58.144   10.088   35.239   11.852 17.11495 20.17689 
1 1 1   11    7   17 o  138.068   4.4323  191.067   12.226 0.3069000 8.864689 
1 1 1   11    7   18 o   73.594   8.2304   55.981   11.698 -10.23478 16.46085 
1 1 1   11    7   19 o   42.823   10.504   16.144   11.430 -10.98914 21.00800 
1 1 1   11    7   20 o  212.762   3.0541  453.646   12.990 -2.144501 6.108260 
1 1 1   11    7   21 o   53.603   9.8254   30.562   10.812 -12.75389 19.65076 
1 1 1   11    7   22 o  112.566   4.8360  127.569   10.872 -2.293839 9.671902 
1 1 1   11    7   23 o   96.708   5.4687   94.157   10.564 6.756332 10.93743 
1 1 1   11    7   24 o  113.833   4.9129  130.242   11.162 8.286484 9.825776 
1 1 1   11    7   25 o  345.112   3.0370  1192.58   20.950 -2.008240 6.074036 
1 1 1   11    7   26 o   54.731   13.378   32.636   14.540      ?      ? 
1 1 1   11    7   27 o   65.161   8.6489   45.047   10.855 3.441998 17.29770 
1 1 1   11    7   28 o  175.208   5.2497  310.091   18.396      ?      ? 
1 1 1   11    7   29 o   76.577   8.5525   62.779   12.286 25.73826 17.10499 
1 1 1   11    7   30 o   29.013   9.1391 -10.3609   11.563 -11.34584 18.27812 
1 1 1   11    7   31 o  101.080   5.9786  103.655   12.075 -5.303185 11.95727 
1 1 1   11    7   32 o   40.358   10.661   13.093   11.897 9.179153 21.32222 
1 1 1   11    7   33 o   58.250   10.177   37.229   11.973 15.82353 20.35316 
1 1 1   11    7   34 o   33.049   9.8143  -1.7705   12.083 -13.00897 19.62864 
1 1 1   11    7   35 o   75.642   8.7125   61.152   12.604 20.84171 17.42509 
1 1 1   11    7   36 o   51.870   10.465   29.778   11.695 12.91594 20.93004 
1 1 1   11    8    2 o  641.543   9.0853  4124.29  116.573      ?      ? 
1 1 1   11    8    3 o  604.229   8.5991  3657.58  103.917      ?      ? 
1 1 1   11    8    4 o  270.778   3.8103  709.908   20.197 -41.80588 7.620527 
1 1 1   11    8    5 o  259.324   3.8457  675.904   19.858 20.96275 7.691369 
1 1 1   11    8    6 o  234.863   3.8895  546.203   18.086 -16.57718 7.778929 
1 1 1   11    8    7 o  396.541   4.3871  1574.58   34.781 3.830048 8.774185 
1 1 1   11    8    8 o  377.811   4.2966  1429.48   32.436 1.626862 8.593246 
1 1 1   11    8    9 o  295.355   4.0022  871.791   23.547 -5.365326 8.004389 
1 1 1   11    8   10 o  251.556   4.1276  626.122   20.555 -19.44733 8.255198 
1 1 1   11    8   11 o   96.827   9.6315   93.286   16.981 -51.24634 19.26297 
1 1 1   11    8   12 o  130.190   6.8690  171.500   17.668 7.850853 13.73798 
1 1 1   11    8   13 o   57.770   11.886   34.703   13.723 2.424244 23.77165 
1 1 1   11    8   14 o  220.381   4.0462  467.379   16.174 -19.89812 8.092454 
1 1 1   11    8   15 o  192.816   4.4835  373.439   15.665 1.219849 8.966922 
1 1 1   11    8   16 f  158.491   3.9318  251.249   12.451 9.495438 7.863636 
1 1 1   11    8   17 o  221.804   3.1366  492.579   13.902 -12.06538 6.273108 
1 1 1   11    8   18 o  196.723   4.7784  387.610   18.800      ?      ? 
1 1 1   11    8   19 o  185.962   3.3862  347.046   12.567 -4.221756 6.772366 
1 1 1   11    8   20 o  264.742   2.8723  702.095   15.201 -1.436188 5.744629 
1 1 1   11    8   21 o   46.966   10.116   22.607   10.641 -10.46983 20.23108 
1 1 1   11    8   22 o  139.655   3.8823  195.074   10.819 8.156586 7.764622 
1 1 1   11    8   23 o   88.651   5.8423   79.571   10.295 -2.182480 11.68457 
1 1 1   11    8   24 o  190.319   3.3495  364.272   12.681 -2.653366 6.699024 
1 1 1   11    8   25 o  109.583   6.9606  120.502   15.255      ?      ? 
1 1 1   11    8   26 o   46.661   10.217   21.827   10.498 10.47446 20.43380 
1 1 1   11    8   27 o   63.038   8.8939   41.988   10.783 7.354557 17.78785 
1 1 1   11    8   28 o  137.938   4.5445  191.259   12.527 -7.186920 9.089078 
1 1 1   11    8   30 o   61.868   9.4436   41.703   11.348 -0.1892509 18.88717 
1 1 1   11    8   31 o   64.439   9.2364   45.179   11.733 30.71423 18.47276 
1 1 1   11    8   32 o   36.135   10.361   5.9311   11.934 7.376717 20.72216 
1 1 1   11    8   33 o  119.919   5.0857  146.020   12.187 7.191437 10.17147 
1 1 1   11    8   34 o   52.697   10.750   30.453   11.934 3.211113 21.50033 
1 1 1   11    8   35 o   73.473   8.4493   55.951   12.400 0.4122467 16.89850 
1 1 1   11    8   36 o   54.912   11.739   34.665   15.859 -32.71613 23.47803 
1 1 1   11    9    1 o  372.761   6.2346  1390.79   46.480      ?      ? 
1 1 1   11    9    2 o  383.127   6.2139  1469.22   47.614      ?      ? 
1 1 1   11    9    3 o  490.092   7.2208  2404.94   70.777      ?      ? 
1 1 1   11    9    4 o  273.046   3.8223  748.473   20.771 10.09747 7.644656 
1 1 1   11    9    5 o  120.878   5.9253  146.865   14.042 2.014046 11.85051 
1 1 1   11    9    6 o  197.721   4.1617  387.303   16.268 -12.86380 8.323400 
1 1 1   11    9    7 o  308.943   3.9567  955.614   24.376 0.5423584 7.913442 
1 1 1   11    9    8 o  204.705   4.3134  419.292   17.503 -0.8973389 8.626774 
1 1 1   11    9    9 o  521.279   5.3636  2715.78   55.792 -17.47400 10.72714 
1 1 1   11    9   10 o  418.107   4.6347  1749.87   38.701 -3.930511 9.269420 
1 1 1   11    9   11 o  255.948   4.2951  653.960   21.821 -6.376328 8.590203 
1 1 1   11    9   12 o  100.513   8.6708  101.915   17.264 1.824600 17.34153 
1 1 1   11    9   13 o  101.716   7.8284  109.634   13.896 12.05592 15.65684 
1 1 1   11    9   14 o  353.038   3.8096  1236.17   24.783 -8.517242 7.619241 
1 1 1   11    9   15 o  249.100   3.8689  623.518   17.632 2.096970 7.737775 
1 1 1   11    9   16 o  147.242   4.0947  217.443   12.009 17.17833 8.189309 
1 1 1   11    9   17 f  128.345   4.5267  165.624   11.583 -10.03918 9.053473 
1 1 1   11    9   18 o  139.514   4.1887  195.326   11.681 -3.196060 8.377499 
1 1 1   11    9   19 o  164.106   3.5712  270.001   11.720 -2.805847 7.142387 
1 1 1   11    9   20 o  167.493   3.4783  281.201   11.651 -1.412949 6.956630 
1 1 1   11    9   21 o  197.146   3.0803  389.361   12.142 -5.303848 6.160625 
1 1 1   11    9   22 o   92.745   5.5454   86.821   10.260 8.605347 11.09089 
1 1 1   11    9   23 o   56.102   13.476   33.692   14.954      ?      ? 
1 1 1   11    9   25 o  122.803   4.7229  152.803   11.459 -3.410667 9.445774 
1 1 1   11    9   26 o  136.059   4.0495  185.693   10.908 3.193298 8.098965 
1 1 1   11    9   27 f  189.421   3.3207  360.746   12.542 6.447754 6.641362 
1 1 1   11    9   28 o  201.765   4.9190  408.030   19.850      ?      ? 
1 1 1   11    9   29 o   35.239   10.130   5.9403   11.386 -4.576752 20.25910 
1 1 1   11    9   30 o   95.773   5.9783   92.768   11.398 5.164215 11.95653 
1 1 1   11    9   31 o   58.609   9.8337   39.124   11.501 -15.52834 19.66738 
1 1 1   11    9   32 o   31.739   9.7590  -0.9009   11.475 1.686115 19.51802 
1 1 1   11    9   33 o   58.305   9.9075   37.143   11.570 17.15704 19.81498 
1 1 1   11    9   34 o   35.493   10.393   5.3296   12.049 0.6717300E-01 20.78519 
1 1 1   11    9   35 o   85.509   7.1033   74.936   12.140 3.566078 14.20657 
1 1 1   11   10    1 f  218.536   6.0416  478.079   26.406      ?      ? 
1 1 1   11   10    2 o  475.299   7.0762  2262.43   67.266      ?      ? 
1 1 1   11   10    3 o  161.005   7.2335  259.655   23.293      ?      ? 
1 1 1   11   10    4 o  145.536   5.0516  212.701   14.373 1.795212 10.10329 
1 1 1   11   10    5 o  505.750   5.1775  2549.51   52.136 -25.79407 10.35494 
1 1 1   11   10    6 o  403.923   4.4304  1629.73   35.698 -12.79376 8.860780 
1 1 1   11   10    7 o  513.785   5.2807  2641.42   54.203 -11.59686 10.56140 
1 1 1   11   10    8 o  278.234   4.0005  776.044   22.218 7.475433 8.000901 
1 1 1   11   10    9 o  310.132   4.1240  963.828   25.510 3.790680 8.248074 
1 1 1   11   10   10 o  232.848   4.3701  542.611   20.122 -1.090439 8.740236 
1 1 1   11   10   11 o  365.554   4.3655  1332.42   31.740 -14.89655 8.731009 
1 1 1   11   10   12 o  187.729   5.0037  349.530   18.606 -13.46242 10.00743 
1 1 1   11   10   13 o  333.233   3.7558  1097.58   22.874 -10.38293 7.511507 
1 1 1   11   10   14 o  269.885   3.7641  723.232   18.510 -5.466400 7.528197 
1 1 1   11   10   15 o  150.708   5.3601  237.070   14.201 13.41750 10.72026 
1 1 1   11   10   16 o  147.554   5.2653  201.069   14.127 -27.27332 10.53065 
1 1 1   11   10   17 o  202.673   4.5077  411.387   18.272      ?      ? 
1 1 1   11   10   18 o  179.124   3.4168  321.624   12.239 -2.578445 6.833531 
1 1 1   11   10   19 o  253.526   2.8579  643.748   14.489 5.769104 5.715741 
1 1 1   11   10   20 o   63.036   8.5774   41.899   10.472 -26.97884 17.15471 
1 1 1   11   10   21 o  149.333   3.6599  223.618   10.910 -12.70883 7.319756 
1 1 1   11   10   22 o   97.748   5.2163   96.327   10.196 -0.9239731 10.43258 
1 1 1   11   10   23 o   34.805   14.038   6.2948   15.075      ?      ? 
1 1 1   11   10   25 o   32.113   9.4542   2.7739   10.155 -3.837069 18.90833 
1 1 1   11   10   26 o   32.369   9.4950   2.2517   10.253 7.410255 18.99006 
1 1 1   11   10   27 o  103.976   5.6062  109.972   11.628 6.889824 11.21249 
1 1 1   11   10   29 o   52.236   10.234   29.727   11.050 5.593582 20.46850 
1 1 1   11   10   30 o  134.602   4.3199  181.145   11.582 11.21268 8.639767 
1 1 1   11   10   31 o   43.980   10.672   18.058   11.449 12.37337 21.34438 
1 1 1   11   10   32 o   68.497   8.9197   52.325   11.482 -17.09138 17.83932 
1 1 1   11   10   33 o   58.984   10.063   39.069   11.667 -6.027451 20.12570 
1 1 1   11   10   34 o   90.087   6.8817   82.925   12.352 8.881058 13.76333 
1 1 1   11   10   35 o   54.777   10.322   32.794   11.644 11.46038 20.64416 
1 1 1   11   11    1 f  282.877   5.7118  801.096   32.315      ?      ? 
1 1 1   11   11    2 o  477.436   7.1046  2283.38   67.840      ?      ? 
1 1 1   11   11    3 o  290.655   5.6814  845.714   33.026      ?      ? 
1 1 1   11   11    4 o  317.514   3.9322  997.378   24.689 -23.39856 7.864428 
1 1 1   11   11    5 o  380.568   4.2622  1417.62   31.894 -44.38205 8.524448 
1 1 1   11   11    6 o  276.688   3.9491  761.235   21.724 42.47784 7.898232 
1 1 1   11   11    7 o  155.994   5.2053  242.664   16.131 -5.946518 10.41057 
1 1 1   11   11    8 o  199.537   4.4677  400.555   17.709 8.963943 8.935430 
1 1 1   11   11    9 o  398.897   4.4626  1590.31   35.493 -10.49612 8.925295 
1 1 1   11   11   10 o  259.881   4.1451  673.768   21.353 -7.253754 8.290250 
1 1 1   11   11   11 o  265.686   4.1929  705.698   22.092 -3.803345 8.385800 
1 1 1   11   11   12 o  263.160   4.2637  692.336   22.255 -4.262543 8.527387 
1 1 1   11   11   13 o  426.519   4.1348  1818.07   32.741 -2.618439 8.269588 
1 1 1   11   11   14 o  255.020   3.8240  645.724   17.598 -5.029633 7.647967 
1 1 1   11   11   15 o  144.124   5.5332  206.472   14.149 -2.777557 11.06631 
1 1 1   11   11   16 o  204.203   4.1943  419.174   15.397 1.524857 8.388602 
1 1 1   11   11   17 o  177.638   3.4377  316.283   12.212 0.9650269 6.875464 
1 1 1   11   11   18 f  435.418   3.3366  1899.82   29.056 3.627716 6.673293 
1 1 1   11   11   19 o   94.882   5.5449   90.634   10.515 -4.515160 11.08980 
1 1 1   11   11   20 f  119.939   4.3714  144.629   10.469 -8.700142 8.742769 
1 1 1   11   11   21 o  166.101   3.3037  276.589   10.970 3.928360 6.607373 
1 1 1   11   11   22 o  110.507   6.8021  123.108   15.034      ?      ? 
1 1 1   11   11   23 o  151.515   5.4981  230.103   16.661      ?      ? 
1 1 1   11   11   24 o  159.883   5.0629  256.937   16.190      ?      ? 
1 1 1   11   11   25 o   59.433   8.5267   37.180   9.9516 15.19638 17.05347 
1 1 1   11   11   26 o  117.526   4.6940  139.545   11.014 9.329559 9.387949 
1 1 1   11   11   28 o   48.432   10.320   24.829   11.283 -14.76951 20.63960 
1 1 1   11   11   29 o   39.003   10.138   12.201   10.738 10.74151 20.27545 
1 1 1   11   11   30 o   50.692   9.8939   28.039   11.118 -20.98904 19.78771 
1 1 1   11   11   31 o   32.025   9.6315  -1.2415   11.477 -9.128262 19.26297 
1 1 1   11   11   32 o   44.433   10.698   20.185   11.395 -1.612267 21.39595 
1 1 1   11   11   33 o   44.372   9.9441   16.430   11.539 26.79595 19.88830 
1 1 1   11   11   34 o   77.447   7.8853   61.845   12.208 2.924911 15.77067 
1 1 1   11   11   35 o   79.560   10.012   68.572   15.215 -25.28521 20.02472 
1 1 1   11   12    0 o  445.183   4.7522  1983.44   42.298 12.85623 9.504405 
1 1 1   11   12    1 o  507.660   7.4383  2581.70   75.523      ?      ? 
1 1 1   11   12    2 o  332.633   5.8646  1107.66   39.015      ?      ? 
1 1 1   11   12    3 o  387.484   6.2461  1503.34   48.405      ?      ? 
1 1 1   11   12    4 o  233.576   3.9945  548.451   18.486 7.784424 7.988940 
1 1 1   11   12    5 o  297.292   3.9435  886.239   23.380 7.143921 7.886969 
1 1 1   11   12    6 o  543.680   5.5351  2950.73   59.975 -24.98291 11.07020 
1 1 1   11   12    7 o  316.435   4.0154  1001.72   25.321 -3.223175 8.030884 
1 1 1   11   12    8 o  267.257   3.9859  709.212   21.095 -15.18109 7.971772 
1 1 1   11   12    9 o  232.135   4.1675  540.700   19.097 2.764450 8.334941 
1 1 1   11   12   10 o  244.441   4.1832  599.874   20.191 3.626770 8.366375 
1 1 1   11   12   11 o  205.046   4.5904  416.952   18.491 -10.92053 9.180837 
1 1 1   11   12   12 o  297.813   4.1754  887.277   24.658 -3.525604 8.350833 
1 1 1   11   12   13 o  308.637   3.7173  945.240   20.708 -6.446808 7.434598 
1 1 1   11   12   14 o   33.075   10.609 -11.4946   13.117 -14.76060 21.21732 
1 1 1   11   12   15 o  161.158   8.4041  260.959   27.088      ?      ? 
1 1 1   11   12   16 o  178.301   4.4963  319.773   14.317 1.152939 8.992631 
1 1 1   11   12   17 o  110.813   6.5297  122.816   12.979 -1.637749 13.05950 
1 1 1   11   12   18 f   46.967   9.8922   22.721   10.129 -8.219429 19.78449 
1 1 1   11   12   19 o  216.726   2.8583  470.640   12.389 -1.687622 5.716691 
1 1 1   11   12   20 o   40.005   9.7753   14.263   9.9270 -11.08617 19.55057 
1 1 1   11   12   21 o   30.542   9.0807  -0.9723   9.9751 -9.370153 18.16138 
1 1 1   11   12   22 o   29.092   8.7041 -10.2868   10.514 -17.24843 17.40820 
1 1 1   11   12   23 o  194.337   4.6443  378.258   18.051      ?      ? 
1 1 1   11   12   24 o   26.382   8.4659  -9.7699   10.013 -6.823425 16.93177 
1 1 1   11   12   25 o   41.947   8.8233   14.455   10.071 -29.30482 17.64662 
1 1 1   11   12   27 o   24.183   11.621 -23.1213   16.354      ?      ? 
1 1 1   11   12   28 o   95.209   5.7513   92.241   10.929 8.593987 11.50260 
1 1 1   11   12   29 o  102.950   5.3896  107.163   11.089 1.255035 10.77912 
1 1 1   11   12   30 o   49.448   10.260   26.420   11.446 -17.50316 20.51963 
1 1 1   11   12   31 o   69.665   8.7073   51.431   11.676 21.75892 17.41467 
1 1 1   11   12   32 o   77.984   7.5220   62.954   11.696 4.492653 15.04408 
1 1 1   11   12   33 o  117.880   5.1651  141.460   12.156 -1.344223 10.33020 
1 1 1   11   12   34 f   79.309   7.3526   64.748   11.654 1.236107 14.70521 
1 1 1   11   13    0 o  379.729   4.2751  1443.62   32.458 -2.870117 8.550272 
1 1 1   11   13    1 o  372.101   4.2366  1384.91   31.499 -8.915375 8.473294 
1 1 1   11   13    2 o  309.308   5.8038  957.940   35.903      ?      ? 
1 1 1   11   13    3 f  284.100   5.7617  808.171   32.738      ?      ? 
1 1 1   11   13    4 o  269.866   3.8822  729.860   20.797 2.206757 7.764430 
1 1 1   11   13    5 o  473.314   4.9300  2238.89   46.536 -15.57614 9.859988 
1 1 1   11   13    6 o  231.525   4.0390  542.070   18.500 20.54137 8.078013 
1 1 1   11   13    7 o  167.647   4.7523  277.959   15.631 -10.66631 9.504659 
1 1 1   11   13    8 o  201.865   4.3204  409.543   17.153 3.788025 8.640892 
1 1 1   11   13    9 o  270.652   4.0033  735.368   21.431 4.296631 8.006627 
1 1 1   11   13   10 o  133.031   6.1397  181.229   15.622 9.902954 12.27935 
1 1 1   11   13   11 o  240.714   4.1897  579.853   19.854 -1.719330 8.379449 
1 1 1   11   13   12 o   47.813   12.092   18.852   15.677 13.64971 24.18467 
1 1 1   11   13   13 o  188.572   4.2604  342.024   14.251 -15.98476 8.520793 
1 1 1   11   13   14 o  202.883   4.1560  418.638   14.975 6.782867 8.311999 
1 1 1   11   13   15 o  109.778   6.9746  128.231   12.993 12.37680 13.94921 
1 1 1   11   13   16 f  226.077   3.7838  508.722   15.356 -3.546005 7.567680 
1 1 1   11   13   17 o   80.558   8.9974   69.496   12.176 8.271820 17.99482 
1 1 1   11   13   18 o  101.879   6.6561  104.610   12.101 -0.8658600E-01 13.31212 
1 1 1   11   13   19 o  114.711   4.3916  133.057   10.010 -13.50919 8.783124 
1 1 1   11   13   20 o  181.112   3.0591  328.924   11.078 -0.1211090 6.118197 
1 1 1   11   13   21 o  144.136   5.4314  209.053   15.657      ?      ? 
1 1 1   11   13   22 o  184.981   4.5356  342.592   16.780      ?      ? 
1 1 1   11   13   23 o   32.926   9.5407   2.9775   10.548 -9.024078 19.08144 
1 1 1   11   13   24 o   96.682   5.3515   94.555   10.343 1.332191 10.70293 
1 1 1   11   13   25 o   68.129   11.265   48.801   15.350      ?      ? 
1 1 1   11   13   27 o   65.036   8.5457   44.237   10.818 14.77383 17.09134 
1 1 1   11   13   28 f   54.128   9.8450   31.607   10.759 9.346737 19.69010 
1 1 1   11   13   30 o  119.809   4.9787  145.471   11.922 1.750206 9.957321 
1 1 1   11   13   31 o   45.758   10.760   21.818   11.505 -0.9516678 21.52090 
1 1 1   11   13   32 o  158.259   3.9508  252.650   12.451 1.918137 7.901647 
1 1 1   11   13   33 o   49.998   10.782   26.611   11.880 8.841557 21.56312 
1 1 1   11   13   34 o   34.438   10.142   4.6911   11.584 3.369335 20.28340 
1 1 1   11   14    0 o  311.164   3.9314  968.975   24.450 15.76773 7.862787 
1 1 1   11   14    1 o  571.450   5.7568  3271.54   65.739 -13.36987 11.51360 
1 1 1   11   14    2 o  328.676   5.7263  1081.81   37.642      ?      ? 
1 1 1   11   14    3 o  175.549   6.4778  308.745   22.743      ?      ? 
1 1 1   11   14    4 o  110.122   6.3139  123.037   13.573 6.098701 12.62776 
1 1 1   11   14    5 f  271.844   3.7708  741.063   20.423 4.958893 7.541603 
1 1 1   11   14    6 o  532.496   5.4264  2827.97   57.500 -27.54053 10.85281 
1 1 1   11   14    7 o  287.903   3.9112  833.410   22.395 12.46362 7.822429 
1 1 1   11   14    8 f  230.466   4.0539  531.281   18.341 -1.748825 8.107898 
1 1 1   11   14    9 o  166.125   4.9492  278.866   15.914 5.341278 9.898354 
1 1 1   11   14   10 o  149.783   5.4292  226.341   15.817 3.640305 10.85836 
1 1 1   11   14   11 o   55.457   12.185   31.597   15.590 14.43738 24.36945 
1 1 1   11   14   12 o  410.968   4.5658  1693.18   37.484 -0.5267334 9.131556 
1 1 1   11   14   13 f  202.147   4.0810  412.099   14.811 3.020355 8.162076 
1 1 1   11   14   14 o   50.512   11.820   22.472   12.598 -13.21685 23.63940 
1 1 1   11   14   15 o  226.643   3.7394  516.669   15.186 1.852402 7.478890 
1 1 1   11   14   16 o  192.339   3.9711  362.978   13.610 -8.921692 7.942239 
1 1 1   11   14   17 o  119.551   5.7911  146.063   12.091 3.967422 11.58214 
1 1 1   11   14   18 o   90.734   7.7726   88.868   12.002 12.14019 15.54526 
1 1 1   11   14   19 o   86.914   5.6331   76.827   9.7109 -10.75332 11.26621 
1 1 1   11   14   20 o   63.763   7.8948   42.387   9.8140 -6.908474 15.78954 
1 1 1   11   14   21 o   95.813   7.7466   92.194   14.845      ?      ? 
1 1 1   11   14   23 o   55.945   8.7425   34.289   9.8398 -22.01914 17.48498 
1 1 1   11   14   24 o  103.424   4.9115  108.912   10.082 -11.81411 9.822996 
1 1 1   11   14   25 o   98.310   7.4547   97.307   14.658      ?      ? 
1 1 1   11   14   26 o   28.797   9.0543  -5.1270   10.612 -3.738329 18.10851 
1 1 1   11   14   27 o   30.371   9.3059  -1.4159   10.511 5.320438 18.61187 
1 1 1   11   14   28 f   77.536   7.0916   61.375   10.974 -1.599007 14.18325 
1 1 1   11   14   29 o   75.245   7.8249   60.729   11.190 -16.17254 15.64987 
1 1 1   11   14   30 o  119.963   4.8139  145.462   11.529 8.490578 9.627859 
1 1 1   11   14   31 o   36.894   10.356   9.0566   11.514 -3.651447 20.71299 
1 1 1   11   14   32 o  103.274   5.9197  110.923   12.003 -18.28537 11.83944 
1 1 1   11   14   33 o  109.557   7.7552  121.919   16.993      ?      ? 
1 1 1   11   15    0 o  385.472   4.2940  1483.88   33.009 -15.07593 8.587933 
1 1 1   11   15    1 o  245.017   3.9065  601.825   19.110 17.18515 7.813026 
1 1 1   11   15    2 o  205.070   4.1641  423.482   16.985 20.09035 8.328276 
1 1 1   11   15    3 o  148.629   4.8873  221.624   14.323 0.8231506 9.774663 
1 1 1   11   15    4 o  202.003   4.0108  408.976   16.010 0.8433685 8.021509 
1 1 1   11   15    5 o  219.823   3.9208  482.814   17.086 -3.977142 7.841602 
1 1 1   11   15    6 f  196.852   4.1867  390.176   16.257 6.297272 8.373302 
1 1 1   11   15    7 f  158.065   4.8880  256.351   15.056 21.31825 9.775946 
1 1 1   11   15    8 o  223.558   3.9983  502.995   17.654 6.843399 7.996555 
1 1 1   11   15    9 o  157.542   5.2234  253.275   15.780 10.26288 10.44673 
1 1 1   11   15   10 o  211.410   4.3584  447.043   18.042 -2.053802 8.716828 
1 1 1   11   15   11 o  207.144   4.3997  428.194   17.893 -4.779541 8.799498 
1 1 1   11   15   12 o  119.946   6.7458  146.134   15.710 4.649323 13.49165 
1 1 1   11   15   13 o  115.824   6.8547  133.995   15.491 -5.108528 13.70943 
1 1 1   11   15   14 o  197.421   4.0063  390.754   13.996 0.6033325E-01 8.012645 
1 1 1   11   15   15 o  123.553   5.7596  154.442   12.338 1.647842 11.51914 
1 1 1   11   15   16 o  162.014   4.4302  259.686   12.895 -5.243515 8.860357 
1 1 1   11   15   17 o  113.713   6.1329  132.381   12.140 3.692589 12.26587 
1 1 1   11   15   18 o   80.305   9.3467   78.154   11.881 27.45380 18.69334 
1 1 1   11   15   19 o   88.134   8.8719   95.131   12.044 32.24433 17.74382 
1 1 1   11   15   21 o   63.466   11.946   42.203   14.607      ?      ? 
1 1 1   11   15   22 o  144.604   3.5832  210.259   10.355 -2.340866 7.166423 
1 1 1   11   15   23 o  190.566   3.0034  364.470   11.441 0.4791412 6.006842 
1 1 1   11   15   24 o   44.272   9.9351   19.976   10.190 12.17527 19.87017 
1 1 1   11   15   25 o   79.429   6.5485   63.753   10.380 7.468071 13.09693 
1 1 1   11   15   26 o   33.627   9.4995   4.8243   10.253 -9.882502 18.99896 
1 1 1   11   15   27 f   54.369   9.7321   31.975   10.612 4.156895 19.46417 
1 1 1   11   15   28 o   64.471   8.8507   45.246   10.977 -2.801254 17.70133 
1 1 1   11   15   29 o   40.672   10.404   15.364   10.880 -0.8156013 20.80889 
1 1 1   11   15   30 o   50.139   10.350   27.131   11.053 8.282169 20.69994 
1 1 1   11   15   31 o   93.878   6.2235   91.379   11.532 -12.64245 12.44704 
1 1 1   11   15   32 o   46.265   10.012   20.689   11.530 24.06987 20.02371 
1 1 1   11   15   33 o   47.818   10.826   24.771   11.945 9.315338 21.65195 
1 1 1   11   16    0 o  202.578   4.0888  405.839   16.425 -19.38348 8.177667 
1 1 1   11   16    1 f  198.621   4.1244  392.534   16.301 -13.01741 8.248870 
1 1 1   11   16    2 f  140.767   5.2804  197.985   14.795 -5.446960 10.56073 
1 1 1   11   16    3 o  134.160   4.7096  178.291   11.162 -3.252945 9.419261 
1 1 1   11   16    4 o  163.570   4.5045  267.265   14.398 -2.537140 9.009068 
1 1 1   11   16    5 o  101.130   7.0010  105.857   13.577 12.18574 14.00205 
1 1 1   11   16    6 o   41.913   11.308   12.366   13.291 3.805408 22.61506 
1 1 1   11   16    7 o  131.669   5.6029  178.994   14.255 18.20850 11.20578 
1 1 1   11   16    8 o   86.166   9.3189   87.448   13.754 41.57455 18.63788 
1 1 1   11   16    9 o  262.140   3.8540  692.669   20.075 19.36896 7.707945 
1 1 1   11   16   10 o  151.264   5.1249  231.571   15.167 6.438980 10.24975 
1 1 1   11   16   11 o  238.880   4.1062  571.430   19.159 -1.740036 8.212461 
1 1 1   11   16   12 o  226.818   4.1730  515.067   18.461 -2.199493 8.346054 
1 1 1   11   16   13 o  261.072   4.0266  682.575   20.686 -2.222137 8.053278 
1 1 1   11   16   14 o  115.309   6.1580  135.992   12.080 3.735489 12.31600 
1 1 1   11   16   15 o  231.782   3.6823  543.359   15.309 4.644592 7.364587 
1 1 1   11   16   16 o  201.479   3.9512  413.309   14.112 6.451065 7.902439 
1 1 1   11   16   17 o  160.767   4.5299  255.396   12.776 -5.471390 9.059879 
1 1 1   11   16   18 o   62.152   9.1625   55.109   11.803 47.88684 18.32494 
1 1 1   11   16   19 o  205.425   6.4588  423.663   26.536      ?      ? 
1 1 1   11   16   20 o  153.515   4.8412  250.892   13.195 21.86633 9.682356 
1 1 1   11   16   21 o  117.153   4.2460  137.724   9.9283 8.248062 8.491999 
1 1 1   11   16   22 o  164.730   3.2651  272.430   10.753 2.620468 6.530132 
1 1 1   11   16   23 f   70.744   7.0870   52.397   10.025 0.3248444 14.17401 
1 1 1   11   16   24 o  133.579   5.7524  179.023   15.368      ?      ? 
1 1 1   11   16   25 o   79.051   6.8065   65.259   10.540 -15.82528 13.61298 
1 1 1   11   16   26 o   43.967   10.200   19.994   10.416 -3.682453 20.39917 
1 1 1   11   16   27 o   58.117   9.4521   36.130   10.824 14.11863 18.90417 
1 1 1   11   16   28 o   39.618   10.303   13.074   10.803 8.496662 20.60571 
1 1 1   11   16   29 o   33.235   9.7996   2.6935   10.871 7.576164 19.59916 
1 1 1   11   16   30 o   68.771   8.7144   53.315   11.253 -26.20223 17.42871 
1 1 1   11   16   31 o   32.626   9.8464   1.4670   11.355 -0.5991058 19.69273 
1 1 1   11   16   32 o   91.065   6.6233   85.328   11.963 4.538116 13.24662 
1 1 1   11   17    0 o  301.190   3.8202  909.310   22.990 4.548645 7.640475 
1 1 1   11   17    1 o  282.899   3.8115  802.933   21.533 12.27609 7.623021 
1 1 1   11   17    2 o  204.242   4.0927  420.547   16.588 28.05869 8.185405 
1 1 1   11   17    3 o  142.371   4.6710  220.382   11.366 25.01385 9.342068 
1 1 1   11   17    4 o  373.674   4.1455  1400.21   30.946 6.066437 8.290952 
1 1 1   11   17    5 o  373.143   4.1449  1396.02   30.904 5.077545 8.289703 
1 1 1   11   17    6 o  249.691   3.7409  623.205   18.492 -3.658005 7.481701 
1 1 1   11   17    7 o  282.138   3.7843  760.707   20.656 -49.82034 7.568573 
1 1 1   11   17    8 o  155.534   4.7681  225.220   14.285 -50.34261 9.536100 
1 1 1   11   17    9 o  140.551   5.2726  202.486   14.258 11.40186 10.54518 
1 1 1   11   17   10 f  226.474   3.9343  514.698   17.555 0.6003876 7.868609 
1 1 1   11   17   11 o  242.051   3.8590  590.628   18.474 9.358658 7.717955 
1 1 1   11   17   12 o  305.642   3.8869  938.908   23.675 8.364288 7.773723 
1 1 1   11   17   13 f  154.559   4.9611  242.929   14.953 8.725677 9.922153 
1 1 1   11   17   14 f  222.526   3.6552  485.800   14.310 -9.977951 7.310369 
1 1 1   11   17   15 o   82.690   8.9174   77.165   11.733 15.87562 17.83486 
1 1 1   11   17   16 o  222.548   3.6330  484.044   14.313 -12.13626 7.265981 
1 1 1   11   17   17 o  127.383   6.3962  199.378   12.420 47.94946 12.79244 
1 1 1   11   17   18 o  320.614   6.0223  1031.07   38.617      ?      ? 
1 1 1   11   17   19 o  152.054   8.2480  232.715   25.083      ?      ? 
1 1 1   11   17   20 o   60.516   10.721   38.639   11.880 -2.485600 21.44291 
1 1 1   11   17   21 o  117.814   5.9562  139.621   12.239 -1.303398 11.91249 
1 1 1   11   17   22 o   19.906   9.8157 -29.3624   14.151      ?      ? 
1 1 1   11   17   24 o  121.321   4.3929  148.594   10.647 8.172424 8.785717 
1 1 1   11   17   25 o   32.909   9.6678   3.9632   10.477 -0.4125595E-01 19.33551 
1 1 1   11   17   26 o   83.279   8.8109   70.422   14.675      ?      ? 
1 1 1   11   17   27 o  154.172   3.8069  240.007   11.675 -1.349426 7.613864 
1 1 1   11   17   28 o   62.327   9.0805   41.705   10.913 9.047417 18.16092 
1 1 1   11   17   29 o   32.107   9.7332   0.5070   11.153 5.077358 19.46642 
1 1 1   11   17   30 o   46.948   10.315   21.742   11.377 19.77728 20.62992 
1 1 1   11   17   31 o   67.575   8.7074   47.668   11.463 13.52014 17.41474 
1 1 1   11   17   32 o   50.145   10.591   29.636   11.593 -11.09809 21.18158 
1 1 1   11   18    0 o  261.066   3.7833  663.180   19.422 -41.04440 7.566556 
1 1 1   11   18    1 o  335.950   3.9642  1105.30   26.206 -40.97534 7.928402 
1 1 1   11   18    2 o  192.540   4.1185  359.569   15.600 -42.01880 8.237072 
1 1 1   11   18    3 o  186.663   3.5870  322.923   11.797 -28.75897 7.173990 
1 1 1   11   18    4 o  219.501   3.3907  455.677   13.058 -24.89157 6.781392 
1 1 1   11   18    5 o  330.795   3.8890  1095.76   25.622 -3.787750 7.777940 
1 1 1   11   18    6 o  136.218   5.1408  190.705   13.440 12.49153 10.28165 
1 1 1   11   18    7 o  162.362   4.4329  262.847   13.961 -4.299286 8.865733 
1 1 1   11   18    8 o  178.837   4.2078  318.769   14.650 -5.084839 8.415598 
1 1 1   11   18    9 o   91.235   7.5639   86.055   13.242 8.526169 15.12772 
1 1 1   11   18   10 o  234.592   3.7761  549.430   17.500 -6.419235 7.552270 
1 1 1   11   18   11 o  155.932   4.6986  245.719   14.359 4.787827 9.397126 
1 1 1   11   18   12 o  142.874   5.0716  206.492   14.199 4.180023 10.14312 
1 1 1   11   18   13 o  158.107   4.6835  253.753   14.570 9.007843 9.367058 
1 1 1   11   18   14 o  204.321   4.0148  419.870   16.291 1.906219 8.029552 
1 1 1   11   18   15 o  186.907   3.7509  356.343   12.498 6.939941 7.501864 
1 1 1   11   18   16 o   93.038   9.7857  134.004   11.845 67.43529 19.57145 
1 1 1   11   18   17 o  281.651   3.6418  747.265   17.742 -32.69412 7.283523 
1 1 1   11   18   18 o  279.328   6.2034  784.094   34.656      ?      ? 
1 1 1   11   18   19 o   25.460   8.5624 -20.0121   11.837 0.7585125 17.12487 
1 1 1   11   18   20 o   55.830   10.793   35.759   11.880 11.08208 21.58651 
1 1 1   11   18   21 o  151.230   5.1155  242.589   13.284 13.19637 10.23104 
1 1 1   11   18   22 o  205.360   4.1752  424.137   15.343 1.462692 8.350341 
1 1 1   11   18   23 o  215.427   3.0396  466.362   13.082 1.819229 6.079101 
1 1 1   11   18   25 o  163.497   5.1042  268.701   16.690      ?      ? 
1 1 1   11   18   26 o   28.845   9.0888  -5.6610   10.924 -5.316481 18.17757 
1 1 1   11   18   27 o   94.642   5.8370   91.013   11.016 6.031265 11.67403 
1 1 1   11   18   28 o  106.787   5.3625  115.288   11.410 9.894424 10.72492 
1 1 1   11   18   29 o  116.673   5.0114  136.752   11.626 12.51740 10.02286 
1 1 1   11   18   30 o   48.637   10.428   24.370   11.410 15.83480 20.85565 
1 1 1   11   18   31 o  174.360   3.5846  306.532   12.498 0.6005859 7.169243 
1 1 1   11   19    0 o  232.654   3.7536  544.842   17.387 23.55070 7.507292 
1 1 1   11   19    1 o  433.625   4.5696  1884.36   39.588 18.95322 9.139184 
1 1 1   11   19    2 o  347.891   3.9799  1214.44   27.681 10.02249 7.959700 
1 1 1   11   19    3 o  204.251   3.3915  425.671   12.212 8.125351 6.782904 
1 1 1   11   19    4 o  140.715   4.3377  206.348   10.436 10.91563 8.675347 
1 1 1   11   19    5 o  216.277   3.3047  474.471   12.744 6.099274 6.609401 
1 1 1   11   19    6 o  323.258   3.8076  1047.35   24.508 -1.539948 7.615258 
1 1 1   11   19    7 o  313.066   3.7664  982.157   23.436 -1.734558 7.532759 
1 1 1   11   19    8 f  131.167   5.2469  180.083   13.003 19.29467 10.49387 
1 1 1   11   19    9 o  129.255   5.2076  169.705   13.027 5.372337 10.41520 
1 1 1   11   19   10 o   76.660   8.8492   63.114   12.542 12.70067 17.69839 
1 1 1   11   19   11 o  120.781   5.6177  147.407   13.261 1.276962 11.23533 
1 1 1   11   19   12 o   99.538   6.7528  100.223   13.132 -0.5737457 13.50568 
1 1 1   11   19   13 o   31.591   9.9009  -5.5471   12.520 1.670141 19.80188 
1 1 1   11   19   14 o  198.008   4.0410  400.762   15.731 24.92496 8.081946 
1 1 1   11   19   15 o  134.510   5.1492  183.518   11.672 2.200668 10.29836 
1 1 1   11   19   16 o  231.617   3.7094  536.806   14.921 -0.2710419 7.418828 
1 1 1   11   19   17 o  157.982   4.5186  253.228   12.274 2.399765 9.037144 
1 1 1   11   19   18 o  203.251   3.7186  419.288   13.804 5.310959 7.437290 
1 1 1   11   19   19 o  103.771   6.7422  111.524   12.308 4.680984 13.48430 
1 1 1   11   19   21 o  252.528   6.3679  640.047   32.162      ?      ? 
1 1 1   11   19   22 o  226.317   3.9986  517.570   16.117 1.608246 7.997235 
1 1 1   11   19   23 o   36.363   11.102   2.4738   13.028 -7.030437 22.20488 
1 1 1   11   19   24 o   72.043   7.7839   54.715   10.748 -14.02299 15.56780 
1 1 1   11   19   25 o   44.293   10.449   20.225   10.858 6.537342 20.89736 
1 1 1   11   19   26 o  156.878   3.7105  246.755   11.590 8.609848 7.421066 
1 1 1   11   19   27 o  159.304   3.7388  255.099   11.869 6.022232 7.477650 
1 1 1   11   19   28 o   84.069   6.7562   74.124   11.128 -10.79694 13.51234 
1 1 1   11   19   29 o   72.829   7.7049   55.013   11.199 0.1998749 15.40977 
1 1 1   11   19   30 o   95.663   5.8588   93.117   11.200 2.867142 11.71763 
1 1 1   11   20    0 o  324.763   3.7820  1058.21   24.551 7.444824 7.563949 
1 1 1   11   20    1 o  190.253   3.8421  363.544   14.488 2.251099 7.684233 
1 1 1   11   20    2 o   92.638   5.8513   87.218   9.1923 2.012260 11.70255 
1 1 1   11   20    3 o  101.344   5.3438  102.235   9.2200 -1.688339 10.68761 
1 1 1   11   20    4 o  171.054   3.5121  293.549   10.556 0.4518585 7.024209 
1 1 1   11   20    5 o  173.012   3.5694  302.004   10.725 2.387283 7.138700 
1 1 1   11   20    6 o  327.124   3.3575  1074.62   20.110 1.683380 6.715034 
1 1 1   11   20    7 o  175.406   4.0593  316.192   13.691 17.18872 8.118665 
1 1 1   11   20    8 o  159.510   4.2347  257.078   13.110 4.097000 8.469424 
1 1 1   11   20    9 o   98.668   6.2220   96.571   11.951 -7.591751 12.44398 
1 1 1   11   20   10 o   60.622   10.312   39.406   12.154 1.288155 20.62365 
1 1 1   11   20   11 o  153.314   4.5755  239.217   13.696 9.111023 9.151071 
1 1 1   11   20   12 o  265.768   3.7142  711.278   19.627 6.339874 7.428441 
1 1 1   11   20   13 o  217.443   4.0197  479.118   17.194 9.167953 8.039406 
1 1 1   11   20   14 o  341.943   4.1275  941.232   24.381 -136.9896 8.255053 
1 1 1   11   20   15 o  101.754   11.864  104.823   24.144      ?      ? 
1 1 1   11   20   16 o  174.571   3.9777  296.943   12.102 -11.23988 7.955303 
1 1 1   11   20   17 o   65.255   9.3517   45.435   10.716 4.168320 18.70344 
1 1 1   11   20   18 o  140.237   4.8055  203.708   11.957 8.772812 9.610937 
1 1 1   11   20   20 o  528.862   7.7791  2813.10   82.282      ?      ? 
1 1 1   11   20   21 o   39.863   10.566   12.284   12.663 13.07242 21.13118 
1 1 1   11   20   22 o   84.978   9.5133   85.510   12.814 21.69972 19.02661 
1 1 1   11   20   23 o  109.624   6.8387  117.252   13.394 -9.470154 13.67736 
1 1 1   11   20   24 o  210.876   4.0779  446.724   15.627 -2.723618 8.155852 
1 1 1   11   20   25 o   58.221   9.0906   35.297   10.730 26.67392 18.18121 
1 1 1   11   20   26 o   84.226   6.7448   72.061   11.292 12.00851 13.48960 
1 1 1   11   20   27 o   69.327   8.1822   51.086   11.010 -2.867401 16.36433 
1 1 1   11   20   28 f   30.152   9.4084  -3.1125   11.109 1.532936 18.81683 
1 1 1   11   20   29 o   80.988   6.9951   67.310   11.268 10.96424 13.99025 
1 1 1   11   20   30 o   85.554   8.7407  100.236   12.959 77.21056 17.48144 
1 1 1   11   21    0 o  391.428   4.1794  1536.35   32.658 -8.962189 8.358765 
1 1 1   11   21    1 o  283.858   3.5504  809.066   20.134 12.74475 7.100807 
1 1 1   11   21    2 o  206.612   3.0921  428.342   11.341 0.7041931 6.184272 
1 1 1   11   21    3 f  206.476   3.1497  435.313   11.530 8.658401 6.299444 
1 1 1   11   21    4 o  208.158   3.1496  443.350   11.608 9.630142 6.299102 
1 1 1   11   21    5 o  153.337   6.6681  236.569   20.449      ?      ? 
1 1 1   11   21    6 o  153.417   3.8279  225.829   9.9140 -12.32153 7.655810 
1 1 1   11   21    7 o  107.029   5.2118  113.702   9.3125 -2.513130 10.42366 
1 1 1   11   21    8 o   75.882   8.9653   69.391   11.751 36.47821 17.93053 
1 1 1   11   21    9 o  208.579   3.6546  432.548   14.938 -9.686951 7.309174 
1 1 1   11   21   10 o   28.611   9.3395 -12.5169   12.094 -4.808819 18.67897 
1 1 1   11   21   12 o  221.968   3.8907  469.787   16.727 -42.42178 7.781494 
1 1 1   11   21   13 o   94.650   9.3732  118.053   13.425 57.81146 18.74640 
1 1 1   11   21   15 o  130.036   5.0918  165.158   12.636 -13.50037 10.18369 
1 1 1   11   21   16 o  106.743   5.4950  115.003   10.265 -0.9204865E-01 10.99005 
1 1 1   11   21   17 o  110.933   5.4780  123.382   10.769 -2.648361 10.95604 
1 1 1   11   21   18 o  112.760   5.5651  119.016   11.367 -18.63055 11.13013 
1 1 1   11   21   19 o  209.923   3.6672  451.125   13.931 10.56818 7.334413 
1 1 1   11   21   20 o   39.617   9.7463   13.977   11.181 17.49701 19.49252 
1 1 1   11   21   21 o  127.597   5.8154  180.239   12.276 22.18987 11.63073 
1 1 1   11   21   22 o   86.652   8.7380   79.182   12.397 4.373398 17.47596 
1 1 1   11   21   23 o   99.398   7.7438  104.029   13.363 3.977760 15.48754 
1 1 1   11   21   24 o   33.882   10.673  -3.0046   13.149 -6.400677 21.34603 
1 1 1   11   21   25 o   45.920   12.005   19.535   13.801 -1.935493 24.00938 
1 1 1   11   21   26 o  145.546   4.0976  212.306   11.865 19.70815 8.195124 
1 1 1   11   21   27 o   68.051   8.7360   49.931   11.494 15.02624 17.47195 
1 1 1   11   21   28 o   78.382   7.1988   63.568   11.180 10.47493 14.39758 
1 1 1   11   21   29 o   58.633   8.4381   38.128   9.8066 30.39598 16.87616 
1 1 1   11   22    0 o  284.175   3.5242  807.121   19.980 27.35510 7.048497 
1 1 1   11   22    1 o  246.425   3.4109  611.533   16.749 18.12231 6.821723 
1 1 1   11   22    2 o  197.935   3.1761  401.203   10.863 8.694153 6.352127 
1 1 1   11   22    3 o  402.865   3.7159  1612.58   27.467 -9.846008 7.431701 
1 1 1   11   22    4 o  223.285   3.1108  504.637   12.131 4.620712 6.221580 
1 1 1   11   22    5 o  191.223   3.3493  362.723   10.650 -3.556625 6.698631 
1 1 1   11   22    6 o   95.543   5.9677   90.393   8.8323 -2.502678 11.93542 
1 1 1   11   22    7 o  104.370   5.3925   95.724   9.1007 -22.67432 10.78507 
1 1 1   11   22    9 o  124.440   5.6376  123.125   12.099 -90.11987 11.27525 
1 1 1   11   22   10 o  226.908   3.8422  520.935   16.792 8.841782 7.684409 
1 1 1   11   22   11 o  233.852   4.3870  538.715   18.985 123.7923 8.773993 
1 1 1   11   22   12 o  196.676   3.9685  378.041   14.724 -17.20509 7.937044 
1 1 1   11   22   13 o   89.408   7.1664   78.582   11.874 -7.960739 14.33280 
1 1 1   11   22   14 o   77.557   8.2892   63.313   11.771 4.240685 16.57832 
1 1 1   11   22   15 o   40.779   10.463   13.563   11.970 13.15771 20.92636 
1 1 1   11   22   17 o  166.891   4.0630  286.174   12.134 9.571640 8.125934 
1 1 1   11   22   18 o   28.771   9.3229  -8.0717   10.774 -7.294630 18.64588 
1 1 1   11   22   19 o   67.607   9.1638   46.085   10.843 -5.771309 18.32769 
1 1 1   11   22   20 o  141.256   4.9436  195.258   12.370 -9.671463 9.887131 
1 1 1   11   22   21 o  100.646   7.4240  110.464   12.414 14.17331 14.84793 
1 1 1   11   22   22 o  107.334   6.8884  121.633   12.673 6.565224 13.77687 
1 1 1   11   22   23 o   33.442   10.397  -0.8808   12.320 -4.522425 20.79494 
1 1 1   11   22   24 o   75.832   9.3900   56.014   12.731 -14.62244 18.78003 
1 1 1   11   22   25 f   33.647   10.725  -6.4069   13.496 -11.47895 21.44902 
1 1 1   11   22   26 o  108.686   7.0848  122.119   13.937 1.848534 14.16956 
1 1 1   11   22   27 o  108.646   7.0944  121.083   13.792 1.293648 14.18878 
1 1 1   11   22   28 o   98.246   5.3334  100.852   10.303 -14.08302 10.66680 
1 1 1   11   23    0 o   86.734   6.5166   76.485   11.097 -0.2090759 13.03329 
1 1 1   11   23    1 o  156.569   4.0697  245.971   12.580 -3.253357 8.139421 
1 1 1   11   23    2 o  188.182   3.2517  361.843   10.308 6.546783 6.503410 
1 1 1   11   23    3 o   69.440   8.2613   81.119   8.2040 58.43831 16.52267 
1 1 1   11   23    4 f  328.997   3.3295  1093.54   19.936 5.713928 6.659058 
1 1 1   11   23    5 o  242.464   3.1860  570.893   12.931 -13.42160 6.372100 
1 1 1   11   23    6 o  392.795   6.2175  1547.27   48.844      ?      ? 
1 1 1   11   23    7 o  334.040   5.7973  1118.02   38.731      ?      ? 
1 1 1   11   23    8 o  204.577   3.6782  475.716   12.645 57.92702 7.356446 
1 1 1   11   23    9 o   37.980   16.159   1.7617   21.519      ?      ? 
1 1 1   11   23   10 o   24.604   8.5018 -36.7500   11.242 -17.41652 17.00365 
1 1 1   11   23   11 o   40.038   10.666   10.285   10.969 -14.67708 21.33200 
1 1 1   11   23   12 f   56.946   10.367   31.702   11.591 -20.81730 20.73485 
1 1 1   11   23   13 o   42.872   10.924   16.670   11.560 -2.431541 21.84776 
1 1 1   11   23   14 o   66.289   9.3298   57.182   12.128 44.33221 18.65954 
1 1 1   11   23   15 o  183.422   4.2141  309.210   14.605 -84.28227 8.428267 
1 1 1   11   23   16 o  162.844   4.4524  265.624   14.440 -5.856125 8.904764 
1 1 1   11   23   17 o  134.236   4.6957  185.158   11.225 5.222656 9.391344 
1 1 1   11   23   18 o   73.505   9.1413   65.150   10.941 22.42420 18.28252 
1 1 1   11   23   19 o  103.025   6.1930   97.117   11.706 -25.40971 12.38600 
1 1 1   11   23   20 o  177.189   4.2430  319.632   13.241 4.318146 8.486092 
1 1 1   11   23   21 o   69.801   9.8756   51.739   11.948 1.013817 19.75125 
1 1 1   11   23   22 o   79.665   8.9135   67.197   12.351 2.121742 17.82696 
1 1 1   11   23   23 o   77.918   9.4746   65.785   12.677 5.320038 18.94922 
1 1 1   11   23   24 o   77.637   9.6566   66.808   12.591 8.125069 19.31322 
1 1 1   11   23   25 o   57.252   11.330   36.509   12.603 2.160076 22.65973 
1 1 1   11   23   26 f   89.587   7.8270   83.262   12.457 2.528297 15.65404 
1 1 1   11   23   27 f   42.765   10.751   19.202   11.493 4.789185 21.50187 
1 1 1   11   24    0 o  287.693   3.6273  827.504   20.795 34.22861 7.254503 
1 1 1   11   24    1 o  350.051   5.7863  1228.09   40.510      ?      ? 
1 1 1   11   24    2 o  356.539   5.8279  1274.30   41.557      ?      ? 
1 1 1   11   24    3 o  161.153   6.4449  260.627   20.772      ?      ? 
1 1 1   11   24    4 f  443.112   6.6556  1973.92   58.984      ?      ? 
1 1 1   11   24    5 o  185.506   3.3339  313.207   10.062 -29.35793 6.667817 
1 1 1   11   24    6 o  121.113   8.0697  149.366   19.547      ?      ? 
1 1 1   11   24    7 o  135.933   4.1157  186.828   9.1508 1.405579 8.231353 
1 1 1   11   24    8 o   62.439   8.7502   46.030   8.6146 15.62484 17.50045 
1 1 1   11   24    9 o  141.007   3.8781  194.516   9.0838 -6.536179 7.756268 
1 1 1   11   24   10 o  142.667   3.8001  205.614   9.1573 1.585678 7.600261 
1 1 1   11   24   11 o   60.623   9.2609   39.677   10.589 5.358559 18.52185 
1 1 1   11   24   13 o  147.026   4.4640  226.058   12.311 20.00505 8.928056 
1 1 1   11   24   14 o  176.978   4.1173  253.182   13.009 -106.1312 8.234674 
1 1 1   11   24   16 o  187.859   3.9860  358.562   14.774 8.841553 7.972036 
1 1 1   11   24   17 o   23.626   8.1723 -23.0141   10.549 -8.051737 16.34458 
1 1 1   11   24   18 o  168.217   4.0726  278.934   12.195 -7.092957 8.145281 
1 1 1   11   24   19 o   90.579   7.4295   91.369   11.397 15.50022 14.85898 
1 1 1   11   24   20 o   57.900   10.587   35.906   11.382 -1.550228 21.17341 
1 1 1   11   24   21 o   56.401   11.036   33.661   11.897 -5.260078 22.07109 
1 1 1   11   24   22 o  164.628   4.5324  272.819   13.370 -1.533707 9.064898 
1 1 1   11   24   23 o   52.320   10.826   32.693   12.391 16.35985 21.65248 
1 1 1   11   24   24 o  102.508   7.0343  108.987   12.762 2.648132 14.06855 
1 1 1   11   24   25 o   98.971   6.7947   93.195   12.256 -15.89166 13.58946 
1 1 1   11   24   26 o   62.273   8.9458   58.215   11.008 47.32427 17.89169 
1 1 1   11   25    0 o  208.378   3.6873  435.004   15.300 -7.111954 7.374634 
1 1 1   11   25    1 o  195.315   3.1679  387.795   10.618 5.253265 6.335725 
1 1 1   11   25    2 o  133.387   4.0006  184.219   8.6946 7.273972 8.001237 
1 1 1   11   25    3 o  125.525   4.1744  163.273   8.4732 6.843475 8.348879 
1 1 1   11   25    4 o  250.743   3.0179  633.260   13.392 2.344666 6.035762 
1 1 1   11   25    5 o  229.541   3.0260  528.404   11.973 0.2395630E-02 6.051991 
1 1 1   11   25    6 o  269.181   3.0648  724.331   14.519 -1.915161 6.129504 
1 1 1   11   25    7 o  169.904   6.0068  290.838   20.412      ?      ? 
1 1 1   11   25    8 o   53.601   8.4194   39.097   7.8415 27.06223 16.83883 
1 1 1   11   25    9 o   28.520   7.8229   3.0599   7.8964 12.69362 15.64572 
1 1 1   11   25   10 o   28.318   8.2165   1.4629   8.1381 7.520485 16.43301 
1 1 1   11   25   11 o  227.345   3.0144  458.937   11.453 -46.33109 6.028835 
1 1 1   11   25   12 o  137.904   5.0888  216.645   12.231 69.41943 10.17754 
1 1 1   11   25   13 o  133.150   4.6433  183.210   11.900 11.81409 9.286509 
1 1 1   11   25   14 o   75.024   8.0592   59.720   11.206 4.530701 16.11850 
1 1 1   11   25   15 o  130.396   4.8688  172.906   11.994 1.772003 9.737588 
1 1 1   11   25   16 o   83.258   7.4860   65.342   11.890 -22.09792 14.97194 
1 1 1   11   25   17 o   56.152   10.923   32.353   12.162 -12.81291 21.84618 
1 1 1   11   25   18 o  152.151   4.3081  235.917   11.394 3.219315 8.616190 
1 1 1   11   25   19 o  143.079   4.5881  204.594   11.553 -3.130783 9.176114 
1 1 1   11   25   20 o  160.916   4.3422  259.514   12.485 -2.462479 8.684301 
1 1 1   11   25   21 o   84.334   7.8998   71.832   11.711 -4.155495 15.79956 
1 1 1   11   25   22 o   38.346   10.971   3.3996   11.844 -20.27287 21.94259 
1 1 1   11   25   23 o  119.714   5.9605  150.607   12.440 8.649551 11.92095 
1 1 1   11   25   24 o  127.814   5.2283  160.606   11.860 -7.729057 10.45662 
1 1 1   11   25   25 o   90.079   12.151   95.697   21.891      ?      ? 
1 1 1   11   26    0 f  187.262   3.0441  359.712   10.160 9.105713 6.088168 
1 1 1   11   26    1 o  226.056   2.9153  527.979   12.007 16.59274 5.830648 
1 1 1   11   26    2 o  141.018   3.8480  223.501   8.7944 30.05832 7.696098 
1 1 1   11   26    3 o  156.422   3.5043  257.189   9.0884 12.71637 7.008679 
1 1 1   11   26    4 o  170.295   3.4314  315.458   9.7279 25.70131 6.862834 
1 1 1   11   26    5 o  138.905   4.4230  235.209   9.1859 47.45089 8.846001 
1 1 1   11   26    6 o  178.875   3.3301  316.727   9.7854 -4.025116 6.660163 
1 1 1   11   26    7 o  289.535   5.2640  840.724   30.482      ?      ? 
1 1 1   11   26    8 o  179.933   3.1731  323.436   9.4112 -0.7227173 6.346242 
1 1 1   11   26    9 o  124.811   4.0060  150.508   8.4939 -8.727219 8.011902 
1 1 1   11   26   10 o  236.257   2.9349  575.871   12.691 16.85374 5.869738 
1 1 1   11   26   11 o  141.347   3.6412  206.827   9.0110 8.824478 7.282479 
1 1 1   11   26   12 o   29.781   8.9858  -2.9508   8.4821 -17.05024 17.97152 
1 1 1   11   26   13 o   70.255   7.9628   48.478   10.604 -19.04114 15.92560 
1 1 1   11   26   14 o  140.751   4.4661  203.285   11.809 8.079468 8.932148 
1 1 1   11   26   15 o   33.933   10.097  -2.4141   11.377 -17.21845 20.19371 
1 1 1   11   26   16 o   22.888   7.9445 -29.2663   11.671 -3.753206 15.88905 
1 1 1   11   26   17 o  130.127   5.0588  169.103   12.582 -6.250458 10.11767 
1 1 1   11   26   18 o   80.213   8.0643   63.990   12.456 -12.12414 16.12866 
1 1 1   11   26   19 o   74.720   8.1495   52.335   10.806 -15.26752 16.29897 
1 1 1   11   26   20 o   71.032   9.2423   52.587   11.011 -1.237480 18.48460 
1 1 1   11   26   21 o  113.296   6.0442  136.969   11.769 11.39580 12.08846 
1 1 1   11   26   22 o  125.240   5.3990  151.045   12.427 -15.39299 10.79803 
1 1 1   11   26   23 o   95.689   6.6721   89.593   11.455 -8.988525 13.34417 
1 1 1   11   27    0 o  202.670   5.3025  411.880   21.493      ?      ? 
1 1 1   11   27    1 o  344.607   5.5691  1191.17   38.383      ?      ? 
1 1 1   11   27    2 o  211.735   3.0335  445.281   11.226 -3.575058 6.066974 
1 1 1   11   27    3 o  266.102   3.0215  674.919   13.949 -25.51913 6.042903 
1 1 1   11   27    4 o  266.466   3.0318  710.843   14.595 -0.7257080 6.063518 
1 1 1   11   27    5 o  218.495   3.0165  396.000   10.660 -64.61443 6.032917 
1 1 1   11   27    6 o   59.684   6.9657   63.310   7.7430 62.13110 13.93148 
1 1 1   11   27    7 f  144.915   6.3126  212.387   18.296      ?      ? 
1 1 1   11   27    8 o   83.163   5.6615   67.870   7.4207 -4.028168 11.32292 
1 1 1   11   27    9 o  134.458   3.7774  189.373   7.9322 9.144501 7.554820 
1 1 1   11   27   10 o   22.269   7.6412 -17.3944   7.4869 -14.91014 15.28245 
1 1 1   11   27   11 o   72.938   11.904   54.934   17.365      ?      ? 
1 1 1   11   27   12 f  129.854   4.1992  181.553   8.5973 15.57249 8.398404 
1 1 1   11   27   13 o   33.695   9.0843  -8.4191   8.3006 -33.69934 18.16859 
1 1 1   11   27   14 f  144.742   4.4151  211.368   11.975 -0.8422852 8.830293 
1 1 1   11   27   15 o   93.931   6.4754   86.952   11.453 -9.535316 12.95074 
1 1 1   11   27   16 o   85.367   7.1261   68.870   11.492 -21.37778 14.25230 
1 1 1   11   27   17 o   63.117   9.6839   50.890   11.724 31.99061 19.36784 
1 1 1   11   27   18 o   53.894   10.896   28.510   11.784 -19.51356 21.79230 
1 1 1   11   27   19 o   56.993   10.324   30.776   10.534 -17.52406 20.64869 
1 1 1   11   27   20 o   63.079   9.8731   45.751   10.912 11.81949 19.74615 
1 1 1   11   27   21 o  152.235   4.2531  218.176   11.342 -20.29520 8.506227 
1 1 1   11   27   22 o   74.723   7.2788   51.348   9.3312 -16.12279 14.55769 
1 1 1   11   28    0 o  239.298   3.4820  575.913   16.589 -3.034668 6.963925 
1 1 1   11   28    1 o  153.956   6.3271  239.780   19.482      ?      ? 
1 1 1   11   28    2 o   82.871   6.0618   69.966   7.7477 0.7676315 12.12368 
1 1 1   11   28    3 o  140.691   3.8979  208.849   8.5938 11.32443 7.795732 
1 1 1   11   28    4 o  213.192   3.0740  461.314   11.080 4.327698 6.148056 
1 1 1   11   28    5 o  190.611   3.1403  360.391   9.7374 -3.942963 6.280609 
1 1 1   11   28    6 o  199.929   3.0960  403.090   10.071 1.666519 6.192006 
1 1 1   11   28    7 o  126.909   4.1856  164.500   7.9316 3.168289 8.371279 
1 1 1   11   28    8 o  155.385   3.4046  232.739   8.2648 -9.662689 6.809287 
1 1 1   11   28    9 f  140.587   6.7229  199.458   18.903      ?      ? 
1 1 1   11   28   10 o   34.674   9.4232   5.0627   7.0802 -20.59906 18.84641 
1 1 1   11   28   11 o  144.165   3.7100  194.737   8.1155 -15.17130 7.420010 
1 1 1   11   28   12 o   84.785   6.0670   72.249   7.6298 -0.7600479 12.13400 
1 1 1   11   28   13 o   46.608   9.4868   22.618   7.6622 -0.6311989 18.97351 
1 1 1   11   28   14 o   77.947   7.6245   67.537   8.1544 9.971252 15.24900 
1 1 1   11   28   15 o   70.776   8.3719   55.160   8.2937 7.433060 16.74383 
1 1 1   11   28   16 o   30.703   9.6000  -8.4960   10.386 -18.71011 19.20002 
1 1 1   11   28   17 o   49.636   10.262   27.983   10.535 8.289326 20.52419 
1 1 1   11   28   18 o   91.612   6.5623   85.917   10.728 0.2627640 13.12467 
1 1 1   11   28   19 o  112.952   5.5453  125.744   10.937 -6.048958 11.09051 
1 1 1   11   28   20 o  132.880   4.5543  171.821   9.6862 -7.660553 9.108644 
1 1 1   11   29    0 o  323.574   3.3100  1034.57   19.158 -10.97708 6.619992 
1 1 1   11   29    1 o  379.396   3.6068  1442.49   25.116 -2.071411 7.213527 
1 1 1   11   29    2 o  264.955   3.1227  720.494   14.702 13.71286 6.245353 
1 1 1   11   29    3 o  141.598   4.1835  218.604   8.7840 18.45647 8.366965 
1 1 1   11   29    4 o  138.089   4.1195  202.739   8.2754 11.99210 8.239073 
1 1 1   11   29    5 o   94.326   5.9167  102.029   7.2471 17.23874 11.83346 
1 1 1   11   29    6 o   36.521   15.363   4.3029   19.087      ?      ? 
1 1 1   11   29    7 o  101.208   9.4902  105.787   19.210      ?      ? 
1 1 1   11   29    8 o  109.089   8.8959  121.834   19.409      ?      ? 
1 1 1   11   29    9 o   66.254   14.620   48.077   18.853      ?      ? 
1 1 1   11   29   10 o  102.905   9.3984  108.734   19.343      ?      ? 
1 1 1   11   29   11 o   71.106   14.033   55.200   19.246      ?      ? 
1 1 1   11   29   12 o   27.146   12.955 -23.0120   19.450      ?      ? 
1 1 1   11   29   13 o  114.705   4.4009  118.624   6.6639 -16.05733 8.801776 
1 1 1   11   29   14 o   57.490   8.5302   30.865   6.7928 -7.706627 17.06044 
1 1 1   11   29   15 o  182.469   3.3618  334.304   9.4942 -0.3198242E-01 6.723510 
1 1 1   11   29   16 o   51.922   9.4805   24.390   7.7195 -13.17607 18.96104 
1 1 1   11   29   17 o  145.742   4.1858  205.393   10.732 -12.05928 8.371675 
1 1 1   11   29   18 o   95.285   6.5315   96.041   9.7093 6.661041 13.06297 
1 1 1   11   29   19 o   99.777   9.4142  171.591   10.431 82.17944 18.82833 
1 1 1   11   30    0 o  128.891   4.7747  164.223   11.884 -10.94666 9.549473 
1 1 1   11   30    1 o  140.618   4.0039  204.132   8.3442 5.779938 8.007708 
1 1 1   11   30    2 o  120.288   4.3820  130.145   7.7776 -18.98845 8.764090 
1 1 1   11   30    3 o  271.290   5.4372  741.932   29.501      ?      ? 
1 1 1   11   30    4 o  105.085   9.4630  113.219   19.888      ?      ? 
1 1 1   11   30    5 o   93.777   10.513   90.850   19.717      ?      ? 
1 1 1   11   30    6 o   88.458   10.976   81.199   19.417      ?      ? 
1 1 1   11   30    7 o  150.217   6.9708  229.055   20.943      ?      ? 
1 1 1   11   30    8 o  104.323   9.7152  111.947   20.270      ?      ? 
1 1 1   11   30    9 o  137.758   7.7642  193.348   21.392      ?      ? 
1 1 1   11   30   10 o   48.286   16.841   24.026   20.028      ?      ? 
1 1 1   11   30   11 o  187.057   6.1581  354.621   23.038      ?      ? 
1 1 1   11   30   12 o  121.531   8.6548  151.221   21.036      ?      ? 
1 1 1   11   30   13 o   93.919   10.962   91.583   20.590      ?      ? 
1 1 1   11   30   14 o  143.222   7.4992  208.641   21.481      ?      ? 
1 1 1   11   30   15 o  245.963   5.6443  609.883   27.766      ?      ? 
1 1 1   11   30   16 o   83.275   12.548   72.459   20.899      ?      ? 
1 1 1   11   30   17 o  176.652   6.3410  321.514   22.403      ?      ? 
1 1 1   11   31    0 o  158.878   3.6216  268.055   8.5749 13.77347 7.243113 
1 1 1   11   31    1 o   78.218   12.201   63.995   19.087      ?      ? 
1 1 1   11   31    2 o   68.103   14.294   50.928   18.848      ?      ? 
1 1 1   11   31    3 o   58.239   15.641   37.820   18.608      ?      ? 
1 1 1   11   31    4 o   53.615   16.104   31.796   18.646      ?      ? 
1 1 1   11   31    5 o   75.785   12.193   60.329   18.480      ?      ? 
1 1 1   11   31    6 o  107.089   9.0617  118.003   19.408      ?      ? 
1 1 1   11   31    7 o   80.406   12.445   68.194   20.013      ?      ? 
1 1 1   11   31    8 o   84.759   12.011   75.245   20.361      ?      ? 
1 1 1   11   31    9 o   91.965   11.088   87.780   20.394      ?      ? 
1 1 1   11   31   10 o   38.155   15.747   6.9584   19.456      ?      ? 
1 1 1   11   31   11 o  101.587   10.036  106.391   20.392      ?      ? 
1 1 1   11   31   12 o  190.507   6.1151  366.439   23.300      ?      ? 
1 1 1   11   31   13 f  146.870   7.3734  218.800   21.659      ?      ? 
1 1 1   11   31   14 o   46.831   16.864   21.630   20.226      ?      ? 
1 1 1   11   31   15 o   57.761   16.771   96.555   20.514      ?      ? 
1 1 1   11   32    0 o  251.118   5.4134  636.308   27.188      ?      ? 
1 1 1   11   32    1 o  177.706   6.1755  319.509   21.948      ?      ? 
1 1 1   11   32    2 o  111.629   8.8970  127.651   19.863      ?      ? 
1 1 1   11   32    3 o  108.844   9.0931  121.513   19.795      ?      ? 
1 1 1   11   32    4 o  118.222   8.3885  142.883   19.834      ?      ? 
1 1 1   11   32    5 o  167.475   6.3004  284.107   21.103      ?      ? 
1 1 1   11   32    6 o  146.025   7.0923  216.696   20.713      ?      ? 
1 1 1   11   32    7 f  214.241   5.6614  463.319   24.258      ?      ? 
1 1 1   11   32    8 o  187.536   6.0456  355.068   22.675      ?      ? 
1 1 1   11   32    9 o  133.019   7.6578  179.586   20.373      ?      ? 
1 1 1   11   32   10 o  153.831   7.0583  239.875   21.716      ?      ? 
1 1 1   11   32   11 o  121.770   8.7302  152.241   21.262      ?      ? 
1 1 1   11   32   12 o   50.796   16.795   38.029   19.846      ?      ? 
1 1 1   11   33    0 o  201.462   5.6839  409.215   22.902      ?      ? 
1 1 1   11   33    1 f  187.222   5.9212  353.662   22.172      ?      ? 
1 1 1   11   33    2 o  128.362   7.9004  167.410   20.282      ?      ? 
1 1 1   11   33    3 o  163.608   6.5615  270.680   21.470      ?      ? 
1 1 1   11   33    4 o  126.039   8.1147  161.667   20.455      ?      ? 
1 1 1   11   33    5 o  100.480   10.142  103.908   20.381      ?      ? 
1 1 1   11   33    6 o  125.926   8.1393  161.924   20.499      ?      ? 
1 1 1   11   33    7 f   67.936   14.367   51.797   18.920      ?      ? 
1 1 1   11   33    8 o  128.245   7.4180  175.685   19.026      ?      ? 
1 1 1   12    0    4 f  296.171   5.5390  878.410   32.784 -0.000000 0.000000 
1 1 1   12    0    5 o  443.095   6.6469  1965.71   58.875 -0.000000 0.000000 
1 1 1   12    0    6 o  277.521   5.5517  771.414   30.787 -0.000000 0.000000 
1 1 1   12    0    7 o  270.242   5.6391  731.625   30.449 -0.000000 0.000000 
1 1 1   12    0    8 o  185.423   6.6591  345.410   24.625 -0.000000 0.000000 
1 1 1   12    0    9 o  106.811   11.188  118.024   23.432 -0.000000 0.000000 
1 1 1   12    0   10 o  179.907   7.2284  325.498   25.918 -0.000000 0.000000 
1 1 1   12    0   11 o  508.394   7.5457  2589.02   76.686 -0.000000 0.000000 
1 1 1   12    0   12 o  257.864   6.2772  666.654   32.331 -0.000000 0.000000 
1 1 1   12    0   13 o  176.887   7.6040  315.020   26.794 -0.000000 0.000000 
1 1 1   12    0   14 o  577.071   8.3756  3337.92   96.621 -0.000000 0.000000 
1 1 1   12    0   15 o  190.294   5.1315  363.975   19.352 -0.000000 0.000000 
1 1 1   12    0   16 o  342.778   4.3611  1178.05   29.860 -0.000000 0.000000 
1 1 1   12    0   17 o   30.185   13.432   2.0435   16.754 -0.000000 0.000000 
1 1 1   12    0   18 o  149.417   6.0094  228.669   17.477 -0.000000 0.000000 
1 1 1   12    0   19 o   33.390   13.928   13.098   16.016 -0.000000 0.000000 
1 1 1   12    0   20 o  101.440   8.3308  108.354   16.340 -0.000000 0.000000 
1 1 1   12    0   21 o  261.916   4.1631  687.194   21.738 -0.000000 0.000000 
1 1 1   12    0   22 o   19.435   9.7725 -27.7316   15.376 -0.000000 0.000000 
1 1 1   12    0   23 o   44.314   15.361   29.375   15.779 -0.000000 0.000000 
1 1 1   12    0   24 o   19.945   10.271 -46.1404   18.440 -0.000000 0.000000 
1 1 1   12    0   26 o   33.737   13.688   14.839   15.312 -0.000000 0.000000 
1 1 1   12    0   27 o   56.264   13.893   45.964   15.458 -0.000000 0.000000 
1 1 1   12    0   28 o   96.574   9.3928   98.296   17.214 -0.000000 0.000000 
1 1 1   12    0   29 o   24.672   11.610 -17.5819   16.973 -0.000000 0.000000 
1 1 1   12    0   30 f  103.931   8.9687  117.298   17.221 -0.000000 0.000000 
1 1 1   12    0   31 o   47.558   16.263   34.665   17.485 -0.000000 0.000000 
1 1 1   12    0   32 o   23.491   11.548 -15.3522   17.237 -0.000000 0.000000 
1 1 1   12    0   33 o   42.242   14.363   26.923   17.138 -0.000000 0.000000 
1 1 1   12    0   34 o   39.320   14.782   21.283   17.849 -0.000000 0.000000 
1 1 1   12    0   35 o   71.348   13.171   66.140   17.831 -0.000000 0.000000 
1 1 1   12    0   36 o   39.840   15.276   26.286   15.397 -0.000000 0.000000 
1 1 1   12    1    3 o  302.871   5.7340  918.035   34.733      ?      ? 
1 1 1   12    1    4 o  517.765   5.2977  2676.21   54.736 -22.49960 10.59536 
1 1 1   12    1    5 o  519.782   5.3118  2705.43   55.219 -0.2774048 10.62368 
1 1 1   12    1    6 o  368.012   4.2390  1355.51   31.198 -3.042633 8.478024 
1 1 1   12    1    7 o  302.410   4.0196  915.375   24.309 5.893188 8.039165 
1 1 1   12    1    8 o  328.186   4.1364  1078.16   27.147 7.092163 8.272730 
1 1 1   12    1    9 o  506.971   5.2786  2574.26   53.513 -5.413605 10.55725 
1 1 1   12    1   10 o  250.558   4.2660  626.181   21.335 -20.67508 8.532041 
1 1 1   12    1   11 o  254.010   4.3209  646.011   21.950 -2.671890 8.641852 
1 1 1   12    1   12 o  407.221   4.6280  1660.89   37.685 -3.565735 9.255982 
1 1 1   12    1   13 f  158.878   5.7730  253.154   18.318 -11.36798 11.54590 
1 1 1   12    1   14 o  232.679   4.6244  542.602   21.516 4.823730 9.248867 
1 1 1   12    1   15 o   35.383   10.359   3.2370   12.023 -2.300484 20.71767 
1 1 1   12    1   16 o  167.216   3.8321  280.083   12.815 2.405594 7.664229 
1 1 1   12    1   17 o  104.236   5.8236  109.200   12.078 13.72456 11.64718 
1 1 1   12    1   18 o  208.958   4.5909  437.300   19.186      ?      ? 
1 1 1   12    1   19 f   89.006   6.4859   79.811   11.539 4.033768 12.97171 
1 1 1   12    1   20 o  143.561   4.1240  206.770   11.841 -0.5672302 8.247938 
1 1 1   12    1   21 o  105.139   5.3634  111.334   11.271 -3.865448 10.72677 
1 1 1   12    1   22 o   81.771   6.6864   67.790   10.917 5.574509 13.37271 
1 1 1   12    1   23 f   81.362   6.7826   67.026   11.030 3.379669 13.56520 
1 1 1   12    1   24 o   43.682   10.238   13.565   12.575 -26.32252 20.47531 
1 1 1   12    1   26 o   27.795   8.9173  -8.1701   10.752 -0.8790188 17.83458 
1 1 1   12    1   27 o   27.634   8.8698  -8.1758   10.685 -1.336662 17.73950 
1 1 1   12    1   29 o   30.571   9.6057  -5.3417   11.919 -4.562305 19.21147 
1 1 1   12    1   30 o   21.267   7.4419 -36.8118   11.764 0.2714958 14.88390 
1 1 1   12    1   31 o   30.698   9.6117  -6.2433   12.080 -7.289757 19.22338 
1 1 1   12    1   32 f   32.808   9.7704  -2.6449   11.976 13.21211 19.54075 
1 1 1   12    1   33 o   41.037   10.874   14.652   12.065 1.770706 21.74794 
1 1 1   12    1   34 o   80.047   7.8029   66.471   12.484 4.004211 15.60581 
1 1 1   12    1   35 o   72.693   8.9714   56.322   12.606 7.964676 17.94274 
1 1 1   12    1   36 o   35.349   10.246   12.957   11.443 -6.679939 20.49146 
1 1 1   12    2    3 o  381.942   6.1132  1460.10   46.698      ?      ? 
1 1 1   12    2    4 o  386.629   4.3162  1482.70   33.204 34.25238 8.632382 
1 1 1   12    2    5 o  259.933   3.9002  675.938   20.259 -2.013794 7.800495 
1 1 1   12    2    6 o  441.954   4.7232  1952.41   41.696 -13.94965 9.446355 
1 1 1   12    2    7 o  551.897   5.6220  3051.66   62.043 -5.225708 11.24393 
1 1 1   12    2    8 o  390.619   4.4370  1527.90   34.661 0.1596985 8.873963 
1 1 1   12    2    9 o  153.791   5.6101  235.912   17.185 -19.59247 11.22013 
1 1 1   12    2   10 o  249.008   4.2529  613.362   21.050 -34.67883 8.505885 
1 1 1   12    2   11 o   71.681   11.905   54.194   16.841 10.90409 23.81002 
1 1 1   12    2   12 o  177.540   5.1792  315.932   18.385 0.6080322 10.35840 
1 1 1   12    2   13 o  164.256   5.6172  270.411   18.447 -3.762268 11.23438 
1 1 1   12    2   14 o  237.378   4.5837  564.795   21.755 2.707687 9.167313 
1 1 1   12    2   15 o  116.020   6.8821  138.167   14.492 6.251877 13.76412 
1 1 1   12    2   16 o  130.996   4.7176  172.136   12.352 5.520218 9.435152 
1 1 1   12    2   17 o  184.765   3.5873  341.915   13.255 -2.824173 7.174509 
1 1 1   12    2   18 o  161.572   3.9191  261.396   12.653 9.867447 7.838231 
1 1 1   12    2   19 o   80.390   7.1890   65.877   11.429 -13.03835 14.37790 
1 1 1   12    2   20 o  219.184   3.0772  481.292   13.489 2.535004 6.154402 
1 1 1   12    2   21 o  100.215   5.5243  101.119   11.067 4.408394 11.04865 
1 1 1   12    2   22 o  125.455   4.4301  158.167   11.110 5.552338 8.860232 
1 1 1   12    2   23 o  122.465   4.5891  151.465   11.197 -6.794403 9.178138 
1 1 1   12    2   24 o  101.408   6.2949  106.444   12.344 -29.48999 12.58983 
1 1 1   12    2   25 o   95.196   6.6661   92.390   12.406 24.79928 13.33215 
1 1 1   12    2   26 o   63.801   12.458   43.235   15.330      ?      ? 
1 1 1   12    2   27 o   93.692   5.9277   89.293   11.102 1.293945 11.85548 
1 1 1   12    2   28 o  102.518   8.5371  105.831   17.504      ?      ? 
1 1 1   12    2   29 o   48.469   10.942   24.944   12.044 5.218784 21.88389 
1 1 1   12    2   30 o   36.034   10.355   5.8372   11.945 -6.772869 20.70971 
1 1 1   12    2   31 o  116.807   5.3465  139.284   12.436 -10.59435 10.69291 
1 1 1   12    2   32 o   28.673   9.2474 -10.9148   11.977 6.176382 18.49483 
1 1 1   12    2   33 o   97.341   6.2631   97.021   12.125 13.99399 12.52617 
1 1 1   12    2   34 o   51.335   10.860   28.088   12.440 15.55942 21.71921 
1 1 1   12    2   35 o   91.724   6.8754   85.974   12.599 -4.169296 13.75079 
1 1 1   12    2   36 o   20.112   10.120 -21.4514   18.243      ?      ? 
1 1 1   12    3    3 o  268.361   5.5371  720.705   29.719      ?      ? 
1 1 1   12    3    4 o  256.632   3.9275  658.546   20.123 21.09474 7.854965 
1 1 1   12    3    5 o  354.035   4.1457  1254.31   29.351 7.188141 8.291433 
1 1 1   12    3    6 o  343.053   4.1474  1178.16   28.453 4.112366 8.294703 
1 1 1   12    3    7 o  294.090   4.1109  866.136   24.167 11.44849 8.221707 
1 1 1   12    3    8 o  574.916   5.8375  3312.74   67.121 3.748169 11.67503 
1 1 1   12    3    9 o  246.163   4.2926  601.521   21.033 -21.43129 8.585279 
1 1 1   12    3   10 o   75.236   11.343   58.808   16.568 -15.03571 22.68632 
1 1 1   12    3   11 o  302.583   4.2141  916.368   25.484 -3.762085 8.428160 
1 1 1   12    3   12 o  220.798   4.5172  488.336   19.944 -0.6046906 9.034330 
1 1 1   12    3   13 o  201.411   4.8241  406.438   19.416 -1.090622 9.648108 
1 1 1   12    3   14 o  128.851   7.0910  166.715   18.263 -3.929756 14.18191 
1 1 1   12    3   15 o  335.340   3.8157  1125.87   23.823 -0.2350464 7.631466 
1 1 1   12    3   16 o  343.884   3.0686  1183.77   21.102 -2.818085 6.137144 
1 1 1   12    3   17 o  219.536   3.2354  481.954   14.194 -6.988663 6.470778 
1 1 1   12    3   18 o  172.198   3.7399  297.095   12.875 -1.598724 7.479860 
1 1 1   12    3   19 o  185.971   3.4184  346.736   12.712 3.023438 6.836839 
1 1 1   12    3   20 o  229.670   3.0077  528.376   13.814 -1.723724 6.015347 
1 1 1   12    3   21 o   68.450   8.2060   48.446   10.958 -6.154762 16.41208 
1 1 1   12    3   22 o   81.731   6.5439   67.675   10.691 -2.117165 13.08781 
1 1 1   12    3   23 o  139.348   4.0458  194.955   11.262 9.757202 8.091514 
1 1 1   12    3   24 o  152.306   5.7531  232.767   17.525      ?      ? 
1 1 1   12    3   25 o  130.382   4.6545  170.828   12.127 4.196671 9.308971 
1 1 1   12    3   26 o  143.013   3.9882  205.909   11.401 -3.875717 7.976353 
1 1 1   12    3   27 o  153.280   4.0113  236.998   12.291 -6.454361 8.022543 
1 1 1   12    3   28 f   89.133   7.4702   82.218   12.971 19.36739 14.94040 
1 1 1   12    3   29 o   25.400   8.5697 -20.8689   12.083 0.2203846 17.13939 
1 1 1   12    3   30 o   65.885   13.242   46.795   16.835      ?      ? 
1 1 1   12    3   31 o   75.750   7.9992   59.916   12.109 -2.276062 15.99846 
1 1 1   12    3   32 o   79.320   7.6231   65.221   12.079 -3.549110 15.24615 
1 1 1   12    3   33 o   67.177   9.1290   48.449   11.986 13.02307 18.25805 
1 1 1   12    3   34 o   50.256   11.216   27.319   12.579 1.309486 22.43117 
1 1 1   12    3   35 o  124.583   5.1696  157.355   12.873 -0.7019882 10.33921 
1 1 1   12    4    3 o  340.896   5.6834  1163.03   38.749      ?      ? 
1 1 1   12    4    4 o  318.879   3.9628  1011.16   25.183 24.45432 7.925683 
1 1 1   12    4    5 o  609.946   6.1025  3728.46   74.442 -2.247803 12.20505 
1 1 1   12    4    6 o  331.192   4.1202  1098.10   27.285 -0.5078735 8.240419 
1 1 1   12    4    7 o  754.579   7.4562  5715.61  112.525 -1.589233 14.91246 
1 1 1   12    4    8 o  422.329   4.6584  1785.60   39.334 -4.196747 9.316753 
1 1 1   12    4    9 o  415.432   4.6480  1724.27   38.546 -14.69485 9.295957 
1 1 1   12    4   10 o  412.863   4.6315  1707.18   38.236 -0.1312256 9.262920 
1 1 1   12    4   11 o  122.944   6.9775  151.727   17.124 -0.1820068 13.95490 
1 1 1   12    4   12 o  187.776   4.9570  352.979   18.605 -8.477097 9.914083 
1 1 1   12    4   13 o  189.655   5.0508  360.057   19.141 -11.13206 10.10161 
1 1 1   12    4   14 o   67.461   12.670   48.002   17.593 12.56402 25.34005 
1 1 1   12    4   15 o  206.018   4.2487  427.549   16.115 2.942139 8.497494 
1 1 1   12    4   16 o  111.926   5.3800  125.981   12.016 7.262260 10.75995 
1 1 1   12    4   17 o  188.834   4.9622  357.141   18.741      ?      ? 
1 1 1   12    4   18 o   69.640   8.5699   49.815   11.657 -8.206070 17.13979 
1 1 1   12    4   19 o  199.304   3.2364  397.960   12.892 9.788925 6.472815 
1 1 1   12    4   20 f  117.035   4.8121  137.640   11.263 1.039970 9.624258 
1 1 1   12    4   21 o  147.940   3.8588  219.700   11.414 -1.000916 7.717633 
1 1 1   12    4   22 o  199.160   3.0570  397.764   12.175 -3.043365 6.113948 
1 1 1   12    4   23 o   77.733   9.5868   61.387   14.904      ?      ? 
1 1 1   12    4   24 o  199.085   4.6107  396.970   18.358      ?      ? 
1 1 1   12    4   26 o   39.632   9.6984   12.587   10.341 -17.29819 19.39670 
1 1 1   12    4   27 o   29.338   9.2786  -5.1372   11.249 -3.490444 18.55721 
1 1 1   12    4   29 o   62.384   9.8685   42.217   12.028 -10.80869 19.73692 
1 1 1   12    4   30 o   94.466   6.2624   91.037   11.804 6.649323 12.52473 
1 1 1   12    4   31 o   24.542   8.3013 -24.0471   11.817 6.743589 16.60259 
1 1 1   12    4   32 o   59.688   10.132   39.325   12.002 8.849415 20.26463 
1 1 1   12    4   33 o   58.324   10.170   37.943   11.917 -12.65965 20.33932 
1 1 1   12    4   34 o   71.294   9.1198   54.371   12.712 -4.781487 18.23965 
1 1 1   12    4   35 f   75.641   8.4208   60.310   12.402 7.891380 16.84170 
1 1 1   12    5    3 o  584.809   8.3346  3426.65   97.483      ?      ? 
1 1 1   12    5    4 o  299.980   3.9610  900.990   23.757 7.580383 7.921995 
1 1 1   12    5    5 o  419.094   4.5466  1758.87   38.108 4.041260 9.093280 
1 1 1   12    5    6 o  372.407   4.2741  1387.69   31.824 10.70645 8.548299 
1 1 1   12    5    7 o  183.317   4.7526  335.951   17.409 -9.685089 9.505257 
1 1 1   12    5    8 o  248.277   4.2239  580.609   20.260 -86.87268 8.447821 
1 1 1   12    5    9 o  163.297   5.3435  267.017   17.443 7.151794 10.68690 
1 1 1   12    5   10 o  126.513   6.6448  160.923   16.778 6.291611 13.28951 
1 1 1   12    5   11 o  136.230   6.3043  186.416   17.157 4.831558 12.60865 
1 1 1   12    5   12 o  266.798   4.2333  711.866   22.570 -10.22427 8.466624 
1 1 1   12    5   13 o  163.294   5.7512  266.658   18.752 -10.30424 11.50232 
1 1 1   12    5   14 o  110.559   7.3020  126.789   14.607 8.743408 14.60409 
1 1 1   12    5   15 o  309.650   3.7411  964.450   21.544 3.729279 7.482293 
1 1 1   12    5   16 o  158.057   5.2037  256.948   14.830 9.700363 10.40732 
1 1 1   12    5   17 o  136.982   4.4241  188.228   12.111 6.412735 8.848290 
1 1 1   12    5   18 o  277.191   2.9336  768.770   16.252 -7.924316 5.867133 
1 1 1   12    5   19 o  262.376   2.9028  689.477   15.232 -2.636963 5.805517 
1 1 1   12    5   20 o   63.773   8.8596   42.741   11.008 20.71419 17.71912 
1 1 1   12    5   21 o   57.907   9.4219   35.674   10.718 8.799377 18.84373 
1 1 1   12    5   22 f  152.007   3.6857  232.029   11.200 5.742371 7.371449 
1 1 1   12    5   23 o   91.028   8.2741   84.020   15.063      ?      ? 
1 1 1   12    5   25 o   96.399   5.5766   94.837   10.707 -9.276367 11.15327 
1 1 1   12    5   26 o   25.378   8.3177 -12.2245   10.180 2.849791 16.63550 
1 1 1   12    5   27 o   67.297   12.294   49.513   15.932      ?      ? 
1 1 1   12    5   28 o  196.057   5.1563  385.783   20.219      ?      ? 
1 1 1   12    5   29 o   25.719   8.6312 -19.2777   11.992 -1.500488 17.26233 
1 1 1   12    5   30 o  113.113   5.3140  129.427   12.022 0.9584351 10.62806 
1 1 1   12    5   31 o   29.967   9.4661  -5.6359   11.708 -3.604429 18.93228 
1 1 1   12    5   32 o   28.409   9.1941  -9.9157   11.804 -0.4758301 18.38818 
1 1 1   12    5   33 o   53.945   10.605   32.542   11.915 -5.858097 21.20931 
1 1 1   12    5   34 o   90.453   7.0654   84.491   12.769 5.395058 14.13078 
1 1 1   12    5   35 o   87.311   7.0680   78.561   12.304 5.966911 14.13591 
1 1 1   12    6    2 o  327.615   5.8104  1074.46   38.072      ?      ? 
1 1 1   12    6    3 o  413.422   6.4483  1711.54   53.318      ?      ? 
1 1 1   12    6    4 f  252.828   3.9681  641.545   20.014 13.82793 7.936277 
1 1 1   12    6    5 o  533.362   5.4397  2844.70   57.927 -17.61261 10.87937 
1 1 1   12    6    6 o  399.160   4.4391  1590.83   35.360 -16.05380 8.878179 
1 1 1   12    6    7 o  267.890   4.0411  717.837   21.633 -4.675140 8.082191 
1 1 1   12    6    8 f  354.445   4.2422  1240.43   29.831 38.46863 8.484435 
1 1 1   12    6    9 o  258.326   4.1450  666.826   21.393 -12.99957 8.289976 
1 1 1   12    6   10 o  109.752   7.5477  120.743   16.539 -3.949432 15.09536 
1 1 1   12    6   11 o  379.348   4.4127  1440.22   33.457 -8.680023 8.825463 
1 1 1   12    6   12 o  307.720   4.2080  947.792   25.878 -5.621094 8.416041 
1 1 1   12    6   13 o  294.493   4.2761  866.533   25.133 -11.95627 8.552191 
1 1 1   12    6   14 o   86.762   8.8093   74.060   14.332 -5.838844 17.61860 
1 1 1   12    6   15 o  194.251   4.3688  386.205   15.589 10.89151 8.737536 
1 1 1   12    6   16 o  211.284   4.0895  442.800   15.904 -5.255753 8.179085 
1 1 1   12    6   17 o   86.873   6.7222   76.245   11.578 14.29040 13.44441 
1 1 1   12    6   18 o  181.604   3.3901  330.666   12.308 2.029388 6.780290 
1 1 1   12    6   19 o   79.195   6.9407   63.335   10.987 1.503769 13.88133 
1 1 1   12    6   20 o   34.834   9.9752   5.4815   10.816 -0.7831535 19.95047 
1 1 1   12    6   21 o  112.036   4.8330  126.430   10.813 7.701302 9.666007 
1 1 1   12    6   22 o   84.331   6.2622   71.936   10.535 8.017937 12.52445 
1 1 1   12    6   23 o   82.750   7.3178   71.863   11.052 37.71092 14.63561 
1 1 1   12    6   25 o   52.284   9.7242   29.534   10.327 -3.796459 19.44838 
1 1 1   12    6   26 o   96.573   5.5513   94.577   10.694 -8.292145 11.10252 
1 1 1   12    6   27 o  174.735   3.5917  306.926   12.546 5.130463 7.183303 
1 1 1   12    6   28 o   29.293   9.3941  -9.1806   12.019 3.450884 18.78814 
1 1 1   12    6   29 o   47.472   10.755   24.025   11.547 -1.318474 21.50972 
1 1 1   12    6   30 o   96.187   6.1976   93.982   11.913 -1.727898 12.39516 
1 1 1   12    6   31 o   37.297   10.373   8.5135   11.641 8.149441 20.74633 
1 1 1   12    6   32 o   66.597   9.3183   48.212   11.962 -3.993950 18.63662 
1 1 1   12    6   33 o   36.408   10.427   6.9007   11.957 6.646442 20.85388 
1 1 1   12    6   34 o   51.426   10.925   28.892   12.361 -9.754982 21.84949 
1 1 1   12    6   35 f   39.547   10.685   12.563   11.824 3.869049 21.37061 
1 1 1   12    7    2 f  252.272   5.8384  637.164   29.458      ?      ? 
1 1 1   12    7    3 o  422.909   6.5503  1791.15   55.404      ?      ? 
1 1 1   12    7    4 o  244.461   3.9466  597.156   19.190 -4.039856 7.893178 
1 1 1   12    7    5 o  522.095   5.3415  2725.94   55.684 -15.23138 10.68301 
1 1 1   12    7    6 o  262.837   4.0167  681.463   20.926 -28.09801 8.033311 
1 1 1   12    7    7 o  379.706   4.3555  1442.35   33.027 -5.742004 8.711083 
1 1 1   12    7    8 o  395.087   4.4702  1563.15   35.294 -0.5585938 8.940356 
1 1 1   12    7    9 o  270.680   4.1431  734.939   22.390 14.79529 8.286147 
1 1 1   12    7   10 o  130.223   6.4058  170.027   16.589 -1.040421 12.81156 
1 1 1   12    7   11 o  115.807   7.4046  135.403   16.950 3.812538 14.80922 
1 1 1   12    7   12 o  327.379   4.2568  1070.53   27.782 -11.46451 8.513610 
1 1 1   12    7   13 o  116.380   7.7224  136.723   17.833 2.848999 15.44477 
1 1 1   12    7   14 o  177.710   4.6627  314.504   15.301 -2.921982 9.325315 
1 1 1   12    7   15 o  305.268   3.7333  934.948   21.298 1.542236 7.466524 
1 1 1   12    7   16 o  130.194   5.9698  173.214   14.337 6.169029 11.93957 
1 1 1   12    7   17 o  185.520   3.4171  345.194   12.666 -8.803513 6.834212 
1 1 1   12    7   18 o  135.898   4.2082  185.295   11.435 0.8986664 8.416460 
1 1 1   12    7   19 o  146.542   3.8938  215.420   11.409 0.2153931 7.787632 
1 1 1   12    7   20 o   33.464   9.6810   3.4844   10.547 -6.107418 19.36203 
1 1 1   12    7   21 f   34.412   9.3900   4.2121   10.257 -15.07789 18.77997 
1 1 1   12    7   22 o   34.317   9.7687   5.9947   10.286 0.2327232 19.53730 
1 1 1   12    7   23 o  174.584   3.4635  308.501   11.950 -28.94539 6.926990 
1 1 1   12    7   24 o   51.745   10.093   28.283   10.736 2.087448 20.18688 
1 1 1   12    7   25 o  200.538   3.0539  402.821   12.227 6.172379 6.107889 
1 1 1   12    7   26 o   75.727   7.2522   58.841   10.984 -0.5080414E-01 14.50436 
1 1 1   12    7   27 o  104.753   8.3413  110.474   17.476      ?      ? 
1 1 1   12    7   28 o   51.896   10.826   29.396   12.016 2.500557 21.65230 
1 1 1   12    7   29 o   36.185   10.027   5.6524   11.560 -14.16542 20.05364 
1 1 1   12    7   30 o   38.510   10.242   8.0749   11.762 17.33024 20.48387 
1 1 1   12    7   31 o   41.687   10.619   15.185   11.789 -11.17091 21.23826 
1 1 1   12    7   32 o   52.898   10.654   30.738   11.809 3.126438 21.30856 
1 1 1   12    7   33 o   59.360   10.215   38.850   12.047 8.190132 20.42924 
1 1 1   12    7   34 f  129.146   4.9929  169.070   12.878 -0.9574890 9.985795 
1 1 1   12    7   35 o   52.130   10.534   30.953   11.534 -0.6978416 21.06890 
1 1 1   12    8    2 o  280.963   5.7985  790.251   32.583      ?      ? 
1 1 1   12    8    3 o  285.720   5.7466  817.208   32.838      ?      ? 
1 1 1   12    8    4 o  407.175   4.4341  1656.60   36.026 -11.54016 8.868244 
1 1 1   12    8    5 o  283.814   3.9420  809.036   22.300 19.16901 7.883973 
1 1 1   12    8    6 o  324.218   4.0575  1051.19   26.224 -4.337219 8.114999 
1 1 1   12    8    7 o  133.975   6.2470  183.804   16.349 17.19254 12.49395 
1 1 1   12    8    8 o  328.768   4.1644  1078.70   27.265 -11.51416 8.328779 
1 1 1   12    8    9 o  377.148   4.4002  1424.61   33.176 -1.361359 8.800432 
1 1 1   12    8   10 o  468.211   5.0003  2192.85   46.742 -14.77048 10.00069 
1 1 1   12    8   11 o  382.714   4.5187  1459.63   34.430 -20.79135 9.037392 
1 1 1   12    8   12 o  215.918   4.7323  464.470   20.341 -13.14445 9.464524 
1 1 1   12    8   13 o  127.697   7.2355  165.671   18.274 11.05820 14.47109 
1 1 1   12    8   14 o  238.245   3.9075  565.198   17.029 -3.409805 7.814963 
1 1 1   12    8   15 f  124.999   6.0878  146.270   14.156 -22.29732 12.17558 
1 1 1   12    8   16 o  191.991   4.3684  367.000   15.459 -3.385162 8.736854 
1 1 1   12    8   17 o  140.152   5.4123  192.818   14.077 -8.620941 10.82458 
1 1 1   12    8   18 o  176.302   3.4061  311.251   11.999 3.213333 6.812191 
1 1 1   12    8   19 o   63.070   8.7057   41.708   10.584 6.871838 17.41133 
1 1 1   12    8   20 o   79.054   6.5526   62.998   10.333 8.058876 13.10521 
1 1 1   12    8   21 o   87.672   5.8624   77.955   10.214 -3.819191 11.72472 
1 1 1   12    8   22 o   75.205   10.302   57.812   15.495      ?      ? 
1 1 1   12    8   24 o  159.982   3.5684  256.312   11.284 5.558685 7.136768 
1 1 1   12    8   25 o   31.025   9.2647   0.3192   10.241 -6.255512 18.52937 
1 1 1   12    8   26 o   25.363   8.3874 -14.7534   10.866 -5.713640 16.77485 
1 1 1   12    8   27 o   41.756   10.439   12.618   11.918 17.92720 20.87791 
1 1 1   12    8   28 o   65.412   9.2377   46.416   11.651 -6.307476 18.47544 
1 1 1   12    8   29 f   98.321   5.9527   98.327   11.682 -0.9058762 11.90532 
1 1 1   12    8   30 o   24.534   8.2977 -20.5110   11.542 -0.9470882 16.59539 
1 1 1   12    8   31 o   26.819   8.8600 -14.4067   11.771 1.116837 17.72009 
1 1 1   12    8   32 o   50.429   10.677   27.791   11.653 5.995026 21.35389 
1 1 1   12    8   33 o   78.298   7.6396   63.042   11.913 9.408638 15.27913 
1 1 1   12    8   34 o   77.322   7.9516   61.366   12.237 10.71851 15.90327 
1 1 1   12    9    1 o  389.373   6.2938  1518.05   49.013      ?      ? 
1 1 1   12    9    2 o  582.833   8.3339  3404.66   97.146      ?      ? 
1 1 1   12    9    3 o  312.214   5.8521  975.900   36.542      ?      ? 
1 1 1   12    9    4 o  499.154   5.1596  2494.88   51.473 -6.793762 10.31914 
1 1 1   12    9    5 o  211.726   4.3512  450.055   18.265 4.349625 8.702390 
1 1 1   12    9    6 o  387.556   4.3977  1503.43   34.030 -3.617737 8.795370 
1 1 1   12    9    7 o  349.306   4.1991  1222.44   29.323 7.926025 8.398215 
1 1 1   12    9    8 o  245.575   4.2103  605.102   20.558 4.408096 8.420648 
1 1 1   12    9    9 o  159.128   5.5201  254.397   17.499 3.703644 11.04017 
1 1 1   12    9   10 o  294.138   4.1748  865.912   24.511 -3.888641 8.349615 
1 1 1   12    9   11 o  224.624   4.4638  504.065   19.970 -7.273117 8.927581 
1 1 1   12    9   12 o   66.290   12.511   46.812   16.945 7.774586 25.02297 
1 1 1   12    9   13 o  171.732   5.3577  295.354   18.296 -3.106171 10.71544 
1 1 1   12    9   14 o  221.391   4.5832  493.454   20.174 10.09889 9.166395 
1 1 1   12    9   15 o  109.982   7.1322  124.416   13.929 5.576378 14.26437 
1 1 1   12    9   16 o  317.603   3.7582  997.335   21.745 -10.28998 7.516477 
1 1 1   12    9   17 o   62.651   11.424   39.794   13.190 -5.872032 22.84733 
1 1 1   12    9   18 o  295.118   2.8406  872.543   16.764 3.912292 5.681211 
1 1 1   12    9   19 o  131.527   4.1478  173.650   10.909 -3.227310 8.295690 
1 1 1   12    9   20 o  119.240   4.4043  143.014   10.492 7.113037 8.808671 
1 1 1   12    9   21 o  109.430   4.7426  120.429   10.368 7.472816 9.485278 
1 1 1   12    9   22 f   80.295   9.9012   65.317   15.900      ?      ? 
1 1 1   12    9   23 o   86.365   6.1804   74.466   10.616 6.547577 12.36089 
1 1 1   12    9   24 o   24.016   8.0127 -15.0923   9.9916 -0.2433643 16.02540 
1 1 1   12    9   25 o  123.841   4.3317  153.527   10.679 8.171333 8.663421 
1 1 1   12    9   26 o   47.433   15.463   22.842   16.823      ?      ? 
1 1 1   12    9   27 o   58.312   10.222   36.988   11.840 -1.155663 20.44422 
1 1 1   12    9   28 o   33.326   9.9410   2.6850   11.278 2.865871 19.88203 
1 1 1   12    9   29 o   89.293   6.4911   81.281   11.512 -2.527557 12.98229 
1 1 1   12    9   30 o   82.716   6.9576   70.202   11.466 2.791588 13.91521 
1 1 1   12    9   31 f   43.817   10.614   18.407   11.378 11.13755 21.22714 
1 1 1   12    9   32 o   37.283   10.392   9.4926   11.462 5.328388 20.78302 
1 1 1   12    9   33 o   42.197   10.849   16.438   11.846 4.862408 21.69717 
1 1 1   12    9   34 o   59.379   9.9638   38.581   11.849 17.34348 19.92764 
1 1 1   12   10    1 o  280.605   5.7198  788.351   32.100      ?      ? 
1 1 1   12   10    2 o  276.539   5.8323  765.724   32.257      ?      ? 
1 1 1   12   10    3 o  292.426   5.7203  856.212   33.455      ?      ? 
1 1 1   12   10    4 o  191.869   4.4690  369.424   16.854 2.062637 8.938013 
1 1 1   12   10    5 o  207.314   4.2690  428.814   17.488 -4.874741 8.538043 
1 1 1   12   10    6 o  175.661   4.7977  309.933   16.628 2.757813 9.595469 
1 1 1   12   10    7 o  200.394   4.4532  398.609   17.657 -11.86540 8.906409 
1 1 1   12   10    8 o  257.982   4.1270  667.134   21.140 1.753052 8.253987 
1 1 1   12   10    9 o  370.664   4.3378  1376.81   32.122 1.697174 8.675531 
1 1 1   12   10   10 o  153.262   5.5652  235.064   16.839 -2.412720 11.13043 
1 1 1   12   10   11 o  280.112   4.1124  785.176   22.892 -3.044800 8.224864 
1 1 1   12   10   12 o   83.923   10.129   70.466   16.367 -24.08433 20.25870 
1 1 1   12   10   13 o  188.920   4.9688  361.065   18.554 12.73715 9.937565 
1 1 1   12   10   14 o  113.711   8.7151  129.386   17.077 -74.19622 17.43026 
1 1 1   12   10   15 o  145.483   5.5386  215.719   14.148 4.602585 11.07714 
1 1 1   12   10   16 o  382.459   3.9221  1460.78   27.672 -3.903320 7.844174 
1 1 1   12   10   17 o   81.309   9.4446   70.174   12.934 6.482025 18.88929 
1 1 1   12   10   18 o  278.406   3.6194  768.172   18.260 -7.456604 7.238758 
1 1 1   12   10   19 o   57.791   9.1251   35.486   10.294 -5.739334 18.25026 
1 1 1   12   10   20 o  321.685   2.8433  1037.28   18.293 2.071625 5.686613 
1 1 1   12   10   21 o   17.715   8.9214 -44.0150   14.379      ?      ? 
1 1 1   12   10   23 o   96.709   5.2874   95.005   10.222 -2.166054 10.57486 
1 1 1   12   10   24 o  187.610   3.0822  353.514   11.560 -3.899536 6.164492 
1 1 1   12   10   25 o   24.989   8.0819 -23.3452   10.502 -15.81341 16.16375 
1 1 1   12   10   27 o   30.822   9.5059  -3.8915   11.255 8.870638 19.01173 
1 1 1   12   10   28 o   47.166   10.545   23.148   11.149 7.294437 21.09042 
1 1 1   12   10   29 o  119.868   4.8905  143.581   11.646 15.36786 9.780902 
1 1 1   12   10   30 o   30.883   9.6425  -3.3070   11.587 0.9416199 19.28501 
1 1 1   12   10   31 o   70.917   8.5426   51.873   11.669 19.84545 17.08515 
1 1 1   12   10   32 o   42.575   10.830   17.014   11.734 5.161411 21.65953 
1 1 1   12   10   33 f   62.966   9.8510   42.860   12.059 8.596203 19.70199 
1 1 1   12   10   34 o   38.333   10.101   9.5370   11.455 16.79037 20.20099 
1 1 1   12   11    1 o  265.326   5.8458  704.987   31.021      ?      ? 
1 1 1   12   11    2 f  197.432   6.4065  390.469   25.297      ?      ? 
1 1 1   12   11    3 o  304.711   5.7969  929.823   35.327      ?      ? 
1 1 1   12   11    4 o  215.689   4.1258  467.543   17.618 5.699219 8.251525 
1 1 1   12   11    5 o  237.955   4.0457  565.322   19.091 -5.386627 8.091346 
1 1 1   12   11    6 o  198.549   4.3858  394.301   17.262 -2.275223 8.771620 
1 1 1   12   11    7 o  119.001   6.7169  141.724   15.706 -2.186119 13.43386 
1 1 1   12   11    8 o  410.984   4.5331  1692.19   37.215 -2.486481 9.066193 
1 1 1   12   11    9 o  223.462   4.2646  498.616   18.859 -5.190536 8.529196 
1 1 1   12   11   10 o  317.748   4.1502  1008.66   26.205 -8.015900 8.300402 
1 1 1   12   11   11 o   62.977   11.778   43.827   15.997 24.79481 23.55642 
1 1 1   12   11   12 o  224.641   4.5024  509.419   20.025 12.99890 9.004831 
1 1 1   12   11   13 o  198.149   4.7365  394.022   18.637 1.002213 9.473077 
1 1 1   12   11   14 o  151.572   5.7044  231.007   17.137 0.1480103E-01 11.40873 
1 1 1   12   11   15 o   43.566   11.337   16.247   12.817 5.169708 22.67329 
1 1 1   12   11   16 o  116.696   6.4583  142.727   13.090 10.19260 12.91659 
1 1 1   12   11   17 o  103.874   7.4298  120.921   12.738 22.09524 14.85969 
1 1 1   12   11   18 o  284.966   3.5791  807.557   18.590 -5.729065 7.158261 
1 1 1   12   11   19 f  173.180   4.3153  295.636   13.539 -7.554962 8.630508 
1 1 1   12   11   20 o   47.732   9.5090   23.662   10.118 -19.41734 19.01805 
1 1 1   12   11   23 o   97.681   5.0765   96.388   9.9118 -4.298607 10.15306 
1 1 1   12   11   24 o   25.888   8.3871 -12.0532   10.210 -7.106123 16.77415 
1 1 1   12   11   25 o   20.443   10.174 -40.7272   16.421      ?      ? 
1 1 1   12   11   27 o   76.249   7.6156   62.386   10.955 -20.10814 15.23117 
1 1 1   12   11   28 o   74.088   7.9634   58.702   11.037 -25.79022 15.92676 
1 1 1   12   11   29 o   55.251   10.060   33.633   11.239 9.248215 20.12014 
1 1 1   12   11   30 o   61.847   9.7129   41.774   11.678 3.422310 19.42573 
1 1 1   12   11   31 o   86.503   6.7916   77.039   11.727 7.672379 13.58322 
1 1 1   12   11   32 o   95.481   6.3717   92.874   12.078 16.36609 12.74345 
1 1 1   12   11   33 o  117.919   5.2412  140.857   12.311 14.44759 10.48240 
1 1 1   12   12    0 o  364.784   4.2141  1332.10   30.720 -4.755280 8.428121 
1 1 1   12   12    1 o  639.754   9.0736  4108.26  116.098      ?      ? 
1 1 1   12   12    2 o  429.814   6.6317  1851.15   57.008      ?      ? 
1 1 1   12   12    3 o  339.732   6.0055  1156.14   40.805      ?      ? 
1 1 1   12   12    4 o  388.473   4.3579  1510.59   33.781 -4.717133 8.715766 
1 1 1   12   12    5 o  365.989   4.2341  1341.52   30.907 -1.303680 8.468160 
1 1 1   12   12    6 o  255.502   4.0290  654.649   20.389 2.139694 8.057910 
1 1 1   12   12    7 o  132.947   6.0578  179.626   15.646 7.460892 12.11561 
1 1 1   12   12    8 o  112.634   7.0837  131.477   15.353 15.48640 14.16731 
1 1 1   12   12    9 o  240.128   4.1426  578.568   19.640 2.083237 8.285273 
1 1 1   12   12   10 o  101.005   8.1561  100.231   16.167 -12.77810 16.31227 
1 1 1   12   12   11 o  470.961   5.0157  2220.69   47.130 -12.06485 10.03144 
1 1 1   12   12   12 o  147.742   6.1163  227.102   17.434 29.22478 12.23270 
1 1 1   12   12   13 o   37.130   11.490  -4.1288   16.051 -2.020241 22.98011 
1 1 1   12   12   14 o  175.087   5.0202  310.975   17.347 11.96188 10.04038 
1 1 1   12   12   15 o  198.142   4.0225  385.440   14.309 -9.195602 8.044922 
1 1 1   12   12   16 o  197.388   4.0505  400.271   14.352 11.19264 8.101084 
1 1 1   12   12   17 o   63.271   10.745   41.165   12.278 -4.053436 21.49088 
1 1 1   12   12   18 o   54.649   11.323   30.498   12.156 -4.164959 22.64667 
1 1 1   12   12   19 o   43.027   10.732   17.189   12.208 11.90470 21.46383 
1 1 1   12   12   20 o   34.079   9.6115   4.5387   10.367 10.33213 19.22310 
1 1 1   12   12   22 o   36.331   9.6977   9.4037   10.003 -9.996510 19.39534 
1 1 1   12   12   23 o   66.598   7.5373   45.438   10.035 -1.707443 15.07459 
1 1 1   12   12   24 o   20.384   7.1007 -33.1990   10.436 -6.319033 14.20133 
1 1 1   12   12   26 o   83.962   6.6532   71.272   11.029 19.00641 13.30641 
1 1 1   12   12   27 f   31.802   9.6003   0.9178   10.829 -1.776138 19.20065 
1 1 1   12   12   28 o   22.579   7.7461 -28.5320   11.233 -5.019110 15.49219 
1 1 1   12   12   29 f   70.699   8.5110   52.582   11.767 6.434792 17.02206 
1 1 1   12   12   30 f   73.403   8.0481   56.137   11.765 -2.690048 16.09620 
1 1 1   12   12   31 o   46.219   10.803   22.247   11.714 7.430618 21.60549 
1 1 1   12   12   32 o   49.397   10.809   26.172   11.935 9.050102 21.61839 
1 1 1   12   12   33 o  122.305   4.9620  152.439   12.073 7.439392 9.923955 
1 1 1   12   13    0 o  232.012   4.1713  540.289   19.180 40.48604 8.342635 
1 1 1   12   13    1 f  375.771   4.3041  1413.74   32.314 -5.610474 8.608214 
1 1 1   12   13    2 o  624.803   8.8974  3920.00  111.183      ?      ? 
1 1 1   12   13    3 f  489.930   7.2596  2407.08   71.134      ?      ? 
1 1 1   12   13    4 o  464.771   4.8767  2163.09   45.247 -8.884552 9.753313 
1 1 1   12   13    5 o  304.407   3.9380  930.389   23.855 7.634216 7.876073 
1 1 1   12   13    6 o  345.232   4.0884  1191.31   28.087 -7.870758 8.176885 
1 1 1   12   13    7 o  421.693   4.5789  1782.45   38.567 -1.249664 9.157841 
1 1 1   12   13    8 o  309.332   4.0452  960.285   24.932 6.067322 8.090372 
1 1 1   12   13    9 o  237.744   4.1443  563.161   19.396 -7.408661 8.288683 
1 1 1   12   13   10 o  201.008   5.4881  416.962   19.065 137.0125 10.97614 
1 1 1   12   13   11 o  396.531   4.4902  1575.04   35.577 23.92822 8.980309 
1 1 1   12   13   12 f  120.799   6.8020  148.194   16.036 4.322350 13.60392 
1 1 1   12   13   13 o  171.283   4.8961  293.255   16.494 -4.663910 9.792222 
1 1 1   12   13   14 o  159.648   5.0988  252.701   16.063 -12.41066 10.19767 
1 1 1   12   13   15 o  130.093   5.5164  172.734   12.575 4.221649 11.03279 
1 1 1   12   13   16 o  227.510   3.7068  513.304   15.236 -5.832962 7.413647 
1 1 1   12   13   17 o   65.238   10.327   46.707   12.031 8.936726 20.65464 
1 1 1   12   13   18 o   79.766   8.7808   64.660   12.121 -1.715775 17.56168 
1 1 1   12   13   19 o  200.200   4.1337  402.949   14.735 -0.1738281 8.267322 
1 1 1   12   13   20 o  158.553   8.2900  252.437   26.288      ?      ? 
1 1 1   12   13   21 o   42.667   10.174   17.900   10.429 7.297749 20.34766 
1 1 1   12   13   22 o  135.937   3.9562  185.987   10.751 -4.509689 7.912389 
1 1 1   12   13   23 o   71.309   9.8582   52.001   14.059      ?      ? 
1 1 1   12   13   25 o   21.250   7.4072 -32.7245   10.748 6.474888 14.81446 
1 1 1   12   13   27 o   87.475   6.3931   77.880   11.151 -1.743652 12.78613 
1 1 1   12   13   28 o  113.191   5.1567  130.258   11.641 11.86109 10.31336 
1 1 1   12   13   29 o  119.812   4.9971  145.661   11.964 6.865746 9.994188 
1 1 1   12   13   30 o   29.547   9.3895  -6.0127   11.582 1.474897 18.77908 
1 1 1   12   13   31 o   45.644   10.876   21.522   11.821 -3.700527 21.75150 
1 1 1   12   13   32 o  124.282   5.0371  156.401   12.518 2.647652 10.07430 
1 1 1   12   13   33 o   89.093   10.796   99.454   17.714 -40.36629 21.59150 
1 1 1   12   14    0 o  195.809   4.2779  383.955   16.688 -1.521774 8.555898 
1 1 1   12   14    1 o  191.326   4.2965  365.995   16.392 -5.438904 8.593099 
1 1 1   12   14    2 o  200.407   6.5668  402.647   26.321      ?      ? 
1 1 1   12   14    3 o  150.138   8.0924  226.291   24.299      ?      ? 
1 1 1   12   14    4 o  462.054   5.1731  1055.34   28.926 -341.5303 10.34617 
1 1 1   12   14    5 o  338.872   4.8677  369.506   18.182 -368.3961 9.735405 
1 1 1   12   14    6 o   67.814   9.5410   58.342   14.591 59.78709 19.08191 
1 1 1   12   14    7 o  107.103   7.2560  119.847   14.819 16.77599 14.51195 
1 1 1   12   14    8 o  178.118   4.6737  315.719   16.445 -8.154800 9.347453 
1 1 1   12   14    9 o  264.948   3.9895  702.018   20.976 -4.321411 7.979007 
1 1 1   12   14   10 o  369.514   4.2810  1367.96   31.548 -5.306519 8.562058 
1 1 1   12   14   11 o  188.856   4.5889  359.798   17.035 5.074387 9.177848 
1 1 1   12   14   12 o  113.301   6.7288  129.898   14.899 1.848389 13.45759 
1 1 1   12   14   13 o   45.890   11.884   14.452   14.391 -16.78453 23.76711 
1 1 1   12   14   14 o  169.798   4.8219  292.762   16.062 10.03239 9.643713 
1 1 1   12   14   15 o  165.010   4.5662  279.852   13.174 8.225464 9.132441 
1 1 1   12   14   16 o  250.365   3.6396  626.423   16.367 -2.142273 7.279177 
1 1 1   12   14   17 o  119.530   5.9932  147.639   12.482 6.260521 11.98650 
1 1 1   12   14   18 o  111.342   11.488  127.369   25.583      ?      ? 
1 1 1   12   14   19 o  118.419   11.338  141.476   26.852      ?      ? 
1 1 1   12   14   20 o   69.508   9.5840   70.684   12.435 53.16745 19.16802 
1 1 1   12   14   21 o   78.813   9.1093   70.738   12.006 17.49641 18.21868 
1 1 1   12   14   22 o   81.100   6.0801   66.686   9.8210 10.14906 12.16015 
1 1 1   12   14   23 o   23.974   7.9989 -18.1023   10.273 7.215036 15.99781 
1 1 1   12   14   24 o  131.118   6.0726  172.723   15.925      ?      ? 
1 1 1   12   14   25 o   28.729   9.0397  -4.5151   10.484 0.9169884 18.07935 
1 1 1   12   14   26 o   35.589   10.034   7.2693   10.915 -4.706059 20.06868 
1 1 1   12   14   27 o  161.358   3.7412  262.437   12.071 1.021362 7.482336 
1 1 1   12   14   28 o   48.500   10.513   25.196   11.146 1.694218 21.02631 
1 1 1   12   14   29 o   37.111   10.321   9.2094   11.380 -5.077545 20.64201 
1 1 1   12   14   30 o   88.072   6.7041   79.729   11.782 8.452225 13.40825 
1 1 1   12   14   31 o   56.770   10.290   35.691   11.835 -9.730457 20.58065 
1 1 1   12   14   32 o   76.125   9.1279   64.152   12.987 -18.36826 18.25572 
1 1 1   12   15    0 o  148.396   5.2489  225.526   15.211 33.55919 10.49785 
1 1 1   12   15    1 f  199.234   4.1824  397.806   16.653 0.1428070 8.364774 
1 1 1   12   15    2 o  167.154   4.7388  279.586   15.800 -4.504242 9.477674 
1 1 1   12   15    3 o  287.485   3.8265  829.754   21.953 17.21808 7.652990 
1 1 1   12   15    4 o  135.271   5.7411  199.761   14.210 51.97271 11.48228 
1 1 1   12   15    5 o  269.341   3.8994  727.974   20.833 3.555969 7.798841 
1 1 1   12   15    6 o  220.568   4.1762  420.791   17.110 -94.44740 8.352359 
1 1 1   12   15    7 o  186.468   4.6053  300.501   15.838 -97.18288 9.210608 
1 1 1   12   15    8 o  176.735   4.7231  315.430   16.241 5.039627 9.446281 
1 1 1   12   15    9 f  125.973   6.2658  163.323   15.069 10.20029 12.53167 
1 1 1   12   15   10 o  130.816   5.9356  167.521   15.148 -15.75493 11.87120 
1 1 1   12   15   11 o  208.340   4.2950  431.201   17.588 -10.74576 8.589955 
1 1 1   12   15   12 o  347.914   4.1485  1212.66   28.753 -6.339722 8.296985 
1 1 1   12   15   13 o  209.998   4.2566  444.237   17.711 5.326752 8.513172 
1 1 1   12   15   14 o  173.027   4.7800  299.929   16.353 -4.409409 9.559962 
1 1 1   12   15   15 o  145.286   5.6518  216.214   16.062 12.34946 11.30353 
1 1 1   12   15   16 o   43.693   10.700   18.567   11.892 11.22607 21.40061 
1 1 1   12   15   17 o   22.156   7.7462 -36.1867   12.197 -0.2512665 15.49241 
1 1 1   12   15   18 f  212.096   6.9651  451.445   29.545      ?      ? 
1 1 1   12   15   19 o  202.891   7.1295  414.121   28.930      ?      ? 
1 1 1   12   15   20 o  146.576   4.8813  219.377   12.423 4.126755 9.762669 
1 1 1   12   15   21 o   59.540   10.841   36.985   11.879 -4.029503 21.68262 
1 1 1   12   15   22 o   65.105   10.428   48.811   12.112 8.437084 20.85662 
1 1 1   12   15   23 o  197.497   3.0376  389.710   11.982 13.06815 6.075157 
1 1 1   12   15   24 o   31.269   8.8318  -1.8402   10.111 -17.36780 17.66360 
1 1 1   12   15   26 o   66.647   8.6767   47.313   11.099 25.09432 17.35349 
1 1 1   12   15   27 o   75.021   7.4060   57.903   11.075 8.703415 14.81199 
1 1 1   12   15   28 o   27.987   8.8746  -9.7244   11.050 -8.911934 17.74919 
1 1 1   12   15   29 f   25.255   8.4175 -16.4351   11.180 -2.657196 16.83498 
1 1 1   12   15   30 o   28.204   9.1124 -10.8378   11.647 6.242865 18.22488 
1 1 1   12   15   31 o   88.378   6.7027   79.581   11.824 -6.526047 13.40544 
1 1 1   12   15   32 o   55.611   15.179   39.290   17.351      ?      ? 
1 1 1   12   16    0 o  284.237   3.8535  803.431   21.802 -21.20270 7.707022 
1 1 1   12   16    1 o  360.095   4.1229  1299.60   29.690 -0.1409912E-01 8.245743 
1 1 1   12   16    2 o  226.147   3.9557  510.001   17.847 -16.98735 7.911384 
1 1 1   12   16    3 o  221.669   3.4163  458.465   13.614 -33.60715 6.832567 
1 1 1   12   16    4 o   91.929   7.2978   82.405   13.197 -19.82495 14.59561 
1 1 1   12   16    5 o  110.225   6.1838  120.746   13.429 -7.425713 12.36753 
1 1 1   12   16    6 o  121.869   6.0728  158.510   13.898 29.97843 12.14563 
1 1 1   12   16    7 o  117.063   6.1774  143.312   13.776 17.98045 12.35486 
1 1 1   12   16    8 o  227.726   3.9083  524.041   17.543 11.09898 7.816695 
1 1 1   12   16    9 o  144.666   5.3271  209.305   14.772 -2.442932 10.65427 
1 1 1   12   16   10 f  205.333   4.2429  419.957   16.995 -6.642426 8.485725 
1 1 1   12   16   11 o  119.260   6.3313  140.857   14.811 -10.54993 12.66251 
1 1 1   12   16   12 o   94.735   7.9069   91.572   14.630 2.735542 15.81375 
1 1 1   12   16   13 o  144.137   5.5464  211.706   15.678 8.800522 11.09276 
1 1 1   12   16   14 f  198.770   4.4704  395.318   17.560 -6.422241 8.940784 
1 1 1   12   16   15 o   38.708   11.538   2.9220   14.985 -4.722420 23.07558 
1 1 1   12   16   16 f   25.781   12.758 -53.8664   24.452      ?      ? 
1 1 1   12   16   17 o  295.623   6.2100  876.224   36.716      ?      ? 
1 1 1   12   16   18 o   29.018   9.0840 -12.1807   12.208 9.959129 18.16790 
1 1 1   12   16   19 o   68.549   10.098   53.922   11.745 13.94580 20.19552 
1 1 1   12   16   20 o   34.760   10.605  -1.4648   11.767 -14.50245 21.21059 
1 1 1   12   16   21 o   31.040   14.692 -23.4967   24.428      ?      ? 
1 1 1   12   16   22 o  102.477   13.081  106.659   26.810      ?      ? 
1 1 1   12   16   24 o  113.889   4.8170  130.649   10.934 11.36993 9.634048 
1 1 1   12   16   25 o  149.367   5.6987  224.557   17.024      ?      ? 
1 1 1   12   16   26 o   82.437   6.6830   69.586   10.956 12.21495 13.36603 
1 1 1   12   16   27 f   88.264   6.3840   80.640   11.131 -7.494987 12.76809 
1 1 1   12   16   28 o   30.856   9.4322  -2.2723   11.133 -7.134575 18.86435 
1 1 1   12   16   29 o   43.840   10.687   19.375   11.399 -1.766125 21.37396 
1 1 1   12   16   30 o   55.557   10.246   34.077   11.608 -9.270023 20.49206 
1 1 1   12   16   31 o   32.941   9.9666   0.8837   11.804 2.684778 19.93318 
1 1 1   12   17    0 o  180.688   4.2481  326.481   15.292 -6.610321 8.496212 
1 1 1   12   17    1 o  342.533   4.0100  1173.64   27.404 -12.73798 8.020083 
1 1 1   12   17    2 o  153.210   4.8274  237.573   14.680 15.63875 9.654885 
1 1 1   12   17    3 o  157.098   4.0908  251.338   11.325 5.307190 8.181687 
1 1 1   12   17    4 o  266.869   3.6793  716.706   19.528 10.51517 7.358596 
1 1 1   12   17    5 o  261.456   3.7090  684.739   19.189 -1.795959 7.417994 
1 1 1   12   17    6 o  178.529   4.1563  320.076   14.540 0.9240570 8.312507 
1 1 1   12   17    7 o   79.624   8.8809   68.330   12.981 15.23301 17.76177 
1 1 1   12   17    8 o   61.906   10.828   39.175   12.990 -10.16698 21.65570 
1 1 1   12   17    9 o  188.358   4.2294  357.604   15.568 3.764740 8.458723 
1 1 1   12   17   10 o  309.190   3.9083  960.264   24.088 3.487122 7.816556 
1 1 1   12   17   11 o   89.423   8.0399   78.815   14.120 -14.55915 16.07970 
1 1 1   12   17   12 o  134.263   5.6345  182.107   14.846 0.8768311 11.26909 
1 1 1   12   17   13 o  226.508   4.0652  513.446   18.183 -5.499619 8.130380 
1 1 1   12   17   14 o   57.335   12.002   35.384   14.593 3.591068 24.00449 
1 1 1   12   17   15 o  157.704   5.6113  255.860   17.123 12.29842 11.22261 
1 1 1   12   17   16 o  348.065   6.4186  1214.47   44.682      ?      ? 
1 1 1   12   17   17 o   51.265   11.277   29.233   12.529 11.33796 22.55461 
1 1 1   12   17   18 o  127.494   5.6066  164.494   12.208 0.7099915 11.21319 
1 1 1   12   17   19 o  126.162   5.6770  166.046   12.137 8.093292 11.35391 
1 1 1   12   17   20 o   40.647   9.1082   14.519   11.829 28.00139 18.21634 
1 1 1   12   17   21 f  190.943   4.2282  324.581   14.140 -43.62834 8.456453 
1 1 1   12   17   23 o   77.752   10.389   71.727   13.347 19.13807 20.77878 
1 1 1   12   17   24 o  155.606   5.0383  226.483   14.420 -28.38310 10.07660 
1 1 1   12   17   25 o   23.001   7.8471 -22.2901   10.834 -1.115238 15.69429 
1 1 1   12   17   26 o   59.295   9.3936   38.721   10.857 -8.449146 18.78722 
1 1 1   12   17   27 o   48.970   10.467   25.741   11.136 6.430473 20.93410 
1 1 1   12   17   28 o   55.207   9.8428   34.404   11.448 -22.51916 19.68562 
1 1 1   12   17   29 o  104.784   5.7263  112.219   11.983 -1.594856 11.45261 
1 1 1   12   17   30 o  135.857   6.4908  186.637   17.636      ?      ? 
1 1 1   12   18    0 o  231.581   3.7577  538.120   17.359 21.37231 7.515480 
1 1 1   12   18    1 o  187.634   4.0591  354.618   15.167 11.86168 8.118160 
1 1 1   12   18    2 o  371.337   4.1551  1383.00   30.853 9.705688 8.310299 
1 1 1   12   18    3 o  262.962   3.2261  702.842   15.616 10.08615 6.452218 
1 1 1   12   18    4 o  164.901   3.8760  276.162   11.267 4.674896 7.751904 
1 1 1   12   18    5 o  318.355   3.8174  1016.35   24.206 -0.7057800 7.634732 
1 1 1   12   18    6 o  383.611   4.2025  1477.04   32.194 -1.130798 8.405099 
1 1 1   12   18    7 o  218.247   3.8357  479.638   16.505 4.955917 7.671323 
1 1 1   12   18    8 o  199.282   3.9821  400.722   15.601 6.024200 7.964219 
1 1 1   12   18    9 o  194.995   4.0518  381.470   15.549 -1.104965 8.103521 
1 1 1   12   18   10 o  221.135   3.8215  491.720   16.798 2.753067 7.642937 
1 1 1   12   18   11 o  307.311   3.8239  949.291   23.480 8.738495 7.647779 
1 1 1   12   18   12 o  175.233   4.3476  312.304   15.045 16.45425 8.695214 
1 1 1   12   18   14 o  173.444   5.1045  271.365   16.733 -73.85025 10.20898 
1 1 1   12   18   15 o  446.944   5.1065  1555.36   39.364 209.4335 10.21300 
1 1 1   12   18   16 o  183.002   5.0158  340.495   17.582 2.994965 10.03167 
1 1 1   12   18   17 o  156.990   4.6430  238.702   12.701 -11.89362 9.285974 
1 1 1   12   18   18 f  165.488   4.4862  275.018   12.826 -0.6517334 8.972458 
1 1 1   12   18   19 f  149.081   5.3219  247.660   13.011 26.49666 10.64390 
1 1 1   12   18   20 o  207.618   7.0007  433.023   29.069      ?      ? 
1 1 1   12   18   21 f  190.053   4.6238  379.871   15.330 17.35266 9.247551 
1 1 1   12   18   22 o  175.882   4.8011  310.338   14.975 -2.877502 9.602197 
1 1 1   12   18   23 o  145.213   5.6776  217.802   14.381 6.475662 11.35517 
1 1 1   12   18   24 o   28.915   9.6824 -17.3846   13.615 -3.576389 19.36480 
1 1 1   12   18   25 o   42.743   11.837   13.640   13.637 -4.837112 23.67402 
1 1 1   12   18   26 f   39.980   9.9802   11.859   10.917 19.04094 19.96038 
1 1 1   12   18   27 o   73.125   7.7498   55.560   11.311 6.302147 15.49966 
1 1 1   12   18   28 o   47.009   9.9000   20.389   11.820 29.36185 19.80004 
1 1 1   12   18   29 o   68.185   8.8945   49.626   11.759 14.72561 17.78894 
1 1 1   12   18   30 o   78.682   10.064   65.900   15.837      ?      ? 
1 1 1   12   19    0 o  215.225   3.7717  464.692   16.182 -0.1795349 7.543393 
1 1 1   12   19    1 o  221.167   3.7220  491.915   16.419 16.52509 7.444011 
1 1 1   12   19    2 o  230.794   3.6566  534.290   16.827 -0.5303955E-01 7.313138 
1 1 1   12   19    3 o  142.475   4.2819  220.106   10.570 24.93272 8.563737 
1 1 1   12   19    4 o  285.562   3.2434  820.148   16.975 2.594452 6.486820 
1 1 1   12   19    5 o  156.386   3.9839  256.680   10.860 15.36441 7.967809 
1 1 1   12   19    6 o  163.748   4.2088  270.059   13.483 2.079391 8.417674 
1 1 1   12   19    7 o   90.886   6.9408   81.465   12.359 -11.73504 13.88165 
1 1 1   12   19    8 o   34.844   10.416   1.9536   12.259 -2.782127 20.83284 
1 1 1   12   19    9 o   29.542   9.5088 -10.0543   12.310 0.1772461 19.01751 
1 1 1   12   19   10 o  119.010   5.4111  143.018   12.670 0.6483231 10.82224 
1 1 1   12   19   11 f  193.185   3.9946  380.620   15.182 18.18073 7.989277 
1 1 1   12   19   12 o  218.430   3.9876  459.868   16.915 -35.67043 7.975132 
1 1 1   12   19   13 o  258.997   4.2295  496.394   18.807 -156.3378 8.459011 
1 1 1   12   19   14 o  242.367   4.1708  593.435   19.924 9.713959 8.341613 
1 1 1   12   19   15 o   34.425   10.693  -3.2236   14.226 1.443726 21.38502 
1 1 1   12   19   16 o   86.030   8.5638   73.261   14.334 -13.67388 17.12770 
1 1 1   12   19   17 o  223.339   3.7718  503.841   15.042 2.667435 7.543522 
1 1 1   12   19   18 o   45.716   18.150   17.396   24.716      ?      ? 
1 1 1   12   19   19 o  370.076   6.4139  1374.68   47.472      ?      ? 
1 1 1   12   19   21 o   87.706   9.0664   82.819   13.238 5.972183 18.13284 
1 1 1   12   19   22 o  106.968   7.3683  116.716   13.900 0.9220886E-01 14.73666 
1 1 1   12   19   23 o  161.732   5.0330  262.105   14.730 -3.621109 10.06604 
1 1 1   12   19   24 o   85.680   8.7512   72.555   13.727 -9.623062 17.50245 
1 1 1   12   19   25 o   71.808   10.571   58.506   13.548 11.26952 21.14249 
1 1 1   12   19   26 o   47.038   11.458   23.615   13.675 12.14529 22.91654 
1 1 1   12   19   27 o   62.179   9.3973   42.184   11.370 13.34031 18.79461 
1 1 1   12   19   28 o   83.599   7.0537   71.580   11.716 -13.11069 14.10738 
1 1 1   12   19   29 o   42.090   10.442   17.355   11.008 6.608463 20.88321 
1 1 1   12   20    0 o  140.580   4.5655  201.812   12.614 14.90320 9.130932 
1 1 1   12   20    1 o  136.789   4.6388  187.144   12.598 -6.428696 9.277555 
1 1 1   12   20    2 o  104.822   5.0564  108.286   9.3634 -4.485657 10.11275 
1 1 1   12   20    3 o  119.573   4.5473  140.732   9.5291 -5.004547 9.094700 
1 1 1   12   20    4 o  167.893   3.6077  278.490   10.677 -5.288254 7.215392 
1 1 1   12   20    5 o  177.185   3.5146  312.857   10.959 -2.326904 7.029131 
1 1 1   12   20    6 o  232.059   3.2050  545.157   13.330 5.227600 6.409976 
1 1 1   12   20    7 o  208.656   3.6844  436.450   15.073 -1.579071 7.368732 
1 1 1   12   20    8 o  147.760   4.5391  217.658   13.013 -5.823044 9.078163 
1 1 1   12   20    9 o   58.315   10.696   37.689   12.447 6.935177 21.39100 
1 1 1   12   20   10 o  157.013   5.2008  199.185   13.640 -127.1688 10.40152 
1 1 1   12   20   11 o  406.377   4.6500  1002.34   27.003 -253.7452 9.300072 
1 1 1   12   20   12 o  156.705   5.0393  233.852   15.359 -37.10591 10.07863 
1 1 1   12   20   13 o  173.022   4.6415  300.952   15.816 -6.161728 9.283061 
1 1 1   12   20   14 o   56.943   11.388   35.526   13.527 6.492458 22.77650 
1 1 1   12   20   15 o   39.510   10.628   8.2105   13.216 16.28044 21.25519 
1 1 1   12   20   16 o   24.845   8.5385 -31.7203   13.530 1.326633 17.07697 
1 1 1   12   20   18 f  148.578   4.6475  228.275   12.442 10.74080 9.294929 
1 1 1   12   20   19 o  124.802   6.3536  176.783   13.140 28.70393 12.70724 
1 1 1   12   20   20 o   30.870   9.9812  -8.0538   12.823 -2.945879 19.96244 
1 1 1   12   20   21 o  178.769   4.4841  313.380   14.551 -11.17274 8.968140 
1 1 1   12   20   22 o   65.270   10.233   55.796   13.079 35.51645 20.46564 
1 1 1   12   20   23 o  148.335   5.1970  229.426   14.015 11.29482 10.39397 
1 1 1   12   20   24 o   58.910   11.476   38.832   13.432 2.643490 22.95217 
1 1 1   12   20   25 o   58.095   11.696   35.984   13.416 -8.263062 23.39244 
1 1 1   12   20   26 f   68.490   10.825   46.934   13.486 -17.91982 21.65010 
1 1 1   12   20   27 o   54.058   12.084   31.114   13.711 -1.387623 24.16717 
1 1 1   12   20   28 o   73.334   10.624   55.613   15.582      ?      ? 
1 1 1   12   21    0 o  153.354   4.3540  242.087   12.952 17.99448 8.707948 
1 1 1   12   21    1 o  272.703   3.5820  737.538   19.267 -18.96613 7.163904 
1 1 1   12   21    2 f  277.575   3.1761  759.601   15.649 -9.929321 6.352216 
1 1 1   12   21    3 o  115.965   5.0457  138.799   9.6110 5.415535 10.09148 
1 1 1   12   21    4 o  145.480   4.0755  204.838   10.138 -10.13899 8.150949 
1 1 1   12   21    5 o  110.822   5.0990  108.845   10.028 -28.91187 10.19798 
1 1 1   12   21    6 o   53.894   8.4371   15.961   10.057 -54.58720 16.87415 
1 1 1   12   21    7 o  130.658   4.7958  185.093   10.566 20.51401 9.591610 
1 1 1   12   21    8 o  213.709   3.6795  444.937   15.266 -23.31789 7.358931 
1 1 1   12   21    9 o  204.064   3.7783  407.429   15.014 -19.79831 7.556655 
1 1 1   12   21   10 o   69.659   7.6540   66.124   12.995 83.34756 15.30808 
1 1 1   12   21   11 o   98.738   7.0410  103.127   13.229 11.92986 14.08207 
1 1 1   12   21   12 o  131.139   5.3328  173.591   13.526 -0.4324188 10.66558 
1 1 1   12   21   13 o   27.810   9.2130 -16.7462   12.510 -5.329311 18.42599 
1 1 1   12   21   14 o   87.048   7.8364   80.092   13.079 11.82804 15.67279 
1 1 1   12   21   15 o  194.465   4.0822  390.571   15.547 21.69591 8.164460 
1 1 1   12   21   16 f  165.119   4.2825  277.145   13.823 11.39505 8.565004 
1 1 1   12   21   17 o  146.540   8.7113  260.061   15.187 196.8044 17.42256 
1 1 1   12   21   18 o   25.064   8.5664 -25.4019   10.939 -13.48071 17.13289 
1 1 1   12   21   19 o   59.081   10.097   44.114   11.987 26.73392 20.19472 
1 1 1   12   21   20 o  115.847   6.3748  142.400   12.715 11.48136 12.74968 
1 1 1   12   21   21 o   50.364   11.985   23.490   12.950 -15.46623 23.97043 
1 1 1   12   21   22 o   60.768   11.172   42.629   12.917 9.775749 22.34440 
1 1 1   12   21   23 o  181.255   4.4804  330.309   14.742 -2.039032 8.960780 
1 1 1   12   21   24 o  102.128   7.5186  110.351   13.849 6.449417 15.03727 
1 1 1   12   21   25 f  112.939   7.0219  136.088   13.958 10.67815 14.04375 
1 1 1   12   21   26 o   97.087   7.9372   94.916   13.658 -4.428429 15.87432 
1 1 1   12   21   27 o   94.621   7.6076   90.979   12.883 -2.172195 15.21514 
1 1 1   12   22    0 o  153.415   4.5994  232.923   13.917 -12.43610 9.198835 
1 1 1   12   22    1 o  158.119   4.5880  254.608   14.212 13.45386 9.175965 
1 1 1   12   22    2 o  304.638   3.3706  975.382   19.223 49.83786 6.741139 
1 1 1   12   22    3 o  223.571   6.0257  501.116   26.943      ?      ? 
1 1 1   12   22    4 o  306.173   3.4068  945.833   18.672 5.418945 6.813587 
1 1 1   12   22    5 o  290.783   5.6602  847.146   32.918      ?      ? 
1 1 1   12   22    6 o  124.599   8.4974  156.087   21.175      ?      ? 
1 1 1   12   22    7 o  133.554   4.5992  182.832   10.213 5.067749 9.198461 
1 1 1   12   22    8 o  199.592   3.4551  390.949   11.873 -9.140564 6.910249 
1 1 1   12   22    9 o  103.515   6.1948  113.189   11.871 12.50811 12.38955 
1 1 1   12   22   10 o  163.504   4.3215  269.063   13.560 -0.1265411 8.643016 
1 1 1   12   22   11 o  148.502   4.6164  225.782   13.166 8.743225 9.232812 
1 1 1   12   22   12 o   57.593   10.553   36.284   12.053 3.216682 21.10529 
1 1 1   12   22   13 o  157.645   4.7375  265.130   14.248 39.52371 9.474916 
1 1 1   12   22   14 o  251.744   3.6582  635.988   18.273 0.5751190 7.316344 
1 1 1   12   22   15 o  207.302   3.6934  427.399   15.003 -8.429657 7.386851 
1 1 1   12   22   16 o   32.610   9.8320  -0.1104   11.792 6.183683 19.66410 
1 1 1   12   22   17 o   29.341   9.5517 -11.9475   12.911 -1.189909 19.10333 
1 1 1   12   22   18 o  110.379   6.2100  125.377   12.196 3.088318 12.42001 
1 1 1   12   22   19 o   66.556   10.390   48.868   12.325 8.585995 20.78000 
1 1 1   12   22   20 o   83.966   9.1506   81.123   12.369 16.08665 18.30126 
1 1 1   12   22   21 o  142.296   5.2501  209.769   13.041 7.124100 10.50022 
1 1 1   12   22   22 o  103.540   6.8576  105.405   12.729 -9.080345 13.71517 
1 1 1   12   22   23 o   41.224   11.268   14.125   12.733 0.5971718 22.53667 
1 1 1   12   22   24 o   60.670   11.664   37.061   13.415 -15.54688 23.32899 
1 1 1   12   22   25 o   88.512   8.5918   75.285   13.817 -15.14542 17.18358 
1 1 1   12   22   26 o  141.945   5.4174  196.257   13.644 -11.77698 10.83481 
1 1 1   12   23    0 o   43.756   10.146   11.521   12.466 -30.19969 20.29239 
1 1 1   12   23    1 o   60.154   8.8795   32.670   12.017 -53.44623 17.75905 
1 1 1   12   23    2 o   46.869   10.745   17.847   11.974 -24.86197 21.48939 
1 1 1   12   23    3 o   66.687   9.2631   57.598   11.387 38.95982 18.52628 
1 1 1   12   23    4 o   36.937   8.8056   14.101   8.4186 13.10391 17.61112 
1 1 1   12   23    5 o  135.843   4.2023  194.206   9.3185 11.29190 8.404670 
1 1 1   12   23    6 o   56.195   8.9333   37.406   8.5099 15.01241 17.86656 
1 1 1   12   23    7 o   96.161   5.8632   98.911   9.1365 10.16901 11.72638 
1 1 1   12   23    8 o   79.539   7.1136   65.413   9.4212 2.764587 14.22719 
1 1 1   12   23    9 o  125.567   4.8693  168.219   10.118 13.82359 9.738631 
1 1 1   12   23   10 o  205.426   3.8629  424.299   15.538 -2.767136 7.725776 
1 1 1   12   23   11 o   69.055   9.6601   50.905   12.453 -8.867584 19.32014 
1 1 1   12   23   12 o  214.409   3.7612  455.785   15.861 -13.04268 7.522493 
1 1 1   12   23   13 o  100.822   6.2219  101.145   12.409 -8.647087 12.44385 
1 1 1   12   23   15 o   72.926   9.0839   61.447   12.121 29.08946 18.16778 
1 1 1   12   23   16 o   52.991   11.116   30.905   13.387 17.81922 22.23214 
1 1 1   12   23   17 o  109.746   6.8784  126.016   14.690 22.32165 13.75685 
1 1 1   12   23   18 o   45.951   11.313   17.331   14.819 22.00743 22.62535 
1 1 1   12   23   19 o  117.309   5.9027  143.783   12.044 7.024857 11.80542 
1 1 1   12   23   20 o   35.735   10.656   4.4091   11.989 -5.393135 21.31180 
1 1 1   12   23   21 o   80.233   8.4590   62.361   12.428 -13.12727 16.91791 
1 1 1   12   23   22 o   33.829   10.527  -0.5956   12.301 -7.376049 21.05426 
1 1 1   12   23   23 o   90.904   7.8912   83.930   12.796 -3.017441 15.78246 
1 1 1   12   23   24 o   94.123   7.6501   90.961   12.805 0.3163681 15.30013 
1 1 1   12   23   25 o   83.403   7.9315   68.311   11.782 -8.428764 15.86303 
1 1 1   12   24    0 o   84.241   6.4488   71.398   10.666 -4.568176 12.89763 
1 1 1   12   24    1 o  198.666   3.5348  395.943   13.883 -2.524429 7.069559 
1 1 1   12   24    2 o  151.362   4.0450  231.193   11.995 1.888214 8.090049 
1 1 1   12   24    3 o  113.481   5.0785  131.851   11.144 6.487068 10.15700 
1 1 1   12   24    4 o   68.534   8.3675   49.303   10.740 2.823631 16.73492 
1 1 1   12   24    5 o   77.725   7.3181   69.547   8.5590 17.05090 14.63614 
1 1 1   12   24    6 o  103.091   5.2368  109.539   9.1266 4.162079 10.47353 
1 1 1   12   24    7 o  163.832   3.6406  274.410   10.381 4.959274 7.281292 
1 1 1   12   24    8 o   99.134   5.5253   89.559   9.7340 -22.93329 11.05052 
1 1 1   12   24    9 o  221.818   3.3841  503.469   13.257 9.959869 6.768150 
1 1 1   12   24   10 f  158.199   3.9774  238.453   10.596 -14.27199 7.954741 
1 1 1   12   24   11 o  160.421   5.1980  296.065   14.211 92.57705 10.39592 
1 1 1   12   24   13 o  102.428   5.9111  110.231   11.651 14.97375 11.82229 
1 1 1   12   24   14 o  120.372   5.2113  149.402   12.227 9.195267 10.42252 
1 1 1   12   24   15 o  130.849   5.1201  173.390   13.268 0.8277435 10.24011 
1 1 1   12   24   16 o  118.681   5.8562  142.794   13.848 -0.9414444 11.71248 
1 1 1   12   24   17 o   52.953   11.383   31.311   13.880 16.89261 22.76674 
1 1 1   12   24   18 f   88.860   7.9812   80.342   14.050 -16.23997 15.96249 
1 1 1   12   24   19 o  121.327   6.1894  150.919   14.819 1.615593 12.37871 
1 1 1   12   24   20 o   56.447   11.162   34.747   12.095 -0.6122475 22.32378 
1 1 1   12   24   21 o  101.700   7.0554  109.269   12.456 6.402283 14.11078 
1 1 1   12   24   22 f   55.912   11.254   27.660   12.694 -29.40546 22.50735 
1 1 1   12   24   23 f   85.986   8.1469   73.410   12.703 -7.024216 16.29379 
1 1 1   12   24   24 o   65.656   9.9529   45.859   11.264 1.085304 19.90575 
1 1 1   12   25    0 o  237.946   3.5506  572.119   16.834 -1.349213 7.101261 
1 1 1   12   25    1 o  145.157   4.3294  210.753   12.434 -14.83942 8.658881 
1 1 1   12   25    2 o  168.092   3.8894  280.178   12.928 -21.82872 7.778760 
1 1 1   12   25    3 o   41.517   10.333   12.270   11.499 -20.75426 20.66524 
1 1 1   12   25    4 o  120.982   4.3576  137.691   8.8481 -14.04465 8.715245 
1 1 1   12   25    5 o  219.834   3.1429  498.343   12.040 13.45834 6.285792 
1 1 1   12   25    6 o  162.447   6.2619  264.838   20.345      ?      ? 
1 1 1   12   25    7 o  230.695   3.0973  549.872   12.641 16.08018 6.194668 
1 1 1   12   25    8 o   96.494   10.119   94.758   19.529      ?      ? 
1 1 1   12   25    9 o   48.589   8.3601   32.500   7.9795 26.93436 16.72029 
1 1 1   12   25   10 o  129.011   4.2677  161.496   8.5821 -7.361572 8.535472 
1 1 1   12   25   11 o   75.699   7.4288   61.168   8.7428 5.249985 14.85769 
1 1 1   12   25   12 o   20.758   7.3289 -37.6069   11.016 -6.613323 14.65774 
1 1 1   12   25   13 o  134.161   4.8224  191.655   12.163 27.90829 9.644847 
1 1 1   12   25   14 o   92.080   6.6002   82.645   11.852 -17.81696 13.20045 
1 1 1   12   25   15 o   27.882   9.1198 -21.3174   11.914 -16.32635 18.23968 
1 1 1   12   25   16 o  177.533   4.0747  316.095   14.144 -4.739731 8.149375 
1 1 1   12   25   17 o  126.341   5.5490  160.654   13.795 -8.187149 11.09807 
1 1 1   12   25   18 o  138.956   5.2451  194.146   14.254 -6.755417 10.49029 
1 1 1   12   25   19 o  179.881   4.4501  323.185   15.503 -9.904907 8.900119 
1 1 1   12   25   20 o  118.599   5.9842  148.507   12.207 9.348618 11.96844 
1 1 1   12   25   21 o  129.848   5.5588  173.433   12.785 3.717171 11.11753 
1 1 1   12   25   22 o  112.172   6.0219  123.936   12.025 -7.190529 12.04390 
1 1 1   12   25   23 o   57.559   10.266   34.338   10.337 -7.040421 20.53212 
1 1 1   12   26    0 f   77.557   8.8151   70.612   12.161 58.28914 17.63017 
1 1 1   12   26    1 o   84.294   7.4372   73.895   12.168 23.46718 14.87449 
1 1 1   12   26    2 o  114.470   4.5147  126.418   8.8510 -9.034927 9.029321 
1 1 1   12   26    3 o   60.804   8.5224   51.248   8.3309 32.87914 17.04482 
1 1 1   12   26    4 o  194.862   3.1853  390.924   10.580 9.602066 6.370680 
1 1 1   12   26    5 o  110.879   4.5571  124.871   8.2418 1.472580 9.114227 
1 1 1   12   26    6 o   44.185   9.0329   13.181   7.7726 -30.61810 18.06570 
1 1 1   12   26    7 o  155.068   3.5129  241.389   9.0698 -0.2903137 7.025789 
1 1 1   12   26    8 o  148.236   3.7405  220.812   9.1457 -0.2536163 7.480961 
1 1 1   12   26    9 o   89.810   5.6858   75.833   8.3819 -11.30926 11.37154 
1 1 1   12   26   10 o   66.187   8.6677   55.976   8.9352 26.54362 17.33548 
1 1 1   12   26   11 o  114.546   8.3731  133.022   19.182      ?      ? 
1 1 1   12   26   12 o  176.238   3.5089  310.035   10.674 -2.259781 7.017763 
1 1 1   12   26   13 o   58.788   10.119   35.897   11.435 -15.56658 20.23783 
1 1 1   12   26   14 o   60.307   10.026   39.644   11.503 0.9691467 20.05142 
1 1 1   12   26   15 o   54.389   10.537   33.500   11.715 7.891724 21.07442 
1 1 1   12   26   16 o   48.279   10.710   25.926   12.011 13.02066 21.41912 
1 1 1   12   26   17 o  119.552   5.6999  144.053   12.988 -4.644333 11.39978 
1 1 1   12   26   18 o   52.765   11.440   30.430   12.745 -0.7621117 22.87914 
1 1 1   12   26   19 o   98.550   6.9929   94.205   13.295 -22.18936 13.98582 
1 1 1   12   26   20 o  110.521   6.5468  121.310   14.126 -14.05526 13.09354 
1 1 1   12   26   21 o   72.122   9.4504   56.351   11.547 5.439407 18.90070 
1 1 1   12   26   22 o   28.101   13.420 -11.9800   20.967      ?      ? 
1 1 1   12   27    0 o  112.462   5.3305  127.594   11.788 -28.73638 10.66097 
1 1 1   12   27    1 o  108.134   5.3881  118.570   11.580 -3.433380 10.77612 
1 1 1   12   27    2 o   51.354   15.715   28.795   17.648      ?      ? 
1 1 1   12   27    3 f   32.245   8.8572   7.6965   8.1158 4.813581 17.71431 
1 1 1   12   27    4 f   45.183   9.1418   23.882   8.3610 11.43195 18.28350 
1 1 1   12   27    5 o   77.327   6.6522   58.357   8.5213 -5.533981 13.30449 
1 1 1   12   27    6 o  188.723   3.3394  364.226   10.633 6.687531 6.678871 
1 1 1   12   27    7 o  138.848   4.1018  202.461   8.8871 10.29988 8.203658 
1 1 1   12   27    8 o  166.961   3.4224  253.018   9.0799 -26.06326 6.844792 
1 1 1   12   27    9 o   35.300   9.1327  -9.7570   8.4382 -37.79900 18.26545 
1 1 1   12   27   10 o  236.471   3.1649  560.757   12.890 -1.240570 6.329863 
1 1 1   12   27   11 f  145.618   4.0219  214.359   9.4519 1.181564 8.043778 
1 1 1   12   27   12 o  172.997   3.5351  286.959   10.252 -14.47816 7.070280 
1 1 1   12   27   13 o   86.891   6.2347   70.192   9.1076 -13.84775 12.46942 
1 1 1   12   27   14 o  168.852   4.0460  291.835   12.965 8.112503 8.091968 
1 1 1   12   27   15 o   83.562   7.3539   68.988   11.627 -11.05643 14.70780 
1 1 1   12   27   16 o   47.374   10.991   24.242   11.829 4.030521 21.98162 
1 1 1   12   27   17 o  145.834   4.7424  212.912   13.217 -5.666245 9.484725 
1 1 1   12   27   18 o   96.567   6.9027   91.651   12.743 -13.56805 13.80534 
1 1 1   12   27   19 o  101.023   6.4411  102.877   11.874 -2.377823 12.88221 
1 1 1   12   27   20 o   62.026   9.6671   39.301   10.373 -8.130463 19.33416 
1 1 1   12   28    0 o  206.667   3.7364  430.102   15.425 5.710220 7.472888 
1 1 1   12   28    1 o  168.803   3.5772  286.198   10.245 0.1434174 7.154361 
1 1 1   12   28    2 o  172.455   4.0824  301.173   13.919 6.664169 8.164752 
1 1 1   12   28    3 o  140.476   4.1993  212.011   9.3949 16.32890 8.398538 
1 1 1   12   28    4 f  151.602   3.8407  221.237   9.5880 -11.42471 7.681425 
1 1 1   12   28    5 o  134.661   4.3117  182.413   9.2359 -0.4964600 8.623468 
1 1 1   12   28    6 o  114.087   4.8686  125.315   8.6786 -8.687233 9.737141 
1 1 1   12   28    7 o  139.406   4.1485  191.422   8.8261 -4.564056 8.297033 
1 1 1   12   28    8 o  307.578   3.3041  953.320   18.105 2.023071 6.608239 
1 1 1   12   28    9 o  131.994   4.2989  174.806   8.6177 -0.5842590 8.597716 
1 1 1   12   28   10 o  110.518   5.0761  128.855   8.3531 7.649696 10.15225 
1 1 1   12   28   11 o   32.036   9.4626  -2.6796   8.1711 -23.25230 18.92511 
1 1 1   12   28   12 o   35.041   9.0759   11.393   8.3017 7.289501 18.15173 
1 1 1   12   28   13 o   86.271   6.5035   78.467   8.4513 4.922585 13.00700 
1 1 1   12   28   14 o  108.371   5.3516  125.452   8.9617 9.814514 10.70321 
1 1 1   12   28   15 o   65.468   8.8675   53.296   8.9068 21.02145 17.73494 
1 1 1   12   28   16 o  101.624   5.8585  101.994   10.944 -7.531769 11.71700 
1 1 1   12   28   17 o  123.254   5.1879  151.092   11.081 -3.851387 10.37583 
1 1 1   12   28   18 o   89.203   6.9297   82.103   9.9836 1.839951 13.85938 
1 1 1   12   29    0 f  187.696   3.9966  358.173   14.862 13.82513 7.993104 
1 1 1   12   29    1 o  167.080   4.2899  281.805   14.085 -0.3251801 8.579861 
1 1 1   12   29    2 o  323.844   3.3762  1036.58   19.413 -11.60248 6.752323 
1 1 1   12   29    3 o  213.015   3.3677  468.395   12.191 11.26886 6.735354 
1 1 1   12   29    4 o   87.582   7.0261   81.617   10.682 7.534103 14.05227 
1 1 1   12   29    5 o  114.391   5.0331  133.266   8.6832 1.642143 10.06618 
1 1 1   12   29    6 o  190.929   3.3501  349.915   10.141 -13.87047 6.700228 
1 1 1   12   29    7 o  173.299   3.5780  303.337   9.6984 1.466629 7.156047 
1 1 1   12   29    8 o  165.324   3.6060  273.807   9.1868 -0.7651215 7.211981 
1 1 1   12   29    9 o  113.796   4.7348  122.893   8.0474 -10.10810 9.469645 
1 1 1   12   29   10 o  158.000   3.7013  254.922   8.9425 3.808533 7.402637 
1 1 1   12   29   11 o   59.640   8.1500   28.482   7.2830 -24.37985 16.30007 
1 1 1   12   29   12 o  121.069   4.3202  140.837   7.8761 -8.391167 8.640331 
1 1 1   12   29   13 o   89.571   5.7083   77.815   7.9069 -6.032219 11.41663 
1 1 1   12   29   14 o   83.577   6.5256   73.577   8.0051 5.003632 13.05114 
1 1 1   12   29   15 o  145.293   4.0351  213.586   8.9952 1.555313 8.070250 
1 1 1   12   29   16 o  126.405   4.8151  135.425   8.6794 -29.24484 9.630163 
1 1 1   12   30    0 o  206.900   3.7778  432.123   15.421 0.8087463 7.555594 
1 1 1   12   30    1 o  200.825   3.3729  415.789   11.181 9.337616 6.745811 
1 1 1   12   30    2 o  287.213   3.2285  821.023   16.307 -5.936127 6.457035 
1 1 1   12   30    3 o  216.194   3.2756  468.569   11.729 -0.8960571 6.551162 
1 1 1   12   30    4 o  217.972   3.2378  467.810   11.447 -7.436539 6.475700 
1 1 1   12   30    5 o  140.532   4.0627  190.312   8.4144 -8.857117 8.125493 
1 1 1   12   30    6 o  168.976   3.6391  285.953   9.2131 -0.9712677 7.278193 
1 1 1   12   30    7 o  244.137   3.4319  594.347   15.907 -7.686523 6.863897 
1 1 1   12   30    8 o  118.315   8.9332  143.502   21.139      ?      ? 
1 1 1   12   30    9 o   81.255   12.738   69.370   20.701      ?      ? 
1 1 1   12   30   10 o   94.491   10.978   92.809   20.746      ?      ? 
1 1 1   12   30   11 o  136.370   7.7495  189.170   21.136      ?      ? 
1 1 1   12   30   12 f  167.245   6.5062  282.719   21.763      ?      ? 
1 1 1   12   30   13 o   92.312   11.532   88.326   21.291      ?      ? 
1 1 1   12   30   14 o   59.610   8.4884   26.785   6.1108 -21.72600 16.97678 
1 1 1   12   31    0 o  243.887   3.5727  599.833   17.150 1.103592 7.145495 
1 1 1   12   31    1 o  212.402   5.6670  455.630   24.074      ?      ? 
1 1 1   12   31    2 o  278.589   3.1720  771.406   15.250 -5.892242 6.344052 
1 1 1   12   31    3 o  178.732   6.3346  323.503   22.644      ?      ? 
1 1 1   12   31    4 o  142.647   7.5662  207.251   21.586      ?      ? 
1 1 1   12   31    5 o  166.275   6.7927  280.651   22.589      ?      ? 
1 1 1   12   31    6 o  146.894   7.3763  219.442   21.671      ?      ? 
1 1 1   12   31    7 o  127.082   8.3134  164.625   21.130      ?      ? 
1 1 1   12   31    8 o  144.294   7.5070  211.217   21.664      ?      ? 
1 1 1   12   31    9 o  138.558   7.7222  194.938   21.400      ?      ? 
1 1 1   12   31   10 o   98.813   10.540  100.731   20.830      ?      ? 
1 1 1   12   31   11 o  120.257   8.7055  149.030   20.938      ?      ? 
1 1 1   12   32    0 f  147.606   3.8535  215.194   8.3132 -3.541687 7.706966 
1 1 1   12   32    1 o  166.483   6.4627  280.145   21.518      ?      ? 
1 1 1   12   32    2 o  167.808   6.3419  284.534   21.285      ?      ? 
1 1 1   12   32    3 o  184.262   6.0140  342.772   22.163      ?      ? 
1 1 1   12   32    4 o  250.774   5.4888  634.058   27.529      ?      ? 
1 1 1   12   32    5 o  109.475   9.2616  122.846   20.278      ?      ? 
1 1 1   12   32    6 o   49.333   16.717   25.701   19.662      ?      ? 
1 1 1   12   32    7 o   90.855   11.204   87.617   20.358      ?      ? 
1 1 1   12   32    8 o  199.886   6.1707  434.823   24.669      ?      ? 
1 1 1   13    0    3 o  198.722   6.3566  396.370   25.207 -0.000000 0.000000 
1 1 1   13    0    4 o  174.303   6.7966  305.431   23.615 -0.000000 0.000000 
1 1 1   13    0    5 o  141.422   8.1732  202.230   22.956 -0.000000 0.000000 
1 1 1   13    0    6 o  393.475   6.3244  1550.58   49.741 -0.000000 0.000000 
1 1 1   13    0    7 o  153.721   8.1439  238.593   24.889 -0.000000 0.000000 
1 1 1   13    0    8 o  252.212   6.0380  637.688   30.418 -0.000000 0.000000 
1 1 1   13    0    9 o  372.687   6.1803  1391.28   46.038 -0.000000 0.000000 
1 1 1   13    0   10 o  293.408   5.9697  862.682   34.999 -0.000000 0.000000 
1 1 1   13    0   11 o  169.704   7.5252  290.110   25.433 -0.000000 0.000000 
1 1 1   13    0   12 o   94.419   13.545   92.761   24.763 -0.000000 0.000000 
1 1 1   13    0   13 o  176.241   7.4743  312.803   26.243 -0.000000 0.000000 
1 1 1   13    0   14 o   39.814   22.141   22.418   25.712 -0.000000 0.000000 
1 1 1   13    0   15 o  348.274   6.2958  1215.71   43.821 -0.000000 0.000000 
1 1 1   13    0   16 o  249.285   6.4805  623.830   32.261 -0.000000 0.000000 
1 1 1   13    0   17 o  240.261   4.3613  575.045   20.792 -0.000000 0.000000 
1 1 1   13    0   18 o  282.957   4.1912  801.130   23.630 -0.000000 0.000000 
1 1 1   13    0   19 o  256.941   4.1946  660.699   21.462 -0.000000 0.000000 
1 1 1   13    0   20 o   44.282   15.117   29.759   15.372 -0.000000 0.000000 
1 1 1   13    0   21 f  144.085   5.9102  211.815   16.535 -0.000000 0.000000 
1 1 1   13    0   22 o  172.351   5.6124  299.243   18.830 -0.000000 0.000000 
1 1 1   13    0   23 o  358.465   4.4806  1279.39   31.859 -0.000000 0.000000 
1 1 1   13    0   24 o   63.823   12.196   61.229   15.568 -0.000000 0.000000 
1 1 1   13    0   25 f   62.624   13.959   52.275   15.447 -0.000000 0.000000 
1 1 1   13    0   26 o   37.181   14.231   20.654   15.895 -0.000000 0.000000 
1 1 1   13    0   27 o   77.335   12.610   69.330   16.938 -0.000000 0.000000 
1 1 1   13    0   28 o  114.735   7.5744  137.122   16.989 -0.000000 0.000000 
1 1 1   13    0   29 o   97.461   9.2990   95.882   17.548 -0.000000 0.000000 
1 1 1   13    0   30 f  190.344   5.3026  366.944   19.743 -0.000000 0.000000 
1 1 1   13    0   31 o  168.032   5.8077  280.885   18.929 -0.000000 0.000000 
1 1 1   13    0   32 o  109.256   8.8218  126.312   18.413 -0.000000 0.000000 
1 1 1   13    0   33 o   32.246   14.254   9.3781   18.391 -0.000000 0.000000 
1 1 1   13    0   34 o   65.980   14.161   60.148   17.484 -0.000000 0.000000 
1 1 1   13    1    3 o  293.965   5.6302  865.038   33.101      ?      ? 
1 1 1   13    1    4 o  414.379   4.5559  1711.25   37.637 23.88654 9.111768 
1 1 1   13    1    5 o  346.829   4.2382  1204.23   29.395 3.384277 8.476344 
1 1 1   13    1    6 o  495.763   5.1944  2462.53   51.499 -3.780731 10.38880 
1 1 1   13    1    7 o  365.530   4.3205  1337.97   31.583 5.137024 8.640944 
1 1 1   13    1    8 o  344.853   4.2279  1190.90   29.158 5.182709 8.455869 
1 1 1   13    1    9 o  321.296   4.1769  1033.83   26.837 6.871307 8.353816 
1 1 1   13    1   10 o  229.668   4.3760  528.348   20.096 -6.868332 8.751983 
1 1 1   13    1   11 o  164.793   5.4532  272.184   17.944 -13.00270 10.90634 
1 1 1   13    1   12 f  341.165   4.3032  1165.95   29.355 -5.664612 8.606323 
1 1 1   13    1   13 f  129.161   6.8905  169.077   17.614 20.81284 13.78099 
1 1 1   13    1   14 o  171.497   5.6248  295.174   19.283 -7.600006 11.24958 
1 1 1   13    1   15 o  303.467   4.3710  921.677   26.506 -15.63370 8.742021 
1 1 1   13    1   16 o  121.610   7.7036  149.540   18.721 -5.510612 15.40718 
1 1 1   13    1   17 o  238.469   3.0575  569.729   14.582 2.219009 6.114926 
1 1 1   13    1   18 o  144.569   4.1048  209.708   11.868 0.4803619 8.209615 
1 1 1   13    1   19 o  125.249   4.5491  157.643   11.395 -0.8671341 9.098240 
1 1 1   13    1   20 o  192.227   3.1910  370.593   12.267 2.133972 6.381927 
1 1 1   13    1   21 o   80.485   6.9979   67.394   10.918 -21.21491 13.99576 
1 1 1   13    1   22 o  169.035   3.8196  287.494   12.903 -3.791504 7.639126 
1 1 1   13    1   23 o  246.357   4.4483  607.701   21.917      ?      ? 
1 1 1   13    1   24 o   23.100   11.117 -21.7316   15.105      ?      ? 
1 1 1   13    1   25 o  116.836   4.7391  137.647   11.069 -3.885666 9.478116 
1 1 1   13    1   26 o   24.644   8.2738 -19.3052   11.155 -4.683846 16.54759 
1 1 1   13    1   27 o  156.888   3.9865  247.389   12.504 -5.560516 7.973049 
1 1 1   13    1   28 o   91.266   6.4447   85.326   11.760 -3.018158 12.88945 
1 1 1   13    1   29 o  120.697   7.2419  147.248   17.482      ?      ? 
1 1 1   13    1   30 o   28.891   9.3370 -10.4231   12.217 4.349407 18.67396 
1 1 1   13    1   31 f   34.208   10.151   0.4954   12.339 -10.77699 20.30276 
1 1 1   13    1   32 o   78.314   8.4956   65.879   12.750 -17.72307 16.99125 
1 1 1   13    1   33 o   57.581   15.851   37.046   18.821      ?      ? 
1 1 1   13    1   34 o   86.939   10.692   77.849   18.592      ?      ? 
1 1 1   13    2    3 o  377.473   6.1545  1426.63   46.463      ?      ? 
1 1 1   13    2    4 o  566.177   5.7547  3212.12   65.147 -5.151001 11.50939 
1 1 1   13    2    5 o  305.020   4.0830  931.125   24.900 10.35352 8.165964 
1 1 1   13    2    6 o  276.154   4.0792  763.673   22.526 5.862488 8.158431 
1 1 1   13    2    7 o  336.060   4.1748  1130.55   28.046 -3.779724 8.349530 
1 1 1   13    2    8 o  203.640   4.4857  415.211   18.265 -5.295135 8.971494 
1 1 1   13    2    9 o  310.711   4.1141  966.579   25.560 -4.584412 8.228160 
1 1 1   13    2   10 o  221.868   4.4188  492.376   19.591 -9.247696 8.837541 
1 1 1   13    2   11 o  271.235   4.1891  735.975   22.707 -10.29721 8.378283 
1 1 1   13    2   12 o  222.652   4.5081  496.555   20.056 -3.376190 9.016241 
1 1 1   13    2   13 o  242.204   4.4124  587.762   21.351 -2.213531 8.824712 
1 1 1   13    2   14 o  109.182   8.3764  120.013   18.273 -4.486137 16.75285 
1 1 1   13    2   15 o  162.320   5.9043  264.606   19.162 -5.502731 11.80863 
1 1 1   13    2   16 o  306.280   4.4088  941.343   27.006 -3.533447 8.817697 
1 1 1   13    2   17 f  116.554   6.6546  141.035   13.883 8.411224 13.30914 
1 1 1   13    2   18 o  120.596   4.7282  146.227   11.386 8.069244 9.456367 
1 1 1   13    2   19 o   63.064   8.7918   41.515   10.857 -10.98943 17.58358 
1 1 1   13    2   20 o   51.444   9.9731   28.151   10.583 -3.374443 19.94623 
1 1 1   13    2   21 o  114.364   4.7761  131.915   10.904 -4.029335 9.552245 
1 1 1   13    2   22 o   36.318   14.603   6.9354   16.238      ?      ? 
1 1 1   13    2   24 o   29.315   9.0915  -6.2690   10.803 9.352503 18.18307 
1 1 1   13    2   25 o   60.259   9.0531   38.554   10.824 -18.78294 18.10624 
1 1 1   13    2   26 f   32.566   9.8971   0.0684   11.621 0.3016815 19.79427 
1 1 1   13    2   27 o  120.974   7.2861  147.796   17.629      ?      ? 
1 1 1   13    2   28 o  108.698   5.5721  120.902   12.036 -13.71893 11.14420 
1 1 1   13    2   29 o  215.945   4.7206  468.405   20.388      ?      ? 
1 1 1   13    2   30 o   90.129   6.8561   83.596   12.308 11.25224 13.71222 
1 1 1   13    2   31 o   28.383   9.2731 -12.5976   12.411 2.318207 18.54626 
1 1 1   13    2   32 o   40.954   11.065   14.076   12.639 1.952187 22.13098 
1 1 1   13    2   33 o   56.949   10.979   36.133   12.886 -5.658897 21.95841 
1 1 1   13    2   34 o   81.746   7.9599   69.860   12.433 -22.88596 15.91977 
1 1 1   13    3    3 o  329.953   5.9269  1089.99   39.112      ?      ? 
1 1 1   13    3    4 o  486.549   5.0995  2370.81   49.603 -5.831818 10.19905 
1 1 1   13    3    5 o  482.312   5.0605  2329.38   48.791 -8.346405 10.12105 
1 1 1   13    3    6 o  245.845   4.2154  604.784   20.690 -3.012924 8.430699 
1 1 1   13    3    7 f  119.663   6.8066  143.292   16.220 -15.63174 13.61324 
1 1 1   13    3    8 o  184.721   4.7056  341.796   17.382 -3.802124 9.411166 
1 1 1   13    3    9 o  297.881   4.1093  887.151   24.451 -9.900696 8.218627 
1 1 1   13    3   10 o  211.415   4.4987  447.569   19.015 -7.301880 8.997451 
1 1 1   13    3   11 o  188.170   4.8792  354.939   18.360 -2.076447 9.758379 
1 1 1   13    3   12 o  255.412   4.3610  653.326   22.249 -3.530136 8.722086 
1 1 1   13    3   13 o  121.765   7.2796  148.338   17.656 -15.28742 14.55919 
1 1 1   13    3   14 o   77.518   11.779   63.030   17.690 -7.772736 23.55806 
1 1 1   13    3   15 o  216.920   4.7812  472.816   20.708 7.902298 9.562341 
1 1 1   13    3   16 o  126.741   7.1784  161.893   18.177 -6.816513 14.35684 
1 1 1   13    3   17 o   77.118   9.7313   60.252   13.362 -2.348579 19.46266 
1 1 1   13    3   18 o   50.758   10.159   26.904   10.986 11.14669 20.31850 
1 1 1   13    3   19 o  152.375   3.7895  233.007   11.549 -0.2015228 7.579064 
1 1 1   13    3   20 o   98.065   5.4854   97.014   10.751 5.048004 10.97082 
1 1 1   13    3   21 o  142.882   3.9314  205.095   11.233 3.281891 7.862723 
1 1 1   13    3   22 o   33.156   14.105   0.5974   16.390      ?      ? 
1 1 1   13    3   24 o   47.789   9.8727   23.815   10.498 -15.43651 19.74539 
1 1 1   13    3   25 o   39.180   10.332   12.126   11.072 7.272781 20.66385 
1 1 1   13    3   26 o  126.198   5.0185  161.252   12.607 11.86551 10.03693 
1 1 1   13    3   27 o   31.285   9.7764  -5.8717   12.298 -7.093502 19.55277 
1 1 1   13    3   28 o   75.501   7.8800   59.376   11.842 -8.204361 15.76000 
1 1 1   13    3   29 o   98.253   6.2850   98.117   12.339 -4.175545 12.56998 
1 1 1   13    3   30 o   47.522   10.731   23.297   12.140 -15.31898 21.46162 
1 1 1   13    3   31 o  100.504   6.2861  103.221   12.613 8.488342 12.57223 
1 1 1   13    3   32 o  115.441   5.6128  136.507   12.933 -6.372757 11.22558 
1 1 1   13    3   33 o   32.589   10.007  -4.0562   12.739 -9.844999 20.01453 
1 1 1   13    3   34 o   92.194   6.8666   87.272   12.633 7.569824 13.73316 
1 1 1   13    4    3 o  183.478   6.7555  337.195   24.790      ?      ? 
1 1 1   13    4    4 o  306.858   4.0307  941.823   24.719 16.40976 8.061484 
1 1 1   13    4    5 o  445.114   4.7727  1984.76   42.483 -0.6269836 9.545424 
1 1 1   13    4    6 o  436.978   4.7635  1909.83   41.559 -11.82962 9.526936 
1 1 1   13    4    7 o  285.889   4.0918  816.596   23.361 -11.68307 8.183626 
1 1 1   13    4    8 o  141.244   5.9737  200.298   16.847 2.198730 11.94732 
1 1 1   13    4    9 o  185.482   4.7931  344.587   17.775 -6.255707 9.586212 
1 1 1   13    4   10 o  239.870   4.2439  576.387   20.357 -1.462463 8.487702 
1 1 1   13    4   11 o  207.602   4.6127  431.324   19.135 -7.797394 9.225320 
1 1 1   13    4   12 o   50.308   12.897   21.433   16.748 -1.027660 25.79452 
1 1 1   13    4   13 o   90.833   9.7889   84.557   16.948 -27.39628 19.57772 
1 1 1   13    4   14 o  125.695   7.1170  158.595   17.868 -8.351395 14.23400 
1 1 1   13    4   15 o  111.999   7.8459  126.101   17.536 -9.332062 15.69188 
1 1 1   13    4   16 o  313.348   4.2822  985.183   26.808 -2.076263 8.564360 
1 1 1   13    4   17 o  137.148   5.4945  184.591   13.793 -7.828690 10.98902 
1 1 1   13    4   18 o  118.466   4.7778  141.077   11.316 3.887367 9.555625 
1 1 1   13    4   19 o  196.286   3.1614  386.278   12.411 -1.628799 6.322851 
1 1 1   13    4   20 o   87.234   5.9632   76.892   10.404 -0.3657608 11.92647 
1 1 1   13    4   21 o  101.294   5.3107  103.820   10.723 -9.645821 10.62140 
1 1 1   13    4   22 o  168.274   5.1435  283.801   17.310      ?      ? 
1 1 1   13    4   23 o  105.911   7.3314  113.071   15.530      ?      ? 
1 1 1   13    4   24 o   58.510   8.7947   36.125   10.199 16.47924 17.58937 
1 1 1   13    4   25 o   91.937   5.9415   85.913   10.923 1.397858 11.88298 
1 1 1   13    4   26 o   49.903   15.101   25.768   16.356      ?      ? 
1 1 1   13    4   27 o   46.511   15.771   22.093   17.500      ?      ? 
1 1 1   13    4   28 o   65.721   9.1379   46.921   11.695 16.87599 18.27575 
1 1 1   13    4   29 o  115.521   5.3114  135.201   12.242 9.433029 10.62285 
1 1 1   13    4   30 o   35.508   10.367   5.0238   11.992 3.395184 20.73405 
1 1 1   13    4   31 o   38.559   10.766   10.103   12.300 3.445290 21.53161 
1 1 1   13    4   32 o   61.256   10.406   41.964   12.646 -8.299717 20.81130 
1 1 1   13    4   33 o   34.845   10.321   1.0689   12.721 10.43018 20.64187 
1 1 1   13    4   34 o   38.547   10.767   10.243   12.241 0.1395035E-01 21.53427 
1 1 1   13    5    2 o  361.727   6.0642  1310.26   43.872      ?      ? 
1 1 1   13    5    3 o  433.137   6.6523  1879.26   57.627      ?      ? 
1 1 1   13    5    4 f  302.448   3.9960  916.005   24.169 4.535187 7.991950 
1 1 1   13    5    5 o  176.703   4.7734  313.783   16.796 18.72826 9.546824 
1 1 1   13    5    6 o  294.425   4.0914  864.755   24.046 21.29550 8.182748 
1 1 1   13    5    7 o  520.974   5.3879  2721.13   56.139 -0.1983643E-01 10.77589 
1 1 1   13    5    8 o  196.335   4.6956  386.255   18.437 -0.4765167 9.391116 
1 1 1   13    5    9 o  210.887   4.5886  445.961   19.338 4.471237 9.177133 
1 1 1   13    5   10 o  329.506   4.2070  1087.32   27.713 -4.906708 8.414042 
1 1 1   13    5   11 o   87.329   9.7755   78.743   16.548 7.978874 19.55093 
1 1 1   13    5   12 o  156.591   5.6206  245.438   17.536 -4.941956 11.24112 
1 1 1   13    5   13 o  115.753   7.5350  135.634   17.310 5.955864 15.06999 
1 1 1   13    5   14 o  139.480   6.6811  203.084   17.869 40.69520 13.36230 
1 1 1   13    5   15 o  335.855   4.3372  1131.28   29.109 -2.798645 8.674472 
1 1 1   13    5   16 o   73.708   11.913   57.346   17.198 -14.05456 23.82699 
1 1 1   13    5   17 o  113.241   6.5141  125.659   13.475 -7.358002 13.02824 
1 1 1   13    5   18 o   52.793   11.940   25.273   13.235 -15.10323 23.88052 
1 1 1   13    5   19 o  127.632   4.3277  163.709   11.045 -3.549179 8.655329 
1 1 1   13    5   20 o   50.398   9.8235   26.908   10.346 9.230476 19.64695 
1 1 1   13    5   22 o  219.694   4.2775  483.205   18.795      ?      ? 
1 1 1   13    5   23 o   22.007   7.5516 -24.0893   10.374 -2.168491 15.10311 
1 1 1   13    5   24 o   65.413   8.0607   45.028   10.152 16.43822 16.12148 
1 1 1   13    5   25 o   47.254   10.091   24.105   10.467 7.957081 20.18271 
1 1 1   13    5   27 o   70.053   8.9578   53.100   11.985 -27.21824 17.91566 
1 1 1   13    5   28 o   30.758   9.6366  -4.7963   11.928 3.870819 19.27311 
1 1 1   13    5   29 o   63.526   9.7206   43.762   11.986 -2.633453 19.44118 
1 1 1   13    5   30 o   34.015   10.156   2.6004   11.859 0.7915421 20.31124 
1 1 1   13    5   31 o   71.133   8.8322   53.738   12.289 -1.471245 17.66438 
1 1 1   13    5   32 o   42.471   10.848   15.886   12.430 -12.56220 21.69695 
1 1 1   13    5   33 o   78.874   8.0767   64.502   12.736 2.909348 16.15335 
1 1 1   13    5   34 o   41.763   10.987   15.739   12.313 1.742908 21.97388 
1 1 1   13    6    2 o  338.773   5.9877  1149.32   40.570      ?      ? 
1 1 1   13    6    3 o  362.125   6.0475  1313.30   43.799      ?      ? 
1 1 1   13    6    4 o  391.899   4.4114  1537.72   34.562 -5.190887 8.822851 
1 1 1   13    6    5 o  369.409   4.3041  1365.43   31.784 14.01282 8.608251 
1 1 1   13    6    6 o  734.034   7.2762  5407.72  106.734 -18.25800 14.55250 
1 1 1   13    6    7 o  383.523   4.4505  1472.40   34.119 -9.160156 8.901035 
1 1 1   13    6    8 o  256.622   4.2259  659.553   21.670 -1.413818 8.451717 
1 1 1   13    6    9 o  232.064   4.4198  538.569   20.454 -5.765656 8.839692 
1 1 1   13    6   10 o   91.696   8.9733   84.451   16.356 -14.26122 17.94667 
1 1 1   13    6   11 o  286.293   4.1131  820.740   23.536 -5.185089 8.226254 
1 1 1   13    6   12 o   53.094   12.690   26.152   16.096 -9.360470 25.37950 
1 1 1   13    6   13 o  310.734   4.1646  966.742   25.854 -5.834900 8.329186 
1 1 1   13    6   14 o  173.696   5.7320  309.085   18.654 78.85098 11.46397 
1 1 1   13    6   15 o  183.902   5.0364  339.816   18.453 -0.2963867 10.07281 
1 1 1   13    6   16 o  147.781   5.8935  219.341   17.342 -3.431793 11.78699 
1 1 1   13    6   17 o  229.942   3.9037  525.063   16.212 -5.079391 7.807462 
1 1 1   13    6   18 o   70.939   10.384   63.621   13.166 33.20292 20.76771 
1 1 1   13    6   19 o  147.055   3.7984  217.187   11.170 3.208496 7.596877 
1 1 1   13    6   20 o   94.581   5.5673   90.257   10.529 1.979630 11.13469 
1 1 1   13    6   21 o   20.756   7.2432 -33.1011   10.827 1.804678 14.48633 
1 1 1   13    6   23 o   28.952   8.9808  -3.3624   10.164 -4.214653 17.96169 
1 1 1   13    6   24 o  146.130   3.7963  214.850   11.094 2.211945 7.592663 
1 1 1   13    6   25 o   40.722   14.724   16.401   15.434      ?      ? 
1 1 1   13    6   27 o  134.982   4.4363  184.217   11.966 -0.2120514 8.872695 
1 1 1   13    6   28 o   98.492   6.0960   99.265   11.940 -10.32639 12.19197 
1 1 1   13    6   29 o   28.335   9.1506 -11.7078   11.875 7.541691 18.30123 
1 1 1   13    6   30 o   29.870   9.4109  -8.0503   11.843 8.974743 18.82175 
1 1 1   13    6   31 o   49.762   10.867   25.903   12.339 15.78172 21.73324 
1 1 1   13    6   32 o   25.210   8.5408 -23.3438   12.438 -1.516834 17.08163 
1 1 1   13    6   33 o   76.725   8.5674   62.327   12.582 19.81480 17.13487 
1 1 1   13    6   34 o   86.438   7.1217   78.438   12.146 -19.36214 14.24335 
1 1 1   13    7    2 o  159.750   7.8160  255.862   24.972      ?      ? 
1 1 1   13    7    3 o  305.877   5.7822  936.955   35.373      ?      ? 
1 1 1   13    7    4 o  265.027   4.1043  702.916   21.646 -1.890991 8.208646 
1 1 1   13    7    5 o  426.473   4.6501  1821.04   39.619 -6.164337 9.300101 
1 1 1   13    7    6 o  692.776   6.9043  4812.89   95.531 -20.67548 13.80851 
1 1 1   13    7    7 o  390.699   4.5040  1529.82   35.187 7.007355 9.008015 
1 1 1   13    7    8 o  314.488   4.1866  990.470   26.305 -2.581604 8.373207 
1 1 1   13    7    9 o  104.821   8.0290  109.600   16.744 -10.15037 16.05809 
1 1 1   13    7   10 o   79.850   10.599   67.823   16.230 17.98817 21.19746 
1 1 1   13    7   11 o  173.895   5.0947  302.538   17.623 -4.300140 10.18930 
1 1 1   13    7   12 f  122.661   6.7844  151.316   16.604 0.1796036 13.56877 
1 1 1   13    7   13 o  100.348   8.4666  102.998   16.754 16.09904 16.93313 
1 1 1   13    7   14 o  106.010   7.9328  112.995   16.767 -11.20353 15.86566 
1 1 1   13    7   15 o  141.824   6.0373  204.173   16.977 11.19202 12.07458 
1 1 1   13    7   16 o  124.618   6.6344  156.216   16.462 -3.162148 13.26889 
1 1 1   13    7   17 o  270.699   3.6068  729.888   18.175 -4.767517 7.213599 
1 1 1   13    7   18 o  150.852   4.9066  229.089   13.612 0.5051880 9.813200 
1 1 1   13    7   19 o   83.160   8.0570   65.733   12.493 -14.65069 16.11407 
1 1 1   13    7   20 o   68.223   7.9240   48.778   10.420 -11.80966 15.84807 
1 1 1   13    7   21 o  101.535   5.4002  104.139   10.911 -10.28346 10.80036 
1 1 1   13    7   22 f   56.322   8.3900   32.228   10.555 45.54445 16.77998 
1 1 1   13    7   23 o   41.464   9.9778   16.103   10.124 9.654984 19.95565 
1 1 1   13    7   24 o   53.690   9.9051   31.089   10.746 -0.8106308 19.81021 
1 1 1   13    7   25 o   40.768   10.211   13.048   11.384 16.21795 20.42148 
1 1 1   13    7   26 o   49.157   10.690   25.348   11.565 4.694477 21.37930 
1 1 1   13    7   27 o  108.924   5.4311  120.727   11.820 0.3388290 10.86213 
1 1 1   13    7   28 o  143.312   6.3377  207.069   18.165      ?      ? 
1 1 1   13    7   29 o   38.904   10.607   11.661   11.842 -5.661060 21.21332 
1 1 1   13    7   30 o   41.800   10.709   15.329   12.034 -11.34624 21.41792 
1 1 1   13    7   31 o   36.958   10.362   5.3419   12.241 14.94611 20.72367 
1 1 1   13    7   32 o   80.303   7.9423   67.438   12.673 -7.102364 15.88468 
1 1 1   13    7   33 o  156.945   4.2565  248.384   13.355 5.769836 8.513084 
1 1 1   13    8    2 o  227.104   6.0725  516.618   27.582      ?      ? 
1 1 1   13    8    3 o  285.386   5.8428  815.722   33.349      ?      ? 
1 1 1   13    8    4 o  261.616   4.0265  685.529   20.985 0.3120728 8.052949 
1 1 1   13    8    5 f  243.467   4.1335  593.360   20.076 -2.103622 8.267082 
1 1 1   13    8    6 o  216.355   4.4470  467.004   19.144 -8.747009 8.893992 
1 1 1   13    8    7 o  357.926   4.3005  1282.32   30.746 -6.887451 8.600910 
1 1 1   13    8    8 o  298.314   4.1390  886.305   24.591 -18.72696 8.277960 
1 1 1   13    8    9 o  181.188   5.0869  330.436   18.347 7.755936 10.17374 
1 1 1   13    8   10 o  331.129   4.2554  1097.14   28.116 -7.339508 8.510726 
1 1 1   13    8   11 o   90.494   10.001   85.412   17.263 10.00289 20.00262 
1 1 1   13    8   12 o  403.955   4.5912  1634.22   37.069 18.65662 9.182333 
1 1 1   13    8   13 o  144.471   6.1433  207.786   17.640 -13.30945 12.28670 
1 1 1   13    8   14 o  111.776   7.6791  126.416   17.085 0.1533661 15.35829 
1 1 1   13    8   15 f  123.938   6.7628  155.920   16.632 7.912621 13.52553 
1 1 1   13    8   16 o   45.950   12.295   14.122   15.919 -12.50327 24.59048 
1 1 1   13    8   17 o   79.125   9.7884   76.398   12.902 31.71847 19.57677 
1 1 1   13    8   18 o  155.411   4.6749  243.620   13.392 1.317093 9.349806 
1 1 1   13    8   19 f  153.801   4.6286  236.309   13.231 -2.677765 9.257229 
1 1 1   13    8   20 o   84.180   8.5740   71.970   14.435      ?      ? 
1 1 1   13    8   21 o  213.792   3.0404  457.487   12.985 0.7396393 6.080887 
1 1 1   13    8   22 o   65.423   8.4366   48.879   10.291 -29.02373 16.87314 
1 1 1   13    8   23 o   91.411   5.8340   87.249   10.339 -17.32794 11.66795 
1 1 1   13    8   24 o  156.922   3.6855  248.188   11.561 1.736221 7.370943 
1 1 1   13    8   26 o   99.284   5.8042  101.080   11.449 -11.42503 11.60830 
1 1 1   13    8   27 o   26.148   8.6709 -15.2557   11.494 -1.129969 17.34188 
1 1 1   13    8   28 o  128.824   4.7724  167.413   12.282 1.704323 9.544791 
1 1 1   13    8   29 o   31.229   9.7184  -3.2844   11.839 -2.619122 19.43674 
1 1 1   13    8   30 o   54.812   10.598   32.985   11.961 5.892044 21.19682 
1 1 1   13    8   31 o   54.963   10.267   32.553   12.012 23.09320 20.53350 
1 1 1   13    8   32 o   32.508   10.046  -1.5585   12.306 2.351473 20.09294 
1 1 1   13    8   33 o   38.947   15.251   10.854   17.248      ?      ? 
1 1 1   13    9    1 o  223.515   6.1790  500.508   27.622      ?      ? 
1 1 1   13    9    2 f  210.809   6.4690  445.310   27.274      ?      ? 
1 1 1   13    9    3 o  174.294   7.3634  304.600   25.668      ?      ? 
1 1 1   13    9    4 o  191.488   4.5436  365.699   17.342 -10.59747 9.087113 
1 1 1   13    9    5 o  219.062   4.3648  481.487   19.055 3.719986 8.729620 
1 1 1   13    9    6 o  133.333   6.3855  181.431   16.729 15.26899 12.77093 
1 1 1   13    9    7 o  321.924   4.1696  1038.31   26.838 -1.507935 8.339124 
1 1 1   13    9    8 o  272.113   4.1338  741.988   22.468 0.1540527 8.267514 
1 1 1   13    9    9 o  331.025   4.1723  1098.29   27.612 1.972076 8.344697 
1 1 1   13    9   10 o  211.912   4.5598  453.461   19.153 14.24570 9.119567 
1 1 1   13    9   11 o  388.585   4.5074  1494.01   34.660 -33.38693 9.014776 
1 1 1   13    9   12 o  362.335   4.3762  1307.89   31.517 -20.59579 8.752490 
1 1 1   13    9   13 o  138.769   6.3151  192.980   17.346 -5.040588 12.63025 
1 1 1   13    9   14 o  109.997   7.6615  123.048   16.712 5.525261 15.32309 
1 1 1   13    9   15 o  209.165   4.5203  440.954   18.811 9.412613 9.040545 
1 1 1   13    9   16 o  116.467   7.1535  134.593   16.498 -20.38216 14.30705 
1 1 1   13    9   17 o  117.057   5.9958  129.116   12.641 -17.18096 11.99159 
1 1 1   13    9   18 o   99.556   7.3158  101.771   12.591 3.010506 14.63168 
1 1 1   13    9   19 o   50.259   10.647   28.690   12.449 18.98623 21.29395 
1 1 1   13    9   20 o   94.057   7.7589   78.835   13.477 -29.67523 15.51777 
1 1 1   13    9   21 o  118.374   6.7697  140.689   16.027      ?      ? 
1 1 1   13    9   23 o   45.337   9.9979   20.606   10.172 11.17279 19.99580 
1 1 1   13    9   24 o   28.356   8.9840  -6.1521   10.779 -5.116476 17.96808 
1 1 1   13    9   26 o  155.783   3.8956  245.762   12.021 -5.266541 7.791289 
1 1 1   13    9   27 o   32.912   9.8881   0.0120   11.467 8.212940 19.77611 
1 1 1   13    9   28 o   23.599   8.0614 -23.8597   11.392 2.454308 16.12282 
1 1 1   13    9   29 o   54.083   10.493   32.318   11.683 -3.815662 20.98667 
1 1 1   13    9   30 o   66.541   9.2509   47.876   11.798 1.375298 18.50181 
1 1 1   13    9   31 o   27.615   9.0322 -13.1102   11.808 5.699644 18.06437 
1 1 1   13    9   32 o  131.390   4.8799  174.093   12.781 14.94168 9.759889 
1 1 1   13    9   33 o   65.973   9.3261   48.799   11.976 27.35139 18.65228 
1 1 1   13   10    1 o  254.451   6.1030  648.733   31.058      ?      ? 
1 1 1   13   10    2 o  174.695   7.3022  306.058   25.513      ?      ? 
1 1 1   13   10    3 o  324.685   5.9172  1056.22   38.425      ?      ? 
1 1 1   13   10    4 o  340.056   4.1964  1158.74   28.500 0.4974060 8.392763 
1 1 1   13   10    5 o  297.529   4.0787  887.182   24.165 0.9691162 8.157472 
1 1 1   13   10    6 o  218.723   4.3169  480.143   18.771 3.045242 8.633817 
1 1 1   13   10    7 o  102.907   7.6057  106.945   15.454 2.023460 15.21133 
1 1 1   13   10    8 f   85.781   9.8477   79.045   15.767 22.30505 19.69542 
1 1 1   13   10    9 o  198.943   4.6358  399.824   18.305 19.47850 9.271638 
1 1 1   13   10   10 o  299.890   4.1104  893.016   24.459 -20.80127 8.220712 
1 1 1   13   10   11 o  239.251   4.2935  573.851   20.392 -0.5327606 8.587076 
1 1 1   13   10   12 o   56.135   11.471   32.093   16.077 31.51013 22.94221 
1 1 1   13   10   13 o  126.662   6.5879  162.493   16.456 3.574799 13.17580 
1 1 1   13   10   14 o  110.271   7.4689  125.636   16.062 14.87179 14.93778 
1 1 1   13   10   15 o  132.424   6.3324  181.527   16.282 19.07642 12.66480 
1 1 1   13   10   16 o   84.719   9.6617   72.554   15.723 -23.72645 19.32337 
1 1 1   13   10   17 o  149.173   5.0427  229.893   13.094 8.460495 10.08545 
1 1 1   13   10   18 o  124.889   5.6439  152.710   12.552 -7.718575 11.28772 
1 1 1   13   10   19 o   55.502   8.7113   40.905   13.029 49.78703 17.42260 
1 1 1   13   10   20 o  229.940   4.0138  521.477   16.100 -7.064484 8.027617 
1 1 1   13   10   21 o  105.652   4.8803  112.968   10.305 -5.330551 9.760576 
1 1 1   13   10   22 o   50.563   9.3543   27.418   9.8741 -15.92373 18.70851 
1 1 1   13   10   23 o   97.095   5.4477   95.813   10.560 -7.335228 10.89537 
1 1 1   13   10   24 o  140.156   5.9090  197.169   16.564      ?      ? 
1 1 1   13   10   25 o   20.444   7.1587 -35.0736   10.958 -1.113625 14.31734 
1 1 1   13   10   26 o   34.354   10.016   5.1544   11.122 -0.8066559E-01 20.03121 
1 1 1   13   10   27 o   89.786   6.4719   80.545   11.496 18.18425 12.94389 
1 1 1   13   10   28 o   38.789   10.407   10.032   11.390 13.84225 20.81305 
1 1 1   13   10   29 o   80.822   7.4946   65.934   11.960 15.84941 14.98919 
1 1 1   13   10   30 o   41.897   10.868   15.372   11.909 8.992096 21.73676 
1 1 1   13   10   31 o   60.292   10.246   39.932   12.172 3.873295 20.49174 
1 1 1   13   10   32 o   90.058   6.9024   83.272   12.400 -5.132576 13.80487 
1 1 1   13   10   33 o   27.545   9.3725 -18.9113   15.411 1.600960 18.74491 
1 1 1   13   11    1 o  301.142   5.8626  908.671   35.310      ?      ? 
1 1 1   13   11    2 f  261.602   6.0356  685.812   31.578      ?      ? 
1 1 1   13   11    3 o  301.274   6.0183  909.608   36.263      ?      ? 
1 1 1   13   11    4 f  406.642   4.4959  1655.84   36.472 -5.767029 8.991858 
1 1 1   13   11    5 o  265.529   3.9944  697.739   20.955 -19.87344 7.988749 
1 1 1   13   11    6 o  194.042   4.4579  379.725   17.044 7.429825 8.915792 
1 1 1   13   11    7 o  112.045   7.5631  136.553   15.633 37.48029 15.12623 
1 1 1   13   11    8 o  355.282   4.2391  1265.96   30.074 4.969330 8.478149 
1 1 1   13   11    9 o  265.543   4.1288  688.385   21.604 -40.56577 8.257518 
1 1 1   13   11   10 f  191.838   4.6985  367.564   17.784 -5.321960 9.397087 
1 1 1   13   11   11 o  177.977   4.8950  318.991   17.141 2.566101 9.789907 
1 1 1   13   11   12 o  131.505   6.4110  182.301   16.061 27.62747 12.82205 
1 1 1   13   11   13 o   83.471   9.5364   71.990   15.354 2.066467 19.07276 
1 1 1   13   11   14 o   36.993   11.266  -1.2754   15.181 1.952366 22.53241 
1 1 1   13   11   15 o  162.109   5.1458  262.501   16.484 -7.504730 10.29153 
1 1 1   13   11   16 o   62.237   12.107   42.230   15.702 10.21418 24.21467 
1 1 1   13   11   17 o  333.618   3.6781  1112.12   22.571 -3.526062 7.356204 
1 1 1   13   11   18 o   75.085   9.7070   84.943   12.871 60.30215 19.41393 
1 1 1   13   11   19 o  110.661   7.6150   89.299   13.364 -93.67673 15.22998 
1 1 1   13   11   20 o  445.212   7.1487  1995.32   63.653      ?      ? 
1 1 1   13   11   21 o  182.056   4.2696  327.214   13.396 -6.421783 8.539191 
1 1 1   13   11   22 o  117.710   4.4278  139.862   10.408 -6.530884 8.855682 
1 1 1   13   11   24 o  140.434   5.8613  198.008   16.463      ?      ? 
1 1 1   13   11   25 o   73.954   7.3481   56.276   10.862 2.397018 14.69627 
1 1 1   13   11   26 o   63.226   9.0520   43.099   11.197 -14.71721 18.10395 
1 1 1   13   11   27 o   81.109   7.0454   67.464   11.420 4.307945 14.09079 
1 1 1   13   11   28 o   70.731   8.4962   52.190   11.690 12.50333 16.99248 
1 1 1   13   11   29 o   94.013   6.5924   92.307   12.162 -14.15857 13.18487 
1 1 1   13   11   30 o   53.393   10.685   31.659   11.893 0.8022957 21.36976 
1 1 1   13   11   31 o   65.157   9.6006   47.635   12.344 -26.49488 19.20110 
1 1 1   13   11   32 o   79.274   7.6920   64.861   12.188 -2.212082 15.38400 
1 1 1   13   12    0 o  181.329   4.7995  332.076   17.251 12.03737 9.598913 
1 1 1   13   12    1 o  205.043   6.5748  421.544   26.962      ?      ? 
1 1 1   13   12    2 o  395.175   6.3605  1565.52   50.270      ?      ? 
1 1 1   13   12    3 o  327.253   5.9400  1073.27   38.878      ?      ? 
1 1 1   13   12    4 o  253.909   4.0019  643.640   20.136 -6.470566 8.003737 
1 1 1   13   12    5 o  319.578   4.1024  1024.61   26.152 5.701843 8.204735 
1 1 1   13   12    6 o  399.466   4.4657  1595.01   35.536 -12.30740 8.931462 
1 1 1   13   12    7 o  194.864   4.5718  374.597   17.598 -19.20648 9.143643 
1 1 1   13   12    8 o  200.941   4.4877  402.356   17.815 -7.946487 8.975463 
1 1 1   13   12    9 o  313.425   4.1318  984.789   25.787 -1.691681 8.263507 
1 1 1   13   12   10 o  104.286   7.7477  111.257   15.683 5.332146 15.49531 
1 1 1   13   12   11 o   52.889   12.499   27.028   15.289 -4.495617 24.99797 
1 1 1   13   12   12 o  101.392   7.7257  104.247   15.444 1.665558 15.45132 
1 1 1   13   12   13 o  117.025   6.5984  136.737   15.330 -10.35658 13.19687 
1 1 1   13   12   14 o  143.863   5.6731  210.362   16.091 8.412277 11.34618 
1 1 1   13   12   15 o  315.668   4.1335  999.411   26.024 -7.884277 8.266910 
1 1 1   13   12   16 o  272.099   4.1684  745.411   22.645 12.80786 8.336858 
1 1 1   13   12   17 o   92.882   8.5119   97.218   12.822 18.62317 17.02370 
1 1 1   13   12   18 o  239.949   3.9588  533.953   16.649 -36.64525 7.917685 
1 1 1   13   12   19 o  181.494   8.4197  331.163   30.563      ?      ? 
1 1 1   13   12   20 o  103.584   7.9908  124.269   12.654 23.42731 15.98154 
1 1 1   13   12   21 o   67.691   10.358   50.417   12.329 7.876621 20.71683 
1 1 1   13   12   22 o  138.062   5.0969  188.464   13.074 -10.08148 10.19375 
1 1 1   13   12   23 o  169.146   4.9734  286.764   16.825      ?      ? 
1 1 1   13   12   24 o  186.614   3.3135  350.341   12.363 1.616898 6.627076 
1 1 1   13   12   25 o   81.088   6.8656   67.326   11.090 10.14440 13.73113 
1 1 1   13   12   26 o  125.087   6.8472  157.915   17.130      ?      ? 
1 1 1   13   12   27 o   49.291   10.309   26.240   11.566 -17.95339 20.61701 
1 1 1   13   12   28 o   75.020   7.9792   58.462   11.961 1.837730 15.95834 
1 1 1   13   12   29 o   87.105   7.0311   79.260   12.099 -10.96989 14.06223 
1 1 1   13   12   30 o   44.537   10.883   19.895   11.856 -3.842396 21.76646 
1 1 1   13   12   31 o   64.310   9.6248   44.988   12.007 8.943726 19.24963 
1 1 1   13   12   32 o   55.175   10.617   23.910   14.679 -46.84788 21.23453 
1 1 1   13   13    0 f  231.178   4.1431  531.229   19.063 -18.66968 8.286207 
1 1 1   13   13    1 o  377.862   4.3425  1422.54   32.652 -21.33517 8.685067 
1 1 1   13   13    2 o  311.595   5.8825  972.995   36.659      ?      ? 
1 1 1   13   13    3 o  428.191   6.6708  1838.60   57.127      ?      ? 
1 1 1   13   13    4 o  349.963   4.1491  1207.28   28.671 -34.45950 8.298194 
1 1 1   13   13    5 o  368.452   4.2276  1353.22   30.975 -18.44080 8.455107 
1 1 1   13   13    6 o  180.744   4.5920  328.527   16.404 3.026123 9.183968 
1 1 1   13   13    7 o  169.696   4.8952  290.902   16.366 6.453903 9.790408 
1 1 1   13   13    8 o  136.583   5.6713  187.437   15.291 -1.180801 11.34252 
1 1 1   13   13    9 o  169.650   4.7617  291.072   15.878 6.792892 9.523418 
1 1 1   13   13   10 o  163.065   4.9883  267.139   15.938 0.8285522E-01 9.976583 
1 1 1   13   13   11 o  251.189   4.0554  630.219   20.153 -7.336502 8.110802 
1 1 1   13   13   12 o   91.340   8.6672   87.242   15.293 13.13931 17.33433 
1 1 1   13   13   13 o  281.522   3.9850  796.416   22.381 3.926697 7.969976 
1 1 1   13   13   14 o  115.629   6.8576  137.784   15.517 11.91656 13.71519 
1 1 1   13   13   15 o  182.461   4.7730  338.162   17.250 16.84164 9.546032 
1 1 1   13   13   16 f   24.425   8.5998 -56.8558   16.418 -1.950087 17.19966 
1 1 1   13   13   17 o  137.393   10.007  191.332   27.499      ?      ? 
1 1 1   13   13   18 o  193.997   7.8494  377.801   30.455      ?      ? 
1 1 1   13   13   19 o  133.742   6.0952  186.365   13.687 6.776566 12.19030 
1 1 1   13   13   20 o   65.547   10.566   48.115   12.431 10.49850 21.13300 
1 1 1   13   13   21 o   82.877   8.6340   74.289   12.399 8.890694 17.26795 
1 1 1   13   13   22 o   41.387   9.9705   12.908   12.408 22.54530 19.94101 
1 1 1   13   13   23 o  171.603   4.2603  288.604   13.827 -13.14012 8.520544 
1 1 1   13   13   24 o   49.431   9.8116   26.998   10.550 -15.18518 19.62325 
1 1 1   13   13   25 o   31.303   9.3720  -5.2917   11.093 15.31535 18.74390 
1 1 1   13   13   26 o   24.066   8.1459 -21.6696   11.338 -2.426508 16.29183 
1 1 1   13   13   27 o   53.737   10.200   31.771   11.545 -15.55585 20.40082 
1 1 1   13   13   28 o   68.189   9.1150   51.709   11.889 -25.97660 18.22999 
1 1 1   13   13   29 o   54.441   10.637   33.078   11.969 -2.172054 21.27457 
1 1 1   13   13   30 o   92.153   6.7365   87.320   12.388 8.592247 13.47305 
1 1 1   13   13   31 o   83.231   7.6374   71.499   12.541 18.06549 15.27486 
1 1 1   13   14    0 o  300.126   3.9996  902.644   23.978 20.54507 7.999214 
1 1 1   13   14    1 o  214.851   4.2227  465.250   18.047 15.13429 8.445383 
1 1 1   13   14    2 o  176.047   6.9255  311.092   24.384      ?      ? 
1 1 1   13   14    3 o  108.750   7.1981  129.061   14.347 30.54289 14.39621 
1 1 1   13   14    4 o  233.261   4.0422  549.020   18.549 8.586121 8.084431 
1 1 1   13   14    5 o  206.910   4.2389  434.492   17.060 11.08720 8.477896 
1 1 1   13   14    6 o  180.487   4.5508  330.089   16.019 8.048431 9.101672 
1 1 1   13   14    7 o  244.670   3.9574  603.260   19.161 8.484100 7.914754 
1 1 1   13   14    8 o  376.565   4.2619  1421.08   32.009 -6.270386 8.523745 
1 1 1   13   14    9 o  188.592   4.4150  359.897   16.301 8.056168 8.829909 
1 1 1   13   14   10 o  283.228   3.9124  800.218   21.918 -10.44165 7.824711 
1 1 1   13   14   11 o  197.072   4.3309  389.399   16.795 -1.760056 8.661787 
1 1 1   13   14   12 o   56.720   12.118   32.815   14.710 -9.321915 24.23685 
1 1 1   13   14   13 o  181.258   4.6655  332.082   16.745 6.264481 9.330953 
1 1 1   13   14   14 o  294.181   4.0696  870.307   23.900 4.183441 8.139171 
1 1 1   13   14   15 o   59.373   10.627   36.954   15.917 42.06333 21.25299 
1 1 1   13   14   16 o  343.516   4.4421  1185.65   30.396 -2.302490 8.884122 
1 1 1   13   14   17 o  211.421   5.0079  443.798   21.068 -25.35860 10.01582 
1 1 1   13   14   18 o   59.827   11.641   39.597   13.052 2.903393 23.28103 
1 1 1   13   14   19 o  318.069   6.0806  1018.96   38.681      ?      ? 
1 1 1   13   14   20 o  123.156   5.7307  151.777   12.578 -2.752243 11.46132 
1 1 1   13   14   21 o  113.066   6.7347  146.797   12.598 28.54822 13.46949 
1 1 1   13   14   22 f  343.158   6.0219  1182.33   41.329      ?      ? 
1 1 1   13   14   23 o   38.311   10.871   9.2828   12.485 2.612953 21.74238 
1 1 1   13   14   24 o   53.304   10.017   30.660   10.987 12.54484 20.03404 
1 1 1   13   14   25 o   81.883   7.5193   70.411   11.396 33.17992 15.03861 
1 1 1   13   14   26 o   96.953   5.8398   96.243   11.273 -5.160477 11.67958 
1 1 1   13   14   27 o   49.840   10.477   27.213   11.294 -5.984928 20.95425 
1 1 1   13   14   28 o   40.698   10.728   14.663   11.789 -3.497959 21.45563 
1 1 1   13   14   29 o   63.246   9.7838   43.844   12.044 -5.707016 19.56761 
1 1 1   13   14   30 o   74.574   8.4632   58.813   12.188 13.86942 16.92641 
1 1 1   13   14   31 o   80.301   8.8504   66.062   13.315 35.01362 17.70084 
1 1 1   13   15    0 o  159.703   4.8383  257.107   15.386 6.929581 9.676513 
1 1 1   13   15    1 o  200.200   4.2758  402.122   17.043 -0.7549286 8.551621 
1 1 1   13   15    2 o  194.396   4.3957  380.156   16.969 3.625183 8.791405 
1 1 1   13   15    3 o  418.642   4.5197  1753.42   37.664 -14.77472 9.039338 
1 1 1   13   15    4 f  243.745   3.8420  593.507   18.418 -5.042374 7.684046 
1 1 1   13   15    5 o  151.544   4.9213  231.653   14.463 2.722290 9.842682 
1 1 1   13   15    6 f  224.267   3.9458  499.485   17.365 -10.87292 7.891504 
1 1 1   13   15    7 o  152.047   4.9176  230.411   14.639 -5.733459 9.835161 
1 1 1   13   15    8 o   88.052   8.8005   83.490   14.240 17.62739 17.60109 
1 1 1   13   15    9 o  268.857   3.9166  721.526   20.767 -8.226563 7.833153 
1 1 1   13   15   10 o  147.956   5.2990  221.855   15.301 4.772598 10.59800 
1 1 1   13   15   11 o  108.093   6.8363  116.814   14.577 -8.120514 13.67268 
1 1 1   13   15   12 o   91.492   8.7893   90.309   14.876 19.07255 17.57855 
1 1 1   13   15   13 o  209.604   4.2682  441.676   17.765 -0.8605957E-01 8.536380 
1 1 1   13   15   14 o  179.721   4.8215  327.377   17.207 7.759064 9.643050 
1 1 1   13   15   15 o   40.901   12.095   4.2541   16.457 -0.6165924 24.18939 
1 1 1   13   15   16 f  291.785   4.2776  850.608   24.847 -9.160461 8.555273 
1 1 1   13   15   17 o   44.525   12.088   12.469   16.802 16.19898 24.17624 
1 1 1   13   15   18 o   40.234   11.050   12.107   11.833 -1.408081 22.09974 
1 1 1   13   15   19 o   27.728   9.1994 -13.6564   11.877 -2.353323 18.39880 
1 1 1   13   15   20 o   94.724   9.3173  123.411   12.380 50.33450 18.63451 
1 1 1   13   15   21 o  250.307   3.6357  636.154   16.476 7.947479 7.271312 
1 1 1   13   15   22 o  212.695   3.8901  462.840   14.986 8.095001 7.780171 
1 1 1   13   15   23 o   76.416   10.270   69.046   13.368 19.41959 20.54029 
1 1 1   13   15   24 o  152.120   5.1717  213.748   14.420 -31.48570 10.34336 
1 1 1   13   15   25 o   75.159   7.3667   58.319   11.025 9.671646 14.73340 
1 1 1   13   15   26 o   85.923   6.5423   76.730   11.078 -9.592964 13.08462 
1 1 1   13   15   27 o   83.967   6.8870   72.928   11.493 -4.483376 13.77406 
1 1 1   13   15   28 o   42.873   10.774   17.813   11.697 -4.582325 21.54864 
1 1 1   13   15   29 o   65.181   9.6922   45.790   12.227 -13.65971 19.38432 
1 1 1   13   15   30 o   68.284   9.2321   51.285   12.063 14.86182 18.46418 
1 1 1   13   16    0 o  339.115   4.0257  1153.30   27.290 -2.476715 8.051394 
1 1 1   13   16    1 o  371.887   4.1981  1384.70   31.172 -13.10800 8.396259 
1 1 1   13   16    2 o  269.208   3.8376  726.866   20.650 0.6828613 7.675258 
1 1 1   13   16    3 f  143.909   4.5100  217.027   11.473 14.35873 9.020035 
1 1 1   13   16    4 f  193.151   4.0872  378.804   15.576 18.23431 8.174391 
1 1 1   13   16    5 o  322.540   3.9735  1043.32   25.514 -1.648071 7.947013 
1 1 1   13   16    6 o  200.135   4.2923  409.112   16.768 18.69656 8.584640 
1 1 1   13   16    7 o  279.041   3.8715  780.187   21.432 -3.210449 7.743080 
1 1 1   13   16    8 o  156.958   4.8391  245.363   14.907 -7.611389 9.678107 
1 1 1   13   16    9 o   73.672   9.9987   56.671   14.153 1.008095 19.99737 
1 1 1   13   16   10 o  213.379   4.1477  454.844   17.476 -7.678024 8.295420 
1 1 1   13   16   11 o  197.676   4.3740  394.199   17.066 4.260117 8.747905 
1 1 1   13   16   12 o  111.711   6.6751  126.763   14.683 1.159698 13.35030 
1 1 1   13   16   13 o  118.456   7.0472  155.293   15.276 44.23640 14.09444 
1 1 1   13   16   14 o  208.789   4.4725  424.901   18.408 -42.86809 8.944948 
1 1 1   13   16   15 o  299.425   4.2682  854.302   24.833 -63.64334 8.536347 
1 1 1   13   16   16 o  171.916   5.2858  301.113   17.961 4.158859 10.57164 
1 1 1   13   16   17 o   48.559   11.843   22.009   15.233 16.65335 23.68636 
1 1 1   13   16   18 o   91.599   8.4809   96.687   12.077 20.80069 16.96171 
1 1 1   13   16   19 o   74.296   10.182   69.423   12.038 23.31575 20.36332 
1 1 1   13   16   20 o  236.338   6.7678  560.888   31.990      ?      ? 
1 1 1   13   16   22 o   56.996   11.819   34.444   13.183 -5.242512 23.63898 
1 1 1   13   16   23 o  151.233   5.2284  226.980   14.482 -6.471512 10.45686 
1 1 1   13   16   24 o   47.235   12.138   18.644   13.852 -15.71555 24.27630 
1 1 1   13   16   25 o  122.540   6.4197  153.412   14.200 0.8277206 12.83950 
1 1 1   13   16   26 o   31.805   9.6754   0.0892   11.062 3.768124 19.35086 
1 1 1   13   16   27 o   84.558   6.8421   73.831   11.555 0.9826431 13.68411 
1 1 1   13   16   28 o   35.731   10.331   4.9203   12.141 8.532099 20.66153 
1 1 1   13   16   29 o   94.804   6.6897   93.118   12.491 9.888611 13.37945 
1 1 1   13   16   30 o   36.743   10.367   13.551   11.583 3.282070 20.73435 
1 1 1   13   17    0 o  308.107   3.8289  951.494   23.556 -5.486847 7.657789 
1 1 1   13   17    1 f  225.388   3.8767  510.691   17.442 13.11935 7.753484 
1 1 1   13   17    2 o  122.457   5.7849  154.106   13.871 24.14270 11.56974 
1 1 1   13   17    3 o  122.682   5.0167  156.278   10.830 8.934746 10.03335 
1 1 1   13   17    4 o  104.664   6.4386  111.776   13.171 5.716148 12.87711 
1 1 1   13   17    5 o  219.708   3.8264  484.572   16.687 0.2968750 7.652748 
1 1 1   13   17    6 o  212.188   3.8804  454.792   16.361 15.27255 7.760871 
1 1 1   13   17    7 o   94.819   6.9662   91.185   13.091 0.2687149 13.93248 
1 1 1   13   17    8 o  152.575   4.9068  237.201   14.604 9.158981 9.813698 
1 1 1   13   17    9 o   36.290   10.814   1.7606   13.652 4.545063 21.62835 
1 1 1   13   17   10 o   94.013   7.6337   91.930   13.852 9.393913 15.26743 
1 1 1   13   17   11 o  101.926   7.4804  109.699   14.616 15.19175 14.96075 
1 1 1   13   17   12 o  200.726   4.3082  393.791   16.908 -24.82472 8.616458 
1 1 1   13   17   13 o  232.009   4.1825  523.061   19.089 -40.02228 8.365056 
1 1 1   13   17   14 f  155.094   5.7153  233.985   17.400 -30.25179 11.43060 
1 1 1   13   17   15 f  226.756   4.3831  521.181   19.681 8.007065 8.766217 
1 1 1   13   17   16 o   84.126   9.1696   70.627   15.019 -12.16212 18.33922 
1 1 1   13   17   17 o  125.395   6.3704  161.360   15.441 5.199028 12.74088 
1 1 1   13   17   18 o   49.860   8.9374   31.855   12.029 37.41619 17.87471 
1 1 1   13   17   19 o  281.420   6.2344  794.791   35.090      ?      ? 
1 1 1   13   17   20 o   92.404   9.4631  106.905   12.298 30.72021 18.92612 
1 1 1   13   17   21 o  119.476   6.5873  150.481   13.248 8.000877 13.17467 
1 1 1   13   17   22 o  117.654   6.3994  130.063   14.014 -23.88763 12.79876 
1 1 1   13   17   23 o   55.257   12.163   32.093   14.001 -6.009838 24.32548 
1 1 1   13   17   24 o   62.717   10.621   50.053   13.732 31.64686 21.24135 
1 1 1   13   17   25 o   67.042   11.447   49.777   13.980 1.654655 22.89405 
1 1 1   13   17   26 o   30.496   10.147 -15.9729   14.165 -7.730515 20.29461 
1 1 1   13   17   27 o   55.754   12.387   33.270   14.389 -3.434399 24.77413 
1 1 1   13   17   28 o  129.947   4.9311  171.421   12.782 9.028000 9.862191 
1 1 1   13   17   29 o   80.265   7.2904   66.918   11.695 -3.984962 14.58087 
1 1 1   13   18    0 o  155.952   4.3738  244.666   13.606 1.180283 8.747630 
1 1 1   13   18    1 o  244.082   3.6382  598.630   17.742 7.791977 7.276383 
1 1 1   13   18    2 o  135.009   5.0252  184.104   13.521 5.425903 10.05039 
1 1 1   13   18    3 o  160.583   6.5209  259.475   20.943      ?      ? 
1 1 1   13   18    4 o  310.022   3.3080  963.928   18.992 0.1167908 6.616094 
1 1 1   13   18    5 o  164.412   4.3109  273.712   14.023 9.390305 8.621813 
1 1 1   13   18    6 o   93.360   6.8637   91.027   12.419 18.04585 13.72744 
1 1 1   13   18    7 o   69.492   9.2546   50.783   12.414 4.987495 18.50919 
1 1 1   13   18    8 o  190.162   3.9681  365.647   14.907 7.964417 7.936115 
1 1 1   13   18    9 f  117.252   5.7080  136.543   13.178 -12.83792 11.41600 
1 1 1   13   18   10 o  139.924   5.3549  180.895   13.971 -72.56992 10.70981 
1 1 1   13   18   11 o  360.546   4.5216  667.974   21.861 -277.0089 9.043251 
1 1 1   13   18   12 o  298.625   4.1440  679.586   21.259 -151.6813 8.288031 
1 1 1   13   18   13 o   91.812   8.8008   83.827   15.770 -25.72948 17.60166 
1 1 1   13   18   14 o  344.997   4.2295  1194.05   28.979 -10.09186 8.459041 
1 1 1   13   18   15 o  222.445   4.1822  492.661   18.141 -10.98405 8.364304 
1 1 1   13   18   16 o  117.485   6.6157  135.328   15.026 -17.56856 13.23144 
1 1 1   13   18   17 o   37.781   11.337   2.8150   14.924 2.333935 22.67438 
1 1 1   13   18   18 o  188.904   4.6228  318.101   16.448 -71.49197 9.245650 
1 1 1   13   18   19 o   68.116   10.189   65.584   12.649 41.56047 20.37881 
1 1 1   13   18   20 o   33.233   10.459  -2.9087   13.152 -0.9176102 20.91803 
1 1 1   13   18   21 o  137.249   5.9261  195.105   14.199 6.670731 11.85224 
1 1 1   13   18   22 o   38.836   11.432   6.8849   13.887 -1.530426 22.86419 
1 1 1   13   18   23 o  107.583   7.1966  118.838   13.899 0.9244308 14.39313 
1 1 1   13   18   24 o   72.931   10.538   60.177   13.646 10.85172 21.07659 
1 1 1   13   18   25 o   38.451   11.024   7.7078   13.861 7.643536 22.04797 
1 1 1   13   18   26 o   55.621   11.334   37.047   14.020 19.59560 22.66766 
1 1 1   13   18   27 o   56.250   12.001   35.545   14.133 5.773373 24.00187 
1 1 1   13   18   28 o   85.100   9.4749   79.916   13.667 10.20860 18.94987 
1 1 1   13   19    0 o  120.504   5.3652  147.101   12.862 6.627846 10.73050 
1 1 1   13   19    1 o  144.854   4.5375  210.858   13.121 -2.754211 9.075040 
1 1 1   13   19    2 o  111.123   5.0264  127.312   9.7512 5.830376 10.05280 
1 1 1   13   19    3 o  140.835   4.1145  197.114   10.266 -3.120605 8.229022 
1 1 1   13   19    4 o  223.831   3.2534  515.659   13.306 15.01059 6.506828 
1 1 1   13   19    5 o  121.900   4.8157  154.957   10.343 9.594223 9.631426 
1 1 1   13   19    6 o   35.517   10.151  -1.9827   11.977 -20.61434 20.30131 
1 1 1   13   19    7 f  132.846   5.0315  177.549   13.122 -1.685425 10.06302 
1 1 1   13   19    8 o  178.400   4.0620  314.185   14.275 -15.33025 8.123960 
1 1 1   13   19    9 o  265.055   3.6969  705.586   19.445 6.213806 7.393816 
1 1 1   13   19   10 o  254.873   4.0894  431.341   16.923 -177.0067 8.178898 
1 1 1   13   19   11 o  113.271   6.2203  129.196   13.666 -5.194031 12.44068 
1 1 1   13   19   12 o  125.722   5.8148  162.456   14.326 10.43256 11.62961 
1 1 1   13   19   13 o  120.680   6.0919  147.940   14.414 0.7809219 12.18372 
1 1 1   13   19   14 o  150.341   5.3887  229.415   15.633 2.246597 10.77737 
1 1 1   13   19   15 o   26.694   9.2472 -43.2805   14.869 -14.37988 18.49430 
1 1 1   13   19   16 o  116.930   6.7741  128.769   15.206 -44.64097 13.54821 
1 1 1   13   19   17 o  107.652   7.2529  121.639   14.675 13.15305 14.50584 
1 1 1   13   19   18 f   39.307   10.937   7.9912   14.076 12.97259 21.87347 
1 1 1   13   19   19 o  128.346   10.296  170.129   26.430      ?      ? 
1 1 1   13   19   20 f  139.710   5.6183  193.176   13.947 -6.407959 11.23669 
1 1 1   13   19   21 o   34.785   10.836  -8.2907   13.587 -17.90170 21.67286 
1 1 1   13   19   22 o   76.730   10.092   63.236   13.678 3.367706 20.18401 
1 1 1   13   19   23 f   67.555   10.862   48.433   13.449 -6.599464 21.72397 
1 1 1   13   19   24 o   80.355   9.5624   67.071   13.780 -4.058907 19.12473 
1 1 1   13   19   25 f   92.812   8.9834   97.205   13.881 16.39335 17.96678 
1 1 1   13   19   26 o   44.142   11.783   17.314   13.641 0.2885895 23.56578 
1 1 1   13   19   27 o   99.920   7.4983   97.459   13.655 -11.56733 14.99655 
1 1 1   13   20    0 o  162.625   4.7240  274.577   14.592 61.19382 9.447910 
1 1 1   13   20    1 o  228.460   3.7793  524.855   17.220 3.043640 7.558679 
1 1 1   13   20    2 f  356.399   5.8460  1276.54   41.670      ?      ? 
1 1 1   13   20    3 o  194.353   6.0622  379.352   23.564      ?      ? 
1 1 1   13   20    4 o  314.796   3.4246  1029.09   20.323 38.60190 6.849155 
1 1 1   13   20    5 o  225.140   5.7939  507.998   26.089      ?      ? 
1 1 1   13   20    6 o  163.294   6.8968  267.389   22.524      ?      ? 
1 1 1   13   20    7 o  167.530   4.5971  295.751   14.437 65.86067 9.194282 
1 1 1   13   20    8 o   23.840   8.2286 -30.5595   12.108 -6.088207 16.45712 
1 1 1   13   20    9 o  105.433   6.2627  116.330   12.545 9.831451 12.52533 
1 1 1   13   20   10 o   41.507   11.082   11.948   12.557 -12.20803 22.16489 
1 1 1   13   20   11 o   61.753   10.647   43.162   13.138 16.07228 21.29313 
1 1 1   13   20   12 o   85.416   8.2659   75.771   13.854 5.660934 16.53174 
1 1 1   13   20   13 o   38.183   11.129   2.5902   14.191 -14.65282 22.25877 
1 1 1   13   20   14 o   45.007   10.706   16.229   13.980 25.30069 21.41125 
1 1 1   13   20   15 o  202.579   4.1779  374.908   16.150 -73.95532 8.355828 
1 1 1   13   20   16 o  107.468   6.5799  117.321   13.990 -2.531845 13.15983 
1 1 1   13   20   17 o   46.481   11.768   17.031   13.936 -18.86890 23.53601 
1 1 1   13   20   18 o   35.707   10.964  -8.5177   14.758 -18.18326 21.92758 
1 1 1   13   20   19 o  129.984   6.5232  179.874   16.088 26.49222 13.04636 
1 1 1   13   20   20 o  123.531   5.8169  152.355   13.252 -6.373070 11.63390 
1 1 1   13   20   21 o   66.350   10.505   51.570   13.094 18.37685 21.01003 
1 1 1   13   20   22 o  462.042   7.0786  2168.09   65.413      ?      ? 
1 1 1   13   20   23 o   42.515   10.815   15.158   13.540 17.46794 21.63066 
1 1 1   13   20   24 o  131.472   5.7998  180.021   13.919 7.739044 11.59968 
1 1 1   13   20   25 o   44.901   11.959   15.484   13.604 -13.82077 23.91814 
1 1 1   13   20   26 o  106.496   11.863  117.602   25.267      ?      ? 
1 1 1   13   20   27 o  103.933   7.1487  133.513   12.848 28.68162 14.29740 
1 1 1   13   21    0 o  248.265   3.6970  606.163   18.046 -24.21211 7.394089 
1 1 1   13   21    1 o  307.884   3.8374  951.261   23.555 3.828369 7.674733 
1 1 1   13   21    2 o  155.356   4.6258  243.130   14.179 3.154587 9.251655 
1 1 1   13   21    3 o   91.619   8.1617   93.298   13.286 27.94016 16.32332 
1 1 1   13   21    4 o  117.786   6.2792  147.647   14.047 26.64174 12.55840 
1 1 1   13   21    5 o   69.273   8.4684   45.672   10.194 -13.03603 16.93683 
1 1 1   13   21    6 o  105.224   5.5971  109.373   10.489 -5.678787 11.19420 
1 1 1   13   21    7 o  128.628   4.7095  167.277   10.590 1.132629 9.418953 
1 1 1   13   21    8 o  235.091   3.7061  554.646   17.171 -2.260208 7.412238 
1 1 1   13   21    9 o   56.627   10.728   36.146   12.667 14.68854 21.45624 
1 1 1   13   21   10 o   42.871   11.240   15.819   12.828 3.171177 22.48026 
1 1 1   13   21   11 o   48.980   10.221   24.710   13.256 30.24742 20.44202 
1 1 1   13   21   12 o   30.688   9.7947 -10.7779   13.534 6.561913 19.58932 
1 1 1   13   21   13 o  213.969   3.9649  467.974   16.538 22.00854 7.929800 
1 1 1   13   21   14 o   78.875   8.8688   68.082   12.610 15.08419 17.73765 
1 1 1   13   21   15 o  109.178   6.3358  126.681   13.254 21.90156 12.67170 
1 1 1   13   21   16 o   26.155   8.8408 -30.7878   12.849 -13.23053 17.68162 
1 1 1   13   21   17 o   24.678   8.5103 -32.2847   13.438 -1.753036 17.02061 
1 1 1   13   21   18 o   81.226   9.3441   70.475   14.339 9.213333 18.68824 
1 1 1   13   21   19 o   88.669   9.0457   81.928   15.741 -7.008545 18.09135 
1 1 1   13   21   20 o  186.172   4.8388  351.258   17.831 0.9720459 9.677525 
1 1 1   13   21   21 o   38.334   11.293   6.2879   13.350 -6.544724 22.58657 
1 1 1   13   21   22 o  106.691   7.0681  117.066   14.017 -0.1731186 14.13613 
1 1 1   13   21   23 o   70.838   10.550   54.699   13.676 3.426857 21.09977 
1 1 1   13   21   24 o  104.923   7.1959  105.769   13.998 -18.22077 14.39182 
1 1 1   13   21   25 o  104.303   6.9819   99.730   13.390 -27.32056 13.96389 
1 1 1   13   21   26 o  100.821   6.3413  109.114   11.893 2.435837 12.68252 
1 1 1   13   22    0 o   97.722   6.1570   96.714   11.921 -1.073280 12.31408 
1 1 1   13   22    1 o  132.219   4.7603  177.167   12.391 3.934113 9.520553 
1 1 1   13   22    2 o   79.306   8.3069   68.684   12.127 20.49421 16.61376 
1 1 1   13   22    3 o  131.255   5.2229  179.809   13.233 23.15182 10.44571 
1 1 1   13   22    4 o  118.856   5.5746  145.033   12.927 8.882080 11.14916 
1 1 1   13   22    5 o  203.677   3.3708  403.683   11.840 -12.11169 6.741617 
1 1 1   13   22    6 o   94.795   5.9047   82.894   9.7433 -16.70415 11.80934 
1 1 1   13   22    7 o   78.664   7.2874   63.404   9.8631 1.280792 14.57470 
1 1 1   13   22    8 o   68.943   8.8922   57.081   10.055 20.89424 17.78444 
1 1 1   13   22    9 o  141.320   4.8454  205.917   13.358 6.698853 9.690735 
1 1 1   13   22   10 o  110.407   6.3140  132.025   12.930 27.77525 12.62805 
1 1 1   13   22   11 o  242.555   3.7162  528.494   16.901 -73.62747 7.432487 
1 1 1   13   22   12 o  164.676   4.4815  226.213   13.439 -81.84148 8.963094 
1 1 1   13   22   14 o  125.132   5.3773  156.945   13.235 -9.072044 10.75469 
1 1 1   13   22   15 o   62.818   9.5170   47.366   13.358 47.95696 19.03394 
1 1 1   13   22   16 o  191.182   4.2083  364.959   15.847 -9.148224 8.416574 
1 1 1   13   22   17 o   38.426   11.124  -0.2981   14.213 -19.57326 22.24714 
1 1 1   13   22   18 o  140.182   5.5300  201.519   15.267 6.012100 11.05991 
1 1 1   13   22   19 o   75.845   10.398   62.537   15.281 4.893028 20.79521 
1 1 1   13   22   20 o  123.200   6.5626  155.881   15.996 1.237389 13.12510 
1 1 1   13   22   21 o   84.159   10.209   81.958   15.837 32.82043 20.41745 
1 1 1   13   22   22 o  141.674   5.9851  202.281   16.723 -11.17488 11.97014 
1 1 1   13   22   23 o  133.791   6.3758  184.291   16.656 3.767868 12.75164 
1 1 1   13   22   24 o  105.360   7.7819  113.663   15.678 -1.877617 15.56375 
1 1 1   13   22   25 o  128.038   6.2458  187.284   14.562 59.68631 12.49168 
1 1 1   13   23    0 o  194.104   3.6441  379.657   14.124 8.119766 7.288146 
1 1 1   13   23    1 o  125.321   4.8122  158.532   12.045 -3.112549 9.624474 
1 1 1   13   23    2 o  186.779   3.7558  348.626   13.934 -11.54515 7.511561 
1 1 1   13   23    3 o  161.603   4.1336  262.759   13.277 -5.092422 8.267230 
1 1 1   13   23    4 o  388.437   4.2754  1528.51   33.172 -6.139008 8.550699 
1 1 1   13   23    5 o  127.277   5.4770  163.191   13.789 -18.25849 10.95405 
1 1 1   13   23    6 o  179.016   3.8109  314.504   11.634 -8.479584 7.621861 
1 1 1   13   23    7 o  310.796   3.4539  971.540   19.498 2.327759 6.907874 
1 1 1   13   23    8 o  269.854   3.3561  737.125   16.621 7.226166 6.712154 
1 1 1   13   23    9 o  149.229   7.3193  224.068   21.845      ?      ? 
1 1 1   13   23   10 o   27.753   8.8541 -20.4300   12.492 13.57133 17.70823 
1 1 1   13   23   11 o   33.933   10.333   0.7427   12.395 -2.818146 20.66563 
1 1 1   13   23   12 o  192.879   3.9776  374.158   14.919 -2.481552 7.955170 
1 1 1   13   23   13 o  136.922   5.2488  193.651   14.044 13.06841 10.49765 
1 1 1   13   23   14 o  132.080   5.4407  178.288   14.230 11.40002 10.88136 
1 1 1   13   23   15 o   71.965   9.9462   57.531   13.694 21.36003 19.89243 
1 1 1   13   23   16 o   28.172   9.4198 -18.9674   13.803 -0.9000931 18.83956 
1 1 1   13   23   17 o  103.474   7.1843  112.147   14.537 13.29971 14.36855 
1 1 1   13   23   18 o   98.737   7.8354  102.329   15.275 10.33842 15.67084 
1 1 1   13   23   19 f  129.617   6.2325  173.529   15.934 8.282181 12.46506 
1 1 1   13   23   20 o   55.661   12.422   34.070   15.286 -6.752804 24.84301 
1 1 1   13   23   21 o   45.806   11.452   21.088   12.543 2.007847 22.90455 
1 1 1   13   23   22 o   97.344   7.3245   91.598   13.078 -13.88640 14.64895 
1 1 1   13   23   23 o  146.764   4.9626  211.642   12.852 -8.592072 9.925111 
1 1 1   13   23   24 o   97.077   8.4819  170.317   15.075 123.7440 16.96382 
1 1 1   13   24    0 o  261.177   3.7289  679.709   19.399 -17.40596 7.457708 
1 1 1   13   24    1 o  169.170   4.2765  288.850   14.384 14.44156 8.552943 
1 1 1   13   24    2 o  199.996   3.9249  403.719   15.578 26.34949 7.849720 
1 1 1   13   24    3 o  253.585   3.8802  610.912   18.999 92.29497 7.760355 
1 1 1   13   24    4 o  222.323   3.9425  503.012   17.182 49.95595 7.884941 
1 1 1   13   24    5 o  333.078   3.4996  1136.56   21.621 20.17767 6.999268 
1 1 1   13   24    6 o  200.723   3.7019  425.201   12.825 21.20007 7.403829 
1 1 1   13   24    7 o   51.798   10.338   28.927   10.086 1.057629 20.67629 
1 1 1   13   24    8 o   36.512   9.6300  -8.8495   9.9830 -35.79121 19.26001 
1 1 1   13   24    9 o   31.622   9.6549   0.8677   10.053 -6.363483 19.30989 
1 1 1   13   24   10 o   20.295   7.1542 -30.2105   9.9878 -4.310795 14.30849 
1 1 1   13   24   11 o   36.162   10.655   4.3432   12.435 -6.510300 21.31093 
1 1 1   13   24   12 o   94.537   6.9809   90.546   12.973 -3.270302 13.96178 
1 1 1   13   24   13 o  140.857   5.0957  199.921   14.294 -5.287872 10.19143 
1 1 1   13   24   14 o   28.605   9.4109 -14.9381   13.216 3.197193 18.82174 
1 1 1   13   24   15 o   43.992   11.197   14.823   13.199 -18.19460 22.39455 
1 1 1   13   24   16 f  114.436   6.1562  134.113   13.971 0.8528061 12.31236 
1 1 1   13   24   17 o  111.107   6.7762  129.597   14.704 22.32992 13.55231 
1 1 1   13   24   18 o   60.963   11.741   40.402   14.989 -20.21453 23.48290 
1 1 1   13   24   19 o  148.492   5.4527  226.254   15.915 6.248550 10.90540 
1 1 1   13   24   20 o  101.659   7.5491  107.874   14.818 3.682129 15.09826 
1 1 1   13   24   21 o  118.545   6.5180  143.526   14.944 0.3940048 13.03601 
1 1 1   13   24   22 o  122.616   5.7683  153.268   11.984 1.155174 11.53657 
1 1 1   13   25    0 o  137.903   4.6223  192.989   12.683 4.043762 9.244692 
1 1 1   13   25    1 o  267.734   4.2691  360.954   16.138 -250.4223 8.538292 
1 1 1   13   25    2 o  124.453   4.9690  156.046   12.323 -9.249290 9.938058 
1 1 1   13   25    3 o  252.447   3.5497  641.182   17.829 -2.090836 7.099455 
1 1 1   13   25    4 o  155.566   4.3378  249.781   13.104 17.03098 8.675605 
1 1 1   13   25    5 o  172.293   3.6061  303.899   10.600 6.067978 7.212183 
1 1 1   13   25    6 o   57.260   9.3269   37.104   9.3417 9.274082 18.65373 
1 1 1   13   25    7 o  127.728   4.6380  166.688   10.045 2.990074 9.276047 
1 1 1   13   25    8 o   45.211   10.460   17.577   9.5402 -16.02416 20.92061 
1 1 1   13   25    9 o  139.702   4.4097  199.656   10.509 4.555710 8.819387 
1 1 1   13   25   10 o  116.312   5.1261  131.851   10.128 -7.178909 10.25211 
1 1 1   13   25   11 o  151.030   7.4390  231.673   22.470      ?      ? 
1 1 1   13   25   12 o   29.818   9.6428 -15.1554   12.877 -12.94068 19.28562 
1 1 1   13   25   13 o   55.355   10.765   34.713   12.657 14.51052 21.53073 
1 1 1   13   25   14 o   54.005   11.047   32.743   12.703 7.799240 22.09368 
1 1 1   13   25   15 o  102.841   6.5870  108.241   13.258 -0.8798370 13.17407 
1 1 1   13   25   16 o   32.697   10.288  -7.2316   13.524 -10.24587 20.57556 
1 1 1   13   25   17 o  181.171   4.4780  334.361   15.923 5.006607 8.955912 
1 1 1   13   25   18 o   77.640   9.4981   61.662   14.143 -20.58851 18.99620 
1 1 1   13   25   19 o   68.789   10.407   51.982   13.590 6.199242 20.81332 
1 1 1   13   25   20 f   83.234   8.8100   74.301   13.249 7.002846 17.61996 
1 1 1   13   25   21 f   35.519   10.260   6.6109   11.913 6.036194 20.52001 
1 1 1   13   26    0 o  160.289   5.1938  258.748   16.650      ?      ? 
1 1 1   13   26    1 o  105.184   5.4962  110.501   11.395 -9.777504 10.99247 
1 1 1   13   26    2 o   99.141   5.7845   98.173   11.208 -7.730461 11.56907 
1 1 1   13   26    3 o  100.759   6.0731  105.794   11.731 10.21944 12.14629 
1 1 1   13   26    4 f  144.284   4.4144  210.423   12.166 1.448105 8.828743 
1 1 1   13   26    5 o  145.704   3.8486  183.533   9.2024 -35.40285 7.697290 
1 1 1   13   26    6 o  130.660   4.3501  158.633   9.2653 -16.92958 8.700110 
1 1 1   13   26    7 o  102.238   5.4911   99.543   9.2053 -10.08221 10.98210 
1 1 1   13   26    8 o  129.922   4.7539  179.244   9.7854 11.37540 9.507756 
1 1 1   13   26    9 o   34.745   9.8619   8.2492   9.0242 -3.953407 19.72376 
1 1 1   13   26   10 o   87.673   6.7682   79.206   9.2229 2.090302 13.53646 
1 1 1   13   26   11 o   42.433   10.401   16.981   9.4802 -5.150333 20.80168 
1 1 1   13   26   12 o   91.143   6.2619   80.759   9.8254 -8.122688 12.52384 
1 1 1   13   26   13 o   37.413   10.606   8.7772   12.020 2.332092 21.21137 
1 1 1   13   26   14 o   40.848   11.143   11.173   12.498 -13.12243 22.28627 
1 1 1   13   26   15 o  151.898   4.7131  231.346   13.805 -6.648529 9.426130 
1 1 1   13   26   16 f   66.885   10.111   46.408   12.828 -17.29268 20.22127 
1 1 1   13   26   17 o   89.323   7.9515   85.007   13.665 10.53152 15.90291 
1 1 1   13   26   18 o  161.568   4.6867  263.177   14.751 -1.736984 9.373473 
1 1 1   13   26   19 o   87.744   8.6980   87.366   13.032 19.36658 17.39592 
1 1 1   13   27    0 o  128.502   5.0138  171.282   12.560 14.52793 10.02755 
1 1 1   13   27    1 o  132.381   4.6812  178.103   12.008 1.036209 9.362366 
1 1 1   13   27    2 o  166.272   4.1290  278.081   13.430 -4.612869 8.258029 
1 1 1   13   27    3 o  105.314   5.9176  107.574   12.089 -24.19421 11.83523 
1 1 1   13   27    4 o  117.434   4.9245  140.281   9.1828 1.246582 9.848958 
1 1 1   13   27    5 o  176.029   3.6638  312.881   10.607 1.261215 7.327588 
1 1 1   13   27    6 o  200.157   3.4230  395.141   11.380 -6.498978 6.845989 
1 1 1   13   27    7 o  101.293   5.7557  101.798   9.2122 -3.173645 11.51149 
1 1 1   13   27    8 o  119.467   4.9564  140.816   9.3350 -4.377853 9.912767 
1 1 1   13   27    9 o  172.164   3.7751  298.387   10.433 0.2728882 7.550193 
1 1 1   13   27   10 o  112.743   5.2828  134.703   9.4655 9.223434 10.56567 
1 1 1   13   27   11 o   73.407   8.2011   58.474   9.3536 6.393257 16.40223 
1 1 1   13   27   12 o   96.613   6.1649   97.513   9.7157 4.554520 12.32982 
1 1 1   13   27   13 o  110.198   5.5032  122.212   10.316 -1.785004 11.00646 
1 1 1   13   27   14 o  182.594   4.2625  349.562   14.966 35.14461 8.524932 
1 1 1   13   27   15 o   86.857   7.4946   74.293   12.665 -19.10985 14.98913 
1 1 1   13   27   16 o  139.816   4.8443  194.592   12.802 -6.425934 9.688553 
1 1 1   13   27   17 o   97.464   6.5051   93.939   11.406 -6.581673 13.01012 
1 1 1   13   27   18 o   81.428   8.0149  120.690   11.294 95.10307 16.02984 
1 1 1   13   28    0 o   80.029   8.3997   67.352   12.855 -22.81747 16.79948 
1 1 1   13   28    1 o  120.408   5.5548  145.839   13.288 -17.25022 11.10967 
1 1 1   13   28    2 o  112.521   5.9298  127.984   13.206 -7.937340 11.85955 
1 1 1   13   28    3 o  211.780   3.3584  444.699   11.915 -5.198212 6.716719 
1 1 1   13   28    4 f  322.766   3.3824  1060.55   19.929 9.679810 6.764859 
1 1 1   13   28    5 o  147.479   4.4354  249.829   10.151 34.72801 8.870753 
1 1 1   13   28    6 o   82.961   6.8052   71.593   8.9357 3.084938 13.61039 
1 1 1   13   28    7 o   83.274   6.8195   75.027   8.6300 8.440132 13.63905 
1 1 1   13   28    8 o  107.942   5.2761  121.167   8.7648 4.926018 10.55215 
1 1 1   13   28    9 f  135.261   4.2651  178.140   9.2663 -7.815475 8.530157 
1 1 1   13   28   10 o  107.414   5.2990  118.348   9.0591 2.400627 10.59792 
1 1 1   13   28   11 o  185.363   3.4831  331.285   10.755 -13.61688 6.966223 
1 1 1   13   28   12 o   48.114   10.185   22.308   8.9939 -9.793957 20.36927 
1 1 1   13   28   13 o   76.803   7.1392   56.247   9.0600 -9.050964 14.27841 
1 1 1   13   28   14 o  113.263   5.0628  123.020   9.1626 -9.239906 10.12563 
1 1 1   13   28   15 f   89.547   6.3713   72.086   8.5443 -15.42870 12.74264 
1 1 1   13   28   16 o  134.751   4.9770  196.629   10.897 15.01352 9.954002 
1 1 1   13   29    0 o   96.215   7.1100   96.802   13.523 12.04912 14.22002 
1 1 1   13   29    1 o   79.406   8.5688   65.139   13.491 -10.65737 17.13750 
1 1 1   13   29    2 o  120.625   5.8085  150.924   13.667 9.121956 11.61703 
1 1 1   13   29    3 o   99.990   6.1392  113.171   9.3270 18.41575 12.27844 
1 1 1   13   29    4 o  163.446   3.8486  269.929   10.383 0.9348755 7.697145 
1 1 1   13   29    5 o  205.794   3.3538  429.842   11.726 3.622147 6.707525 
1 1 1   13   29    6 o  211.038   3.2394  438.187   11.535 -8.234207 6.478881 
1 1 1   13   29    7 o  195.745   3.3092  378.743   10.769 -5.696243 6.618339 
1 1 1   13   29    8 o  122.602   4.4964  142.833   8.8100 -11.72012 8.992741 
1 1 1   13   29    9 o  175.572   3.4338  300.708   9.6692 -8.614166 6.867640 
1 1 1   13   29   10 o  113.060   4.7249  118.020   8.2120 -14.90117 9.449746 
1 1 1   13   29   11 o  212.170   3.2266  437.569   11.112 -11.37093 6.453285 
1 1 1   13   29   12 o  109.750   5.2705  126.026   8.3634 6.147789 10.54093 
1 1 1   13   29   13 o   50.503   9.9814   25.369   7.6537 -3.830708 19.96278 
1 1 1   13   29   14 o   78.798   16.877   89.942   25.828      ?      ? 
1 1 1   13   30    0 o  143.055   6.3186  207.301   18.078      ?      ? 
1 1 1   13   30    1 o  104.842   6.3933  111.924   12.960 -2.652054 12.78663 
1 1 1   13   30    2 o  103.821   5.5081  101.996   8.9835 -11.01004 11.01627 
1 1 1   13   30    3 o  156.459   3.9541  242.294   9.7574 -4.210022 7.908218 
1 1 1   13   30    4 f   64.743   9.1717   43.952   10.226 -0.1878967 18.34348 
1 1 1   13   30    5 o   89.774   6.1580   78.178   8.3926 -5.932007 12.31594 
1 1 1   13   30    6 o  139.542   4.2001  187.893   8.8524 -8.622330 8.400175 
1 1 1   13   30    7 o  169.903   3.6991  281.936   9.5398 -7.129410 7.398270 
1 1 1   13   30    8 o  168.488   3.7294  289.944   9.4087 4.415939 7.458890 
1 1 1   13   30    9 o   99.779   5.7521   96.877   7.6907 -4.737915 11.50424 
1 1 1   13   30   10 o   77.142   7.2365   53.972   7.0778 -10.88278 14.47290 
1 1 1   13   30   11 o   64.013   16.831   54.183   21.834      ?      ? 
1 1 1   13   31    0 o  239.731   4.4987  577.867   21.569      ?      ? 
1 1 1   13   31    1 o  203.777   3.4451  422.013   11.173 4.112167 6.890118 
1 1 1   13   31    2 o  172.251   3.7439  299.936   9.9708 1.701782 7.487884 
1 1 1   13   31    3 o  173.218   3.7120  299.280   9.8866 -1.950745 7.424090 
1 1 1   13   31    4 o  153.378   4.0020  234.772   9.0290 -1.653885 8.003960 
1 1 1   13   31    5 o  101.230   5.4736   94.058   7.6608 -12.99790 10.94711 
1 1 1   13   31    6 o  144.192   7.8717  214.236   22.701      ?      ? 
1 1 1   13   31    7 o  100.923   8.6960  206.276   8.3767 105.4451 17.39199 
1 1 1   14    0    3 o  435.009   6.6605  1895.72   57.917 -0.000000 0.000000 
1 1 1   14    0    4 o  350.022   5.9483  1227.31   41.614 -0.000000 0.000000 
1 1 1   14    0    5 o  361.843   6.1025  1311.70   44.135 -0.000000 0.000000 
1 1 1   14    0    6 o  356.908   6.0749  1276.23   43.336 -0.000000 0.000000 
1 1 1   14    0    7 o  167.271   7.5212  281.939   25.052 -0.000000 0.000000 
1 1 1   14    0    8 o  183.988   7.0067  340.478   25.702 -0.000000 0.000000 
1 1 1   14    0    9 f  181.009   6.9916  329.596   25.229 -0.000000 0.000000 
1 1 1   14    0   10 o  104.184   12.112  113.355   24.659 -0.000000 0.000000 
1 1 1   14    0   11 o  534.037   7.8146  2859.26   83.426 -0.000000 0.000000 
1 1 1   14    0   12 o  165.345   7.6859  275.757   25.299 -0.000000 0.000000 
1 1 1   14    0   13 o   69.824   19.610   59.629   23.679 -0.000000 0.000000 
1 1 1   14    0   14 o   70.236   20.030   60.682   24.356 -0.000000 0.000000 
1 1 1   14    0   15 o   53.572   22.651   41.409   24.391 -0.000000 0.000000 
1 1 1   14    0   16 o   31.604   19.532   8.9369   23.726 -0.000000 0.000000 
1 1 1   14    0   17 o  101.433   11.956  108.059   23.687 -0.000000 0.000000 
1 1 1   14    0   18 o  141.647   8.9473  204.189   25.139 -0.000000 0.000000 
1 1 1   14    0   19 o   18.160   13.324 -52.6880   26.442 -0.000000 0.000000 
1 1 1   14    0   20 o  177.842   5.7425  309.934   19.634 -0.000000 0.000000 
1 1 1   14    0   21 o  163.008   6.1523  269.740   19.005 -0.000000 0.000000 
1 1 1   14    0   22 o   31.525   12.840   7.7521   15.792 -0.000000 0.000000 
1 1 1   14    0   23 o  191.239   4.7305  364.642   17.717 -0.000000 0.000000 
1 1 1   14    0   24 o  195.411   4.6910  382.012   18.059 -0.000000 0.000000 
1 1 1   14    0   25 o   71.580   12.516   60.196   16.002 -0.000000 0.000000 
1 1 1   14    0   26 o   30.532   13.139   7.6054   15.851 -0.000000 0.000000 
1 1 1   14    0   27 o  111.265   8.2152  132.521   17.369 -0.000000 0.000000 
1 1 1   14    0   28 o   19.059   9.8214 -38.8777   17.222 -0.000000 0.000000 
1 1 1   14    0   29 o   45.728   15.532   27.909   17.233 -0.000000 0.000000 
1 1 1   14    0   30 o   29.902   13.516  -3.2482   17.461 -0.000000 0.000000 
1 1 1   14    0   31 o   23.734   11.619 -16.6237   18.222 -0.000000 0.000000 
1 1 1   14    0   32 o   33.063   14.441   10.646   18.490 -0.000000 0.000000 
1 1 1   14    0   33 f   35.239   14.793   16.346   17.057 -0.000000 0.000000 
1 1 1   14    1    3 o  241.361   4.1556  583.361   20.055 3.316330 8.311120 
1 1 1   14    1    4 o  158.127   5.3724  251.109   16.968 6.907578 10.74484 
1 1 1   14    1    5 o  254.017   4.0771  646.337   20.712 3.898041 8.154252 
1 1 1   14    1    6 o  130.632   6.5604  171.626   17.120 6.717438 13.12075 
1 1 1   14    1    7 o  360.768   4.3282  1304.25   31.227 -1.570526 8.656501 
1 1 1   14    1    8 o  219.777   4.4438  484.097   19.510 -14.17418 8.887529 
1 1 1   14    1    9 o  121.109   6.9952  148.522   16.817 15.24838 13.99046 
1 1 1   14    1   10 o  133.024   6.5489  177.753   17.412 6.670563 13.09780 
1 1 1   14    1   11 o  242.495   4.3170  589.162   20.932 6.232864 8.634066 
1 1 1   14    1   12 o  240.737   4.3670  581.226   21.025 -2.691879 8.734077 
1 1 1   14    1   13 o  271.066   4.2897  737.313   23.252 6.977325 8.579461 
1 1 1   14    1   14 o  211.075   4.7614  447.562   20.094 6.789276 9.522895 
1 1 1   14    1   15 o  356.955   4.4348  1279.10   31.659 4.182983 8.869552 
1 1 1   14    1   16 o   45.092   12.164   8.4249   17.013 20.69033 24.32852 
1 1 1   14    1   17 o  119.999   7.1037  146.017   17.041 -2.451233 14.20748 
1 1 1   14    1   18 o  131.050   6.6411  174.288   17.372 -6.154968 13.28228 
1 1 1   14    1   19 o   28.714   9.6261 -20.2450   13.542 -6.925522 19.25228 
1 1 1   14    1   22 o  179.500   3.4446  323.791   12.360 -0.3997955 6.889253 
1 1 1   14    1   23 f   79.407   6.8741   64.184   10.897 -6.800591 13.74816 
1 1 1   14    1   24 o  128.645   4.5128  169.070   11.551 13.51824 9.025586 
1 1 1   14    1   25 o   45.250   9.7766   18.247   11.113 24.91511 19.55322 
1 1 1   14    1   26 o   34.933   9.9227   5.0675   11.084 -10.13436 19.84547 
1 1 1   14    1   27 o   51.686   10.445   28.619   11.818 -16.36329 20.88935 
1 1 1   14    1   28 o   36.363   10.298   5.9860   12.029 -10.57864 20.59529 
1 1 1   14    1   29 o   37.790   10.635   9.0902   12.106 -2.493320 21.26947 
1 1 1   14    1   30 o   39.035   10.899   10.437   12.647 3.616180 21.79774 
1 1 1   14    1   31 o   38.032   10.764   6.8114   12.984 11.72696 21.52783 
1 1 1   14    1   32 f   65.932   10.159   47.349   13.091 -17.16254 20.31727 
1 1 1   14    1   33 o   74.930   8.6608   59.025   12.559 -16.59772 17.32166 
1 1 1   14    2    3 o  356.928   4.2635  1276.30   30.435 0.9062805 8.527077 
1 1 1   14    2    4 o  258.832   4.0352  670.579   20.880 -6.405960 8.070396 
1 1 1   14    2    5 o  109.603   7.4139  120.825   16.248 -0.4541016 14.82771 
1 1 1   14    2    6 f  109.144   7.3751  120.245   16.038 5.540947 14.75028 
1 1 1   14    2    7 f  322.206   4.2078  1040.37   27.112 5.690979 8.415555 
1 1 1   14    2    8 o  279.259   4.1626  781.276   23.221 -1.460571 8.325252 
1 1 1   14    2    9 f   93.213   8.9167   88.421   16.478 12.33356 17.83345 
1 1 1   14    2   10 o   65.057   12.153   44.706   16.716 22.42992 24.30641 
1 1 1   14    2   11 o  165.293   5.4665  273.334   17.978 -23.54672 10.93294 
1 1 1   14    2   12 o   44.314   12.577   10.044   16.971 -1.145634 25.15470 
1 1 1   14    2   13 o  109.308   7.9597  121.025   17.281 -16.94546 15.91946 
1 1 1   14    2   14 o  192.826   4.9958  373.694   19.262 2.804413 9.991527 
1 1 1   14    2   15 o   53.663   13.137   27.258   17.203 -1.464443 26.27330 
1 1 1   14    2   16 o   37.527   11.588  -5.9635   16.831 -7.796402 23.17543 
1 1 1   14    2   17 o  179.611   5.1346  324.269   18.416 14.08955 10.26920 
1 1 1   14    2   18 o  122.116   7.0570  151.348   17.207 -0.8868561 14.11406 
1 1 1   14    2   19 o  113.316   6.5806  132.168   13.597 4.677330 13.16113 
1 1 1   14    2   21 o  204.574   4.9508  419.517   20.256      ?      ? 
1 1 1   14    2   22 o   55.498   9.8233   33.261   10.898 3.804493 19.64653 
1 1 1   14    2   23 o   88.339   6.2461   79.848   10.826 -21.47702 12.49225 
1 1 1   14    2   24 o   55.642   10.024   34.111   11.354 -13.70111 20.04873 
1 1 1   14    2   26 o   56.072   10.065   34.484   11.326 -3.215782 20.12925 
1 1 1   14    2   27 o   68.826   8.9799   50.410   11.969 18.45321 17.95984 
1 1 1   14    2   28 o   28.839   9.2707 -10.0312   11.983 -6.011335 18.54134 
1 1 1   14    2   29 o   48.657   9.4437   21.061   12.235 -37.62561 18.88747 
1 1 1   14    2   30 o   79.574   8.0502   65.897   12.785 6.756683 16.10034 
1 1 1   14    2   31 o   47.773   11.393   23.832   12.949 -3.330799 22.78593 
1 1 1   14    2   32 f   48.871   10.930   23.005   13.139 -22.71338 21.85973 
1 1 1   14    2   33 o   51.654   10.965   28.289   12.625 -17.16674 21.93029 
1 1 1   14    3    3 o  266.804   5.8591  713.105   31.264      ?      ? 
1 1 1   14    3    4 o  362.145   4.2802  1312.92   30.984 8.960236 8.560463 
1 1 1   14    3    5 o  211.921   4.3287  450.228   18.334 2.948273 8.657465 
1 1 1   14    3    6 o  346.598   4.2173  1203.98   29.227 4.141113 8.434666 
1 1 1   14    3    7 o  201.867   4.5618  407.807   18.402 -9.721375 9.123588 
1 1 1   14    3    8 o  115.316   7.2381  136.232   16.348 24.42643 14.47617 
1 1 1   14    3    9 o  191.289   4.8419  367.022   18.475 0.4244232 9.683798 
1 1 1   14    3   10 o  255.733   4.2942  656.021   21.939 13.38228 8.588480 
1 1 1   14    3   11 o  196.732   4.8224  386.231   18.921 -19.26219 9.644764 
1 1 1   14    3   12 o   93.367   8.9999   88.503   16.776 3.956360 17.99971 
1 1 1   14    3   13 o  121.712   6.9564  149.628   16.927 1.573540 13.91276 
1 1 1   14    3   14 o  117.760   7.3626  140.504   17.257 -13.64717 14.72511 
1 1 1   14    3   15 o  124.764   6.9961  157.459   17.357 -17.15728 13.99214 
1 1 1   14    3   16 o  153.358   5.7894  237.157   17.749 2.855774 11.57877 
1 1 1   14    3   17 o  103.464   8.2221  109.071   16.977 9.163971 16.44419 
1 1 1   14    3   18 o  245.534   4.3342  604.707   21.243 9.151917 8.668383 
1 1 1   14    3   19 o   37.567   10.545   6.1342   13.105 11.30661 21.08990 
1 1 1   14    3   22 o   51.703   9.9314   28.610   10.607 7.376198 19.86279 
1 1 1   14    3   23 o   44.097   10.504   19.207   11.013 -4.395599 21.00734 
1 1 1   14    3   24 o   56.095   9.6899   34.130   11.861 28.37614 19.37980 
1 1 1   14    3   25 o   59.882   10.110   38.336   11.944 -4.699459 20.22098 
1 1 1   14    3   26 o   34.198   10.095   3.8898   11.510 -0.6016312 20.19020 
1 1 1   14    3   27 o  112.078   5.4546  127.372   12.210 -7.151894 10.90922 
1 1 1   14    3   28 o   37.777   10.603   9.7032   12.015 3.651970 21.20549 
1 1 1   14    3   29 o  123.083   5.1221  153.694   12.600 5.199684 10.24417 
1 1 1   14    3   30 o   50.627   10.781   27.428   12.655 -19.11025 21.56231 
1 1 1   14    3   31 o  154.090   4.4615  240.167   13.744 5.306091 8.923060 
1 1 1   14    3   32 o   88.026   7.5137   79.925   13.206 -3.980904 15.02735 
1 1 1   14    3   33 o   54.566   10.886   33.756   12.485 -8.349400 21.77269 
1 1 1   14    4    2 o  540.565   7.8747  2931.62   85.135      ?      ? 
1 1 1   14    4    3 o  341.413   6.0308  1167.90   41.180      ?      ? 
1 1 1   14    4    4 o  180.641   4.8664  328.966   17.481 17.93411 9.732742 
1 1 1   14    4    5 o  275.559   4.0434  760.842   22.281 4.123444 8.086887 
1 1 1   14    4    6 o  198.593   4.6481  395.370   18.458 -0.3802185 9.296260 
1 1 1   14    4    7 o  211.111   4.4837  446.898   18.916 10.34518 8.967381 
1 1 1   14    4    8 o  166.066   5.1823  277.121   17.179 11.14091 10.36463 
1 1 1   14    4    9 o   50.521   11.426   18.001   16.056 32.48333 22.85154 
1 1 1   14    4   10 o  279.733   4.1668  776.729   23.195 -27.94974 8.333502 
1 1 1   14    4   11 o  141.633   6.3368  199.403   16.972 -63.82497 12.67352 
1 1 1   14    4   12 o  213.309   4.5180  456.775   19.238 0.6316986 9.035993 
1 1 1   14    4   13 o  123.036   6.8306  151.967   16.715 -18.35510 13.66124 
1 1 1   14    4   14 o  191.726   4.8404  369.891   18.506 5.118378 9.680718 
1 1 1   14    4   15 o  177.350   5.0725  316.433   17.982 2.536194 10.14501 
1 1 1   14    4   16 o  118.602   6.9978  142.237   16.580 -8.081635 13.99570 
1 1 1   14    4   17 o   31.302   10.361 -21.8337   16.271 -1.724815 20.72118 
1 1 1   14    4   18 o   32.331   10.538 -17.8655   15.995 -5.979700 21.07601 
1 1 1   14    4   19 o  156.754   8.2998  249.312   26.020      ?      ? 
1 1 1   14    4   20 f  257.543   6.7020  665.120   34.521      ?      ? 
1 1 1   14    4   22 o   73.178   7.0685   54.588   10.344 1.357750 14.13707 
1 1 1   14    4   23 o   60.482   8.9908   38.709   10.755 -16.56045 17.98150 
1 1 1   14    4   24 o  114.630   5.2281  133.151   11.909 8.175735 10.45618 
1 1 1   14    4   25 o  130.159   4.7265  171.149   12.262 0.7112122E-01 9.453035 
1 1 1   14    4   26 o   36.102   9.3450   0.2132   11.597 25.92358 18.69003 
1 1 1   14    4   27 o  102.787   5.8497  107.152   12.017 0.7631912 11.69946 
1 1 1   14    4   28 o   27.469   9.0114 -12.7100   11.900 1.597740 18.02270 
1 1 1   14    4   29 o   52.445   10.830   30.354   12.158 -6.782166 21.65931 
1 1 1   14    4   30 o   33.816   10.221   1.3167   12.342 -3.197281 20.44256 
1 1 1   14    4   31 o   88.305   7.5498   81.380   13.126 -18.44453 15.09956 
1 1 1   14    4   32 o   61.888   10.594   42.036   13.012 -7.407986 21.18712 
1 1 1   14    4   33 o   88.276   7.0471   82.871   12.336 -15.43858 14.09415 
1 1 1   14    5    2 o  187.244   6.7551  351.479   25.297      ?      ? 
1 1 1   14    5    3 o  322.378   5.9517  1041.32   38.374      ?      ? 
1 1 1   14    5    4 o  239.932   4.1508  576.484   19.900 -2.904938 8.301687 
1 1 1   14    5    5 o  198.980   4.5119  397.697   17.913 13.87149 9.023808 
1 1 1   14    5    6 o  436.730   4.7464  1912.33   41.455 -3.144989 9.492746 
1 1 1   14    5    7 o  286.732   4.1519  819.028   23.732 30.45557 8.303709 
1 1 1   14    5    8 o  244.822   4.2323  601.041   20.659 25.04741 8.464582 
1 1 1   14    5    9 o  313.379   4.1383  984.560   25.923 5.365112 8.276507 
1 1 1   14    5   10 o  287.534   4.3400  714.026   23.165 -128.2113 8.680055 
1 1 1   14    5   11 o  175.991   5.0516  311.749   17.700 4.960892 10.10313 
1 1 1   14    5   12 o  124.816   6.8191  157.965   16.892 5.648506 13.63813 
1 1 1   14    5   13 o  198.932   4.6530  396.527   18.468 -5.996796 9.305938 
1 1 1   14    5   14 o  197.244   4.8011  390.963   18.886 0.9524994 9.602295 
1 1 1   14    5   15 o   60.597   12.885   38.573   16.831 -0.8188705 25.77054 
1 1 1   14    5   16 o  126.037   6.7122  160.204   16.892 -8.525398 13.42445 
1 1 1   14    5   17 o  109.372   7.5954  121.173   16.501 -17.89095 15.19072 
1 1 1   14    5   18 o   43.868   12.086   7.2289   16.410 -19.30793 24.17267 
1 1 1   14    5   19 o  149.091   8.8518  225.424   26.394      ?      ? 
1 1 1   14    5   20 o  230.540   6.9355  533.024   31.978      ?      ? 
1 1 1   14    5   21 o   26.505   12.227 -10.8497   15.150      ?      ? 
1 1 1   14    5   22 o  113.766   4.6528  130.674   10.580 -3.152863 9.305526 
1 1 1   14    5   23 o   24.163   8.0556 -17.6934   10.413 6.587986 16.11113 
1 1 1   14    5   24 f  110.862   5.1504  123.082   11.399 -7.724426 10.30089 
1 1 1   14    5   25 o   27.285   12.700 -13.6932   16.824      ?      ? 
1 1 1   14    5   26 o   61.718   9.6338   42.508   12.035 26.30995 19.26750 
1 1 1   14    5   27 o  116.362   7.4550  136.884   17.350      ?      ? 
1 1 1   14    5   28 o   39.281   10.405   10.489   11.927 -14.97299 20.81008 
1 1 1   14    5   29 o   28.990   9.3357  -9.0333   11.982 -1.394890 18.67146 
1 1 1   14    5   30 o   35.246   10.345   3.6405   12.253 8.646141 20.69030 
1 1 1   14    5   31 o   34.265   10.315  -0.3002   12.855 9.131161 20.62951 
1 1 1   14    5   32 o   81.993   7.9020   69.386   12.943 5.030777 15.80391 
1 1 1   14    5   33 o   19.814   9.9069 -21.2753   16.760      ?      ? 
1 1 1   14    6    2 o  250.789   6.0787  630.282   30.490      ?      ? 
1 1 1   14    6    3 f  250.325   6.0871  627.974   30.475      ?      ? 
1 1 1   14    6    4 o  231.921   4.2106  540.781   19.455 11.18471 8.421188 
1 1 1   14    6    5 o  210.397   4.3886  443.710   18.384 0.1117249 8.777287 
1 1 1   14    6    6 o  267.174   4.0704  714.541   21.714 -4.501465 8.140719 
1 1 1   14    6    7 o   82.131   9.7873   78.861   16.165 79.82684 19.57467 
1 1 1   14    6    8 o  193.257   4.5953  375.361   17.698 18.77583 9.190609 
1 1 1   14    6    9 o  320.163   4.1241  1009.30   26.133 -38.48471 8.248109 
1 1 1   14    6   10 o  364.329   4.3238  1322.27   31.359 -23.87180 8.647608 
1 1 1   14    6   11 o  200.473   4.6171  403.253   18.431 -1.085403 9.234276 
1 1 1   14    6   12 o  111.162   7.3969  124.965   16.290 0.3740768 14.79372 
1 1 1   14    6   13 o   78.788   10.562   65.776   16.068 13.29096 21.12465 
1 1 1   14    6   14 o  141.880   5.9624  204.216   16.796 11.57260 11.92486 
1 1 1   14    6   15 o   62.091   12.469   41.146   16.200 2.467274 24.93803 
1 1 1   14    6   16 o   71.501   11.680   54.797   16.327 -4.700653 23.35998 
1 1 1   14    6   17 o   56.824   11.785   29.229   16.343 -34.24525 23.57089 
1 1 1   14    6   18 o   37.688   11.571  -2.3015   16.380 3.758675 23.14248 
1 1 1   14    6   19 o  233.582   6.7376  548.042   31.475      ?      ? 
1 1 1   14    6   20 o  150.682   9.1924  228.745   27.703      ?      ? 
1 1 1   14    6   21 o  122.388   6.0017  155.121   13.192 6.597710 12.00334 
1 1 1   14    6   22 o  151.134   3.7436  229.753   11.316 0.6498566 7.487153 
1 1 1   14    6   23 o   81.280   6.7749   68.935   10.811 -20.57904 13.54988 
1 1 1   14    6   25 o   56.448   9.2310   34.390   11.039 29.30315 18.46191 
1 1 1   14    6   26 o   90.112   6.5892   83.234   11.865 4.614647 13.17838 
1 1 1   14    6   27 o   27.174   8.9518 -15.1347   11.976 3.304523 17.90355 
1 1 1   14    6   28 o   40.363   10.478   12.154   11.883 14.93200 20.95676 
1 1 1   14    6   29 o   32.434   9.8664  -2.3895   12.167 -8.956347 19.73283 
1 1 1   14    6   30 o   58.124   9.8841   37.760   12.529 -30.95660 19.76817 
1 1 1   14    6   31 o  103.778   6.3030  110.399   13.045 10.79216 12.60595 
1 1 1   14    6   32 o  101.985   8.7629  106.146   17.874      ?      ? 
1 1 1   14    7    2 o  285.983   6.0420  819.649   34.558      ?      ? 
1 1 1   14    7    3 o  397.108   6.4794  1580.95   51.460      ?      ? 
1 1 1   14    7    4 o  344.622   4.2009  1188.86   28.880 -5.189331 8.401714 
1 1 1   14    7    5 o  194.239   4.5834  378.359   17.665 0.4622955 9.166891 
1 1 1   14    7    6 o  348.209   4.2114  1215.36   29.299 1.538269 8.422729 
1 1 1   14    7    7 o  337.280   4.1619  1139.36   28.045 -3.886871 8.323737 
1 1 1   14    7    8 o  210.734   4.3799  444.142   18.436 -9.651230 8.759845 
1 1 1   14    7    9 o  269.593   4.1174  716.154   21.994 -34.64928 8.234840 
1 1 1   14    7   10 o  196.279   4.6356  386.132   18.129 -3.225388 9.271120 
1 1 1   14    7   11 f  155.114   5.3280  242.694   16.448 5.358368 10.65604 
1 1 1   14    7   12 o  146.423   5.5787  214.917   16.283 -5.969452 11.15747 
1 1 1   14    7   13 o   77.778   10.222   62.301   15.450 -20.73627 20.44381 
1 1 1   14    7   14 f  142.666   5.7667  204.880   16.433 -2.627869 11.53346 
1 1 1   14    7   15 o   30.330   10.044 -23.1282   15.576 5.676636 20.08792 
1 1 1   14    7   16 o   35.999   10.770  -9.4426   15.329 -18.14315 21.54092 
1 1 1   14    7   17 o   99.965   8.3041  102.545   16.509 9.560532 16.60818 
1 1 1   14    7   18 o  155.908   5.8043  247.417   18.031 10.65155 11.60866 
1 1 1   14    7   19 o  226.122   6.6917  512.700   30.263      ?      ? 
1 1 1   14    7   20 o   27.308   9.2024 -21.5819   13.370 -1.038300 18.40477 
1 1 1   14    7   21 o   72.443   10.048   62.937   12.669 24.50209 20.09507 
1 1 1   14    7   22 o   60.135   9.0283   38.474   10.765 -18.28880 18.05670 
1 1 1   14    7   23 o   20.648   7.2205 -36.8455   11.122 4.130341 14.44097 
1 1 1   14    7   24 o   51.929   10.370   28.681   11.239 0.8192024 20.74069 
1 1 1   14    7   25 o   59.016   9.6525   38.146   11.236 11.48817 19.30500 
1 1 1   14    7   26 o   44.344   10.841   18.950   11.859 -7.478115 21.68174 
1 1 1   14    7   27 o   25.858   8.6264 -18.7666   11.873 -5.001003 17.25277 
1 1 1   14    7   28 o   75.802   8.2531   60.529   12.142 12.29359 16.50629 
1 1 1   14    7   29 o   75.212   8.5026   59.538   12.460 11.02457 17.00522 
1 1 1   14    7   30 o   46.850   10.269   18.345   12.675 30.44781 20.53735 
1 1 1   14    7   31 o   83.089   7.8174   71.628   12.952 -1.440903 15.63485 
1 1 1   14    7   32 f   44.990   11.021   18.857   12.646 14.28034 22.04276 
1 1 1   14    8    1 o  355.721   6.0975  1268.27   43.380      ?      ? 
1 1 1   14    8    2 o  305.569   5.9828  935.780   36.563      ?      ? 
1 1 1   14    8    3 o  138.583   8.9222  192.992   24.729      ?      ? 
1 1 1   14    8    4 o  176.219   4.7562  308.824   16.654 -12.15147 9.512415 
1 1 1   14    8    5 o  141.605   5.6841  201.434   15.969 0.7661133 11.36819 
1 1 1   14    8    6 o  143.205   5.7370  209.623   16.120 18.63141 11.47390 
1 1 1   14    8    7 o  349.580   4.2235  1225.31   29.519 8.180969 8.446946 
1 1 1   14    8    8 o  235.083   4.2301  552.449   19.806 -7.282181 8.460132 
1 1 1   14    8    9 o  276.305   4.1536  764.988   22.861 -2.946075 8.307117 
1 1 1   14    8   10 o  113.408   7.2315  129.289   16.321 -5.537392 14.46304 
1 1 1   14    8   11 o  369.022   4.3392  1364.71   31.969 -8.862183 8.678332 
1 1 1   14    8   12 o  212.160   4.4854  452.130   18.955 1.388367 8.970867 
1 1 1   14    8   13 o  171.691   5.0453  294.142   17.187 -9.928299 10.09066 
1 1 1   14    8   14 o  144.348   5.7349  210.164   16.517 1.395905 11.46980 
1 1 1   14    8   15 o  100.524   7.6953  103.020   15.422 8.691628 15.39069 
1 1 1   14    8   16 o   45.087   12.221   15.113   15.437 -2.818951 24.44283 
1 1 1   14    8   17 f   81.664   9.9924   70.056   15.947 8.124016 19.98474 
1 1 1   14    8   18 o  163.555   5.6962  270.072   18.458 -28.75383 11.39241 
1 1 1   14    8   19 o   95.540   12.571   92.323   24.020      ?      ? 
1 1 1   14    8   20 o   75.519   9.8644   66.456   13.171 21.59248 19.72883 
1 1 1   14    8   21 o  102.669   6.5999  107.589   12.762 1.343971 13.19974 
1 1 1   14    8   22 o   60.924   10.897   38.916   12.757 -13.64632 21.79333 
1 1 1   14    8   23 o   64.759   12.637   43.976   15.783      ?      ? 
1 1 1   14    8   24 o   28.027   12.726  -7.7705   15.478      ?      ? 
1 1 1   14    8   25 o   27.106   8.8562 -11.5824   11.303 1.684034 17.71230 
1 1 1   14    8   26 o  125.884   6.9319  159.977   17.452      ?      ? 
1 1 1   14    8   27 o   51.116   10.627   28.840   11.713 -8.072948 21.25376 
1 1 1   14    8   28 o   68.720   9.1322   50.952   12.121 24.25704 18.26443 
1 1 1   14    8   29 o  101.996   6.1109  106.736   12.430 -1.938492 12.22174 
1 1 1   14    8   30 o   93.018   6.7961   88.167   12.523 18.15446 13.59227 
1 1 1   14    8   31 o  102.089   6.3336  105.537   12.867 14.09614 12.66730 
1 1 1   14    8   32 o   92.118   6.8853   88.713   12.543 17.44288 13.77061 
1 1 1   14    9    1 f  174.576   7.2573  305.748   25.339      ?      ? 
1 1 1   14    9    2 o   71.023   16.703   53.320   23.354      ?      ? 
1 1 1   14    9    3 o  172.635   7.1430  298.962   24.663      ?      ? 
1 1 1   14    9    4 o  269.621   4.0197  729.346   21.647 9.413544 8.039463 
1 1 1   14    9    5 o  273.622   4.0156  748.160   21.892 -8.271423 8.031250 
1 1 1   14    9    6 o  128.910   6.3375  163.934   16.091 -31.69650 12.67504 
1 1 1   14    9    7 o  138.985   5.9556  190.130   16.274 -36.02113 11.91116 
1 1 1   14    9    8 o  151.100   5.6355  230.910   16.842 6.397125 11.27105 
1 1 1   14    9    9 o  135.623   6.2244  187.247   16.644 9.891190 12.44888 
1 1 1   14    9   10 o  128.885   6.3856  169.020   16.271 10.35131 12.77122 
1 1 1   14    9   11 o  279.193   4.1441  780.992   23.063 -4.500641 8.288256 
1 1 1   14    9   12 o  201.663   4.6283  406.248   18.477 -7.621887 9.256591 
1 1 1   14    9   13 o  217.318   4.4219  471.174   19.048 -10.67090 8.843862 
1 1 1   14    9   14 o   32.745   10.580 -13.8748   15.330 -5.332090 21.15990 
1 1 1   14    9   15 o   88.782   8.9375   80.648   15.706 0.1242599 17.87502 
1 1 1   14    9   16 o  181.633   4.7971  333.011   17.315 3.984436 9.594114 
1 1 1   14    9   18 o  332.857   4.3516  1090.89   28.706 -46.73337 8.703101 
1 1 1   14    9   19 o   51.054   10.215   30.044   13.350 30.30705 20.43070 
1 1 1   14    9   20 o   39.870   10.947   11.430   12.399 2.234886 21.89374 
1 1 1   14    9   21 o   48.911   10.609   26.035   12.433 18.48619 21.21876 
1 1 1   14    9   22 o  126.623   8.8861  164.361   22.504      ?      ? 
1 1 1   14    9   24 o   99.849   5.6231  101.470   11.185 -0.3251190 11.24624 
1 1 1   14    9   25 o   85.421   6.8977   74.444   11.735 10.94061 13.79536 
1 1 1   14    9   26 o   85.087   6.9430   73.510   11.767 10.33400 13.88593 
1 1 1   14    9   27 o   29.830   9.3866  -5.4680   11.485 -3.511423 18.77323 
1 1 1   14    9   28 o   99.562   6.1102  102.796   11.964 -10.68140 12.22048 
1 1 1   14    9   29 o   60.803   9.4431   42.393   12.074 -36.36108 18.88613 
1 1 1   14    9   30 o   29.712   9.5627  -8.9853   12.505 0.8235989 19.12546 
1 1 1   14    9   31 o   93.050   9.3546   88.539   17.409      ?      ? 
1 1 1   14   10    1 o  357.384   6.0935  1280.30   43.555      ?      ? 
1 1 1   14   10    2 o  245.320   5.9888  603.239   29.383      ?      ? 
1 1 1   14   10    3 o  315.352   5.8732  996.798   37.042      ?      ? 
1 1 1   14   10    4 f  201.328   4.4035  404.062   17.587 -8.813293 8.807081 
1 1 1   14   10    5 o  114.640   7.0823  127.690   15.393 -51.99689 14.16466 
1 1 1   14   10    6 o   34.668   10.762  -7.8782   15.114 7.671949 21.52330 
1 1 1   14   10    7 o   35.193   10.949  -6.1089   15.210 3.779575 21.89897 
1 1 1   14   10    8 o  148.999   5.5497  223.706   16.295 1.422028 11.09947 
1 1 1   14   10    9 o  134.416   5.9619  181.639   15.911 -1.568588 11.92378 
1 1 1   14   10   10 o  240.247   4.1429  575.313   19.772 -12.80745 8.285758 
1 1 1   14   10   11 o   81.406   10.165   73.032   15.358 22.63856 20.32971 
1 1 1   14   10   12 o  153.068   5.3385  233.589   16.103 -8.169891 10.67691 
1 1 1   14   10   13 o  120.283   6.5483  145.463   15.614 -5.146797 13.09657 
1 1 1   14   10   14 o  119.588   6.4679  143.327   15.307 -7.707466 12.93579 
1 1 1   14   10   15 o  122.668   6.5199  152.857   15.814 2.905464 13.03971 
1 1 1   14   10   17 o  193.584   5.0014  377.706   19.241 7.884476 10.00280 
1 1 1   14   10   18 o   95.886   9.3662   93.274   17.905 -2.328766 18.73231 
1 1 1   14   10   19 o   48.303   11.226   24.986   12.263 7.680531 22.45134 
1 1 1   14   10   20 o   41.056   11.364   7.5594   12.231 -19.06804 22.72871 
1 1 1   14   10   21 o   59.461   11.103   40.207   12.527 4.855072 22.20655 
1 1 1   14   10   22 o  108.999   10.735  120.151   23.402      ?      ? 
1 1 1   14   10   23 o  132.040   5.4858  169.982   13.413 -13.12526 10.97169 
1 1 1   14   10   24 o   37.786   10.247   10.601   10.939 6.848808 20.49483 
1 1 1   14   10   25 f   68.204   8.6924   48.926   11.529 -4.439857 17.38478 
1 1 1   14   10   26 o   22.054   7.6741 -32.0886   11.568 3.920059 15.34830 
1 1 1   14   10   27 o  139.967   4.4526  197.095   12.333 5.166107 8.905122 
1 1 1   14   10   28 o   44.349   10.982   18.576   11.984 9.593487 21.96305 
1 1 1   14   10   29 o   56.837   10.552   34.835   12.266 15.98998 21.10475 
1 1 1   14   10   30 o  118.023   5.5989  142.113   13.193 -4.660126 11.19780 
1 1 1   14   10   31 o   53.315   10.452   30.508   12.172 20.89483 20.90358 
1 1 1   14   11    0 o  280.564   5.8686  789.348   32.930      ?      ? 
1 1 1   14   11    1 f  244.328   6.0938  598.758   29.778      ?      ? 
1 1 1   14   11    2 o  263.999   5.9580  699.014   31.458      ?      ? 
1 1 1   14   11    3 o  221.316   6.2405  491.469   27.622      ?      ? 
1 1 1   14   11    4 o  163.635   4.9716  270.264   16.087 5.708969 9.943161 
1 1 1   14   11    5 f  226.499   4.0985  513.264   18.371 -4.214233 8.196979 
1 1 1   14   11    6 o  186.643   4.5038  348.755   16.642 -3.684677 9.007553 
1 1 1   14   11    7 o  126.472   6.1483  162.418   15.303 6.395851 12.29651 
1 1 1   14   11    8 o  144.058   5.5084  208.432   15.636 -1.040237 11.01688 
1 1 1   14   11    9 o  109.855   6.9323  120.744   15.140 -8.773079 13.86451 
1 1 1   14   11   10 o  205.659   4.2398  421.331   17.267 -10.79794 8.479583 
1 1 1   14   11   11 o  160.846   5.0111  259.393   15.855 -2.769547 10.02214 
1 1 1   14   11   12 o  281.371   4.0002  795.299   22.387 0.6829834 8.000422 
1 1 1   14   11   13 f  222.175   4.2005  494.100   18.575 -8.933105 8.401093 
1 1 1   14   11   14 o  141.740   5.6716  202.535   15.979 -1.610489 11.34311 
1 1 1   14   11   16 o  234.426   4.5919  549.454   21.075 65.76283 9.183728 
1 1 1   14   11   17 o  178.298   5.2890  313.217   18.682 -25.68927 10.57802 
1 1 1   14   11   18 o   41.743   12.233   7.8578   16.790 2.825752 24.46575 
1 1 1   14   11   19 o  171.414   4.5263  293.908   13.406 -1.981613 9.052515 
1 1 1   14   11   20 f   64.377   10.472   46.072   12.400 9.465233 20.94383 
1 1 1   14   11   21 f   40.712   11.299   11.295   12.646 -5.882977 22.59853 
1 1 1   14   11   22 o  109.867   6.3541  123.839   12.906 5.009460 12.70825 
1 1 1   14   11   23 o   34.779   10.648   0.5665   12.736 -5.817560 21.29670 
1 1 1   14   11   24 o   27.079   9.2519 -26.4441   13.177 -10.40907 18.50388 
1 1 1   14   11   25 o  103.348   5.5792  108.265   11.504 9.718048 11.15849 
1 1 1   14   11   26 o  119.636   4.9485  144.661   11.818 5.584045 9.897019 
1 1 1   14   11   27 o   37.307   10.498   7.9997   11.897 8.260105 20.99694 
1 1 1   14   11   28 o  109.558   5.6709  122.253   12.400 6.758842 11.34187 
1 1 1   14   11   29 o   61.964   10.237   42.228   12.487 9.093925 20.47316 
1 1 1   14   11   30 o  106.879   8.5502  116.358   18.277      ?      ? 
1 1 1   14   11   31 o   49.369   12.395   23.297   15.214 -20.33551 24.79008 
1 1 1   14   12    0 o  155.238   5.2227  241.907   16.164 -3.095749 10.44541 
1 1 1   14   12    1 o  174.935   6.9764  307.523   24.408      ?      ? 
1 1 1   14   12    2 o  150.628   7.6637  228.237   23.087      ?      ? 
1 1 1   14   12    3 o  231.263   3.9690  535.799   18.223 -2.471100 7.937912 
1 1 1   14   12    4 o  123.995   5.9561  155.665   14.512 3.953117 11.91225 
1 1 1   14   12    5 o  164.663   4.7184  272.056   15.357 -0.8807831 9.436740 
1 1 1   14   12    6 o  145.404   5.2145  213.955   14.907 5.897018 10.42903 
1 1 1   14   12    7 o  158.170   4.8668  249.141   15.171 -7.711304 9.733676 
1 1 1   14   12    8 o   90.438   8.1986   85.154   14.306 11.33884 16.39729 
1 1 1   14   12    9 o  190.883   4.3855  364.705   16.608 -4.958710 8.770947 
1 1 1   14   12   10 o   87.826   8.3090   78.270   14.359 -0.8479385 16.61795 
1 1 1   14   12   11 o   36.984   11.101   0.9962   14.484 3.235306 22.20169 
1 1 1   14   12   12 o   92.185   8.1629   86.543   14.822 -0.3379669 16.32579 
1 1 1   14   12   13 o   51.923   12.362   26.509   15.193 -5.441177 24.72487 
1 1 1   14   12   14 f   33.964   10.733 -16.2987   15.818 -15.01546 21.46528 
1 1 1   14   12   15 o  123.978   9.3625  183.925   17.174 110.2305 18.72493 
1 1 1   14   12   16 o  242.777   4.5593  586.408   21.980 -14.55342 9.118511 
1 1 1   14   12   17 o   44.894   11.811   7.4222   17.642 26.21978 23.62201 
1 1 1   14   12   18 o   81.253   10.746   71.099   16.732 9.011063 21.49256 
1 1 1   14   12   19 o   46.091   11.601   16.441   12.308 -17.11163 23.20260 
1 1 1   14   12   20 o   70.298   9.9767   59.508   12.589 19.83875 19.95344 
1 1 1   14   12   21 o  153.627   4.7572  255.096   13.342 35.29475 9.514472 
1 1 1   14   12   22 o   85.848   8.5885   81.317   12.830 12.95451 17.17692 
1 1 1   14   12   23 o   33.583   10.079  -2.4800   13.289 10.61323 20.15873 
1 1 1   14   12   24 o  137.883   5.6301  190.564   14.210 -2.844040 11.26013 
1 1 1   14   12   25 o  134.358   6.0515  186.217   14.584 3.016937 12.10292 
1 1 1   14   12   26 o   63.473   9.5607   43.882   11.792 11.76232 19.12135 
1 1 1   14   12   27 o   90.954   6.6736   84.693   12.113 8.141357 13.34712 
1 1 1   14   12   28 o   65.058   9.6147   46.349   12.099 2.141464 19.22931 
1 1 1   14   12   30 f   70.324   13.062   53.231   17.683      ?      ? 
1 1 1   14   13    0 o  191.492   4.3994  367.506   16.828 -5.261429 8.798800 
1 1 1   14   13    1 f  211.849   4.1704  446.845   17.600 -19.15468 8.340803 
1 1 1   14   13    2 o  144.769   7.8196  210.802   22.641      ?      ? 
1 1 1   14   13    3 o  103.247   7.1081  112.841   13.862 19.58202 14.21625 
1 1 1   14   13    4 o  146.526   5.0875  213.567   14.656 -7.763199 10.17498 
1 1 1   14   13    5 o   76.709   9.3836   58.927   13.848 -22.69464 18.76730 
1 1 1   14   13    6 o   40.298   11.292   8.6729   13.910 6.742447 22.58343 
1 1 1   14   13    7 o   73.100   9.9518   56.353   13.960 6.742989 19.90350 
1 1 1   14   13    8 o   64.056   11.085   42.508   13.966 -13.14340 22.17054 
1 1 1   14   13    9 o   39.020   11.415   5.2034   14.334 -3.194447 22.83036 
1 1 1   14   13   10 o  110.264   6.8499  126.227   14.652 14.15945 13.69979 
1 1 1   14   13   11 f   50.440   11.434   24.903   14.443 20.49736 22.86827 
1 1 1   14   13   12 o  102.581   7.4771  105.301   15.186 -11.25037 14.95428 
1 1 1   14   13   13 o   24.611   8.6164 -49.7390   15.711 -2.417395 17.23290 
1 1 1   14   13   14 o  136.023   7.6570  205.435   17.529 93.01999 15.31394 
1 1 1   14   13   15 o  278.746   4.3380  775.606   24.135 19.17102 8.676048 
1 1 1   14   13   16 o  113.587   8.4171  149.900   19.780 -164.4898 16.83414 
1 1 1   14   13   17 o  176.718   5.4186  316.288   19.111 13.05925 10.83722 
1 1 1   14   13   18 o   87.834   9.4099   79.509   16.480 -7.807930 18.81973 
1 1 1   14   13   19 o   37.781   11.430   3.5374   15.383 1.210934 22.85939 
1 1 1   14   13   20 o  196.304   3.8045  374.988   14.099 -16.91988 7.608925 
1 1 1   14   13   21 o   33.924   10.316   0.6290   12.405 0.4547081 20.63272 
1 1 1   14   13   22 o   82.411   9.3999   78.190   13.247 19.57246 18.79973 
1 1 1   14   13   23 o  141.555   5.4790  195.501   14.397 -13.61409 10.95805 
1 1 1   14   13   24 o   39.677   11.387   9.2193   13.802 1.891197 22.77474 
1 1 1   14   13   25 o   30.762   10.005 -11.1167   13.662 -0.7469368E-01 20.00903 
1 1 1   14   13   26 o   72.772   10.767   57.519   14.226 2.922028 21.53357 
1 1 1   14   13   27 o  104.121   5.8612  111.244   12.171 -3.349701 11.72233 
1 1 1   14   13   28 o  104.714   6.1076  112.429   12.764 -6.835709 12.21517 
1 1 1   14   13   29 o  113.773   5.7675  131.374   13.110 -5.242065 11.53509 
1 1 1   14   13   30 o   73.181   12.483   60.689   17.930 22.26082 24.96578 
1 1 1   14   14    0 o  341.244   4.1197  1169.07   28.106 10.83923 8.239496 
1 1 1   14   14    1 o  244.748   4.0091  602.440   19.571 9.198669 8.018198 
1 1 1   14   14    2 o  324.559   5.8304  1057.33   37.846      ?      ? 
1 1 1   14   14    3 o  273.426   3.8591  749.502   20.983 -1.985474 7.718195 
1 1 1   14   14    4 o  282.412   3.8170  799.513   21.456 -2.463715 7.633901 
1 1 1   14   14    5 o  176.266   4.4186  312.949   15.423 3.563766 8.837212 
1 1 1   14   14    6 o   77.678   9.3725   63.149   13.921 5.424683 18.74500 
1 1 1   14   14    7 o  126.787   5.8575  164.628   14.406 8.804306 11.71503 
1 1 1   14   14    8 o   62.942   11.091   43.807   14.000 13.20730 22.18231 
1 1 1   14   14    9 o  164.836   4.7835  271.736   15.576 -6.531433 9.566933 
1 1 1   14   14   10 o  167.646   4.7874  281.413   15.832 -5.168030 9.574700 
1 1 1   14   14   11 o  145.086   5.3710  213.563   15.397 5.433044 10.74199 
1 1 1   14   14   12 o  124.177   6.8117  164.269   16.140 30.79560 13.62345 
1 1 1   14   14   13 o  221.817   4.4390  495.526   19.388 50.27228 8.878008 
1 1 1   14   14   14 o  348.670   4.4316  1009.50   27.837 -145.9658 8.863270 
1 1 1   14   14   15 o   31.188   10.472 -28.7219   17.756 4.328474 20.94308 
1 1 1   14   14   16 o  259.607   4.3578  677.302   22.597 17.25436 8.715611 
1 1 1   14   14   17 o  267.459   4.2562  721.294   22.747 11.74402 8.512402 
1 1 1   14   14   18 o   78.864   10.278   67.379   15.687 -54.19398 20.55675 
1 1 1   14   14   19 o  117.200   6.3766  140.429   14.738 11.86299 12.75330 
1 1 1   14   14   20 o   41.008   9.3151   12.902   11.728 26.83486 18.63024 
1 1 1   14   14   21 o   74.152   9.8466   71.749   12.496 38.28818 19.69312 
1 1 1   14   14   22 o   99.121   7.8328  104.587   13.912 8.526344 15.66556 
1 1 1   14   14   23 o   96.956   7.8163   92.820   13.952 -8.190689 15.63255 
1 1 1   14   14   24 o   57.819   11.673   37.740   13.493 4.353100 23.34635 
1 1 1   14   14   25 o   55.899   11.729   36.219   13.874 10.54976 23.45769 
1 1 1   14   14   26 o   42.617   10.888   14.379   14.315 19.24904 21.77580 
1 1 1   14   14   27 o   49.299   11.113   26.596   14.504 23.24498 22.22573 
1 1 1   14   14   28 o   56.626   10.755   35.505   12.426 1.397430 21.51058 
1 1 1   14   14   29 o   96.707   9.2240   95.786   17.841      ?      ? 
1 1 1   14   15    0 o  237.925   3.9465  567.707   18.697 -2.452393 7.893072 
1 1 1   14   15    1 o  144.833   5.1465  210.327   14.849 -6.023331 10.29296 
1 1 1   14   15    2 o  100.260   7.1907  100.682   14.336 -12.65422 14.38135 
1 1 1   14   15    3 o  204.167   4.0285  415.475   16.189 -8.185989 8.056946 
1 1 1   14   15    4 o  225.742   3.8948  509.836   17.297 -4.322937 7.789564 
1 1 1   14   15    5 o  176.537   6.7886  313.703   23.969      ?      ? 
1 1 1   14   15    6 o  173.411   4.4674  300.994   15.273 -4.753571 8.934721 
1 1 1   14   15    7 o  112.938   6.4469  128.561   14.320 -2.349403 12.89388 
1 1 1   14   15    8 o  177.993   4.6014  321.377   16.167 10.50296 9.202726 
1 1 1   14   15    9 o  160.249   4.8853  261.202   15.417 10.33244 9.770648 
1 1 1   14   15   10 o   26.878   9.0554 -30.7483   14.418 7.057526 18.11085 
1 1 1   14   15   11 o  151.396   5.2245  224.860   15.593 -26.23189 10.44898 
1 1 1   14   15   12 o  332.221   4.0711  1104.41   26.970 -6.102966 8.142148 
1 1 1   14   15   13 o  124.127   8.7575  156.109   15.618 -162.7480 17.51499 
1 1 1   14   15   14 o   82.754   10.280   80.449   15.532 36.96048 20.55948 
1 1 1   14   15   15 o   54.529   12.127   31.515   15.320 13.55566 24.25330 
1 1 1   14   15   16 o  120.657   6.8822  152.170   16.099 16.43581 13.76445 
1 1 1   14   15   18 o   70.289   9.3592   63.208   14.794 66.62453 18.71830 
1 1 1   14   15   19 o  124.009   6.3994  151.177   15.024 -56.57663 12.79881 
1 1 1   14   15   20 o   25.033   8.5109 -21.7472   11.899 -1.980738 17.02174 
1 1 1   14   15   21 f   27.966   9.4815 -27.7088   13.115 -15.13591 18.96300 
1 1 1   14   15   22 o  193.017   4.4486  375.219   15.482 0.3626099 8.897226 
1 1 1   14   15   23 o   47.759   11.341   25.170   13.647 14.49885 22.68128 
1 1 1   14   15   24 o  102.179   7.3968   99.229   13.916 -19.51659 14.79351 
1 1 1   14   15   25 o   39.221   11.188   8.3940   14.146 7.491596 22.37533 
1 1 1   14   15   26 o   50.768   12.352   21.686   14.482 -22.75651 24.70459 
1 1 1   14   15   27 o   57.562   12.217   28.802   14.505 -30.54346 24.43501 
1 1 1   14   15   28 o  109.379   7.4301  114.131   14.429 -15.83067 14.86016 
1 1 1   14   15   29 f   59.377   9.6887   41.313   12.189 -32.65707 19.37737 
1 1 1   14   16    0 o  239.479   3.8099  575.961   18.246 4.295776 7.619800 
1 1 1   14   16    1 f  252.013   3.8207  637.463   19.237 -3.026947 7.641381 
1 1 1   14   16    2 o  261.981   3.8483  689.946   20.135 5.040588 7.696681 
1 1 1   14   16    3 o  318.648   3.4484  998.458   19.852 -14.28629 6.896788 
1 1 1   14   16    4 o  170.695   4.4685  298.842   14.913 20.87367 8.936909 
1 1 1   14   16    5 o  133.752   5.2998  179.466   13.989 -3.857788 10.59964 
1 1 1   14   16    6 o  124.018   5.8981  157.209   14.267 7.389526 11.79620 
1 1 1   14   16    7 o   93.867   7.8542   93.030   14.126 15.18526 15.70835 
1 1 1   14   16    8 o  122.665   6.3362  157.162   15.047 18.22848 12.67248 
1 1 1   14   16   10 o  225.489   4.1270  450.362   17.487 -95.30771 8.253973 
1 1 1   14   16   11 o  266.549   3.9770  706.214   20.990 53.02858 7.953969 
1 1 1   14   16   12 o   43.270   10.561   9.1172   14.316 28.31179 21.12199 
1 1 1   14   16   13 o   89.670   8.8615   88.142   14.620 19.69903 17.72294 
1 1 1   14   16   14 o  136.870   5.8459  188.666   15.764 -4.653412 11.69186 
1 1 1   14   16   15 o  162.446   5.1850  271.500   16.364 14.27176 10.36997 
1 1 1   14   16   17 o  108.079   8.8699  142.297   14.726 41.23742 17.73972 
1 1 1   14   16   18 o  107.799   7.4012  121.040   14.298 7.130478 14.80249 
1 1 1   14   16   19 o   26.776   9.0561 -33.4520   14.922 7.246279 18.11212 
1 1 1   14   16   20 o   41.116   11.649   1.5633   16.006 -22.02596 23.29893 
1 1 1   14   16   21 f  233.469   3.9445  551.373   16.913 3.716705 7.889007 
1 1 1   14   16   22 o   48.551   11.403   26.186   13.794 14.73809 22.80610 
1 1 1   14   16   23 o  184.068   4.5675  336.004   15.193 -7.525070 9.135083 
1 1 1   14   16   24 o   37.766   11.015   5.4175   14.116 7.499569 22.03058 
1 1 1   14   16   25 o   46.366   12.211   20.120   14.336 -2.801392 24.42142 
1 1 1   14   16   26 o   44.856   12.260   16.185   14.614 -6.263718 24.51989 
1 1 1   14   16   27 o   76.980   11.022   66.822   14.762 11.16026 22.04415 
1 1 1   14   16   28 o   48.378   11.043   26.487   13.479 18.49104 22.08542 
1 1 1   14   17    0 o  119.399   5.4827  145.173   12.960 17.48518 10.96538 
1 1 1   14   17    1 o  128.821   5.2252  167.521   13.450 4.776642 10.45034 
1 1 1   14   17    2 o  248.808   3.7023  622.060   18.412 9.860275 7.404615 
1 1 1   14   17    3 o  133.888   4.6879  196.187   10.884 26.09953 9.375827 
1 1 1   14   17    4 o   78.484   8.7654   67.379   12.757 22.19197 17.53070 
1 1 1   14   17    5 o  133.881   5.7316  192.137   14.369 29.21432 11.46328 
1 1 1   14   17    6 o  114.106   6.5747  131.711   14.522 -1.890419 13.14947 
1 1 1   14   17    7 o   83.175   9.5007   65.984   14.479 -52.22698 19.00138 
1 1 1   14   17    8 f  279.583   4.0133  784.577   22.349 5.336517 8.026527 
1 1 1   14   17    9 o  235.258   4.2076  541.182   19.206 81.18883 8.415262 
1 1 1   14   17   10 o  130.751   6.6257  194.545   15.180 63.77214 13.25140 
1 1 1   14   17   11 o   23.168   8.1596 -48.2095   13.940 -7.481630 16.31918 
1 1 1   14   17   12 o  217.816   4.1509  473.287   17.820 -10.85062 8.301888 
1 1 1   14   17   13 f  109.673   7.0894  121.159   15.127 -5.841049 14.17879 
1 1 1   14   17   14 o  240.894   4.1302  573.205   19.460 -21.18744 8.260485 
1 1 1   14   17   16 o  224.984   5.4906  521.117   20.760 167.7832 10.98110 
1 1 1   14   17   17 o   75.563   10.005   50.345   13.556 -31.88355 20.00950 
1 1 1   14   17   18 f   99.994   8.0494  108.610   14.486 14.11729 16.09880 
1 1 1   14   17   19 o   30.941   10.221 -25.3629   15.390 -14.58209 20.44284 
1 1 1   14   17   20 o  128.959   6.6476  170.713   16.942 9.002899 13.29513 
1 1 1   14   17   21 o   51.394   11.498   30.343   13.679 13.31546 22.99643 
1 1 1   14   17   22 o  111.726   7.0429  131.631   13.873 8.141602 14.08577 
1 1 1   14   17   23 o   79.039   9.8219   61.381   13.969 -15.06403 19.64375 
1 1 1   14   17   24 o   41.671   11.897   11.468   14.293 -5.471004 23.79419 
1 1 1   14   17   25 o   48.563   11.808   24.713   14.722 13.41073 23.61558 
1 1 1   14   17   26 f  135.697   6.1132  182.105   15.389 -10.43715 12.22633 
1 1 1   14   17   27 o   52.300   12.311   28.249   14.203 -3.643597 24.62242 
1 1 1   14   18    0 o  179.475   4.5766  284.154   14.620 -118.9586 9.153131 
1 1 1   14   18    1 o  188.394   5.2666  284.709   15.529 -175.6489 10.53322 
1 1 1   14   18    2 o  178.099   3.6976  313.534   11.941 -5.920868 7.395127 
1 1 1   14   18    3 o  153.891   4.9443  239.254   14.967 35.23349 9.888514 
1 1 1   14   18    4 o  194.150   6.0797  377.974   23.607      ?      ? 
1 1 1   14   18    5 o  277.910   5.8362  773.938   32.439      ?      ? 
1 1 1   14   18    6 f  290.097   4.1009  807.447   23.192 88.39268 8.201792 
1 1 1   14   18    7 o  291.486   4.0805  833.086   23.444 68.54062 8.161048 
1 1 1   14   18    8 o  100.840   7.6161  108.034   14.735 20.52850 15.23217 
1 1 1   14   18    9 o  121.616   5.9977  146.168   14.307 -18.25805 11.99541 
1 1 1   14   18   10 o   27.692   9.2801 -20.2352   13.334 -1.829817 18.56016 
1 1 1   14   18   11 o   49.041   12.023   22.161   13.974 -10.66446 24.04564 
1 1 1   14   18   12 o   46.776   12.085   19.494   14.281 -3.862194 24.16958 
1 1 1   14   18   14 o  210.513   4.5321  439.559   18.461 -12.69025 9.064245 
1 1 1   14   18   15 o  262.985   5.1377  611.750   23.467 190.6978 10.27540 
1 1 1   14   18   16 f  116.408   7.1070  133.181   15.299 -11.61974 14.21404 
1 1 1   14   18   17 o   27.904   9.5043 -28.2005   15.123 -2.551748 19.00865 
1 1 1   14   18   18 o   33.071   10.663 -27.6832   16.365 -19.96190 21.32546 
1 1 1   14   18   19 o  223.279   4.5522  508.677   20.079 27.42604 9.104340 
1 1 1   14   18   20 o   46.737   12.734   16.778   16.810 -12.80122 25.46870 
1 1 1   14   18   21 o   41.934   12.297   7.8556   16.741 -3.245037 24.59461 
1 1 1   14   18   22 o   87.431   9.5685   91.466   13.621 26.41645 19.13702 
1 1 1   14   18   23 o  132.525   5.9743  180.178   14.559 1.939957 11.94850 
1 1 1   14   18   24 o   47.674   12.257   21.485   14.385 -5.243046 24.51369 
1 1 1   14   18   25 o   34.856   11.010  -5.5422   14.605 -9.332424 22.02039 
1 1 1   14   18   26 o   79.480   9.6244   60.477   14.092 -23.08385 19.24879 
1 1 1   14   18   27 o   37.440   9.1369   28.177   13.493 32.52481 18.27390 
1 1 1   14   19    0 o  194.224   4.0132  378.264   15.498 0.7539368E-01 8.026328 
1 1 1   14   19    1 o  178.087   4.1997  319.074   14.890 6.523376 8.399413 
1 1 1   14   19    2 o  130.061   5.5241  171.120   14.287 10.92210 11.04818 
1 1 1   14   19    3 o  104.198   6.9420  109.830   14.270 -22.94818 13.88410 
1 1 1   14   19    4 o   72.725   10.054   55.558   14.324 -14.45556 20.10896 
1 1 1   14   19    5 o   62.338   11.281   42.049   14.164 -14.13481 22.56258 
1 1 1   14   19    6 o   92.968   7.3736   85.868   13.437 -15.70197 14.74725 
1 1 1   14   19    7 f  121.966   8.7155  151.030   21.260      ?      ? 
1 1 1   14   19    8 o  195.440   4.0393  383.382   15.463 -2.285599 8.078670 
1 1 1   14   19    9 o  136.749   5.2152  190.623   13.845 5.043976 10.43046 
1 1 1   14   19   10 o  128.277   5.6454  166.367   14.106 -0.7924271 11.29089 
1 1 1   14   19   11 o   90.657   8.4844   86.543   14.649 3.672256 16.96872 
1 1 1   14   19   13 o  203.513   4.7726  438.696   18.388 56.54614 9.545205 
1 1 1   14   19   14 o  181.010   5.0904  347.305   17.310 34.61980 10.18076 
1 1 1   14   19   16 o   29.060   9.8141 -30.5110   14.353 -15.68218 19.62820 
1 1 1   14   19   17 o   72.085   11.234   58.998   15.947 20.12923 22.46767 
1 1 1   14   19   18 o   75.336   10.387   67.264   16.378 60.82338 20.77429 
1 1 1   14   19   19 o   57.242   12.950   36.853   16.642 -3.714817 25.90094 
1 1 1   14   19   20 o  137.234   6.3216  192.469   17.247 0.2846375 12.64326 
1 1 1   14   19   21 o   49.662   12.559   21.796   16.572 -17.78124 25.11825 
1 1 1   14   19   22 o  149.520   6.0668  230.438   18.025 13.67383 12.13351 
1 1 1   14   19   23 o   36.838   11.583  -4.8334   17.145 1.245674 23.16588 
1 1 1   14   19   24 o  108.186   7.8895  121.529   16.921 -0.6142960 15.77900 
1 1 1   14   19   25 f  103.868   8.2022  113.205   16.598 8.385010 16.40445 
1 1 1   14   19   26 o   41.314   11.752   15.513   15.559 8.636326 23.50309 
1 1 1   14   20    0 o  128.939   5.0330  167.393   12.851 -2.643333 10.06609 
1 1 1   14   20    1 o  167.516   4.1629  280.798   13.830 -7.448181 8.325857 
1 1 1   14   20    2 o   93.964   6.7813   91.921   12.366 11.50793 13.56251 
1 1 1   14   20    3 o   89.607   7.0625   81.697   12.516 -0.7259521 14.12502 
1 1 1   14   20    4 o  168.340   4.2716  281.173   14.215 -15.59271 8.543299 
1 1 1   14   20    5 f  105.810   6.2068  113.037   13.001 -4.199066 12.41356 
1 1 1   14   20    6 o  126.471   5.3780  163.342   13.370 7.120750 10.75608 
1 1 1   14   20    7 o  100.256   6.9591  107.415   13.188 19.93777 13.91829 
1 1 1   14   20    8 o  147.448   4.9695  223.810   14.271 13.87148 9.938989 
1 1 1   14   20    9 o   31.741   10.161  -7.9107   14.037 2.560465 20.32298 
1 1 1   14   20   10 f   87.956   8.8970   83.600   14.733 16.56936 17.79394 
1 1 1   14   20   11 o  245.309   4.0279  606.931   19.643 26.78531 8.055764 
1 1 1   14   20   12 o  226.742   4.1481  522.706   18.568 34.28033 8.296236 
1 1 1   14   20   13 o   86.610   9.2170   74.234   14.327 -57.67854 18.43398 
1 1 1   14   20   14 o   33.335   10.576  -5.9897   14.194 -1.715492 21.15198 
1 1 1   14   20   15 o  140.538   5.6884  192.652   15.342 -20.45755 11.37680 
1 1 1   14   20   16 o   88.117   10.250   96.140   15.651 52.05354 20.50079 
1 1 1   14   20   17 o   52.394   11.905   23.802   15.628 -28.01833 23.80941 
1 1 1   14   20   18 o  122.807   6.9786  152.254   16.355 -51.69250 13.95729 
1 1 1   14   20   19 o  149.194   5.7833  225.200   17.013 -34.97433 11.56656 
1 1 1   14   20   20 o  128.394   6.7133  169.024   17.177 15.22281 13.42667 
1 1 1   14   20   21 o   77.367   11.078   69.233   16.876 -39.43827 22.15516 
1 1 1   14   20   22 o   93.398   9.0049   91.906   16.782 4.449677 18.00975 
1 1 1   14   20   23 o   47.584   12.471   17.737   16.479 -17.71853 24.94243 
1 1 1   14   20   24 o  103.706   8.0364  111.732   16.436 4.402901 16.07282 
1 1 1   14   20   25 o   76.468   10.632   70.190   15.594 25.57962 21.26372 
1 1 1   14   21    0 o   62.079   9.3889   38.937   11.552 -24.70885 18.77785 
1 1 1   14   21    1 o  123.877   4.9759  153.974   12.243 -6.721809 9.951742 
1 1 1   14   21    2 o   75.123   8.0053   58.188   11.918 2.844765 16.01053 
1 1 1   14   21    3 o   54.251   10.675   31.506   11.919 -4.969131 21.34976 
1 1 1   14   21    4 o   90.575   7.0194   82.587   12.595 -12.53016 14.03880 
1 1 1   14   21    5 f  160.907   4.4297  260.660   14.148 -8.620148 8.859427 
1 1 1   14   21    6 o  115.762   6.1995  140.678   14.082 10.46040 12.39893 
1 1 1   14   21    7 o  145.799   4.7544  223.837   11.861 12.87965 9.508808 
1 1 1   14   21    8 o  172.435   4.6030  293.893   15.603 -14.43051 9.206034 
1 1 1   14   21    9 o  217.848   4.0663  453.158   17.229 -45.40901 8.132614 
1 1 1   14   21   10 o  184.113   4.6444  354.191   16.254 64.93544 9.288871 
1 1 1   14   21   11 o  113.552   6.2430  130.626   13.902 -4.688087 12.48592 
1 1 1   14   21   12 o   97.005   7.1225   96.537   13.485 -0.5252380 14.24494 
1 1 1   14   21   13 o   28.134   9.4293 -29.8891   13.716 -15.34074 18.85852 
1 1 1   14   21   14 o  101.601   7.2570  106.171   14.149 1.395500 14.51396 
1 1 1   14   21   15 o  139.425   5.6742  199.685   15.287 8.946655 11.34844 
1 1 1   14   21   16 o   55.190   12.327   33.897   15.192 2.166523 24.65418 
1 1 1   14   21   17 o  143.004   6.0145  213.261   16.515 13.68439 12.02906 
1 1 1   14   21   18 f   41.332   11.788   1.9282   15.949 -21.63142 23.57645 
1 1 1   14   21   19 o   39.349   11.563  -1.4828   16.874 17.16145 23.12683 
1 1 1   14   21   20 o   60.366   12.462   40.428   17.199 -25.41982 24.92408 
1 1 1   14   21   21 o   42.462   12.270   9.6528   16.743 5.988995 24.53931 
1 1 1   14   21   22 o   73.094   11.527   58.404   16.291 -12.28040 23.05397 
1 1 1   14   21   23 o   96.461   8.3607   93.563   15.794 -13.42560 16.72142 
1 1 1   14   21   24 o  131.736   5.5918  180.318   14.578 1.111847 11.18362 
1 1 1   14   22    0 o  276.806   3.7621  772.063   20.728 9.377960 7.524158 
1 1 1   14   22    1 o  154.870   4.6136  245.577   13.885 12.70120 9.227113 
1 1 1   14   22    2 o  201.570   3.9798  407.847   15.840 -0.7891693 7.959592 
1 1 1   14   22    3 o  216.355   3.9467  470.514   16.930 2.648270 7.893377 
1 1 1   14   22    4 f  312.551   3.9882  782.154   21.883 -138.8159 7.976465 
1 1 1   14   22    5 f  226.249   3.8670  511.242   17.365 -6.931107 7.734057 
1 1 1   14   22    6 o  193.648   4.3642  380.962   16.495 51.97473 8.728442 
1 1 1   14   22    7 o  135.534   8.5183  185.969   23.091      ?      ? 
1 1 1   14   22    8 o   97.356   6.5744   92.942   11.251 -7.568001 13.14877 
1 1 1   14   22    9 o   71.333   9.8086   56.758   13.120 13.57401 19.61726 
1 1 1   14   22   10 o   45.818   9.9786   5.5648   13.089 -42.19882 19.95724 
1 1 1   14   22   11 o   70.900   10.031   55.131   13.576 7.454002 20.06108 
1 1 1   14   22   12 f  102.686   7.1015  108.636   14.086 2.622086 14.20301 
1 1 1   14   22   13 o  152.989   5.2549  247.727   15.204 28.56830 10.50976 
1 1 1   14   22   14 o   89.695   8.4255   84.464   14.510 4.414131 16.85093 
1 1 1   14   22   15 o  107.865   7.3451  123.463   15.318 14.57259 14.69030 
1 1 1   14   22   16 o   37.596   11.106  -1.7604   14.717 -17.23523 22.21244 
1 1 1   14   22   17 o  117.473   6.5800  141.477   15.257 -0.6604919 13.15995 
1 1 1   14   22   18 o   59.990   11.940   41.082   15.020 8.480267 23.87902 
1 1 1   14   22   19 o  179.441   4.7663  329.298   16.980 13.59569 9.532591 
1 1 1   14   22   20 f   90.414   9.1262   86.335   16.307 3.526772 18.25238 
1 1 1   14   22   21 o   70.608   11.527   53.600   16.165 -26.97823 23.05449 
1 1 1   14   22   22 o  121.817   6.8665  153.241   16.019 4.132286 13.73304 
1 1 1   14   22   23 o   77.321   9.6367   72.588   13.977 16.59662 19.27346 
1 1 1   14   23    0 o  230.688   3.9508  533.221   17.931 -6.528778 7.901694 
1 1 1   14   23    1 o  130.884   5.6002  176.695   14.098 8.922127 11.20048 
1 1 1   14   23    2 f  149.437   4.9232  223.361   14.377 -7.920807 9.846329 
1 1 1   14   23    3 o  262.913   3.8537  699.052   20.186 11.27695 7.707446 
1 1 1   14   23    4 o  212.239   4.0562  454.872   17.134 0.7384186 8.112322 
1 1 1   14   23    5 o  241.335   3.8635  588.674   18.569 6.859756 7.727003 
1 1 1   14   23    6 o  193.614   4.1215  377.514   15.809 -3.150116 8.243097 
1 1 1   14   23    7 o  139.174   4.5744  196.449   11.000 1.365341 9.148895 
1 1 1   14   23    8 o   25.932   8.8102 -27.3578   13.619 2.845722 17.62034 
1 1 1   14   23    9 o  107.002   6.2141  124.209   11.125 14.17001 12.42817 
1 1 1   14   23   10 o  145.126   5.3778  222.391   14.938 35.35915 10.75556 
1 1 1   14   23   11 o  190.031   4.3444  361.791   16.311 -6.419739 8.688869 
1 1 1   14   23   12 o   33.677   10.639  -5.6769   14.388 -3.654902 21.27800 
1 1 1   14   23   13 o  115.756   6.5666  138.523   14.787 3.401123 13.13315 
1 1 1   14   23   14 o   64.422   11.429   44.327   14.722 -18.47086 22.85816 
1 1 1   14   23   15 o  157.468   5.0573  251.804   15.804 -0.3957214 10.11454 
1 1 1   14   23   16 f   93.924   8.1928   93.028   14.986 7.212448 16.38568 
1 1 1   14   23   17 o  216.992   4.2340  475.470   18.095 -2.771790 8.467944 
1 1 1   14   23   18 f   96.199   7.8673   96.301   14.817 1.007858 15.73467 
1 1 1   14   23   19 o   50.793   12.129   25.134   14.876 -16.48127 24.25800 
1 1 1   14   23   20 o   91.378   9.2349   94.499   15.102 28.12608 18.46984 
1 1 1   14   23   21 o   99.906   7.4228  100.478   14.183 -7.382935 14.84555 
1 1 1   14   24    0 o  255.107   3.6280  656.049   18.415 0.5813599E-02 7.256089 
1 1 1   14   24    1 o  163.646   4.2496  274.758   13.623 14.58607 8.499125 
1 1 1   14   24    2 o  120.378   6.7194  146.932   16.177      ?      ? 
1 1 1   14   24    3 o  137.004   4.9921  200.025   12.980 32.42701 9.984263 
1 1 1   14   24    4 o  157.383   4.4535  252.779   13.701 7.489929 8.906937 
1 1 1   14   24    5 f  251.040   3.7647  638.675   18.739 13.18639 7.529341 
1 1 1   14   24    6 o  155.078   4.6569  247.279   13.919 11.82072 9.313872 
1 1 1   14   24    7 o  112.672   5.5384  128.822   10.688 1.207642 11.07681 
1 1 1   14   24    8 o  156.894   4.7574  234.577   14.507 -43.62895 9.514706 
1 1 1   14   24    9 o   79.074   7.9750   53.646   11.184 -38.49993 15.94993 
1 1 1   14   24   10 f  123.651   9.0079  157.469   22.277      ?      ? 
1 1 1   14   24   11 o   58.335   11.733   37.994   14.346 3.453495 23.46656 
1 1 1   14   24   12 o   43.222   11.230   14.641   14.005 15.80050 22.45906 
1 1 1   14   24   13 o  104.365   6.8954  111.061   14.321 -11.55692 13.79078 
1 1 1   14   24   14 o   32.972   10.460  -8.1658   14.367 -7.082270 20.92016 
1 1 1   14   24   15 o   30.587   9.9891 -14.2313   14.506 3.052853 19.97816 
1 1 1   14   24   16 o   35.179   10.897  -2.4007   14.378 -7.788761 21.79474 
1 1 1   14   24   17 o   77.251   9.8131   61.194   14.561 -21.07313 19.62610 
1 1 1   14   24   18 o  137.467   5.6736  194.788   15.308 9.865723 11.34719 
1 1 1   14   24   19 o   95.242   7.8553   91.393   14.712 -11.55325 15.71068 
1 1 1   14   24   20 o   46.760   10.810   23.775   13.306 19.61801 21.61974 
1 1 1   14   25    0 o  158.449   4.1770  245.836   12.911 -18.75444 8.354092 
1 1 1   14   25    1 o  231.982   4.7203  540.545   21.900      ?      ? 
1 1 1   14   25    2 o  193.298   3.7976  380.960   14.419 17.19476 7.595187 
1 1 1   14   25    3 o  146.621   4.4853  212.344   12.799 -12.39600 8.970613 
1 1 1   14   25    4 o  129.458   5.2168  172.745   12.814 8.120979 10.43364 
1 1 1   14   25    5 o   54.934   10.876   29.633   12.425 -23.11787 21.75174 
1 1 1   14   25    6 o   89.338   7.4105   81.299   12.806 -6.308250 14.82098 
1 1 1   14   25    7 o  106.488   6.3095  111.794   13.022 -16.48908 12.61907 
1 1 1   14   25    8 o  175.863   4.3379  310.095   14.884 -5.809250 8.675856 
1 1 1   14   25    9 o  187.429   6.5243  355.456   24.457      ?      ? 
1 1 1   14   25   10 o  102.919   6.4328  114.738   11.340 13.41040 12.86565 
1 1 1   14   25   11 o   46.326   10.961   21.668   11.042 -3.211212 21.92251 
1 1 1   14   25   12 o  101.650   6.8894  105.509   13.853 -4.944946 13.77889 
1 1 1   14   25   13 o   51.559   11.289   29.414   13.894 18.69262 22.57771 
1 1 1   14   25   14 o   58.693   10.857   41.380   13.904 25.82709 21.71310 
1 1 1   14   25   15 o   53.498   11.639   32.169   13.838 9.444538 23.27707 
1 1 1   14   25   16 f   65.995   10.387   53.796   13.867 33.99809 20.77407 
1 1 1   14   25   17 o  122.765   5.8854  153.215   14.062 -0.9207916E-01 11.77080 
1 1 1   14   25   18 o   96.628   7.2723   95.723   13.196 -0.4333725 14.54451 
1 1 1   14   25   19 f  151.722   5.2007  251.970   13.834 13.60316 10.40146 
1 1 1   14   26    0 o  110.572   7.2604  124.060   16.056      ?      ? 
1 1 1   14   26    1 o  146.936   5.7429  217.883   16.877      ?      ? 
1 1 1   14   26    2 o  178.941   4.0669  323.409   14.399 1.428360 8.133756 
1 1 1   14   26    3 o  111.376   5.8147  126.392   12.525 0.7524719 11.62934 
1 1 1   14   26    4 f  130.904   5.1413  174.055   12.882 1.069855 10.28260 
1 1 1   14   26    5 o  145.264   4.7524  213.164   13.218 -0.9379883 9.504737 
1 1 1   14   26    6 o  140.618   4.8570  195.122   13.137 -13.13701 9.713907 
1 1 1   14   26    7 o  166.920   4.4045  278.929   14.250 -6.769730 8.809028 
1 1 1   14   26    8 o  142.174   5.0417  205.822   13.931 2.230331 10.08345 
1 1 1   14   26    9 o  218.758   3.4828  480.210   13.466 -1.107620 6.965697 
1 1 1   14   26   10 o  185.799   3.8525  354.802   12.596 7.992081 7.704936 
1 1 1   14   26   11 o  132.434   4.9740  178.182   11.487 0.6865540 9.947947 
1 1 1   14   26   12 o   60.810   10.203   39.583   11.119 -2.097919 20.40589 
1 1 1   14   26   13 o   73.067   9.7630   56.722   13.393 -6.738197 19.52605 
1 1 1   14   26   14 o   77.555   9.0991   63.104   13.339 -2.962753 18.19811 
1 1 1   14   26   15 o  109.738   6.4489  123.894   13.541 3.577721 12.89775 
1 1 1   14   26   16 o   85.986   7.9858   74.342   13.031 -6.845993 15.97153 
1 1 1   14   26   17 o   35.108   10.507   5.5605   11.995 -2.030075 21.01409 
1 1 1   14   27    0 o   87.483   9.3049   78.540   16.280      ?      ? 
1 1 1   14   27    1 o  110.218   5.8163  126.103   12.532 11.74155 11.63252 
1 1 1   14   27    2 o  191.078   3.8982  369.858   14.697 4.940292 7.796498 
1 1 1   14   27    3 o  136.925   5.0280  191.331   13.407 3.654984 10.05593 
1 1 1   14   27    4 o  113.944   6.0059  133.719   13.236 4.212715 12.01184 
1 1 1   14   27    5 o  100.849   6.5881  106.194   12.631 6.561142 13.17622 
1 1 1   14   27    6 o   59.906   9.4068   37.918   9.4972 0.8885994 18.81363 
1 1 1   14   27    7 o   96.422   5.9330   90.920   9.6144 -6.966217 11.86597 
1 1 1   14   27    8 o   73.475   8.0301   55.549   9.7018 -1.322449 16.06013 
1 1 1   14   27    9 o  180.874   3.6982  330.839   11.529 1.677094 7.396410 
1 1 1   14   27   10 o  164.179   3.9491  261.548   11.055 -11.39403 7.898152 
1 1 1   14   27   11 o  131.231   8.4273  176.222   22.118      ?      ? 
1 1 1   14   27   12 o  152.013   4.3664  228.103   11.153 -5.729462 8.732866 
1 1 1   14   27   13 o  103.884   6.3976  117.860   10.566 13.85375 12.79522 
1 1 1   14   27   14 o   72.787   9.6019   60.653   12.198 15.49323 19.20374 
1 1 1   14   27   15 o   49.373   10.645   28.237   10.936 4.268154 21.28959 
1 1 1   14   28    0 o  107.610   8.4516  118.641   18.189      ?      ? 
1 1 1   14   28    1 o  136.668   6.4898  189.479   17.739      ?      ? 
1 1 1   14   28    2 o  225.906   4.8456  514.387   21.893      ?      ? 
1 1 1   14   28    3 o  165.680   5.6740  277.408   18.801      ?      ? 
1 1 1   14   28    4 o  136.815   4.4435  194.202   10.208 7.304138 8.886967 
1 1 1   14   28    5 o  155.424   3.9926  243.851   10.725 0.6537018 7.985198 
1 1 1   14   28    6 o  144.910   4.2026  213.769   10.347 2.764709 8.405290 
1 1 1   14   28    7 o  105.744   5.5331  114.693   9.7817 2.278305 11.06610 
1 1 1   14   28    8 o  145.242   4.0246  212.033   11.691      ?      ? 
1 1 1   14   28    9 o  146.092   4.3248  225.109   10.309 12.29425 8.649684 
1 1 1   14   28   10 o  125.588   5.0439  168.498   9.9040 12.33341 10.08790 
1 1 1   14   28   11 o  195.867   3.7331  380.120   11.522 -4.390167 7.466187 
1 1 1   14   28   12 o   51.769   10.122   29.239   8.8631 4.825836 20.24388 
1 1 1   14   28   13 o   32.715   15.033   2.0264   22.639      ?      ? 
1 1 1   14   29    0 o  152.398   6.0283  234.739   18.374      ?      ? 
1 1 1   14   29    1 o  218.278   5.0478  480.015   22.037      ?      ? 
1 1 1   14   29    2 o  124.988   7.0867  158.473   17.715      ?      ? 
1 1 1   14   29    3 o  123.332   4.9664  150.543   10.119 -4.268341 9.932802 
1 1 1   14   29    4 f  114.955   5.1052  129.960   9.7084 -5.276421 10.21034 
1 1 1   14   29    5 o  148.740   3.7447  222.028   11.140      ?      ? 
1 1 1   14   29    6 o  194.979   3.4416  376.799   10.997 -4.384598 6.883111 
1 1 1   14   29    7 o  221.679   3.2837  483.106   11.978 -8.076721 6.567351 
1 1 1   14   29    8 o  120.656   9.0183  149.085   21.762      ?      ? 
1 1 1   14   29    9 o   56.810   9.8024   28.592   8.0865 -15.11468 19.60489 
1 1 1   14   29   10 o   85.136   8.2451  160.985   9.6631 99.91082 16.49020 
1 1 1   14   30    0 o   89.694   8.0959   82.296   14.523      ?      ? 
1 1 1   14   30    1 o   83.556   9.1965   71.902   15.368      ?      ? 
1 1 1   14   30    2 o  135.821   6.0642  187.013   16.473      ?      ? 
1 1 1   14   30    3 o  227.160   3.3846  498.672   12.436 -15.36697 6.769130 
1 1 1   15    0    3 o  217.150   6.1767  473.241   26.778 -0.000000 0.000000 
1 1 1   15    0    4 o  275.132   5.7717  758.771   31.728 -0.000000 0.000000 
1 1 1   15    0    5 o  251.699   5.7865  635.234   29.095 -0.000000 0.000000 
1 1 1   15    0    6 o  114.656   9.9724  134.885   22.538 -0.000000 0.000000 
1 1 1   15    0    7 f  197.297   6.5714  391.246   25.867 -0.000000 0.000000 
1 1 1   15    0    8 o  171.538   7.1326  296.481   24.379 -0.000000 0.000000 
1 1 1   15    0    9 o  280.536   5.8046  789.352   32.537 -0.000000 0.000000 
1 1 1   15    0   10 f  370.131   6.2173  1373.67   45.995 -0.000000 0.000000 
1 1 1   15    0   11 f  126.606   9.4195  163.625   23.589 -0.000000 0.000000 
1 1 1   15    0   12 o   65.647   19.640   53.890   22.421 -0.000000 0.000000 
1 1 1   15    0   13 o   27.791   17.922   1.9474   22.329 -0.000000 0.000000 
1 1 1   15    0   14 o  109.631   10.550  124.417   22.736 -0.000000 0.000000 
1 1 1   15    0   15 f   35.970   20.715   17.632   23.482 -0.000000 0.000000 
1 1 1   15    0   16 o   84.454   17.413   81.063   25.982 -0.000000 0.000000 
1 1 1   15    0   17 o  207.077   7.6315  432.739   31.513 -0.000000 0.000000 
1 1 1   15    0   18 o  343.991   6.6774  1186.18   45.901 -0.000000 0.000000 
1 1 1   15    0   19 o  123.224   12.247  159.149   29.638 -0.000000 0.000000 
1 1 1   15    0   20 o  102.155   12.863  110.844   25.604 -0.000000 0.000000 
1 1 1   15    0   21 o  238.373   6.5915  572.128   31.372 -0.000000 0.000000 
1 1 1   15    0   22 o   19.899   10.022 -23.9471   15.489 -0.000000 0.000000 
1 1 1   15    0   23 f  138.258   6.0067  194.059   16.446 -0.000000 0.000000 
1 1 1   15    0   24 o   61.632   14.597   50.792   15.990 -0.000000 0.000000 
1 1 1   15    0   25 o   29.767   13.414   3.9757   16.997 -0.000000 0.000000 
1 1 1   15    0   26 o   89.481   11.129   90.039   17.563 -0.000000 0.000000 
1 1 1   15    0   27 o   64.140   15.175   55.738   17.222 -0.000000 0.000000 
1 1 1   15    0   28 o   25.947   12.355  -5.4301   17.206 -0.000000 0.000000 
1 1 1   15    0   29 o   43.523   16.192   30.276   18.157 -0.000000 0.000000 
1 1 1   15    0   30 o   83.451   13.265   83.368   19.152 -0.000000 0.000000 
1 1 1   15    0   31 o   76.993   13.722   73.440   18.240 -0.000000 0.000000 
1 1 1   15    1    3 o  264.315   4.0798  700.050   21.566 3.490387 8.159662 
1 1 1   15    1    4 o  246.359   4.1694  607.876   20.534 -4.984909 8.338743 
1 1 1   15    1    5 o  206.957   4.4878  429.077   18.567 -6.755020 8.975521 
1 1 1   15    1    6 o  203.146   4.5461  414.144   18.450 11.75287 9.092235 
1 1 1   15    1    7 o  194.568   4.6301  379.895   18.013 -0.7185822 9.260264 
1 1 1   15    1    8 o  228.258   4.3369  522.638   19.794 -5.537918 8.673809 
1 1 1   15    1    9 f  200.384   4.5096  403.280   18.069 -3.066864 9.019190 
1 1 1   15    1   10 o  189.911   4.7546  362.248   18.057 3.451523 9.509110 
1 1 1   15    1   11 o  219.139   4.3556  481.963   19.088 3.368301 8.711255 
1 1 1   15    1   12 o   53.986   12.574   29.039   15.764 4.270859 25.14820 
1 1 1   15    1   13 o   49.875   12.534   22.731   15.754 0.2482796 25.06804 
1 1 1   15    1   14 o  100.576   7.9534  103.289   15.941 -8.761841 15.90670 
1 1 1   15    1   15 o   70.125   11.275   53.582   16.469 -34.19056 22.55064 
1 1 1   15    1   16 f  126.930   7.0459  162.730   17.826 9.671364 14.09180 
1 1 1   15    1   17 o  128.150   9.6677  194.702   19.593 -91.42086 19.33533 
1 1 1   15    1   18 o  264.323   4.7604  698.339   25.010 -40.94286 9.520769 
1 1 1   15    1   19 o   98.104   10.860  107.166   19.761 -38.17287 21.71905 
1 1 1   15    1   20 o   53.455   12.981   27.189   17.473 -15.47165 25.96141 
1 1 1   15    1   21 o   83.010   10.898   74.357   17.400 -0.3402786 21.79616 
1 1 1   15    1   22 o  114.602   6.6136  139.433   13.278 11.74435 13.22717 
1 1 1   15    1   23 o   74.325   7.4257   56.245   10.979 9.471237 14.85135 
1 1 1   15    1   24 o   49.422   9.6079   25.034   11.176 28.64190 19.21579 
1 1 1   15    1   25 o   30.469   9.5488  -6.4286   11.899 -7.527649 19.09762 
1 1 1   15    1   26 o   47.710   10.834   23.302   12.043 12.19399 21.66896 
1 1 1   15    1   27 o   37.424   10.534   8.7379   11.881 -2.823658 21.06894 
1 1 1   15    1   28 o   73.222   8.7598   57.128   12.447 11.06929 17.51958 
1 1 1   15    1   29 o   36.319   10.573   5.1947   12.641 7.917179 21.14536 
1 1 1   15    1   30 o   30.936   9.7533  -9.9029   13.058 10.40482 19.50652 
1 1 1   15    1   31 o   88.755   7.4423   80.728   13.120 -14.57817 14.88457 
1 1 1   15    2    3 o  212.907   4.4445  453.945   18.915 -7.112427 8.889071 
1 1 1   15    2    4 o  373.270   4.3857  1395.88   32.730 9.952423 8.771351 
1 1 1   15    2    5 o  293.878   4.0803  865.670   23.981 4.045990 8.160597 
1 1 1   15    2    6 o  262.990   4.1991  693.145   22.081 -6.198761 8.398272 
1 1 1   15    2    7 o  175.131   5.1314  308.341   17.960 4.842148 10.26285 
1 1 1   15    2    8 o  367.454   4.3627  1354.70   32.047 -4.898254 8.725357 
1 1 1   15    2    9 f  280.414   4.1545  789.044   23.299 1.845764 8.308907 
1 1 1   15    2   10 o  306.460   4.1713  942.292   25.566 0.9149170E-01 8.342652 
1 1 1   15    2   11 o  150.208   5.6281  227.066   16.903 -0.8549500E-01 11.25614 
1 1 1   15    2   12 o  139.338   5.9822  195.920   16.648 8.232819 11.96440 
1 1 1   15    2   13 o  127.790   6.5514  165.737   16.644 15.83721 13.10280 
1 1 1   15    2   14 o   84.563   9.3545   73.395   15.801 -2.383461 18.70896 
1 1 1   15    2   15 o   40.527   11.905   3.7919   16.097 8.633163 23.80998 
1 1 1   15    2   16 o   27.766   9.5488 -45.2751   16.719 10.21434 19.09760 
1 1 1   15    2   17 o  132.410   7.2278  181.725   18.723 -22.57048 14.45559 
1 1 1   15    2   18 o  199.723   5.2920  395.836   21.014 20.93489 10.58402 
1 1 1   15    2   19 o   41.572   12.498   1.9729   18.496 9.982918 24.99614 
1 1 1   15    2   20 o  150.538   6.0576  228.406   18.176 13.15186 12.11523 
1 1 1   15    2   21 o   53.933   12.472   28.347   16.772 21.62339 24.94313 
1 1 1   15    2   22 o  184.688   7.4431  344.262   27.493      ?      ? 
1 1 1   15    2   23 o   51.320   10.288   27.756   11.277 -12.16301 20.57641 
1 1 1   15    2   24 o   22.715   7.8132 -26.7502   11.274 -1.933220 15.62632 
1 1 1   15    2   25 o   40.504   10.756   13.056   12.080 -7.431923 21.51255 
1 1 1   15    2   26 o   24.352   8.2638 -25.2302   11.938 -5.420414 16.52753 
1 1 1   15    2   27 o   27.107   8.9043 -15.2924   11.826 6.414345 17.80862 
1 1 1   15    2   28 o   34.161   10.230   0.5057   12.420 9.079506 20.46084 
1 1 1   15    2   29 o  101.221   6.4230  105.311   12.952 12.21526 12.84595 
1 1 1   15    2   30 o   47.937   11.421   23.776   13.167 8.508636 22.84118 
1 1 1   15    2   31 o   95.632   9.2550   93.553   17.702      ?      ? 
1 1 1   15    3    2 o  337.588   5.9424  1142.20   40.122      ?      ? 
1 1 1   15    3    3 o  219.944   4.2731  485.198   18.784 8.031296 8.546266 
1 1 1   15    3    4 o  342.289   4.2008  1174.07   28.753 5.570313 8.401632 
1 1 1   15    3    5 o  246.347   4.1553  607.859   20.463 9.920715 8.310551 
1 1 1   15    3    6 o  308.879   4.1176  956.632   25.436 -1.857819 8.235248 
1 1 1   15    3    7 o  237.449   4.2848  565.733   20.346 0.1253357 8.569684 
1 1 1   15    3    8 o  215.049   4.4496  464.277   19.136 -0.9939880 8.899111 
1 1 1   15    3    9 o  154.163   5.4167  239.403   16.674 6.147476 10.83334 
1 1 1   15    3   10 o   85.118   10.004   76.243   16.303 20.72192 20.00821 
1 1 1   15    3   11 o  272.086   4.1303  743.007   22.473 1.636627 8.260613 
1 1 1   15    3   12 o  151.098   5.6539  230.165   17.072 4.271622 11.30789 
1 1 1   15    3   13 o  372.803   4.3906  1394.68   32.706 -12.28156 8.781237 
1 1 1   15    3   14 o  169.323   5.0964  288.850   17.253 6.094238 10.19275 
1 1 1   15    3   15 o   31.472   10.346 -19.8673   15.840 4.551336 20.69274 
1 1 1   15    3   16 o   36.062   11.112 -11.6452   16.372 16.02153 22.22343 
1 1 1   15    3   17 o  159.283   6.5442  265.600   19.098 -81.19225 13.08850 
1 1 1   15    3   18 o  165.119   6.1768  268.715   20.192 29.11981 12.35366 
1 1 1   15    3   19 o   31.050   10.485 -31.9952   18.247 4.919262 20.97091 
1 1 1   15    3   20 o   67.749   12.205   49.842   16.867 19.04667 24.41059 
1 1 1   15    3   21 o   30.049   10.266 -41.5959   18.289 10.14219 20.53167 
1 1 1   15    3   22 o   87.077   8.8865   80.761   13.612 8.798477 17.77301 
1 1 1   15    3   23 o   28.375   9.1425 -10.6854   11.622 -5.333063 18.28493 
1 1 1   15    3   24 o  152.682   4.0623  235.365   12.404 0.9887390 8.124691 
1 1 1   15    3   25 o   71.181   8.8360   53.625   12.198 -12.45107 17.67197 
1 1 1   15    3   26 o   26.682   8.8153 -15.1253   11.798 -3.397110 17.63063 
1 1 1   15    3   27 o   35.614   10.300   5.5018   11.845 -5.578773 20.60063 
1 1 1   15    3   28 o   93.738   6.6862   90.197   12.518 6.885986 13.37244 
1 1 1   15    3   29 o  105.999   6.0945  115.273   12.892 8.904808 12.18893 
1 1 1   15    3   30 o   54.922   11.228   33.437   13.174 -9.307713 22.45530 
1 1 1   15    3   31 o   72.512   9.1937   55.823   13.054 -5.006432 18.38746 
1 1 1   15    4    2 o  350.254   5.9996  1229.72   42.028      ?      ? 
1 1 1   15    4    3 o  309.395   4.0881  959.498   25.295 1.443390 8.176174 
1 1 1   15    4    4 o  152.836   5.5018  236.781   16.624 25.19923 11.00357 
1 1 1   15    4    5 o   87.838   8.9171   78.113   15.638 -7.047668 17.83418 
1 1 1   15    4    6 f   60.570   12.127   38.654   15.333 -0.2946396 24.25356 
1 1 1   15    4    7 o  100.276   8.0423  101.976   16.105 4.447083 16.08454 
1 1 1   15    4    8 o  243.298   4.1983  593.738   20.423 -7.971085 8.396630 
1 1 1   15    4    9 o  336.821   4.1854  1138.01   28.182 -2.781403 8.370719 
1 1 1   15    4   10 o  250.116   4.1877  627.640   20.941 -1.353256 8.375304 
1 1 1   15    4   11 o  248.230   4.2140  619.096   20.896 13.79811 8.428059 
1 1 1   15    4   12 o   76.829   10.521   61.139   15.815 -15.02335 21.04101 
1 1 1   15    4   13 o   41.429   11.812   6.9805   15.436 -10.05884 23.62309 
1 1 1   15    4   14 o  103.607   7.6104  108.929   15.750 -6.942520 15.22076 
1 1 1   15    4   15 o  211.130   4.4317  448.574   18.705 6.209366 8.863323 
1 1 1   15    4   17 o  269.456   4.3107  711.434   22.937 56.76863 8.621471 
1 1 1   15    4   18 o   54.924   11.976   19.789   18.338 40.27405 23.95192 
1 1 1   15    4   19 o  117.710   7.5671  142.034   17.811 3.243294 15.13422 
1 1 1   15    4   20 o   99.815   8.4377  102.522   16.802 9.727783 16.87532 
1 1 1   15    4   21 o   51.204   13.115   26.229   17.423 8.944374 26.22907 
1 1 1   15    4   22 o  149.464   4.9677  229.064   13.900 9.400391 9.935357 
1 1 1   15    4   23 o   27.382   9.2831 -23.2169   13.133 -8.631666 18.56612 
1 1 1   15    4   24 f  147.283   4.2423  220.130   12.448 10.17720 8.484569 
1 1 1   15    4   25 o  201.207   3.4555  406.316   13.896 -9.859024 6.911072 
1 1 1   15    4   26 o  125.019   4.9785  159.152   12.448 0.4538498 9.956906 
1 1 1   15    4   27 o   51.312   10.874   28.730   12.028 0.1068611 21.74875 
1 1 1   15    4   28 o   33.253   10.124  -0.1402   12.343 -4.172064 20.24747 
1 1 1   15    4   29 o   73.279   9.0768   57.587   12.942 8.926147 18.15364 
1 1 1   15    4   30 o   44.564   11.466   18.406   13.360 -5.344631 22.93174 
1 1 1   15    4   31 o   48.029   10.111   20.988   12.809 31.61702 20.22267 
1 1 1   15    5    2 o  237.867   5.7551  567.174   27.379      ?      ? 
1 1 1   15    5    3 o  305.709   4.0450  936.817   24.730 4.073669 8.089994 
1 1 1   15    5    4 o  176.686   4.7051  312.732   16.599 -5.345016 9.410295 
1 1 1   15    5    5 o  239.705   4.1265  575.985   19.753 -2.481216 8.253037 
1 1 1   15    5    6 f  145.736   5.5893  215.748   16.114 12.78688 11.17861 
1 1 1   15    5    7 o  237.492   4.2124  565.978   19.935 27.15630 8.424734 
1 1 1   15    5    8 o  110.935   7.1718  124.924   15.798 5.708427 14.34351 
1 1 1   15    5    9 o  146.339   5.7130  215.761   16.671 2.697540 11.42595 
1 1 1   15    5   10 o  100.961   8.1380  103.606   16.378 4.251694 16.27599 
1 1 1   15    5   11 o  105.192   7.6863  114.093   15.882 16.85686 15.37264 
1 1 1   15    5   12 o   42.861   12.092   10.505   15.547 -1.487095 24.18458 
1 1 1   15    5   13 o   73.138   11.144   57.349   15.799 -0.8917999 22.28753 
1 1 1   15    5   14 o  107.848   7.4263  117.993   15.959 -1.890831 14.85261 
1 1 1   15    5   15 o   47.374   12.503   18.789   15.888 -0.4327583 25.00688 
1 1 1   15    5   16 o   53.528   12.363   27.447   16.795 22.62167 24.72563 
1 1 1   15    5   17 o  241.272   4.4821  563.408   21.122 -72.56601 8.964256 
1 1 1   15    5   18 o   28.040   9.6547 -47.5153   17.566 -8.881445 19.30943 
1 1 1   15    5   19 o   39.817   11.929   2.8754   16.474 -1.952648 23.85829 
1 1 1   15    5   20 o  123.177   6.8862  154.716   16.954 0.6537018 13.77235 
1 1 1   15    5   21 o  165.698   4.5939  280.956   13.865 2.771378 9.187837 
1 1 1   15    5   22 o  239.967   5.8854  577.700   28.246      ?      ? 
1 1 1   15    5   23 o   60.279   10.555   42.829   13.091 21.50354 21.10931 
1 1 1   15    5   24 o   76.535   7.9739   61.153   12.135 7.973160 15.94774 
1 1 1   15    5   25 o   72.467   11.864   53.968   17.194      ?      ? 
1 1 1   15    5   26 o   57.360   10.072   36.623   11.957 -21.70951 20.14447 
1 1 1   15    5   27 o   87.303   6.9693   78.411   12.146 7.542160 13.93858 
1 1 1   15    5   28 o   97.380   6.4800   97.722   12.580 -7.531685 12.96008 
1 1 1   15    5   29 o   56.059   11.049   34.879   12.881 4.777283 22.09823 
1 1 1   15    5   30 o   85.566   7.7785   75.747   13.276 -6.912163 15.55709 
1 1 1   15    5   31 o   65.651   9.9526   47.344   12.644 -5.782295 19.90529 
1 1 1   15    6    2 o  128.744   8.9441  166.860   23.030      ?      ? 
1 1 1   15    6    3 o  156.552   5.2013  244.148   16.208 -20.25868 10.40267 
1 1 1   15    6    4 o  279.927   3.9622  785.539   22.154 -2.274231 7.924376 
1 1 1   15    6    5 o  203.600   4.4083  415.801   17.886 -1.754776 8.816517 
1 1 1   15    6    6 o  213.024   4.1953  454.486   17.834 -6.042755 8.390576 
1 1 1   15    6    7 o   93.419   8.2836   88.124   15.367 -15.48938 16.56710 
1 1 1   15    6    8 o  100.009   7.6543  100.797   15.277 -4.909592 15.30864 
1 1 1   15    6    9 o  168.040   4.9989  283.613   16.778 -1.972214 9.997773 
1 1 1   15    6   10 o   79.686   10.111   66.860   15.568 15.58076 20.22133 
1 1 1   15    6   11 o   95.277   8.1280   92.638   15.405 5.931740 16.25604 
1 1 1   15    6   12 o  106.084   7.4728  113.995   15.828 -8.774559 14.94555 
1 1 1   15    6   13 o   35.505   11.052  -4.5705   15.143 -1.520454 22.10425 
1 1 1   15    6   14 o   78.272   10.340   64.914   15.674 8.244461 20.67929 
1 1 1   15    6   16 o  304.473   4.1269  929.892   25.108 -3.877045 8.253811 
1 1 1   15    6   17 o  180.265   5.2599  313.761   18.014 -80.39812 10.51983 
1 1 1   15    6   18 o   43.816   12.350   13.094   16.323 1.685738 24.70096 
1 1 1   15    6   19 o   98.280   8.3774   99.257   16.449 -6.356216 16.75483 
1 1 1   15    6   20 o   84.460   10.491   75.110   17.213 -17.21996 20.98125 
1 1 1   15    6   21 o   32.074   10.235 -14.4545   12.541 -19.17071 20.47054 
1 1 1   15    6   22 o   79.621   14.981   67.191   22.980      ?      ? 
1 1 1   15    6   23 o  108.985   6.7392  123.415   13.481 4.972290 13.47830 
1 1 1   15    6   24 o   47.611   12.316   18.907   14.284 -13.42676 24.63279 
1 1 1   15    6   25 o  174.788   3.8160  307.516   13.338 -1.481018 7.632045 
1 1 1   15    6   26 o   66.992   9.1426   48.202   11.939 16.08285 18.28520 
1 1 1   15    6   27 o   39.039   10.750   11.438   12.087 -0.5959396 21.49929 
1 1 1   15    6   28 o   41.162   10.975   14.421   12.420 5.603764 21.95023 
1 1 1   15    6   29 o   31.702   9.9823  -5.9798   12.955 -5.369116 19.96452 
1 1 1   15    6   30 o   84.567   7.8032   74.265   12.986 -18.39774 15.60641 
1 1 1   15    6   31 o   90.702   6.8556   86.463   12.420 -6.266098 13.71128 
1 1 1   15    7    1 o  151.757   8.0396  231.712   24.401      ?      ? 
1 1 1   15    7    2 o  164.667   7.5880  272.661   24.990      ?      ? 
1 1 1   15    7    3 o  119.046   6.5012  141.361   15.379 -11.11890 13.00250 
1 1 1   15    7    4 o  175.932   4.6610  311.512   16.245 2.803741 9.322099 
1 1 1   15    7    5 o  247.607   4.0702  611.948   20.054 -11.95781 8.140488 
1 1 1   15    7    6 o  173.062   4.7402  302.027   16.297 6.982025 9.480357 
1 1 1   15    7    7 o  246.664   4.0656  609.300   20.022 -6.730347 8.131284 
1 1 1   15    7    8 o  115.751   6.6808  136.290   15.314 8.828064 13.36166 
1 1 1   15    7    9 o  110.979   6.8574  125.037   15.119 5.780579 13.71470 
1 1 1   15    7   10 o  205.439   4.3119  424.460   17.676 16.51665 8.623889 
1 1 1   15    7   11 o  102.010   7.4339  105.557   15.166 0.3888168 14.86778 
1 1 1   15    7   12 f   81.598   9.3087   69.283   14.808 -9.186302 18.61748 
1 1 1   15    7   13 o   49.484   12.061   23.013   14.738 -9.776554 24.12198 
1 1 1   15    7   14 o   36.597   11.258  -2.3083   15.392 -1.134529 22.51607 
1 1 1   15    7   16 o  261.129   4.0906  682.777   21.344 -4.458557 8.181226 
1 1 1   15    7   17 o   43.947   12.382   10.343   16.477 -7.649632 24.76475 
1 1 1   15    7   18 o   35.714   11.128  -6.3487   15.926 6.785728 22.25649 
1 1 1   15    7   19 o   49.564   12.748   22.113   16.727 9.112873 25.49541 
1 1 1   15    7   20 o  199.142   4.9805  400.378   19.752 -17.35095 9.960939 
1 1 1   15    7   21 o  143.380   8.8473  207.240   25.371      ?      ? 
1 1 1   15    7   22 o  117.183   6.1596  137.097   13.396 -5.322792 12.31924 
1 1 1   15    7   23 o   26.857   9.1767 -25.2510   13.561 -5.272978 18.35342 
1 1 1   15    7   24 o  145.350   5.6035  189.365   15.068 -44.64518 11.20700 
1 1 1   15    7   25 o   80.602   7.5500   67.499   12.132 -5.419395 15.09994 
1 1 1   15    7   26 o   63.644   9.5391   43.767   12.004 -15.24326 19.07811 
1 1 1   15    7   27 o   72.168   8.8639   55.911   12.367 -12.66100 17.72773 
1 1 1   15    7   28 o   36.905   10.463   6.2580   12.451 -11.34689 20.92575 
1 1 1   15    7   29 o   54.316   11.362   32.739   13.238 -4.341232 22.72337 
1 1 1   15    7   30 o  100.334   6.7361  104.792   13.150 27.02322 13.47227 
1 1 1   15    8    1 o  268.820   5.9565  725.236   32.025      ?      ? 
1 1 1   15    8    2 o  293.972   5.9339  867.256   34.888      ?      ? 
1 1 1   15    8    3 o  256.006   4.0197  655.072   20.449 -7.904068 8.039353 
1 1 1   15    8    4 o  136.008   5.7216  189.561   15.189 13.92249 11.44320 
1 1 1   15    8    5 o  168.414   4.8470  283.469   16.055 -4.428711 9.694058 
1 1 1   15    8    6 o  105.478   10.974  112.548   23.151      ?      ? 
1 1 1   15    8    7 o  134.979   5.9832  188.296   15.723 22.66465 11.96649 
1 1 1   15    8    8 o  380.012   6.2905  1450.42   47.809      ?      ? 
1 1 1   15    8    9 f  142.785   5.7199  209.265   16.012 18.98462 11.43989 
1 1 1   15    8   10 o   38.215   11.310  -0.1493   15.074 -12.14891 22.62069 
1 1 1   15    8   11 o   65.366   11.487   45.757   14.935 -5.837486 22.97485 
1 1 1   15    8   12 o   53.267   12.341   28.822   15.154 -0.5808258 24.68256 
1 1 1   15    8   13 o  115.108   6.6119  134.021   15.203 -7.941925 13.22390 
1 1 1   15    8   15 o  223.908   4.7517  443.273   19.328 -134.7170 9.503448 
1 1 1   15    8   16 o  246.130   4.3797  563.125   20.527 -105.4319 8.759480 
1 1 1   15    8   17 o  109.528   7.6098  123.657   16.623 2.194702 15.21963 
1 1 1   15    8   18 o   88.026   9.6757   83.284   16.163 -19.41861 19.35142 
1 1 1   15    8   19 o   98.602   8.4708   99.486   16.418 25.17802 16.94168 
1 1 1   15    8   21 o  182.100   5.3172  325.121   17.962 95.68541 10.63450 
1 1 1   15    8   22 o   26.788   8.9457 -19.6410   12.804 2.429914 17.89148 
1 1 1   15    8   23 o  101.866   8.0752  118.668   14.239 26.62624 16.15042 
1 1 1   15    8   24 o  202.340   4.4040  400.923   16.349 -13.50435 8.808063 
1 1 1   15    8   25 o   69.105   11.065   61.114   14.419 28.86010 22.13098 
1 1 1   15    8   26 o   30.357   9.4619  -8.1473   11.880 11.71352 18.92381 
1 1 1   15    8   27 o  106.809   5.8428  116.810   12.447 -4.318192 11.68563 
1 1 1   15    8   28 o   88.894   7.0450   81.874   12.466 -5.169800 14.09009 
1 1 1   15    8   29 o   57.761   11.152   36.995   13.271 5.313389 22.30317 
1 1 1   15    8   30 o   55.582   10.629   33.406   12.732 21.66681 21.25870 
1 1 1   15    9    1 o  228.956   6.1074  526.075   27.967      ?      ? 
1 1 1   15    9    2 o  141.104   8.3641  200.431   23.604      ?      ? 
1 1 1   15    9    3 o  164.543   4.8540  273.061   15.734 4.165512 9.707966 
1 1 1   15    9    4 o  232.425   6.1127  542.169   28.415      ?      ? 
1 1 1   15    9    5 o  379.835   4.3316  1445.44   32.815 -9.193390 8.663226 
1 1 1   15    9    6 o  252.284   4.0504  638.443   20.345 -1.028152 8.100727 
1 1 1   15    9    7 o  384.985   6.3159  1488.83   48.631      ?      ? 
1 1 1   15    9    8 o  242.769   4.0764  590.588   19.703 -4.542480 8.152798 
1 1 1   15    9    9 o  243.120   4.0802  592.145   19.743 -5.797455 8.160308 
1 1 1   15    9   10 o   86.545   9.2511   80.108   15.048 15.57961 18.50211 
1 1 1   15    9   11 o  159.049   5.1666  257.764   16.185 12.33107 10.33318 
1 1 1   15    9   12 o   85.733   9.1847   77.174   15.082 7.476685 18.36950 
1 1 1   15    9   13 o   23.614   8.3252 -55.4957   15.343 -5.551424 16.65041 
1 1 1   15    9   14 o   37.508   11.567  -3.4656   16.454 2.376202 23.13412 
1 1 1   15    9   15 o  282.521   4.1091  798.125   23.192 -12.12338 8.218128 
1 1 1   15    9   16 f   54.791   12.342   29.541   16.462 -22.16211 24.68429 
1 1 1   15    9   17 o  131.309   6.4591  175.343   16.925 -1.104630 12.91813 
1 1 1   15    9   18 o  141.048   6.0264  202.044   16.986 -1.171768 12.05275 
1 1 1   15    9   19 o  157.403   5.5467  253.130   17.460 -1.966385 11.09342 
1 1 1   15    9   20 o  105.744   7.7473  114.788   15.726 37.92233 15.49469 
1 1 1   15    9   21 o   91.025   8.6030   84.963   15.619 8.881088 17.20592 
1 1 1   15    9   22 o  105.431   6.6511  115.519   13.439 6.207329 13.30222 
1 1 1   15    9   23 o   34.775   10.537  -1.5735   13.919 7.559332 21.07434 
1 1 1   15    9   24 o   35.723   10.960  -9.7878   14.177 -20.58133 21.91942 
1 1 1   15    9   25 o   38.356   11.330   5.9330   14.103 -0.4081726E-01 22.65971 
1 1 1   15    9   26 o   50.983   12.254   22.818   14.384 -20.40057 24.50717 
1 1 1   15    9   27 o   36.900   10.470   8.3120   11.918 -3.892975 20.93962 
1 1 1   15    9   28 f   99.611   6.5759  101.905   13.031 13.52631 13.15190 
1 1 1   15    9   29 o   90.696   7.3535   85.061   13.212 14.21547 14.70700 
1 1 1   15    9   30 f   65.579   11.865   48.004   16.291 -28.68494 23.73043 
1 1 1   15   10    0 o  227.148   5.9465  517.809   27.015      ?      ? 
1 1 1   15   10    1 o  215.718   6.1266  467.116   26.432      ?      ? 
1 1 1   15   10    2 o  205.843   6.2935  425.441   25.910      ?      ? 
1 1 1   15   10    3 o  148.479   5.1709  222.533   15.184 4.084702 10.34173 
1 1 1   15   10    4 o  161.817   4.8324  261.404   15.496 -7.618561 9.664884 
1 1 1   15   10    5 o  111.908   10.161  126.697   22.742      ?      ? 
1 1 1   15   10    6 o  170.190   4.7762  290.272   16.074 -3.393021 9.552459 
1 1 1   15   10    7 o   98.262   7.6443   99.339   14.713 8.571686 15.28860 
1 1 1   15   10    8 o  107.771   6.9390  119.353   14.691 10.84153 13.87801 
1 1 1   15   10    9 o   53.907   11.984   29.521   14.303 -7.728394 23.96781 
1 1 1   15   10   10 o  137.184   5.4852  187.298   14.903 -12.64175 10.97042 
1 1 1   15   10   11 o  114.730   6.5667  131.442   14.949 -13.05045 13.13335 
1 1 1   15   10   14 o  338.956   4.3085  1024.02   27.470 118.8403 8.616986 
1 1 1   15   10   15 o  166.625   9.4641  295.080   19.145 238.1019 18.92825 
1 1 1   15   10   16 o   67.636   11.700   49.783   15.912 -19.49592 23.40016 
1 1 1   15   10   17 o  109.068   7.7294  122.246   16.690 2.786972 15.45873 
1 1 1   15   10   18 o  169.174   5.3112  290.515   17.847 4.067245 10.62231 
1 1 1   15   10   19 o   28.387   9.6225 -44.8876   15.867 -16.54800 19.24509 
1 1 1   15   10   20 o   78.474   10.320   67.914   15.347 33.44195 20.63923 
1 1 1   15   10   21 o   99.143   8.2516  102.657   16.048 -24.53046 16.50314 
1 1 1   15   10   22 o   29.639   9.5688 -13.4920   13.445 6.280962 19.13758 
1 1 1   15   10   23 o  126.044   6.0261  160.519   14.389 -1.020386 12.05219 
1 1 1   15   10   24 o  107.356   7.4445  125.814   14.531 16.44270 14.88899 
1 1 1   15   10   25 o   40.913   11.581   11.007   14.346 2.916973 23.16289 
1 1 1   15   10   26 o   77.860   10.040   63.678   14.847 -5.921806 20.08049 
1 1 1   15   10   27 o  116.238   5.3986  136.763   12.467 7.369965 10.79725 
1 1 1   15   10   28 o   27.941   9.2207 -19.1435   13.043 8.698061 18.44136 
1 1 1   15   10   29 o   75.971   8.4502   59.929   12.824 4.005684 16.90036 
1 1 1   15   11    0 o  246.015   3.9662  603.216   19.430 -17.63417 7.932443 
1 1 1   15   11    1 o  279.752   5.7184  785.543   31.994      ?      ? 
1 1 1   15   11    2 o  306.052   5.7559  940.258   35.232      ?      ? 
1 1 1   15   11    3 o  201.403   6.2719  407.499   25.264      ?      ? 
1 1 1   15   11    4 o  273.585   3.8649  750.513   21.050 -2.341949 7.729900 
1 1 1   15   11    5 o  165.555   4.6285  275.421   15.130 -0.3574219 9.256981 
1 1 1   15   11    6 o  145.834   5.1374  216.476   14.710 9.524460 10.27484 
1 1 1   15   11    7 o  113.662   9.8315  130.977   22.350      ?      ? 
1 1 1   15   11    8 o  193.872   4.2910  376.352   16.446 -4.943970 8.582082 
1 1 1   15   11    9 o   97.825   7.4970   97.903   14.445 4.327873 14.99391 
1 1 1   15   11   10 f  171.476   4.7093  295.736   16.022 -1.222092 9.418641 
1 1 1   15   11   11 o   55.253   11.942   32.942   14.941 13.61868 23.88383 
1 1 1   15   11   13 o  310.321   4.3017  846.411   24.997 132.8173 8.603321 
1 1 1   15   11   14 o  297.383   4.3169  841.007   24.929 94.68704 8.633813 
1 1 1   15   11   15 o  156.430   5.4562  252.981   16.688 17.20085 10.91247 
1 1 1   15   11   16 o  171.073   5.1058  294.657   17.311 -4.043915 10.21167 
1 1 1   15   11   17 o   80.187   10.563   68.460   16.188 -6.092651 21.12502 
1 1 1   15   11   18 o   37.583   11.578   1.3999   16.407 1.372055 23.15553 
1 1 1   15   11   19 o  102.489   7.9269  108.567   15.885 17.00267 15.85378 
1 1 1   15   11   20 o   33.780   10.509 -15.8916   15.338 -17.61816 21.01842 
1 1 1   15   11   21 o  113.178   7.1384  131.939   16.151 4.552406 14.27680 
1 1 1   15   11   22 o   87.275   8.1376   74.943   13.381 -11.23353 16.27529 
1 1 1   15   11   23 o   89.608   8.5770   82.099   13.899 -1.694290 17.15401 
1 1 1   15   11   24 o   60.325   11.791   32.670   14.102 -30.78337 23.58260 
1 1 1   15   11   25 o   84.510   9.6308   74.854   14.604 -1.800407 19.26154 
1 1 1   15   11   26 o   90.499   8.7636   84.837   14.930 -2.784393 17.52724 
1 1 1   15   11   27 o   67.018   11.295   54.069   15.170 24.00919 22.58999 
1 1 1   15   11   28 o  105.324   6.3130  113.282   13.276 8.330284 12.62592 
1 1 1   15   11   29 o   55.672   10.616   34.788   12.259 10.76564 21.23288 
1 1 1   15   12    0 o   87.402   9.1479   85.178   14.363 36.97095 18.29587 
1 1 1   15   12    1 f   65.615   16.372   46.256   21.438      ?      ? 
1 1 1   15   12    2 o  155.750   7.2844  244.271   22.691      ?      ? 
1 1 1   15   12    3 o  112.333   6.3848  131.403   13.777 14.94292 12.76961 
1 1 1   15   12    4 o  146.794   5.0143  218.148   14.388 4.026749 10.02853 
1 1 1   15   12    5 o  196.851   4.1317  390.578   16.087 4.261749 8.263306 
1 1 1   15   12    6 o  309.305   5.7255  961.310   35.419      ?      ? 
1 1 1   15   12    7 o  178.518   4.5493  321.694   16.119 5.456940 9.098501 
1 1 1   15   12    8 o  274.896   3.9609  757.936   21.685 -4.711395 7.921796 
1 1 1   15   12    9 o   89.247   8.6374   82.356   15.225 6.970169 17.27489 
1 1 1   15   12   11 o  274.674   4.1424  742.754   22.462 -32.77814 8.284877 
1 1 1   15   12   12 o  382.636   4.3908  1463.89   33.491 -10.82748 8.781595 
1 1 1   15   12   13 o  265.395   4.2235  710.982   22.261 33.74799 8.447000 
1 1 1   15   12   14 o   98.342   8.3570  101.289   15.978 5.254913 16.71393 
1 1 1   15   12   15 o  254.161   4.2433  647.741   21.397 -8.018784 8.486572 
1 1 1   15   12   16 o   39.135   11.737   2.8043   15.955 0.7563515 23.47460 
1 1 1   15   12   17 o   43.458   12.024   14.549   15.712 9.572247 24.04777 
1 1 1   15   12   18 f  128.317   6.3777  166.587   16.319 8.080635 12.75534 
1 1 1   15   12   19 o   58.522   12.261   36.687   15.338 -2.048946 24.52160 
1 1 1   15   12   20 o   42.055   11.955   10.931   15.492 3.479706 23.91091 
1 1 1   15   12   21 o   44.729   12.360   13.457   16.654 -11.57215 24.72066 
1 1 1   15   12   22 o  170.013   4.7192  291.489   14.844 0.4152832 9.438466 
1 1 1   15   12   23 o   64.517   11.111   50.182   13.937 18.94096 22.22123 
1 1 1   15   12   24 o   99.275   8.3422  108.661   14.363 14.97810 16.68442 
1 1 1   15   12   25 o   55.946   11.599   37.100   14.611 19.04953 23.19706 
1 1 1   15   12   26 o   98.284   8.3912  104.286   14.808 9.415718 16.78241 
1 1 1   15   12   27 o   42.252   12.130   7.5747   15.055 -16.33271 24.25901 
1 1 1   15   12   28 o  129.764   6.4599  164.201   15.253 -13.01337 12.91980 
1 1 1   15   12   29 o   29.897   9.9954  -8.6017   15.255 -9.035379 19.99084 
1 1 1   15   13    0 o  187.818   4.3282  355.880   16.177 7.449188 8.656328 
1 1 1   15   13    1 o  121.250   6.0307  150.176   14.441 10.83871 12.06138 
1 1 1   15   13    2 o  105.907   10.112  113.850   21.418      ?      ? 
1 1 1   15   13    3 f  168.011   4.5501  285.839   15.079 7.409714 9.100278 
1 1 1   15   13    4 o  179.489   6.5498  324.188   23.512      ?      ? 
1 1 1   15   13    5 o  170.366   6.9233  292.284   23.590      ?      ? 
1 1 1   15   13    6 o  112.415   6.7082  131.663   14.651 22.03635 13.41646 
1 1 1   15   13    7 o  169.053   4.9225  291.812   16.410 18.74278 9.844909 
1 1 1   15   13    8 o  304.289   4.1430  934.292   25.157 16.49680 8.285981 
1 1 1   15   13    9 o   47.785   11.672   15.423   16.649 27.44372 23.34437 
1 1 1   15   13   10 o  243.980   4.9608  434.305   20.108 -193.1316 9.921595 
1 1 1   15   13   11 o  329.566   4.2304  988.877   26.422 -97.00763 8.460829 
1 1 1   15   13   12 o   45.300   11.161   7.3971   15.995 31.16573 22.32197 
1 1 1   15   13   13 o  119.561   6.8070  146.800   16.214 7.553574 13.61392 
1 1 1   15   13   14 o  122.503   6.9201  155.040   16.677 22.49728 13.84029 
1 1 1   15   13   15 o   82.428   10.365   72.066   16.160 -47.39338 20.72980 
1 1 1   15   13   16 o   44.396   12.206   16.388   15.694 4.210903 24.41158 
1 1 1   15   13   17 o  113.656   7.2017  133.970   15.927 27.36741 14.40347 
1 1 1   15   13   18 o  161.507   5.0752  260.711   16.332 -14.98801 10.15045 
1 1 1   15   13   19 o   51.858   11.563   23.548   15.360 -30.51424 23.12640 
1 1 1   15   13   20 o   66.453   12.066   49.741   16.142 -5.325935 24.13245 
1 1 1   15   13   21 o   89.443   10.421   92.746   17.164 73.11192 20.84252 
1 1 1   15   13   22 o   65.590   11.281   43.880   13.680 -16.45400 22.56104 
1 1 1   15   13   23 o   47.636   11.700   23.410   13.763 8.495605 23.39923 
1 1 1   15   13   24 o  105.443   7.3757  111.503   14.378 -6.861679 14.75137 
1 1 1   15   13   25 o   35.241   11.117  -6.4212   14.618 -13.18395 22.23479 
1 1 1   15   13   26 o   95.070   9.6790  106.037   15.526 27.36903 19.35802 
1 1 1   15   13   27 o   79.589   11.031   77.383   15.605 29.49631 22.06147 
1 1 1   15   13   28 o   56.068   12.746   34.395   15.655 -1.620258 25.49268 
1 1 1   15   14    0 o  183.405   4.3442  337.975   15.883 -1.901382 8.688309 
1 1 1   15   14    1 o  200.683   4.1317  401.911   16.497 -13.34944 8.263431 
1 1 1   15   14    2 o  134.346   7.9736  182.228   21.424      ?      ? 
1 1 1   15   14    3 o  226.073   5.8158  513.780   26.296      ?      ? 
1 1 1   15   14    4 o  110.532   9.9214  124.150   21.933      ?      ? 
1 1 1   15   14    5 o   37.176   15.936   0.5092   21.207      ?      ? 
1 1 1   15   14    6 o   74.726   9.0775   70.235   15.019 77.93658 18.15503 
1 1 1   15   14    7 o   25.708   8.8808 -48.6790   15.798 8.983570 17.76155 
1 1 1   15   14    8 o  186.880   5.4074  324.438   18.607 -105.2761 10.81480 
1 1 1   15   14    9 o  364.270   4.4288  1312.79   32.030 -39.07037 8.857687 
1 1 1   15   14   10 f  206.794   4.7091  428.556   19.434 -19.18629 9.418228 
1 1 1   15   14   11 o   79.425   10.419   68.302   15.940 1.168396 20.83731 
1 1 1   15   14   12 o   35.559   10.988  -8.7433   15.821 12.76704 21.97624 
1 1 1   15   14   13 o   96.061   8.5748   95.070   16.445 7.319183 17.14964 
1 1 1   15   14   14 o   95.279   8.5576   93.602   16.275 1.847359 17.11511 
1 1 1   15   14   15 o   23.097   8.1639 -55.9928   15.567 -2.276363 16.32774 
1 1 1   15   14   16 o  125.476   6.4890  164.519   15.733 27.02198 12.97804 
1 1 1   15   14   17 o   98.208   7.9560   95.168   15.210 -32.07025 15.91191 
1 1 1   15   14   18 o  122.812   6.3139  153.372   15.212 -3.230339 12.62770 
1 1 1   15   14   19 o   59.087   12.440   38.823   15.685 -3.925545 24.87971 
1 1 1   15   14   20 o  144.890   6.0559  213.731   17.500 3.779999 12.11185 
1 1 1   15   14   21 o   33.132   10.823 -17.9170   17.163 4.877941 21.64543 
1 1 1   15   14   22 o   76.215   11.773   63.944   17.401 -10.25111 23.54683 
1 1 1   15   14   23 f   67.998   11.321   49.738   14.001 -3.984482 22.64234 
1 1 1   15   14   24 o  114.624   7.2442  141.866   14.751 13.91122 14.48844 
1 1 1   15   14   25 o   54.986   12.493   31.581   14.683 -8.177967 24.98654 
1 1 1   15   14   26 o   44.211   12.273   14.818   14.924 -5.982304 24.54626 
1 1 1   15   14   27 o  101.264   13.292  107.385   26.920      ?      ? 
1 1 1   15   15    0 f  151.179   5.1033  229.792   15.367 -8.862457 10.20669 
1 1 1   15   15    1 o  132.059   5.8721  182.840   14.934 36.18786 11.74413 
1 1 1   15   15    2 o   86.975   11.263   77.658   19.591      ?      ? 
1 1 1   15   15    3 o  155.815   7.3606  245.333   22.938      ?      ? 
1 1 1   15   15    4 o   98.403   11.179   98.690   22.001      ?      ? 
1 1 1   15   15    5 o  145.954   8.0082  214.415   23.377      ?      ? 
1 1 1   15   15    6 o  255.461   4.2674  522.042   19.468 -143.8772 8.534863 
1 1 1   15   15    7 o  269.103   5.5410  725.465   29.822      ?      ? 
1 1 1   15   15    8 f  241.900   4.2538  585.403   20.514 -7.131866 8.507655 
1 1 1   15   15    9 o   30.271   10.144 -26.9713   16.614 3.289030 20.28873 
1 1 1   15   15   10 o   36.240   11.121  -2.6226   15.387 6.616947 22.24236 
1 1 1   15   15   11 o  113.314   6.8993  130.876   15.459 1.099068 13.79870 
1 1 1   15   15   12 o  124.097   6.4532  156.079   15.777 -2.532852 12.90636 
1 1 1   15   15   13 o  100.798   8.0349  101.280   15.939 -23.28928 16.06985 
1 1 1   15   15   14 o   26.297   9.1625 -47.1955   15.952 -11.29185 18.32500 
1 1 1   15   15   15 o  226.701   4.3797  520.962   19.575 14.78043 8.759490 
1 1 1   15   15   16 o  107.666   7.4650  118.939   15.558 5.425880 14.93008 
1 1 1   15   15   17 o   34.583   10.772  -5.5772   15.151 6.326647 21.54408 
1 1 1   15   15   18 o   30.939   10.224 -23.0162   15.497 -12.00144 20.44710 
1 1 1   15   15   19 f  158.715   5.4872  250.122   17.233 -28.16182 10.97434 
1 1 1   15   15   20 o  124.562   7.1287  159.015   17.664 1.267822 14.25739 
1 1 1   15   15   21 o   84.525   10.698   76.976   17.468 -1.072914 21.39595 
1 1 1   15   15   22 o  193.580   5.1063  379.767   19.670 -4.924622 10.21264 
1 1 1   15   15   23 o   64.302   11.290   48.720   14.212 16.50719 22.57993 
1 1 1   15   15   24 f   47.527   12.235   15.726   14.523 -23.58017 24.47012 
1 1 1   15   15   25 o   84.076   9.4423   68.058   14.924 -21.55400 18.88465 
1 1 1   15   15   26 o  166.671   5.3506  283.855   15.927 3.817078 10.70126 
1 1 1   15   15   27 o   94.454   9.3005  105.389   14.177 22.38989 18.60105 
1 1 1   15   16    0 o  282.493   5.5012  799.519   31.081      ?      ? 
1 1 1   15   16    1 o  272.470   4.1047  640.247   20.750 -119.6541 8.209354 
1 1 1   15   16    2 o  299.487   5.5881  898.591   33.471      ?      ? 
1 1 1   15   16    3 o  404.724   4.5142  1629.81   36.352 -28.14850 9.028489 
1 1 1   15   16    4 o  263.126   5.9239  693.874   31.174      ?      ? 
1 1 1   15   16    5 o  319.993   5.9781  1026.90   38.259      ?      ? 
1 1 1   15   16    6 o  235.388   5.2910  556.226   24.909      ?      ? 
1 1 1   15   16    7 o   86.790   9.6801   87.818   14.828 31.52631 19.36029 
1 1 1   15   16    8 o  165.971   7.6284  279.329   25.322      ?      ? 
1 1 1   15   16    9 o  181.309   4.5289  329.508   16.085 -4.546997 9.057798 
1 1 1   15   16   10 f  110.346   7.1914  132.216   14.687 24.24551 14.38276 
1 1 1   15   16   11 o  103.357   7.6464  114.281   14.858 17.46358 15.29278 
1 1 1   15   16   12 o   32.102   10.454 -21.0274   15.266 -15.51901 20.90815 
1 1 1   15   16   13 o  142.874   6.7617  234.220   17.084 58.49234 13.52348 
1 1 1   15   16   14 o  175.314   5.2623  315.844   17.201 11.74135 10.52468 
1 1 1   15   16   15 o   82.876   10.231   59.772   15.524 -58.66610 20.46185 
1 1 1   15   16   16 o   53.661   12.687   25.229   15.908 -23.76560 25.37477 
1 1 1   15   16   17 o   61.452   12.386   39.182   16.012 -22.38057 24.77282 
1 1 1   15   16   18 o  137.268   6.1920  185.609   16.713 -25.77909 12.38400 
1 1 1   15   16   19 o   70.444   11.477   56.970   16.927 34.18213 22.95427 
1 1 1   15   16   20 f   39.965   12.081   2.8596   17.360 3.923889 24.16105 
1 1 1   15   16   21 o  132.672   6.9511  180.337   18.367 -6.454193 13.90229 
1 1 1   15   16   22 o   59.488   13.156   39.725   18.019 14.75066 26.31301 
1 1 1   15   16   23 o  109.002   8.3612  123.382   18.129 -13.21083 16.72243 
1 1 1   15   16   24 o   72.121   12.354   59.679   17.643 9.477425 24.70890 
1 1 1   15   16   25 o  117.031   7.9098  140.872   18.349 -3.255470 15.81959 
1 1 1   15   16   26 o   62.807   12.808   42.120   16.644 -16.31543 25.61578 
1 1 1   15   17    0 o  159.332   4.7966  257.303   15.226 12.55492 9.593131 
1 1 1   15   17    1 o  233.633   5.5562  549.513   25.962      ?      ? 
1 1 1   15   17    2 o  239.901   4.0541  581.251   19.405 8.680649 8.108183 
1 1 1   15   17    3 o  210.580   5.6917  447.386   23.971      ?      ? 
1 1 1   15   17    4 o  194.586   4.3503  385.079   16.778 11.90567 8.700506 
1 1 1   15   17    6 o  106.000   11.026  115.019   23.375      ?      ? 
1 1 1   15   17    7 o   38.991   16.534   2.6644   22.397      ?      ? 
1 1 1   15   17    8 o   44.378   17.529   13.436   22.946      ?      ? 
1 1 1   15   17    9 o   89.677   8.2641   76.035   14.214 -30.19570 16.52827 
1 1 1   15   17   10 o   45.835   11.985   19.223   14.244 1.495579 23.96918 
1 1 1   15   17   11 o  175.817   4.9144  311.981   16.267 -5.346405 9.828855 
1 1 1   15   17   12 o  169.786   4.9990  260.257   15.834 -48.21910 9.997950 
1 1 1   15   17   13 o  256.650   4.4173  681.790   21.845 74.27066 8.834509 
1 1 1   15   17   14 o   83.220   9.6781   55.188   14.666 -78.98566 19.35627 
1 1 1   15   17   15 o   57.845   12.388   36.470   14.663 -0.3867989 24.77601 
1 1 1   15   17   16 o   48.796   12.720   20.275   15.763 -13.53930 25.43923 
1 1 1   15   17   17 o  117.094   7.3392  140.948   16.690 2.853127 14.67843 
1 1 1   15   17   18 o   76.281   10.803   72.098   16.996 56.51221 21.60564 
1 1 1   15   17   19 o   65.777   12.900   49.308   17.493 -0.9474335 25.80073 
1 1 1   15   17   20 o  160.048   5.8568  262.049   18.577 3.213913 11.71369 
1 1 1   15   17   21 o   53.325   12.352   27.381   17.757 27.50518 24.70475 
1 1 1   15   17   22 o  102.136   8.9707  109.754   18.249 -4.697212 17.94134 
1 1 1   15   17   23 o   60.635   13.014   41.568   17.752 15.11247 26.02899 
1 1 1   15   17   24 o   61.602   12.703   42.925   17.443 19.16413 25.40689 
1 1 1   15   17   25 o  102.875   8.6198  110.605   17.475 2.910927 17.23956 
1 1 1   15   18    0 o  159.348   4.3919  253.144   13.907 -14.28664 8.783847 
1 1 1   15   18    1 o   97.764   6.7281   98.542   12.901 8.274033 13.45612 
1 1 1   15   18    2 o  123.642   5.4399  155.092   13.311 2.808372 10.87972 
1 1 1   15   18    3 o  214.730   3.8418  462.688   16.393 -4.392136 7.683658 
1 1 1   15   18    4 o  169.093   4.3772  288.824   14.690 3.236771 8.754370 
1 1 1   15   18    5 o  156.837   7.5797  248.960   23.776      ?      ? 
1 1 1   15   18    7 o  110.381   10.790  124.957   23.819      ?      ? 
1 1 1   15   18    8 f  141.026   5.5207  198.219   14.805 -9.870285 11.04147 
1 1 1   15   18    9 o  145.792   5.6518  215.079   15.435 -4.561203 11.30364 
1 1 1   15   18   10 o  198.791   4.6940  395.153   17.677 -3.173798 9.387980 
1 1 1   15   18   11 o  201.315   7.5567  407.442   30.426      ?      ? 
1 1 1   15   18   12 o   40.756   11.826  -1.3119   14.914 -23.41407 23.65163 
1 1 1   15   18   13 o   64.750   11.500   35.313   15.404 -46.52231 22.99934 
1 1 1   15   18   14 o   54.985   12.524   25.501   16.035 -29.95037 25.04820 
1 1 1   15   18   15 o   58.908   12.953   34.085   16.745 -22.51207 25.90660 
1 1 1   15   18   16 o  181.355   5.3108  342.112   18.500 22.65201 10.62165 
1 1 1   15   18   17 o   64.409   12.402   49.123   17.072 20.51950 24.80332 
1 1 1   15   18   18 o  115.674   7.7439  136.900   17.705 -8.052345 15.48786 
1 1 1   15   18   19 o  162.023   5.7234  268.894   18.408 6.520569 11.44685 
1 1 1   15   18   20 o   84.331   10.884   79.475   17.530 19.07929 21.76747 
1 1 1   15   18   21 o   37.596   11.583  -8.9739   17.385 -16.81671 23.16669 
1 1 1   15   18   22 o   71.713   11.636   59.419   17.479 35.12273 23.27180 
1 1 1   15   18   23 o   90.103   9.5614   85.868   17.116 4.222794 19.12274 
1 1 1   15   18   24 o   92.493   9.3332   90.646   16.866 7.243408 18.66645 
1 1 1   15   18   25 o   33.730   10.853   12.009   15.646 -4.268604 21.70600 
1 1 1   15   19    0 o  253.542   5.0773  646.446   25.746      ?      ? 
1 1 1   15   19    1 o  132.172   5.1750  178.855   13.512 16.67764 10.35009 
1 1 1   15   19    2 o  152.871   4.7244  237.754   14.335 12.82359 9.448840 
1 1 1   15   19    3 o  180.696   4.2866  329.355   15.471 -2.315369 8.573193 
1 1 1   15   19    4 o  222.895   4.0250  501.660   17.915 -2.980698 8.050094 
1 1 1   15   19    5 o  108.329   6.9840  123.160   15.011 6.508102 13.96800 
1 1 1   15   19    6 o   86.722   12.967   80.134   22.490      ?      ? 
1 1 1   15   19    7 o   99.778   11.830  101.886   23.608      ?      ? 
1 1 1   15   19    8 o  185.386   4.7530  286.701   16.060 -90.46422 9.506013 
1 1 1   15   19    9 o  178.526   5.3997  350.095   17.556 57.07227 10.79946 
1 1 1   15   19   10 o  170.598   5.2796  294.947   17.119 1.744278 10.55911 
1 1 1   15   19   11 o   46.781   12.497   18.142   15.307 -9.193222 24.99430 
1 1 1   15   19   12 o   29.635   9.9556 -23.0647   15.455 -3.166582 19.91116 
1 1 1   15   19   13 o  111.223   7.6389  122.242   16.582 -24.73148 15.27775 
1 1 1   15   19   14 o   96.141   10.449  115.663   16.932 61.03880 20.89771 
1 1 1   15   19   15 o   94.224   9.0148   92.111   16.743 3.205940 18.02960 
1 1 1   15   19   16 o   25.256   8.8955 -57.2294   16.822 -7.975809 17.79105 
1 1 1   15   19   17 o   45.522   12.656   14.186   16.874 -9.524529 25.31193 
1 1 1   15   19   18 o  126.458   7.0386  167.245   17.518 20.80077 14.07715 
1 1 1   15   19   19 o   44.688   12.616   14.053   17.065 2.139420 25.23116 
1 1 1   15   19   20 o   40.019   12.015   1.8190   16.992 -12.18150 24.02964 
1 1 1   15   19   21 f   53.193   12.508   29.892   16.660 16.99569 25.01540 
1 1 1   15   19   22 o  100.975   8.2875  105.484   16.571 -3.516273 16.57503 
1 1 1   15   19   23 o  156.113   5.6955  249.526   17.507 6.828598 11.39102 
1 1 1   15   19   24 f  151.423   6.0079  248.344   17.892 12.37024 12.01577 
1 1 1   15   20    0 o  137.333   5.4020  190.880   14.781 6.700027 10.80390 
1 1 1   15   20    1 o  230.113   4.0384  532.722   18.557 6.239517 8.076732 
1 1 1   15   20    2 o  152.980   5.1732  236.382   15.707 4.134918 10.34648 
1 1 1   15   20    3 o  249.038   4.0666  620.589   20.129 38.55835 8.133183 
1 1 1   15   20    4 o  225.847   4.1985  512.036   18.873 29.17038 8.396958 
1 1 1   15   20    5 o  324.327   4.1539  1051.25   26.887 -18.66937 8.307883 
1 1 1   15   20    6 o  304.091   4.7236  590.067   22.888 -235.8371 9.447287 
1 1 1   15   20    7 o  170.596   7.2892  293.852   24.870      ?      ? 
1 1 1   15   20    8 o   36.163   10.455   0.6895   13.892 14.15003 20.90970 
1 1 1   15   20    9 o   27.979   9.3268 -21.0357   13.903 3.038818 18.65366 
1 1 1   15   20   10 o   33.092   15.189 -13.7201   23.041      ?      ? 
1 1 1   15   20   11 o   42.838   11.948   11.280   15.019 -12.41102 23.89602 
1 1 1   15   20   12 o  134.493   6.4384  184.485   16.823 0.2593994 12.87684 
1 1 1   15   20   13 o  192.790   4.8935  376.376   18.592 4.077576 9.787029 
1 1 1   15   20   14 o   68.803   11.593   54.602   16.800 29.97963 23.18613 
1 1 1   15   20   15 o   28.605   9.7786 -33.6160   16.607 -4.734354 19.55711 
1 1 1   15   20   16 o   51.888   11.404   23.531   16.563 34.19098 22.80787 
1 1 1   15   20   17 o   91.419   9.4360   88.282   17.200 8.506554 18.87209 
1 1 1   15   20   18 o   76.535   11.313   65.615   17.128 28.00695 22.62699 
1 1 1   15   20   19 o   60.628   12.202   42.193   16.583 23.42863 24.40347 
1 1 1   15   20   20 o  114.147   7.4606  136.588   16.716 10.69661 14.92126 
1 1 1   15   20   21 o  124.527   6.8639  160.379   16.821 6.375320 13.72775 
1 1 1   15   20   22 o  110.980   7.5299  125.163   16.592 -13.50655 15.05970 
1 1 1   15   20   23 o   45.451   12.137   25.476   16.107 13.73494 24.27471 
1 1 1   15   21    0 o  176.495   4.5745  316.812   15.996 25.33836 9.149081 
1 1 1   15   21    1 o  108.001   7.2706  123.385   15.113 29.08218 14.54125 
1 1 1   15   21    2 o   73.366   10.532   57.947   14.877 -7.417000 21.06337 
1 1 1   15   21    3 o   69.097   10.822   51.155   14.584 -20.05606 21.64328 
1 1 1   15   21    4 o   45.065   10.705   14.178   14.429 28.63130 21.41084 
1 1 1   15   21    5 o   82.854   9.6432   78.200   14.623 35.37702 19.28649 
1 1 1   15   21    6 o  212.434   4.2592  456.763   18.026 22.39717 8.518415 
1 1 1   15   21    7 o   84.642   9.5812   80.711   14.920 32.27721 19.16231 
1 1 1   15   21    8 o   54.013   17.917   31.527   22.585      ?      ? 
1 1 1   15   21    9 f   43.486   11.608   8.0403   14.833 -24.24181 23.21544 
1 1 1   15   21   10 f  156.413   8.1657  248.393   25.545      ?      ? 
1 1 1   15   21   11 f  103.049   8.0061  111.174   15.983 11.29138 16.01213 
1 1 1   15   21   12 o   89.239   9.8634   89.964   16.062 26.52579 19.72680 
1 1 1   15   21   13 o   77.018   10.715   63.373   16.101 -20.53059 21.43041 
1 1 1   15   21   14 o  101.708   8.5527  106.492   17.060 -4.427681 17.10532 
1 1 1   15   21   15 o   65.386   12.830   48.670   17.209 0.7702103 25.66034 
1 1 1   15   21   16 o   87.881   10.625   84.228   18.070 11.14408 21.25005 
1 1 1   15   21   17 f  142.164   6.6933  209.113   18.921 16.93884 13.38669 
1 1 1   15   21   18 o   52.942   12.805   28.621   17.476 17.78340 25.61065 
1 1 1   15   21   19 o   63.906   12.565   44.842   16.426 -12.55183 25.12903 
1 1 1   15   21   20 o   72.732   11.461   58.155   15.850 -0.1466599 22.92257 
1 1 1   15   21   21 o  149.643   5.6086  221.542   16.372 -17.71408 11.21717 
1 1 1   15   21   22 o   30.986   10.060   7.2974   14.360 -6.197092 20.11996 
1 1 1   15   22    0 o  170.780   4.3667  294.668   14.793 -1.351791 8.733327 
1 1 1   15   22    1 o  327.415   3.9612  1082.29   25.908 0.6981201 7.922432 
1 1 1   15   22    2 o  196.598   4.1679  394.284   16.227 25.00150 8.335847 
1 1 1   15   22    3 o  104.290   8.7513  111.342   18.254      ?      ? 
1 1 1   15   22    4 f  106.031   6.5959  117.296   13.694 11.44560 13.19172 
1 1 1   15   22    5 o  187.593   4.3075  358.051   16.047 14.97018 8.614982 
1 1 1   15   22    6 o  109.732   6.7208  122.582   14.655 -4.891388 13.44155 
1 1 1   15   22    7 o  108.397   6.9525  118.706   14.922 -7.913704 13.90500 
1 1 1   15   22    8 o  185.587   4.5551  339.724   16.653 -22.32701 9.110183 
1 1 1   15   22    9 o   91.477   13.026   86.836   23.832      ?      ? 
1 1 1   15   22   10 f  166.007   7.9073  281.411   26.253      ?      ? 
1 1 1   15   22   11 f   92.467   8.7104   88.547   15.916 -7.380981 17.42080 
1 1 1   15   22   12 f  183.613   4.9079  347.119   17.708 23.32259 9.815732 
1 1 1   15   22   13 o  105.236   7.6757  113.025   16.009 -12.02488 15.35131 
1 1 1   15   22   14 o   95.377   8.3309   92.565   15.688 -19.96918 16.66184 
1 1 1   15   22   15 o   31.861   10.372 -15.2449   15.620 5.118788 20.74322 
1 1 1   15   22   16 f  112.234   7.4857  133.061   16.483 21.60710 14.97134 
1 1 1   15   22   17 o  111.531   7.6743  126.884   16.837 -8.849709 15.34862 
1 1 1   15   22   18 o   71.128   11.921   56.481   16.332 -2.132912 23.84254 
1 1 1   15   22   19 o  125.918   6.7139  157.956   16.445 -13.12537 13.42782 
1 1 1   15   22   20 o   67.328   11.425   54.127   15.443 22.59156 22.85024 
1 1 1   15   23    0 o  232.094   3.7771  533.572   17.312 -21.10561 7.554180 
1 1 1   15   23    1 o  160.192   4.5034  259.519   14.236 3.375565 9.006843 
1 1 1   15   23    2 o  187.621   4.1015  349.991   15.199 -13.90240 8.202938 
1 1 1   15   23    3 o  143.406   6.3970  207.307   18.347      ?      ? 
1 1 1   15   23    4 o  198.355   4.0242  391.455   15.775 -13.92281 8.048475 
1 1 1   15   23    5 o  158.794   5.0378  270.501   14.906 61.38876 10.07553 
1 1 1   15   23    6 f   87.200   8.2712   80.460   13.944 8.619019 16.54244 
1 1 1   15   23    7 o  152.315   5.1420  239.435   15.321 11.33316 10.28400 
1 1 1   15   23    8 o  187.464   4.5140  359.462   16.607 10.33127 9.028065 
1 1 1   15   23    9 o  124.719   6.2028  159.356   15.048 2.443237 12.40562 
1 1 1   15   23   10 o  187.918   7.0242  358.151   26.400      ?      ? 
1 1 1   15   23   11 o  161.236   7.8326  264.975   25.258      ?      ? 
1 1 1   15   23   12 o  161.735   5.0806  264.447   16.218 -4.154892 10.16120 
1 1 1   15   23   13 o  102.656   7.5744  108.936   15.319 -1.261139 15.14882 
1 1 1   15   23   14 o   65.796   11.498   49.591   14.990 6.630138 22.99566 
1 1 1   15   23   15 o   60.037   10.742   41.271   15.380 37.34469 21.48346 
1 1 1   15   23   16 f  141.408   5.7669  201.187   16.020 -10.54930 11.53388 
1 1 1   15   23   17 o   73.795   10.668   60.429   14.907 10.52807 21.33568 
1 1 1   15   23   18 f  153.155   5.1620  233.038   15.220 -10.64020 10.32396 
1 1 1   15   23   19 o   49.193   10.752   27.889   13.532 23.52868 21.50325 
1 1 1   15   24    0 o  307.009   5.2126  951.495   32.006      ?      ? 
1 1 1   15   24    1 o  175.157   5.3902  309.900   18.882      ?      ? 
1 1 1   15   24    2 o   81.849   9.8355   69.174   16.100      ?      ? 
1 1 1   15   24    3 o   90.048   7.1551   82.672   12.557 -4.297470 14.31030 
1 1 1   15   24    4 o  127.163   5.2732  160.371   13.125 -13.93395 10.54638 
1 1 1   15   24    5 o  125.129   5.4407  154.436   13.275 -15.54537 10.88141 
1 1 1   15   24    6 o  127.077   5.4940  161.735   13.535 -7.096519 10.98807 
1 1 1   15   24    7 o   79.213   9.0069   66.410   13.634 0.4909592 18.01384 
1 1 1   15   24    8 o   97.162   7.4375   96.361   14.330 -9.756958 14.87498 
1 1 1   15   24    9 f  104.033   7.2159  111.880   14.853 1.994293 14.43187 
1 1 1   15   24   10 o  130.872   5.9218  172.422   15.386 -18.80103 11.84350 
1 1 1   15   24   11 o  104.026   7.4757  114.911   15.127 16.01560 14.95131 
1 1 1   15   24   12 o  101.838   7.5758  106.488   15.275 -9.076340 15.15165 
1 1 1   15   24   13 o  110.233   7.1316  127.845   15.305 12.70505 14.26320 
1 1 1   15   24   14 o  158.467   5.2129  256.859   16.218 5.200790 10.42580 
1 1 1   15   24   15 o   95.929   8.0969   95.550   15.170 0.9204025 16.19376 
1 1 1   15   24   16 o  206.519   4.3642  429.611   17.654 -2.058548 8.728385 
1 1 1   15   24   17 o  102.627   7.5435  104.895   14.596 -10.66679 15.08698 
1 1 1   15   25    0 o  118.859   7.4526  143.738   17.716      ?      ? 
1 1 1   15   25    1 o  115.584   7.2013  135.770   16.647      ?      ? 
1 1 1   15   25    2 o   63.618   13.045   43.987   16.027      ?      ? 
1 1 1   15   25    3 o   61.534   13.442   41.382   16.086      ?      ? 
1 1 1   15   25    4 o  110.142   6.1579  126.163   13.098 8.478920 12.31583 
1 1 1   15   25    5 o  134.026   5.3110  180.453   13.913 -7.135452 10.62193 
1 1 1   15   25    6 o   99.502   7.0732  101.255   13.739 -2.901947 14.14644 
1 1 1   15   25    7 f  190.434   4.2662  365.420   15.951 -3.506149 8.532475 
1 1 1   15   25    8 o  167.645   4.7046  285.628   15.484 1.540497 9.409105 
1 1 1   15   25    9 o  173.212   4.7354  304.179   16.237 -2.158295 9.470755 
1 1 1   15   25   10 o  111.063   6.9534  126.545   15.346 -5.306801 13.90683 
1 1 1   15   25   11 o   60.752   10.125   43.146   14.702 43.80409 20.25081 
1 1 1   15   25   12 o  136.581   5.7948  189.693   15.543 -3.052109 11.58952 
1 1 1   15   25   13 o   99.314   7.5931   99.092   14.842 -14.78529 15.18622 
1 1 1   15   25   14 o  132.035   5.7999  176.343   14.818 -2.334900 11.59980 
1 1 1   15   25   15 o  144.029   5.2876  204.773   14.329 -11.38315 10.57514 
1 1 1   15   25   16 o   65.948   10.169   63.466   12.478 34.78493 20.33701 
1 1 1   15   26    0 o  145.145   6.1018  213.369   17.713      ?      ? 
1 1 1   15   26    1 o  115.926   7.7020  137.135   17.857      ?      ? 
1 1 1   15   26    2 o   46.629   15.348   23.099   16.573      ?      ? 
1 1 1   15   26    3 o   56.949   14.289   36.049   16.262      ?      ? 
1 1 1   15   26    4 f   48.487   15.106   25.659   16.207      ?      ? 
1 1 1   15   26    5 o   37.329   14.690   10.059   16.061      ?      ? 
1 1 1   15   26    6 o   52.123   10.552   31.185   13.233 26.09999 21.10397 
1 1 1   15   26    7 o   86.249   10.187   76.796   17.573      ?      ? 
1 1 1   15   26    8 o  149.964   5.0739  228.916   14.874 1.808990 10.14774 
1 1 1   15   26    9 o  199.947   4.2452  403.955   16.738 -1.247726 8.490368 
1 1 1   15   26   10 f  169.034   4.2121  286.662   12.486 -1.691330 8.424173 
1 1 1   15   26   11 o  118.889   9.7828  144.824   23.261      ?      ? 
1 1 1   15   26   12 o  127.846   5.8042  166.597   14.113 1.351196 11.60842 
1 1 1   15   26   13 o   98.330   7.8504  104.750   14.109 13.18977 15.70075 
1 1 1   15   26   14 o  124.550   6.6069  187.477   14.424 38.92603 13.21377 
1 1 1   15   27    0 o  225.383   4.9388  511.902   22.262      ?      ? 
1 1 1   15   27    1 o  130.069   6.5368  171.475   17.005      ?      ? 
1 1 1   15   27    2 o  103.763   8.0151  109.882   16.633      ?      ? 
1 1 1   15   27    3 f   82.481   10.183   70.322   16.797      ?      ? 
1 1 1   15   27    4 o  138.737   6.1592  194.871   17.090      ?      ? 
1 1 1   15   27    5 o  152.850   5.6678  236.018   17.326      ?      ? 
1 1 1   15   27    6 o  190.867   4.0453  363.681   15.014 -8.493347 8.090678 
1 1 1   15   27    7 o  141.005   5.9701  200.700   16.836      ?      ? 
1 1 1   15   27    8 o  167.003   5.4611  281.014   18.241      ?      ? 
1 1 1   15   27   10 o   70.593   10.194   50.522   13.337 -18.69921 20.38766 
1 1 1   15   27   11 o   69.708   10.340   54.383   13.586 -5.359703 20.67916 
1 1 1   15   28    0 o  242.596   4.7189  591.890   22.896      ?      ? 
1 1 1   15   28    1 o  232.525   4.6489  543.676   21.620      ?      ? 
1 1 1   15   28    2 o  226.255   4.5979  514.708   20.806      ?      ? 
1 1 1   15   28    3 o  180.225   4.7503  326.734   17.122      ?      ? 
1 1 1   15   28    4 o  188.213   4.7707  356.423   17.958      ?      ? 
1 1 1   15   28    5 o  122.000   5.8376  151.759   12.671 1.110580 11.67528 
1 1 1   15   28    6 o   66.013   9.9558   44.980   13.144      ?      ? 
1 1 1   16    0    3 o  137.422   8.0563  191.390   21.984 -0.000000 0.000000 
1 1 1   16    0    4 o   92.288   11.771   89.842   21.156 -0.000000 0.000000 
1 1 1   16    0    5 o  118.630   9.2572  143.923   21.700 -0.000000 0.000000 
1 1 1   16    0    6 o  267.772   5.7248  719.326   30.628 -0.000000 0.000000 
1 1 1   16    0    7 o  120.407   9.2360  148.235   21.983 -0.000000 0.000000 
1 1 1   16    0    8 o   64.703   18.701   51.786   20.971 -0.000000 0.000000 
1 1 1   16    0    9 o   38.870   20.450   22.788   20.854 -0.000000 0.000000 
1 1 1   16    0   10 o  149.145   7.6752  225.158   22.766 -0.000000 0.000000 
1 1 1   16    0   11 o   39.942   20.933   24.176   21.786 -0.000000 0.000000 
1 1 1   16    0   12 o   29.193   18.569   4.5631   23.071 -0.000000 0.000000 
1 1 1   16    0   13 o   40.337   22.025   24.701   24.912 -0.000000 0.000000 
1 1 1   16    0   14 o  514.117   7.6443  2651.09   78.562 -0.000000 0.000000 
1 1 1   16    0   15 o  225.645   6.8519  511.424   30.859 -0.000000 0.000000 
1 1 1   16    0   16 o   70.046   20.700   62.533   25.181 -0.000000 0.000000 
1 1 1   16    0   17 o   86.433   15.936   82.963   24.900 -0.000000 0.000000 
1 1 1   16    0   18 o   32.377   20.109   9.6639   25.391 -0.000000 0.000000 
1 1 1   16    0   20 o  142.999   9.1493  207.751   25.947 -0.000000 0.000000 
1 1 1   16    0   21 o   30.385   19.068   7.6192   23.499 -0.000000 0.000000 
1 1 1   16    0   22 o   51.049   21.992   39.182   22.903 -0.000000 0.000000 
1 1 1   16    0   23 o  204.932   7.0119  423.710   28.666 -0.000000 0.000000 
1 1 1   16    0   24 o   44.230   23.261   31.491   26.972 -0.000000 0.000000 
1 1 1   16    0   25 o   39.631   13.303   18.862   16.945 -0.000000 0.000000 
1 1 1   16    0   26 o  111.439   8.3819  129.432   17.843 -0.000000 0.000000 
1 1 1   16    0   27 o   45.333   16.322   31.899   18.269 -0.000000 0.000000 
1 1 1   16    0   28 f   80.738   14.356   80.168   19.942 -0.000000 0.000000 
1 1 1   16    0   29 o  123.807   8.3928  163.425   19.902 -0.000000 0.000000 
1 1 1   16    0   30 o   68.637   13.195   54.341   16.798 -0.000000 0.000000 
1 1 1   16    1    2 o  104.989   10.232  111.358   21.485      ?      ? 
1 1 1   16    1    3 o  113.662   6.7770  130.379   15.402 0.4028320E-02 13.55393 
1 1 1   16    1    4 o   58.726   12.088   36.273   15.052 -1.666466 24.17692 
1 1 1   16    1    5 o   89.820   8.6078   81.937   15.456 -3.734657 17.21567 
1 1 1   16    1    6 o  158.344   7.4022  252.290   23.442      ?      ? 
1 1 1   16    1    7 o  133.924   5.9492  181.106   15.898 -10.74336 11.89839 
1 1 1   16    1    8 o  205.818   4.3173  425.616   17.771 -2.124496 8.634630 
1 1 1   16    1    9 o   68.539   11.007   50.683   14.860 -16.56556 22.01363 
1 1 1   16    1   10 o   74.691   10.438   59.078   15.258 -12.98093 20.87576 
1 1 1   16    1   11 o   63.770   11.759   43.386   15.251 12.08081 23.51845 
1 1 1   16    1   12 o   45.846   12.318   14.528   15.876 12.35989 24.63519 
1 1 1   16    1   13 o   28.670   9.7634 -35.3850   16.878 -2.902702 19.52689 
1 1 1   16    1   14 o  285.579   4.3916  648.215   22.315 151.8320 8.783240 
1 1 1   16    1   15 o  173.601   5.5773  290.364   18.673 65.53146 11.15451 
1 1 1   16    1   16 o   53.575   12.898   29.707   17.070 -11.87894 25.79614 
1 1 1   16    1   17 o   68.632   12.176   51.850   17.072 -20.50888 24.35136 
1 1 1   16    1   18 o   42.083   12.398   6.2428   17.371 2.106262 24.79572 
1 1 1   16    1   19 f  125.890   7.4310  166.112   18.612 -17.84298 14.86202 
1 1 1   16    1   20 o  168.451   5.8382  287.977   18.798 65.11060 11.67645 
1 1 1   16    1   21 o   82.297   10.579   74.913   16.686 22.39595 21.15860 
1 1 1   16    1   22 o   52.795   12.744   29.431   16.145 -1.328026 25.48888 
1 1 1   16    1   23 o   71.979   10.948   55.734   17.543 55.31175 21.89649 
1 1 1   16    1   24 o   42.512   12.700   5.3678   18.793 7.533981 25.39915 
1 1 1   16    1   25 o   56.540   11.150   39.444   14.441 26.26604 22.29922 
1 1 1   16    1   26 o   48.217   10.854   23.964   12.377 -15.57302 21.70871 
1 1 1   16    1   27 o   42.080   11.168   15.449   12.830 5.745281 22.33648 
1 1 1   16    1   28 o   33.828   10.256  -7.6098   13.765 -16.37473 20.51248 
1 1 1   16    1   29 o   84.670   8.2563   74.547   13.895 5.460289 16.51268 
1 1 1   16    1   30 o   50.072   11.135   31.053   12.355 -6.088493 22.27012 
1 1 1   16    2    2 o  202.641   6.2212  412.218   25.214      ?      ? 
1 1 1   16    2    3 o  169.938   4.8226  290.157   16.390 -0.2349091 9.645288 
1 1 1   16    2    4 o  221.439   4.1538  492.155   18.393 5.228012 8.307550 
1 1 1   16    2    5 o  154.203   5.1633  239.147   15.922 3.717560 10.32661 
1 1 1   16    2    6 o   75.194   10.425   59.828   15.118 -1.756516 20.84976 
1 1 1   16    2    7 o  114.267   6.7603  131.952   15.445 3.745041 13.52067 
1 1 1   16    2    8 o  156.689   5.1786  246.883   16.216 7.840897 10.35712 
1 1 1   16    2    9 o   87.612   8.5734   78.340   15.020 -1.942032 17.14679 
1 1 1   16    2   10 o  158.182   7.4812  252.274   23.668      ?      ? 
1 1 1   16    2   11 o   33.136   10.595 -10.9124   15.142 -1.508205 21.19001 
1 1 1   16    2   12 o   38.731   11.407  -3.5861   15.785 18.25199 22.81482 
1 1 1   16    2   13 o   32.606   10.245 -33.1507   16.837 -21.20121 20.49055 
1 1 1   16    2   14 o  215.012   4.5195  466.214   19.317 -23.13934 9.039094 
1 1 1   16    2   15 o  105.869   8.6736  119.630   17.319 142.5591 17.34716 
1 1 1   16    2   16 o   29.582   9.9458 -32.2751   16.857 -7.630344 19.89168 
1 1 1   16    2   17 o   91.895   9.2621   87.201   16.998 2.324104 18.52419 
1 1 1   16    2   18 o   49.072   12.428   18.490   17.070 -21.17816 24.85632 
1 1 1   16    2   19 o   40.447   12.126   2.2874   17.881 11.79754 24.25263 
1 1 1   16    2   20 o  152.116   6.3291  232.889   19.116 24.72427 12.65825 
1 1 1   16    2   21 o   32.558   10.704 -20.2897   17.012 -7.281607 21.40866 
1 1 1   16    2   22 o  105.734   8.2102  116.401   17.358 2.344559 16.42039 
1 1 1   16    2   23 o  147.670   6.4596  224.666   18.753 -30.02119 12.91922 
1 1 1   16    2   24 o   35.315   11.465 -17.0938   18.792 8.904522 22.93055 
1 1 1   16    2   25 o   53.549   12.054   32.235   14.428 9.636349 24.10851 
1 1 1   16    2   26 o   41.207   10.692   12.918   12.319 15.41100 21.38345 
1 1 1   16    2   27 f   34.002   10.242  -0.4101   12.702 9.763777 20.48310 
1 1 1   16    2   28 o   59.877   11.285   40.204   13.834 7.288837 22.57022 
1 1 1   16    2   29 o   81.507   8.6580   69.590   13.608 -18.36897 17.31596 
1 1 1   16    2   30 o   40.954   15.969   22.541   18.870      ?      ? 
1 1 1   16    3    2 o  163.134   7.0637  267.499   23.047      ?      ? 
1 1 1   16    3    3 f  264.927   3.9992  703.615   21.180 -7.837708 7.998359 
1 1 1   16    3    4 o  118.623   6.4534  141.852   15.302 -3.709007 12.90679 
1 1 1   16    3    5 o  142.815   5.5072  205.010   15.715 -8.458801 11.01447 
1 1 1   16    3    6 o  196.786   6.2108  388.999   24.444      ?      ? 
1 1 1   16    3    7 o  107.040   7.1919  116.230   15.370 4.589790 14.38389 
1 1 1   16    3    8 f  124.206   6.1819  156.096   15.326 -8.506126 12.36388 
1 1 1   16    3    9 o  167.017   4.9084  280.875   16.386 0.4763489 9.816885 
1 1 1   16    3   10 o  136.665   5.8962  188.158   16.092 9.988113 11.79243 
1 1 1   16    3   11 o   95.275   8.2684   93.610   15.553 -15.85310 16.53684 
1 1 1   16    3   12 o  185.435   4.8352  345.806   17.905 10.85876 9.670479 
1 1 1   16    3   13 o  131.595   6.7632  172.473   17.399 39.43633 13.52650 
1 1 1   16    3   14 o  279.560   4.1939  775.824   23.311 23.61771 8.387856 
1 1 1   16    3   15 o   51.599   12.110   17.372   17.316 32.51995 24.21953 
1 1 1   16    3   16 o   43.565   12.511   10.744   16.971 -0.2975464E-01 25.02179 
1 1 1   16    3   17 o   69.165   12.333   52.738   17.044 -0.6943130 24.66560 
1 1 1   16    3   18 o   84.794   11.216   77.184   18.462 -3.018150 22.43168 
1 1 1   16    3   19 o   49.915   13.723   17.379   19.791 14.44422 27.44691 
1 1 1   16    3   20 o  177.691   6.0628  304.693   20.943 58.27719 12.12567 
1 1 1   16    3   21 o   61.395   13.019   42.104   17.999 -18.04040 26.03858 
1 1 1   16    3   22 o   78.052   11.616   68.089   17.592 13.05550 23.23240 
1 1 1   16    3   23 o  176.090   5.5081  313.773   19.396 -3.754242 11.01629 
1 1 1   16    3   24 f   40.917   12.449   1.2511   18.894 -8.829147 24.89812 
1 1 1   16    3   25 o   87.980   9.1692   77.425   14.720 -8.593842 18.33845 
1 1 1   16    3   26 o   34.294   10.262   1.9587   12.364 -4.776932 20.52472 
1 1 1   16    3   27 o   54.895   11.099   33.669   12.797 0.6863556 22.19862 
1 1 1   16    3   28 o   42.966   11.396   14.592   13.991 -12.78008 22.79160 
1 1 1   16    3   29 o   94.250   7.2928   91.381   13.703 9.555870 14.58566 
1 1 1   16    4    2 o  154.696   7.5660  240.790   23.409      ?      ? 
1 1 1   16    4    3 f  176.795   4.7327  313.486   16.714 -12.10841 9.465411 
1 1 1   16    4    4 f  172.452   4.8675  298.859   16.759 -1.224304 9.735071 
1 1 1   16    4    5 o  157.824   7.0929  250.544   22.389      ?      ? 
1 1 1   16    4    6 o  181.161   4.7084  330.281   17.042 5.993271 9.416755 
1 1 1   16    4    7 o  219.137   4.2302  482.415   18.532 -0.3511963 8.460388 
1 1 1   16    4    8 f  234.420   4.1329  551.975   19.369 9.593887 8.265847 
1 1 1   16    4    9 o  229.217   4.2652  528.508   19.541 5.239380 8.530338 
1 1 1   16    4   10 o  133.547   6.0239  180.457   16.045 12.20221 12.04773 
1 1 1   16    4   11 o  100.992   7.5178  103.786   15.183 -2.324768 15.03564 
1 1 1   16    4   13 o  144.360   6.8622  211.381   16.777 -106.8085 13.72435 
1 1 1   16    4   14 o  302.570   4.2958  746.701   23.436 151.0715 8.591573 
1 1 1   16    4   15 o   52.727   18.212   27.686   23.375      ?      ? 
1 1 1   16    4   16 o  112.495   7.5528  129.954   16.898 -13.23493 15.10563 
1 1 1   16    4   17 o  160.841   5.6599  262.030   18.176 12.99718 11.31976 
1 1 1   16    4   18 o   34.909   10.894 -20.9516   17.485 -18.49256 21.78842 
1 1 1   16    4   19 o  146.347   6.9452  220.330   19.794 -10.39301 13.89048 
1 1 1   16    4   20 o  112.702   10.155  148.295   19.263 -63.51315 20.30931 
1 1 1   16    4   21 o   56.323   13.062   33.958   17.416 -12.03470 26.12340 
1 1 1   16    4   22 o  133.101   6.7309  182.320   17.869 9.685379 13.46181 
1 1 1   16    4   23 o   74.113   12.278   60.487   17.934 -9.625259 24.55698 
1 1 1   16    4   24 o   60.246   13.553   40.951   18.629 -10.56603 27.10699 
1 1 1   16    4   25 o   40.234   11.504   9.8637   14.390 4.505146 23.00815 
1 1 1   16    4   26 o   60.579   12.359   40.120   14.830 -3.394325 24.71813 
1 1 1   16    4   27 o   71.153   9.3245   54.465   12.963 -9.419373 18.64907 
1 1 1   16    4   28 o   83.646   8.4271   73.102   14.093 2.362312 16.85429 
1 1 1   16    4   29 o  110.476   6.0912  124.448   13.452 -1.889481 12.18246 
1 1 1   16    5    2 o  175.195   6.5521  308.424   22.958      ?      ? 
1 1 1   16    5    3 o  139.499   5.5555  196.797   15.409 6.534561 11.11104 
1 1 1   16    5    4 o  187.000   4.5539  351.039   17.004 -3.096451 9.107722 
1 1 1   16    5    5 o  152.402   5.1598  233.916   15.711 2.613342 10.31954 
1 1 1   16    5    6 o  119.239   6.4417  143.590   15.341 -1.533592 12.88348 
1 1 1   16    5    7 o  108.977   7.2407  122.677   15.478 19.79442 14.48131 
1 1 1   16    5    8 f  141.481   7.7674  201.940   21.979      ?      ? 
1 1 1   16    5    9 o  115.377   6.5420  134.556   15.059 -2.648895 13.08392 
1 1 1   16    5   10 o  181.329   6.7497  331.035   24.478      ?      ? 
1 1 1   16    5   11 o   36.806   11.351  -2.5321   15.701 0.2894592E-01 22.70227 
1 1 1   16    5   13 o  211.902   4.2430  450.121   17.981 2.860306 8.485968 
1 1 1   16    5   14 o  168.672   5.2935  285.620   17.082 66.40211 10.58703 
1 1 1   16    5   15 o   92.137   8.7032   88.932   15.939 10.23512 17.40647 
1 1 1   16    5   16 o  153.020   5.6750  236.299   17.338 -11.82611 11.35008 
1 1 1   16    5   17 o   40.143   11.975   2.9562   16.663 -6.013798 23.94954 
1 1 1   16    5   18 o   70.563   11.246   58.823   17.581 -47.87558 22.49161 
1 1 1   16    5   19 o  131.812   7.1090  174.037   18.040 49.19372 14.21795 
1 1 1   16    5   20 o   37.683   11.369 -12.6951   17.684 -19.41383 22.73876 
1 1 1   16    5   21 o   61.849   12.702   42.509   16.996 14.79254 25.40373 
1 1 1   16    5   22 o  124.935   7.3035  161.349   18.055 21.84684 14.60692 
1 1 1   16    5   23 o   71.616   12.349   56.145   17.910 -23.74763 24.69818 
1 1 1   16    5   24 o   49.812   13.503   21.567   18.859 -2.266094 27.00686 
1 1 1   16    5   25 o   46.341   12.430   18.648   14.732 -5.166077 24.85915 
1 1 1   16    5   26 o   76.377   10.893   61.655   15.125 -3.943703 21.78529 
1 1 1   16    5   27 o   55.561   12.579   34.425   15.512 4.962555 25.15850 
1 1 1   16    5   28 f  105.262   6.6681  113.488   14.015 8.507278 13.33624 
1 1 1   16    5   29 o   67.375   9.8444   49.126   13.098 -24.63876 19.68874 
1 1 1   16    6    1 o  162.904   6.9143  266.866   22.527      ?      ? 
1 1 1   16    6    2 o   82.701   12.538   69.667   20.738      ?      ? 
1 1 1   16    6    3 f   68.131   14.960   49.456   19.831      ?      ? 
1 1 1   16    6    4 f  143.251   5.2634  206.638   15.076 4.118668 10.52678 
1 1 1   16    6    5 o  224.010   4.0276  503.936   18.045 0.2377319 8.055264 
1 1 1   16    6    6 o  160.984   4.8319  260.840   15.557 -0.6649170 9.663750 
1 1 1   16    6    7 f   97.664   10.585   96.945   20.675      ?      ? 
1 1 1   16    6    8 o  168.178   4.6821  284.219   15.735 -9.499832 9.364269 
1 1 1   16    6    9 o   95.235   11.264   92.390   21.455      ?      ? 
1 1 1   16    6   11 o   35.661   11.114  -6.2837   15.877 6.693859 22.22736 
1 1 1   16    6   12 o  220.308   4.4702  482.148   19.386 55.05295 8.940430 
1 1 1   16    6   13 o  293.977   4.0160  865.942   23.609 2.195068 8.032021 
1 1 1   16    6   14 o  117.227   6.6880  140.569   15.496 19.25708 13.37594 
1 1 1   16    6   15 o   51.691   11.920   25.343   15.211 -21.39460 23.84077 
1 1 1   16    6   16 o   45.015   12.076   11.991   16.225 -17.96325 24.15111 
1 1 1   16    6   17 o   91.593   9.4082   87.234   17.145 1.878700 18.81648 
1 1 1   16    6   18 o   53.468   13.353   29.961   17.749 -5.816372 26.70522 
1 1 1   16    6   19 f  205.468   4.9272  424.303   20.230 9.829880 9.854309 
1 1 1   16    6   20 o   26.333   9.1922 -54.5648   17.501 -7.033178 18.38445 
1 1 1   16    6   21 o   84.989   10.300   77.653   16.949 -18.81758 20.59900 
1 1 1   16    6   22 o   78.818   11.371   66.587   17.634 -28.38356 22.74231 
1 1 1   16    6   23 f  102.630   9.2709  109.746   18.942 -11.62192 18.54177 
1 1 1   16    6   24 o   34.892   10.390  -2.7307   14.291 12.21171 20.78005 
1 1 1   16    6   25 o   79.329   10.435   56.515   15.002 -38.95113 20.86914 
1 1 1   16    6   26 f   38.400   11.750   2.2890   15.270 -7.454235 23.50066 
1 1 1   16    6   27 o   62.246   12.670   41.682   15.873 -9.666988 25.33971 
1 1 1   16    6   28 o   74.111   9.3183   58.200   13.450 11.80342 18.63653 
1 1 1   16    6   29 o   66.022   9.7759   48.212   12.506 -8.031818 19.55188 
1 1 1   16    7    1 o  183.452   6.5904  338.388   24.180      ?      ? 
1 1 1   16    7    2 f  218.202   5.9615  478.283   26.016      ?      ? 
1 1 1   16    7    3 o  174.902   6.2004  307.452   21.689      ?      ? 
1 1 1   16    7    4 o  196.709   4.2496  387.173   16.682 -15.68735 8.499142 
1 1 1   16    7    5 o   89.088   7.9711   81.065   14.155 6.389565 15.94227 
1 1 1   16    7    7 o  134.497   5.5210  182.581   14.845 2.421143 11.04208 
1 1 1   16    7    8 o  190.784   6.0508  365.942   23.088      ?      ? 
1 1 1   16    7   10 o  133.897   8.4527  181.850   22.636      ?      ? 
1 1 1   16    7   11 o   99.033   9.5806  123.154   16.092 105.5506 19.16123 
1 1 1   16    7   12 o  337.595   4.2663  963.030   26.307 140.2493 8.532505 
1 1 1   16    7   13 o  172.120   4.6830  298.515   16.044 17.82663 9.366023 
1 1 1   16    7   14 o   35.428   15.170   1.3306   19.180      ?      ? 
1 1 1   16    7   15 o   78.165   9.8131   64.524   14.941 5.995361 19.62621 
1 1 1   16    7   16 o  121.140   7.0112  150.905   16.844 10.98385 14.02241 
1 1 1   16    7   17 o   29.273   9.9892 -33.7378   17.448 -1.802698 19.97843 
1 1 1   16    7   18 o  129.484   7.3137  172.311   18.666 21.01292 14.62736 
1 1 1   16    7   19 o  150.111   6.4469  233.536   18.784 38.92255 12.89380 
1 1 1   16    7   20 o   28.279   9.6962 -39.6978   16.834 -8.158899 19.39246 
1 1 1   16    7   21 o   28.623   9.7656 -37.2196   17.253 4.682121 19.53114 
1 1 1   16    7   22 o   97.490   10.275  102.322   17.541 -79.04276 20.54944 
1 1 1   16    7   23 o   30.958   10.371 -41.4185   18.827 13.78794 20.74181 
1 1 1   16    7   24 o   48.970   13.332   19.896   18.782 7.219944 26.66370 
1 1 1   16    7   25 o   53.411   12.310   31.809   14.959 8.248585 24.61914 
1 1 1   16    7   26 o   36.351   11.425  -3.2119   15.183 -9.330194 22.84974 
1 1 1   16    7   27 o   36.375   11.304  -2.4536   15.953 2.832886 22.60770 
1 1 1   16    7   28 o  101.531   8.1616  103.356   15.860 -9.570564 16.32325 
1 1 1   16    7   29 o   49.042   12.343   27.278   16.663 -20.46507 24.68661 
1 1 1   16    8    1 f  198.145   6.2766  394.791   24.874      ?      ? 
1 1 1   16    8    2 f  191.709   6.3201  369.613   24.232      ?      ? 
1 1 1   16    8    3 f  177.693   6.0449  317.420   21.483      ?      ? 
1 1 1   16    8    4 o  197.731   6.2623  393.224   24.765      ?      ? 
1 1 1   16    8    5 o  167.264   7.0275  281.804   23.509      ?      ? 
1 1 1   16    8    6 o  165.140   6.5504  274.424   21.634      ?      ? 
1 1 1   16    8    7 o  220.512   5.9852  488.835   26.396      ?      ? 
1 1 1   16    8    8 o  232.303   5.9508  542.692   27.648      ?      ? 
1 1 1   16    8    9 f  146.286   7.5104  216.396   21.973      ?      ? 
1 1 1   16    8   10 o  183.483   5.3037  339.076   18.231 87.52103 10.60734 
1 1 1   16    8   11 o  325.899   5.8508  1064.70   38.136      ?      ? 
1 1 1   16    8   12 o  268.998   3.9852  725.108   21.437 -5.974823 7.970310 
1 1 1   16    8   13 o   45.835   11.419   15.715   14.718 22.09766 22.83803 
1 1 1   16    8   14 o   67.755   11.127   49.502   14.852 14.61283 22.25482 
1 1 1   16    8   15 o   29.061   13.935 -30.6301   23.197      ?      ? 
1 1 1   16    8   16 o   28.637   9.7224 -33.7515   16.101 7.792067 19.44481 
1 1 1   16    8   17 f   31.134   10.201 -39.0817   16.902 19.94280 20.40148 
1 1 1   16    8   18 f  121.252   7.3180  149.234   17.505 -24.90574 14.63602 
1 1 1   16    8   19 o  135.310   6.6591  187.387   18.008 -1.596268 13.31821 
1 1 1   16    8   20 o  102.025   8.6306  110.106   17.340 16.22625 17.26114 
1 1 1   16    8   21 o   43.123   12.370   8.8936   16.976 -9.907291 24.73964 
1 1 1   16    8   22 o   43.949   12.383   7.1989   17.463 -17.26959 24.76608 
1 1 1   16    8   23 o   60.829   13.607   41.461   18.640 5.607357 27.21332 
1 1 1   16    8   24 o   39.390   12.211  -1.6940   18.492 1.644207 24.42163 
1 1 1   16    8   25 o   32.826   10.207  -8.6917   14.514 10.14998 20.41386 
1 1 1   16    8   26 o   45.567   12.291   17.430   14.853 -6.606869 24.58177 
1 1 1   16    8   27 o  101.517   8.5517  111.121   16.211 12.22004 17.10340 
1 1 1   16    8   28 o  112.286   7.3878  124.283   15.838 -15.00710 14.77552 
1 1 1   16    9    0 o  130.676   8.1009  172.410   21.172      ?      ? 
1 1 1   16    9    2 f  197.209   6.0415  391.002   23.829      ?      ? 
1 1 1   16    9    3 f  216.262   4.0696  469.673   17.568 -2.055023 8.139217 
1 1 1   16    9    5 o   60.826   10.965   40.787   14.066 23.43958 21.92954 
1 1 1   16    9    7 o   76.093   14.591   61.791   21.414      ?      ? 
1 1 1   16    9    8 o  111.860   7.1894  125.153   15.787 -30.37031 14.37883 
1 1 1   16    9    9 o   73.100   17.335   58.123   24.992      ?      ? 
1 1 1   16    9   10 o  419.388   6.7302  1764.57   56.451      ?      ? 
1 1 1   16    9   11 o  359.084   4.4094  1245.96   31.006 -63.92117 8.818782 
1 1 1   16    9   12 o   72.308   11.321   56.630   15.995 -12.72093 22.64117 
1 1 1   16    9   13 f  119.950   6.5696  146.744   15.756 -3.981178 13.13927 
1 1 1   16    9   14 o   86.867   12.746   77.910   22.143      ?      ? 
1 1 1   16    9   15 o   84.471   9.9601   74.834   16.431 9.876930 19.92011 
1 1 1   16    9   16 o   92.426   13.063   91.745   24.147      ?      ? 
1 1 1   16    9   17 o  210.806   4.7118  444.566   19.771 -29.12437 9.423685 
1 1 1   16    9   18 o  188.324   4.9970  357.156   18.814 6.950195 9.994082 
1 1 1   16    9   19 o  136.617   6.3547  190.000   17.313 14.28233 12.70941 
1 1 1   16    9   20 o   51.929   12.763   26.328   16.844 15.57841 25.52650 
1 1 1   16    9   21 o  123.391   7.2387  156.707   17.262 -41.02274 14.47732 
1 1 1   16    9   22 o   38.266   11.875  -1.6080   17.536 -3.622334 23.74965 
1 1 1   16    9   23 o   50.319   13.302   23.202   18.089 3.047894 26.60376 
1 1 1   16    9   24 o   43.193   12.737   8.1766   18.356 3.001881 25.47409 
1 1 1   16    9   25 o   69.938   11.247   55.148   14.582 7.272888 22.49463 
1 1 1   16    9   26 o   58.656   12.283   39.024   15.167 5.066139 24.56664 
1 1 1   16    9   27 o   81.102   10.162   66.652   15.687 -16.93790 20.32363 
1 1 1   16    9   28 o   64.104   11.769   42.350   14.245 -16.18699 23.53801 
1 1 1   16   10    0 o  270.744   5.6077  736.422   30.365      ?      ? 
1 1 1   16   10    1 o  236.808   5.7836  563.547   27.392      ?      ? 
1 1 1   16   10    2 o  266.130   5.6228  711.578   29.928      ?      ? 
1 1 1   16   10    3 o  211.822   5.8621  451.010   24.834      ?      ? 
1 1 1   16   10    4 o  182.672   5.6723  335.368   20.723      ?      ? 
1 1 1   16   10    5 o  104.721   10.147  111.581   21.253      ?      ? 
1 1 1   16   10    7 o   91.875   8.8233   88.213   15.127 -36.01905 17.64658 
1 1 1   16   10    8 o  137.404   8.8702  190.561   24.376      ?      ? 
1 1 1   16   10    9 o  359.635   4.3246  1295.27   31.086 17.51764 8.649214 
1 1 1   16   10   10 o  274.873   4.2510  751.378   23.267 -23.47672 8.502065 
1 1 1   16   10   11 o  134.563   9.1472  183.868   24.617      ?      ? 
1 1 1   16   10   12 o   34.862   10.948  -5.2987   15.217 -0.1215172 21.89511 
1 1 1   16   10   13 o   80.669   9.8270   69.167   15.302 8.574707 19.65399 
1 1 1   16   10   14 o  178.311   6.7070  320.911   23.919      ?      ? 
1 1 1   16   10   15 o   57.535   11.788   36.489   16.439 30.05444 23.57577 
1 1 1   16   10   16 o   38.199   11.671  -1.6317   16.309 -6.498119 23.34249 
1 1 1   16   10   17 o  120.224   7.1566  144.383   17.020 -25.07977 14.31311 
1 1 1   16   10   18 o   36.736   16.188  -3.1455   23.097      ?      ? 
1 1 1   16   10   19 o   36.689   11.516  -4.8726   16.909 2.289257 23.03214 
1 1 1   16   10   20 o   88.389   9.7154   81.721   17.167 -3.495605 19.43072 
1 1 1   16   10   21 o  158.032   5.8484  255.078   18.309 -25.93501 11.69688 
1 1 1   16   10   22 o   46.941   12.329   12.467   17.966 -24.59975 24.65720 
1 1 1   16   10   23 o   58.431   13.315   37.019   17.985 13.34003 26.62934 
1 1 1   16   10   24 o   55.141   13.175   30.921   17.861 17.34148 26.35078 
1 1 1   16   10   25 o   73.900   10.856   65.658   14.992 25.43691 21.71123 
1 1 1   16   10   26 o   37.395   11.239   1.2318   15.435 7.893776 22.47717 
1 1 1   16   10   27 o   87.422   9.4684   81.699   15.155 5.164322 18.93678 
1 1 1   16   10   28 o   29.874   14.015  -7.2651   21.313      ?      ? 
1 1 1   16   11    0 o  166.957   6.3567  280.746   21.226      ?      ? 
1 1 1   16   11    1 o  181.442   6.4897  331.688   23.550      ?      ? 
1 1 1   16   11    3 o  138.766   5.3278  198.418   14.481 18.26595 10.65561 
1 1 1   16   11    5 f   31.230   10.099 -12.3587   14.215 1.302078 20.19714 
1 1 1   16   11    7 o  303.571   5.9354  923.982   36.036      ?      ? 
1 1 1   16   11    8 o  258.546   5.5234  669.651   28.561      ?      ? 
1 1 1   16   11    9 o  169.682   7.9995  289.483   27.147      ?      ? 
1 1 1   16   11   10 o   59.202   8.8947   30.163   16.459 63.94910 17.78944 
1 1 1   16   11   11 o  202.956   4.4896  413.842   18.070 -6.415527 8.979106 
1 1 1   16   11   12 o  181.655   6.2134  332.487   22.574      ?      ? 
1 1 1   16   11   13 o  116.177   6.7505  135.984   15.542 -9.083275 13.50092 
1 1 1   16   11   14 f   44.906   12.093   15.907   15.650 9.830585 24.18531 
1 1 1   16   11   15 o   26.723   12.957 -34.2012   21.664      ?      ? 
1 1 1   16   11   16 o  152.019   6.1920  226.741   17.303 -84.23088 12.38391 
1 1 1   16   11   17 o   38.533   11.175  -5.2533   16.239 21.04746 22.35099 
1 1 1   16   11   18 o  106.204   7.9092  116.777   16.784 -0.5749741 15.81850 
1 1 1   16   11   19 o  107.422   7.9703  119.056   17.086 -7.479790 15.94062 
1 1 1   16   11   20 o  125.439   7.1465  158.779   17.779 -22.84581 14.29309 
1 1 1   16   11   21 f   32.836   10.868 -23.4176   18.337 6.702879 21.73557 
1 1 1   16   11   22 o   93.553   10.562   94.395   19.264 8.513603 21.12482 
1 1 1   16   11   23 o   52.832   13.714   27.396   19.076 3.164600 27.42700 
1 1 1   16   11   24 o   38.448   12.012  -3.2306   18.240 -3.979317 24.02419 
1 1 1   16   11   25 o   64.947   11.814   45.694   14.901 -8.411129 23.62733 
1 1 1   16   11   26 f   86.882   9.7003   80.180   15.589 2.223701 19.40054 
1 1 1   16   11   27 o   69.727   11.207   46.965   14.453 -28.43996 22.41367 
1 1 1   16   12    0 o  380.327   4.3509  1448.90   33.022 28.32022 8.701880 
1 1 1   16   12    2 o  239.005   5.8778  574.039   28.096      ?      ? 
1 1 1   16   12    4 o  259.917   3.8810  672.346   19.978 -12.93114 7.761953 
1 1 1   16   12    6 o  288.984   4.0326  704.594   21.189 -115.5737 8.065118 
1 1 1   16   12    8 o   96.038   8.4643   88.450   15.738 -29.97189 16.92856 
1 1 1   16   12    9 o  144.473   9.0355  213.495   26.108      ?      ? 
1 1 1   16   12   10 o  241.667   4.1328  578.096   19.634 -20.82423 8.265676 
1 1 1   16   12   11 o  124.994   6.2863  155.077   15.449 -14.98742 12.57263 
1 1 1   16   12   13 o  131.351   6.1941  178.609   16.050 19.63589 12.38818 
1 1 1   16   12   14 o   56.634   12.258   34.188   16.040 20.10904 24.51568 
1 1 1   16   12   15 f  123.100   9.5999  152.803   23.635      ?      ? 
1 1 1   16   12   16 o  130.607   9.1921  173.745   24.011      ?      ? 
1 1 1   16   12   17 o   35.153   11.179  -8.5377   16.523 -2.833477 22.35747 
1 1 1   16   12   18 o   97.009   8.9665   99.224   17.289 9.829376 17.93308 
1 1 1   16   12   19 o  152.486   5.9445  233.129   17.952 -30.09784 11.88904 
1 1 1   16   12   20 o   37.382   11.743  -4.9110   17.622 -1.335606 23.48629 
1 1 1   16   12   21 o   72.298   12.736   59.126   18.464 11.20534 25.47218 
1 1 1   16   12   22 o   50.064   13.177   19.686   18.987 19.25798 26.35378 
1 1 1   16   12   23 o   40.917   12.124  -4.6329   18.715 20.29728 24.24762 
1 1 1   16   12   24 o   84.243   11.475   78.433   18.856 -21.57631 22.95096 
1 1 1   16   12   25 o   82.369   11.622   75.619   18.353 -0.4637070 23.24468 
1 1 1   16   12   26 o  136.898   6.9322  190.307   18.740 -7.298080 13.86442 
1 1 1   16   12   27 o   98.977   10.559  109.413   20.902      ?      ? 
1 1 1   16   13    0 o  248.802   5.7031  620.202   28.379      ?      ? 
1 1 1   16   13    1 o  284.511   4.0093  809.559   22.794 13.15958 8.018686 
1 1 1   16   13    3 o  210.436   5.2940  443.595   22.281      ?      ? 
1 1 1   16   13    4 o  286.955   5.7802  825.401   33.173      ?      ? 
1 1 1   16   13    5 o  151.953   6.3721  231.853   19.365      ?      ? 
1 1 1   16   13    6 f  103.675   11.444  110.174   23.729      ?      ? 
1 1 1   16   13    8 o  154.735   5.0773  243.401   15.541 6.605560 10.15466 
1 1 1   16   13    9 o  163.150   7.3418  268.951   23.956      ?      ? 
1 1 1   16   13   10 o  131.276   5.8988  173.815   15.378 -6.189819 11.79765 
1 1 1   16   13   11 o  145.795   5.5207  213.438   15.996 -10.31561 11.04140 
1 1 1   16   13   12 o   91.043   11.757   87.071   21.407      ?      ? 
1 1 1   16   13   13 o  139.092   6.0306  197.848   16.658 12.41367 12.06118 
1 1 1   16   13   14 o  219.781   4.6532  447.298   19.203 -108.1785 9.306485 
1 1 1   16   13   15 o  151.649   5.7433  234.412   17.200 29.87546 11.48668 
1 1 1   16   13   16 o   61.486   17.663   42.291   22.873      ?      ? 
1 1 1   16   13   17 o   30.520   14.390 -22.9683   23.140      ?      ? 
1 1 1   16   13   18 o   85.134   10.574   77.313   17.544 5.142273 21.14752 
1 1 1   16   13   19 o  107.713   8.5551  122.218   18.110 15.59637 17.11019 
1 1 1   16   13   20 o   51.495   13.370   25.735   18.179 3.618526 26.73937 
1 1 1   16   13   21 o  117.911   8.0873  145.849   18.899 13.36446 16.17463 
1 1 1   16   13   22 o   56.678   13.764   34.334   18.904 -5.572701 27.52792 
1 1 1   16   13   23 o   52.158   13.300   24.140   19.001 -20.94898 26.59938 
1 1 1   16   13   24 o   60.666   18.891   41.633   25.352      ?      ? 
1 1 1   16   13   25 f  119.840   7.7472  148.505   18.491 5.281456 15.49449 
1 1 1   16   13   26 o  100.501   10.192  107.764   20.451 7.995201 20.38414 
1 1 1   16   14    0 o  204.576   4.3681  420.120   17.835 18.06535 8.736260 
1 1 1   16   14    1 o  131.212   8.4846  174.600   22.266      ?      ? 
1 1 1   16   14    2 o  114.627   9.2530  133.902   21.213      ?      ? 
1 1 1   16   14    3 o  115.646   6.2977  139.949   14.180 19.76416 12.59540 
1 1 1   16   14    5 o  266.277   3.9934  715.867   21.224 13.63727 7.986745 
1 1 1   16   14    7 o  209.723   5.8376  442.748   24.486      ?      ? 
1 1 1   16   14    8 o  125.868   6.2200  164.546   15.301 23.07684 12.43996 
1 1 1   16   14   10 o   70.223   10.757   56.289   14.926 26.12116 21.51376 
1 1 1   16   14   11 o  113.541   7.1052  134.519   16.009 -3.274529 14.21047 
1 1 1   16   14   12 o  153.609   7.1730  237.622   22.037      ?      ? 
1 1 1   16   14   13 f  201.164   4.5184  403.194   18.037 -11.53618 9.036839 
1 1 1   16   14   14 o   32.783   10.305 -17.7582   15.506 15.24105 20.60961 
1 1 1   16   14   15 o   55.193   12.695   31.748   16.229 -12.68413 25.39039 
1 1 1   16   14   16 f  136.133   8.8820  189.839   24.183      ?      ? 
1 1 1   16   14   17 o  182.822   7.0505  338.006   25.780      ?      ? 
1 1 1   16   14   18 o   58.820   13.278   37.626   17.767 6.388134 26.55529 
1 1 1   16   14   19 f   52.142   18.396   28.270   23.959      ?      ? 
1 1 1   16   14   20 o  190.837   7.1171  369.688   27.164      ?      ? 
1 1 1   16   14   21 o   49.908   13.354   22.273   18.618 6.689812 26.70752 
1 1 1   16   14   22 o   92.756   10.445   92.783   18.884 -13.96111 20.89051 
1 1 1   16   14   23 o  131.596   7.1830  180.268   18.711 12.48276 14.36604 
1 1 1   16   14   24 f  115.713   7.7958  138.264   17.913 -1.906311 15.59166 
1 1 1   16   14   25 o   97.813   10.256  100.708   19.962 13.85472 20.51163 
1 1 1   16   15    0 o  155.542   6.4924  243.912   20.197      ?      ? 
1 1 1   16   15    1 o  236.952   5.3410  564.568   25.311      ?      ? 
1 1 1   16   15    2 o  356.578   5.7671  1279.60   41.128      ?      ? 
1 1 1   16   15    4 o  338.776   5.9510  1155.74   40.321      ?      ? 
1 1 1   16   15    7 o  136.504   8.7533  189.270   23.897      ?      ? 
1 1 1   16   15    8 o   86.641   11.131   77.345   19.288      ?      ? 
1 1 1   16   15    9 o   35.590   16.185  -8.9181   25.248      ?      ? 
1 1 1   16   15   10 o   36.094   10.757  -5.9342   15.672 14.87765 21.51346 
1 1 1   16   15   11 o  199.369   5.8730  398.763   23.418      ?      ? 
1 1 1   16   15   12 o  115.984   8.8278  135.883   20.478      ?      ? 
1 1 1   16   15   13 o   72.681   18.102   59.841   26.245      ?      ? 
1 1 1   16   15   14 o  143.863   6.0013  212.044   17.027 4.292679 12.00261 
1 1 1   16   15   15 o   36.027   11.347 -10.2502   16.832 -12.37488 22.69472 
1 1 1   16   15   16 o  208.677   4.7947  439.490   19.841 -1.131989 9.589487 
1 1 1   16   15   17 o   92.670   12.514   89.015   23.193      ?      ? 
1 1 1   16   15   18 o   32.733   10.869 -24.6839   17.660 -10.78006 21.73710 
1 1 1   16   15   19 o   60.135   17.976   40.431   23.271      ?      ? 
1 1 1   16   15   20 o   47.721   13.104   18.499   18.148 5.562897 26.20763 
1 1 1   16   15   21 o   71.779   12.855   60.064   18.571 10.78358 25.71062 
1 1 1   16   15   22 o  125.429   7.4342  161.661   18.497 -6.426270 14.86842 
1 1 1   16   15   23 o   64.440   12.995   45.806   17.345 -12.14168 25.99092 
1 1 1   16   15   24 o   95.709   9.9347  100.350   17.425 13.58319 19.86950 
1 1 1   16   15   25 o   53.233   13.445   33.505   17.899 -4.260715 26.88902 
1 1 1   16   16    0 o  158.586   6.0701  253.420   19.253      ?      ? 
1 1 1   16   16    1 o  180.525   5.6323  328.038   20.335      ?      ? 
1 1 1   16   16    2 o  187.577   5.5972  354.124   20.998      ?      ? 
1 1 1   16   16    3 o  189.221   4.3285  357.063   16.155 -11.11726 8.657022 
1 1 1   16   16    6 o  158.122   7.9343  255.698   25.092      ?      ? 
1 1 1   16   16    8 o  107.858   12.293  119.679   26.518      ?      ? 
1 1 1   16   16    9 o  227.129   6.9359  518.268   31.507      ?      ? 
1 1 1   16   16   10 o  283.148   6.8723  805.813   38.918      ?      ? 
1 1 1   16   16   11 o   31.004   14.195 -12.3819   19.985      ?      ? 
1 1 1   16   16   12 o   56.376   20.071   32.794   28.578      ?      ? 
1 1 1   16   16   13 f   31.172   10.403 -23.3363   16.843 -2.698448 20.80685 
1 1 1   16   16   14 o   36.878   11.602  -5.4656   16.952 -5.016647 23.20381 
1 1 1   16   16   15 o  107.968   8.3338  124.007   17.325 21.24876 16.66763 
1 1 1   16   16   16 o   80.203   15.067   69.953   23.278      ?      ? 
1 1 1   16   16   17 f   80.653   15.669   72.093   24.373      ?      ? 
1 1 1   16   16   18 o  109.171   11.231  123.568   24.521      ?      ? 
1 1 1   16   16   19 o   41.810   12.506   4.7508   18.375 5.198750 25.01112 
1 1 1   16   16   20 o   46.361   13.028   15.551   18.502 7.567181 26.05626 
1 1 1   16   16   21 o  119.086   7.7915  146.363   18.385 -5.684296 15.58303 
1 1 1   16   16   22 o   35.312   11.388 -11.6138   17.654 -3.467846 22.77589 
1 1 1   16   16   23 o   83.063   13.532   72.206   22.480      ?      ? 
1 1 1   16   16   24 o   38.081   11.788   0.2872   16.634 -2.232784 23.57606 
1 1 1   16   17    0 f  129.860   6.9085  172.368   17.943      ?      ? 
1 1 1   16   17    1 o  116.156   7.9984  138.950   18.581      ?      ? 
1 1 1   16   17    2 o  211.339   5.5120  453.090   23.298      ?      ? 
1 1 1   16   17    3 o  109.103   9.0163  123.219   19.674      ?      ? 
1 1 1   16   17    4 f   49.590   12.352   24.962   15.348 5.789600 24.70389 
1 1 1   16   17    7 o  252.813   6.5885  641.680   33.313      ?      ? 
1 1 1   16   17    8 o  133.034   10.517  179.426   27.982      ?      ? 
1 1 1   16   17   11 o  203.516   7.7122  421.266   31.391      ?      ? 
1 1 1   16   17   12 f   40.699   17.826  -1.0347   27.652      ?      ? 
1 1 1   16   17   13 o   69.244   19.158   54.026   27.410      ?      ? 
1 1 1   16   17   14 f   80.458   14.881   69.446   23.045      ?      ? 
1 1 1   16   17   15 o   39.377   16.794   3.5800   23.344      ?      ? 
1 1 1   16   17   16 f  100.221   12.161  104.804   24.375      ?      ? 
1 1 1   16   17   17 o  143.034   8.7523  209.317   25.037      ?      ? 
1 1 1   16   17   18 o   49.270   18.437   22.481   24.478      ?      ? 
1 1 1   16   17   19 o  119.326   8.1067  151.646   18.917 20.34701 16.21344 
1 1 1   16   17   20 o   72.987   12.761   60.307   18.521 -11.44986 25.52253 
1 1 1   16   17   21 o   45.141   12.661   13.893   17.739 9.453278 25.32242 
1 1 1   16   17   22 o  104.847   8.7917  117.790   17.786 19.35316 17.58350 
1 1 1   16   17   23 o   72.014   15.858   57.963   22.224      ?      ? 
1 1 1   16   18    0 f  218.600   5.3285  479.088   23.296      ?      ? 
1 1 1   16   18    1 o  146.445   6.6043  215.309   19.343      ?      ? 
1 1 1   16   18    2 o  179.384   5.8919  322.807   21.138      ?      ? 
1 1 1   16   18    3 o  161.169   6.6013  260.843   21.279      ?      ? 
1 1 1   16   18    4 o  214.524   5.7988  461.924   24.880      ?      ? 
1 1 1   16   18    5 o  141.904   7.4382  203.038   21.110      ?      ? 
1 1 1   16   18   10 o   42.329   18.153   3.7353   27.536      ?      ? 
1 1 1   16   18   11 o  103.221   13.932  111.981   28.762      ?      ? 
1 1 1   16   18   15 o   59.534   18.124   39.294   23.511      ?      ? 
1 1 1   16   18   17 o   92.457   13.141   89.973   24.300      ?      ? 
1 1 1   16   18   18 o   52.802   18.671   29.315   24.692      ?      ? 
1 1 1   16   18   19 o   49.256   18.554   22.450   24.871      ?      ? 
1 1 1   16   18   20 o   47.451   12.880   19.017   17.614 7.800941 25.75909 
1 1 1   16   18   21 f  135.489   6.6355  186.613   17.804 -5.098785 13.27094 
1 1 1   16   18   22 o   69.199   15.772   53.387   21.351      ?      ? 
1 1 1   16   19    0 o  129.289   7.5415  169.898   19.501      ?      ? 
1 1 1   16   19    1 o  216.522   5.3841  472.743   23.316      ?      ? 
1 1 1   16   19    2 o  125.373   6.1032  156.592   14.978 -14.26996 12.20637 
1 1 1   16   19    3 o  137.017   5.6894  191.451   15.325 1.325485 11.37880 
1 1 1   16   19    4 o  160.886   5.1411  260.986   16.378 -6.834244 10.28227 
1 1 1   16   19    5 o   95.048   10.775   93.282   20.483      ?      ? 
1 1 1   16   19    8 o   26.843   13.221 -50.2279   25.261      ?      ? 
1 1 1   16   19   15 o  129.158   9.3581  171.335   24.173      ?      ? 
1 1 1   16   19   17 o   92.974   12.958   91.604   24.096      ?      ? 
1 1 1   16   19   18 o   64.376   17.532   46.962   23.178      ?      ? 
1 1 1   16   19   19 o  104.564   10.769  113.440   22.521      ?      ? 
1 1 1   16   19   20 f  110.892   7.8463  126.292   17.025 -1.559151 15.69254 
1 1 1   16   19   21 o  118.255   7.3906  142.121   17.163 -10.43201 14.78114 
1 1 1   16   20    0 o   74.695   9.7064   60.019   13.880 -6.276878 19.41288 
1 1 1   16   20    1 o  158.009   4.9598  257.698   15.385 19.60532 9.919529 
1 1 1   16   20    2 o   91.910   10.309   87.246   18.950      ?      ? 
1 1 1   16   20    3 o  155.969   5.1410  246.481   15.934 -3.486877 10.28200 
1 1 1   16   20    4 o  154.580   5.1751  241.553   15.926 -6.935852 10.35023 
1 1 1   16   20    5 o  213.977   4.2671  459.367   18.174 -13.24356 8.534294 
1 1 1   16   20    6 o  204.097   4.4150  418.330   17.915 -8.452393 8.830088 
1 1 1   16   20    7 f  171.215   7.6215  296.619   26.098      ?      ? 
1 1 1   16   20    8 o  111.941   11.380  128.565   25.477      ?      ? 
1 1 1   16   20   14 o  147.296   8.3696  221.582   24.656      ?      ? 
1 1 1   16   20   16 o  126.751   9.9776  166.193   25.293      ?      ? 
1 1 1   16   20   17 o   71.351   16.414   57.057   22.950      ?      ? 
1 1 1   16   20   19 o  102.001   10.789  107.144   22.009      ?      ? 
1 1 1   16   20   20 o   49.038   17.897   23.994   22.846      ?      ? 
1 1 1   16   21    0 o  175.872   4.4989  304.479   15.634 -28.73711 8.997853 
1 1 1   16   21    1 o  166.304   4.6787  274.307   15.415 -20.30185 9.357432 
1 1 1   16   21    2 o  176.933   5.9125  315.207   20.922      ?      ? 
1 1 1   16   21    3 o  134.346   7.2084  182.342   19.368      ?      ? 
1 1 1   16   21    4 o  116.003   8.5483  136.612   19.833      ?      ? 
1 1 1   16   21    5 o  190.126   4.5714  365.513   17.199 1.749237 9.142741 
1 1 1   16   21    6 o  143.588   5.8463  217.369   16.218 28.83157 11.69255 
1 1 1   16   21    7 f  145.730   5.7576  220.212   16.382 10.15938 11.51520 
1 1 1   16   21    8 o  140.762   9.1565  203.405   25.778      ?      ? 
1 1 1   16   21    9 o   70.131   17.704   55.318   24.850      ?      ? 
1 1 1   16   21   10 o   84.735   15.385   78.734   25.112      ?      ? 
1 1 1   16   21   11 o  144.998   8.9707  215.537   26.015      ?      ? 
1 1 1   16   21   14 o   84.375   15.151   78.816   24.638      ?      ? 
1 1 1   16   21   18 o  109.858   9.6196  123.689   21.136      ?      ? 
1 1 1   16   21   19 o   89.678   11.841   86.424   21.238      ?      ? 
1 1 1   16   22    0 f   70.912   12.743   54.525   17.415      ?      ? 
1 1 1   16   22    1 o   78.246   11.432   64.031   17.890      ?      ? 
1 1 1   16   22    2 o  116.431   7.9719  138.492   18.563      ?      ? 
1 1 1   16   22    3 o   86.556   10.578   77.594   18.312      ?      ? 
1 1 1   16   22    4 o  145.292   6.8557  213.995   19.922      ?      ? 
1 1 1   16   22    5 o  278.096   5.4820  779.724   30.490      ?      ? 
1 1 1   16   22    6 o  236.439   5.6516  563.980   26.725      ?      ? 
1 1 1   16   22    7 f  222.411   4.3216  497.986   19.082 -7.602707 8.643278 
1 1 1   16   22    8 o  131.345   6.2274  178.571   16.066 9.238129 12.45487 
1 1 1   16   22    9 o   82.876   15.022   75.241   23.984      ?      ? 
1 1 1   16   22   10 o   75.427   16.267   63.516   23.840      ?      ? 
1 1 1   16   22   11 o   70.953   16.994   57.140   23.834      ?      ? 
1 1 1   16   22   12 o   50.909   18.257   26.654   23.685      ?      ? 
1 1 1   16   22   13 o  115.043   7.3368  136.605   16.864 -5.043808 14.67368 
1 1 1   16   22   14 o   90.769   13.474   87.198   24.461      ?      ? 
1 1 1   16   22   18 o   27.233   13.118   36.467   21.153      ?      ? 
1 1 1   16   23    0 f  167.017   5.9255  282.009   19.793      ?      ? 
1 1 1   16   23    1 o   98.071   9.1124   98.679   17.873      ?      ? 
1 1 1   16   23    2 o  118.282   7.8415  142.607   18.550      ?      ? 
1 1 1   16   23    3 o  140.933   6.8401  201.535   19.280      ?      ? 
1 1 1   16   23    4 o  147.085   6.6035  219.266   19.426      ?      ? 
1 1 1   16   23    5 o  188.942   5.6759  360.496   21.448      ?      ? 
1 1 1   16   23    6 o  187.626   5.9153  355.774   22.197      ?      ? 
1 1 1   16   23    7 o  171.258   6.4368  297.094   22.047      ?      ? 
1 1 1   16   23    8 o  163.039   5.2889  271.116   17.032 1.896988 10.57788 
1 1 1   16   23    9 o   44.065   17.763   13.425   24.113      ?      ? 
1 1 1   16   23   10 o   87.915   13.845   82.368   24.343      ?      ? 
1 1 1   16   23   11 o  106.812   11.579  118.821   24.736      ?      ? 
1 1 1   16   23   12 o   52.902   18.615   29.251   24.519      ?      ? 
1 1 1   16   23   13 o   87.410   9.4242   79.264   16.308 -8.297295 18.84846 
1 1 1   16   23   14 o  130.681   9.9973  175.115   26.129      ?      ? 
1 1 1   16   23   15 o  101.479   12.480  107.511   25.329      ?      ? 
1 1 1   16   23   16 o   45.432   18.176   19.055   24.979      ?      ? 
1 1 1   16   24    0 f  128.304   7.0281  167.287   18.035      ?      ? 
1 1 1   16   24    1 o  136.648   6.6737  189.459   18.239      ?      ? 
1 1 1   16   24    2 o  159.050   5.9752  255.971   19.007      ?      ? 
1 1 1   16   24    3 o  150.476   6.3833  229.559   19.211      ?      ? 
1 1 1   16   24    4 o  117.003   8.0329  139.974   18.797      ?      ? 
1 1 1   16   24    5 o  169.167   6.0522  289.904   20.477      ?      ? 
1 1 1   16   24    6 o   89.476   10.359   83.080   18.538      ?      ? 
1 1 1   16   24    7 o  109.760   8.9242  123.627   19.590      ?      ? 
1 1 1   16   24    8 o  184.702   4.7653  344.901   17.438 -3.626862 9.530639 
1 1 1   16   24   12 o  123.252   8.1081  154.457   19.987      ?      ? 
1 1 1   16   24   14 o   49.468   18.831   25.338   25.838      ?      ? 
1 1 1   16   25    0 f  126.055   7.2108  161.451   18.179      ?      ? 
1 1 1   16   25    1 o  172.446   5.7257  300.388   19.747      ?      ? 
1 1 1   16   25    2 o  186.692   5.4854  351.772   20.482      ?      ? 
1 1 1   16   25    3 o  227.758   5.1270  522.959   23.354      ?      ? 
1 1 1   16   25    4 o  166.693   5.9075  280.924   19.695      ?      ? 
1 1 1   16   25    5 o  118.291   7.8279  142.711   18.519      ?      ? 
1 1 1   16   25    6 o  107.205   8.6355  117.721   18.515      ?      ? 
1 1 1   16   25    7 o   99.728   9.1774  101.972   18.305      ?      ? 
1 1 1   16   25    8 o  178.152   5.9372  320.360   21.154      ?      ? 
1 1 1   16   26    0 o  183.769   5.3133  340.219   19.528      ?      ? 
1 1 1   16   26    1 f  175.569   5.5118  310.703   19.354      ?      ? 
1 1 1   16   26    2 o  161.932   5.6341  264.379   18.247      ?      ? 
1 1 1   16   26    3 o  126.459   6.7206  161.767   16.998      ?      ? 
1 1 1   16   26    4 o  136.668   6.3447  188.692   17.342      ?      ? 
1 1 1   16   26    5 o  130.807   6.5118  172.975   17.036      ?      ? 
1 1 1   16   26    6 o  116.033   7.2267  136.528   16.771      ?      ? 
1 1 1   16   26    7 o  139.334   6.2285  196.356   17.357      ?      ? 
1 1 1   16   26    8 o  173.326   5.2039  303.455   18.039      ?      ? 
1 1 1   16   26    9 o  134.124   6.4517  186.437   17.306      ?      ? 
1 1 1   16   27    0 o  171.015   4.7788  295.314   16.345      ?      ? 
1 1 1   16   27    1 o  132.175   5.3670  176.877   14.188      ?      ? 
1 1 1   16   27    2 o  155.662   4.9982  245.181   15.560      ?      ? 
1 1 1   16   27    3 o  127.703   5.5707  166.096   14.228      ?      ? 
1 1 1   16   27    4 o  130.726   5.5374  176.281   14.478      ?      ? 
1 1 1   17    0    2 o  134.350   7.7081  183.055   20.569 -0.000000 0.000000 
1 1 1   17    0    4 o  114.048   8.8622  133.175   19.974 -0.000000 0.000000 
1 1 1   17    0    5 o   85.906   11.902   76.735   20.017 -0.000000 0.000000 
1 1 1   17    0    8 o  329.612   5.9870  1090.26   39.439 -0.000000 0.000000 
1 1 1   17    0    9 o  384.220   6.3260  1479.52   48.582 -0.000000 0.000000 
1 1 1   17    0   11 o   30.925   19.573   5.7923   25.350 -0.000000 0.000000 
1 1 1   17    0   12 o  163.945   7.9420  272.861   25.911 -0.000000 0.000000 
1 1 1   17    0   14 o   41.003   21.810   25.866   23.920 -0.000000 0.000000 
1 1 1   17    0   15 o  174.272   7.9569  308.219   27.609 -0.000000 0.000000 
1 1 1   17    0   16 o   26.393   17.924 -10.0539   27.294 -0.000000 0.000000 
1 1 1   17    0   17 o  199.790   7.4222  401.857   29.568 -0.000000 0.000000 
1 1 1   17    0   18 o   19.332   13.997 -39.2885   25.584 -0.000000 0.000000 
1 1 1   17    0   20 o   31.840   20.012   8.1642   26.002 -0.000000 0.000000 
1 1 1   17    0   21 f  164.377   8.9940  274.967   29.382 -0.000000 0.000000 
1 1 1   17    0   24 o   36.807   22.153   17.478   28.850 -0.000000 0.000000 
1 1 1   17    0   25 o  144.569   10.257  215.849   29.356 -0.000000 0.000000 
1 1 1   17    0   26 o   33.698   20.618   13.103   25.924 -0.000000 0.000000 
1 1 1   17    0   27 o  129.337   10.196  172.557   26.052 -0.000000 0.000000 
1 1 1   17    0   28 o   22.615   15.504  -7.2128   21.265 -0.000000 0.000000 
1 1 1   17    1    2 o  242.073   3.8823  588.191   18.788 5.795670 7.764645 
1 1 1   17    1    3 o  243.201   3.8877  593.710   18.898 4.740311 7.775316 
1 1 1   17    1    4 o  244.531   5.6641  600.909   27.701      ?      ? 
1 1 1   17    1    6 o   30.962   14.179 -12.8314   19.951      ?      ? 
1 1 1   17    1    7 o  137.653   6.0940  192.945   16.623 -3.099899 12.18800 
1 1 1   17    1    8 o  163.902   8.2992  271.103   27.205      ?      ? 
1 1 1   17    1    9 o  322.883   4.4044  963.098   27.298 -109.9963 8.808873 
1 1 1   17    1   10 o  232.543   6.1761  542.067   28.724      ?      ? 
1 1 1   17    1   11 o   28.227   13.808 -48.1795   26.067      ?      ? 
1 1 1   17    1   12 o  157.818   5.5843  252.848   17.551 0.9521942 11.16859 
1 1 1   17    1   13 o   94.174   11.806   91.080   22.236      ?      ? 
1 1 1   17    1   14 o   60.549   12.326   39.539   16.250 -17.23286 24.65251 
1 1 1   17    1   15 o  279.687   4.3650  790.169   24.407 -8.548767 8.730097 
1 1 1   17    1   16 o  162.247   8.5337  267.391   27.691      ?      ? 
1 1 1   17    1   17 o  284.692   4.4588  811.811   25.359 -14.23035 8.917701 
1 1 1   17    1   18 o   86.502   10.891   81.205   18.317 -15.57522 21.78247 
1 1 1   17    1   19 o   93.096   13.310   91.240   24.782      ?      ? 
1 1 1   17    1   20 o   55.697   13.469   32.393   18.083 2.015480 26.93730 
1 1 1   17    1   21 o  146.090   9.4384  217.648   27.577      ?      ? 
1 1 1   17    1   22 f   68.114   19.554   53.550   28.042      ?      ? 
1 1 1   17    1   23 o   32.339   15.438 -31.1329   27.691      ?      ? 
1 1 1   17    1   24 o   56.100   20.167   32.720   28.914      ?      ? 
1 1 1   17    1   25 o   51.411   19.653   24.540   28.239      ?      ? 
1 1 1   17    1   26 o   40.000   17.262   2.0073   25.190      ?      ? 
1 1 1   17    1   27 o  124.053   10.331  158.117   25.633      ?      ? 
1 1 1   17    1   28 o   40.529   16.609   15.702   21.491      ?      ? 
1 1 1   17    2    2 o  259.458   3.9204  674.940   20.297 7.084076 7.840863 
1 1 1   17    2    4 f  162.120   6.5139  264.593   21.121      ?      ? 
1 1 1   17    2    5 f   65.057   11.195   47.279   14.895 -22.77025 22.38968 
1 1 1   17    2    6 o   82.814   14.880   73.577   23.750      ?      ? 
1 1 1   17    2    8 o  201.631   4.8151  406.782   19.256 6.739471 9.630295 
1 1 1   17    2   10 o  252.202   4.5618  634.741   22.770 -50.71609 9.123610 
1 1 1   17    2   11 o   28.617   9.8172 -46.4722   17.509 11.03876 19.63435 
1 1 1   17    2   12 o   41.213   17.265   5.6816   23.937      ?      ? 
1 1 1   17    2   13 o   78.259   14.215   65.444   21.428      ?      ? 
1 1 1   17    2   14 o  147.421   7.9530  220.171   23.449      ?      ? 
1 1 1   17    2   15 o   74.358   11.772   62.659   17.105 9.941582 23.54401 
1 1 1   17    2   17 o  243.213   4.8313  579.275   22.925 76.13994 9.662541 
1 1 1   17    2   18 o  109.324   12.179  124.662   26.628      ?      ? 
1 1 1   17    2   19 o  111.391   11.712  129.239   26.092      ?      ? 
1 1 1   17    2   20 o  139.924   6.9761  200.219   19.447 16.68198 13.95218 
1 1 1   17    2   21 o   39.422   12.263  -6.8285   19.149 9.954548 24.52523 
1 1 1   17    2   22 o   33.649   15.809 -24.7683   27.443      ?      ? 
1 1 1   17    2   23 o  131.759   11.113  180.332   29.283      ?      ? 
1 1 1   17    2   24 o  131.375   11.471  179.824   30.139      ?      ? 
1 1 1   17    2   26 o   69.130   18.912   55.170   26.896      ?      ? 
1 1 1   17    2   27 o  101.641   13.086  107.913   26.602      ?      ? 
1 1 1   17    2   28 o   62.220   13.292   63.355   18.036 6.994961 26.58320 
1 1 1   17    3    3 o  134.281   7.7305  182.013   20.761      ?      ? 
1 1 1   17    3    4 o  156.414   5.0321  245.914   15.711 8.175171 10.06415 
1 1 1   17    3    5 o  201.803   6.3980  410.404   25.823      ?      ? 
1 1 1   17    3    6 o  197.339   4.5711  389.484   17.960 19.10406 9.142225 
1 1 1   17    3    7 o  243.533   4.4438  571.539   20.955 -86.21660 8.887513 
1 1 1   17    3    9 o  352.926   6.0799  1248.26   42.915      ?      ? 
1 1 1   17    3   10 f  302.396   6.3976  917.670   38.692      ?      ? 
1 1 1   17    3   11 o   57.150   13.150   35.320   17.550 -9.476612 26.29910 
1 1 1   17    3   12 o   47.981   12.298   20.021   15.953 -12.62181 24.59559 
1 1 1   17    3   13 o   35.380   11.062  -5.8910   15.657 -3.643536 22.12398 
1 1 1   17    3   14 o   30.973   10.273 -21.6101   16.148 -0.8551216 20.54629 
1 1 1   17    3   15 o   28.168   9.7653 -46.2779   18.616 4.075298 19.53057 
1 1 1   17    3   17 o  233.023   5.0980  540.952   23.580 18.67493 10.19602 
1 1 1   17    3   18 o   78.183   18.405   69.375   28.334      ?      ? 
1 1 1   17    3   19 f   81.841   16.878   74.992   26.683      ?      ? 
1 1 1   17    3   20 o  168.598   6.0279  288.840   20.323 4.022293 12.05581 
1 1 1   17    3   21 o  154.564   6.5504  244.633   20.237 5.749191 13.10080 
1 1 1   17    3   22 o   35.695   16.451 -16.9475   27.345      ?      ? 
1 1 1   17    3   24 o   66.901   20.126   51.998   29.110      ?      ? 
1 1 1   17    3   25 o  100.780   14.345  108.316   28.913      ?      ? 
1 1 1   17    3   26 f   72.402   18.813   60.304   27.486      ?      ? 
1 1 1   17    3   27 o   99.099   9.4488  103.042   18.618 13.44934 18.89761 
1 1 1   17    4    1 o  296.852   5.5860  885.613   33.164      ?      ? 
1 1 1   17    4    3 o   98.952   7.4700   99.933   14.680 15.05428 14.94008 
1 1 1   17    4    4 o  133.025   8.1552  179.190   21.697      ?      ? 
1 1 1   17    4    5 o  292.080   4.0782  855.456   23.771 19.75122 8.156374 
1 1 1   17    4    6 o  212.706   6.3656  455.935   27.080      ?      ? 
1 1 1   17    4    7 o  114.366   10.304  132.340   23.569      ?      ? 
1 1 1   17    4    8 o  183.475   6.5737  337.579   24.122      ?      ? 
1 1 1   17    4   10 o  156.931   5.9531  246.768   18.595 21.16681 11.90618 
1 1 1   17    4   11 o   76.029   16.592   64.253   24.531      ?      ? 
1 1 1   17    4   12 o  180.208   4.7672  327.414   17.175 3.254074 9.534312 
1 1 1   17    4   13 o   67.046   17.035   49.478   22.896      ?      ? 
1 1 1   17    4   14 o   60.136   17.374   39.557   22.068      ?      ? 
1 1 1   17    4   15 o   30.159   14.704 -43.7158   28.798      ?      ? 
1 1 1   17    4   16 o  270.423   4.9249  726.192   25.762 -95.65659 9.849801 
1 1 1   17    4   18 o   74.150   18.350   62.312   27.100      ?      ? 
1 1 1   17    4   19 o   41.404   17.695   3.8472   26.008      ?      ? 
1 1 1   17    4   20 o  120.892   7.8154  149.798   18.894 2.564621 15.63088 
1 1 1   17    4   23 o  113.179   12.661  134.411   28.659      ?      ? 
1 1 1   17    4   24 f   88.197   16.909   87.427   28.762      ?      ? 
1 1 1   17    4   26 o   43.949   18.156   9.8987   25.904      ?      ? 
1 1 1   17    4   27 o   93.127   10.082   92.385   18.087 -22.29433 20.16390 
1 1 1   17    5    2 o  149.505   7.1414  225.684   21.354      ?      ? 
1 1 1   17    5    3 o  147.100   7.2735  218.707   21.399      ?      ? 
1 1 1   17    5    4 o  126.653   8.3506  162.788   21.153      ?      ? 
1 1 1   17    5    5 o   48.048   10.409   13.155   15.404 38.73105 20.81760 
1 1 1   17    5    6 o  146.484   7.5845  216.060   22.220      ?      ? 
1 1 1   17    5    7 o  256.543   4.0680  659.351   20.865 -9.976242 8.136093 
1 1 1   17    5    8 o  262.066   5.8903  688.181   30.873      ?      ? 
1 1 1   17    5    9 o  182.697   6.7460  335.142   24.649      ?      ? 
1 1 1   17    5   11 o   67.790   11.620   50.454   15.609 4.068756 23.23946 
1 1 1   17    5   12 o  122.386   8.9143  152.137   21.820      ?      ? 
1 1 1   17    5   13 o   87.224   9.3667   80.494   15.747 15.70293 18.73331 
1 1 1   17    5   14 o   36.568   16.171  -4.0705   23.328      ?      ? 
1 1 1   17    5   15 o  172.124   7.9231  300.802   27.275      ?      ? 
1 1 1   17    5   16 o  210.327   5.3371  448.452   21.361 -85.44908 10.67428 
1 1 1   17    5   17 o   22.833   11.617 -99.2031   27.695      ?      ? 
1 1 1   17    5   18 o   63.440   12.839   45.124   18.152 -23.45346 25.67758 
1 1 1   17    5   19 o  134.221   7.0602  185.246   18.945 4.881195 14.12035 
1 1 1   17    5   20 o  135.198   7.1738  185.913   19.346 -13.86685 14.34752 
1 1 1   17    5   21 o   60.147   19.400   41.527   26.512      ?      ? 
1 1 1   17    5   22 o   64.415   19.275   46.976   26.746      ?      ? 
1 1 1   17    5   24 o   41.828   18.251   1.0797   28.757      ?      ? 
1 1 1   17    5   25 o   47.908   18.967   17.769   26.925      ?      ? 
1 1 1   17    5   26 o   68.888   18.540   53.620   26.111      ?      ? 
1 1 1   17    5   27 o   75.738   12.319   64.552   18.275 -8.404312 24.63808 
1 1 1   17    6    2 o  187.931   6.0255  355.878   22.648      ?      ? 
1 1 1   17    6    3 o  218.960   5.7013  482.490   24.967      ?      ? 
1 1 1   17    6    4 o   64.213   11.045   44.560   14.087 7.011509 22.08969 
1 1 1   17    6    5 o   56.377   16.216   33.449   19.267      ?      ? 
1 1 1   17    6    6 o  212.875   5.8943  454.259   25.095      ?      ? 
1 1 1   17    6    7 o  327.922   5.7790  1077.42   37.901      ?      ? 
1 1 1   17    6    8 f  169.368   5.5899  285.119   17.090 -101.2214 11.17979 
1 1 1   17    6    9 o  191.883   4.9491  354.765   18.086 -83.84250 9.898296 
1 1 1   17    6   10 o  114.494   10.249  134.662   23.468      ?      ? 
1 1 1   17    6   11 o  100.883   10.673  103.997   21.534      ?      ? 
1 1 1   17    6   12 o   66.371   11.013   48.192   15.263 28.62738 22.02640 
1 1 1   17    6   13 o   47.512   17.491   20.189   21.863      ?      ? 
1 1 1   17    6   14 o   36.143   10.544 -24.5670   17.044 28.70875 21.08829 
1 1 1   17    6   15 o  130.927   9.6484  173.284   25.265      ?      ? 
1 1 1   17    6   17 f   45.553   13.049   13.106   18.488 2.253750 26.09729 
1 1 1   17    6   18 o   76.435   12.174   65.999   18.269 -15.87196 24.34745 
1 1 1   17    6   19 o   51.927   18.775   25.906   25.092      ?      ? 
1 1 1   17    6   20 o   52.981   19.240   26.731   26.376      ?      ? 
1 1 1   17    6   21 o   38.928   12.171  -9.7107   19.137 -14.25994 24.34131 
1 1 1   17    6   22 o   43.733   18.515   6.6541   28.012      ?      ? 
1 1 1   17    6   23 o  101.480   10.122  109.486   20.540 -1.026917 20.24373 
1 1 1   17    6   24 o   95.713   15.416   99.285   29.511      ?      ? 
1 1 1   17    6   25 o   71.161   18.276   58.119   26.144      ?      ? 
1 1 1   17    6   26 o  134.125   9.6236  184.134   25.815      ?      ? 
1 1 1   17    6   27 o   47.829   18.251   21.740   24.318      ?      ? 
1 1 1   17    7    2 o  122.165   8.7992  150.676   21.499      ?      ? 
1 1 1   17    7    3 o  117.825   8.7039  139.884   20.511      ?      ? 
1 1 1   17    7    4 o  178.445   4.9728  299.436   15.911 -113.7895 9.945502 
1 1 1   17    7    5 o  197.178   5.7834  389.599   22.807      ?      ? 
1 1 1   17    7    6 o  216.958   5.6373  471.597   24.461      ?      ? 
1 1 1   17    7    7 f  150.428   7.2027  227.249   21.670      ?      ? 
1 1 1   17    7    8 f   54.871   11.979   31.918   14.456 1.581799 23.95888 
1 1 1   17    7    9 o   93.119   10.860   89.503   20.226      ?      ? 
1 1 1   17    7   10 o   80.825   12.172   67.215   19.676      ?      ? 
1 1 1   17    7   11 f  157.449   6.9340  250.353   21.835      ?      ? 
1 1 1   17    7   12 o  167.226   4.9150  282.408   16.430 -0.2452087 9.829984 
1 1 1   17    7   13 o  106.634   8.1025  122.311   16.555 32.51313 16.20501 
1 1 1   17    7   14 o   34.595   15.695 -10.7413   23.451      ?      ? 
1 1 1   17    7   15 o  347.140   6.4150  1209.59   44.538      ?      ? 
1 1 1   17    7   16 f   57.667   12.423   33.088   18.318 32.15870 24.84510 
1 1 1   17    7   17 o   60.871   18.564   41.382   24.653      ?      ? 
1 1 1   17    7   18 o   32.528   15.231 -20.5048   24.734      ?      ? 
1 1 1   17    7   19 o  130.527   7.5634  174.358   19.161 -42.08301 15.12671 
1 1 1   17    7   20 o   24.910   12.534 -79.4735   27.989      ?      ? 
1 1 1   17    7   21 o   51.651   13.710   24.045   19.220 -5.929783 27.42059 
1 1 1   17    7   22 o   46.233   13.036   12.850   19.026 12.64794 26.07261 
1 1 1   17    7   23 o   83.119   17.552   78.335   28.273      ?      ? 
1 1 1   17    7   24 o   76.857   18.629   67.990   28.379      ?      ? 
1 1 1   17    7   25 o   47.629   13.045   16.909   18.548 12.88694 26.09037 
1 1 1   17    7   26 o  131.936   9.8148  178.458   25.899      ?      ? 
1 1 1   17    7   27 f   54.593   18.646   47.141   24.463      ?      ? 
1 1 1   17    8    0 o  307.133   5.6853  945.355   34.923      ?      ? 
1 1 1   17    8    2 o  376.598   6.1582  1421.66   46.384      ?      ? 
1 1 1   17    8    4 o  361.273   6.0306  1307.99   43.574      ?      ? 
1 1 1   17    8    6 o  147.194   7.8592  218.100   23.137      ?      ? 
1 1 1   17    8    8 o   95.052   11.009   93.261   20.928      ?      ? 
1 1 1   17    8   11 o   47.733   11.947   20.930   14.374 9.240845 23.89448 
1 1 1   17    8   12 o   66.429   16.703   48.975   22.186      ?      ? 
1 1 1   17    8   13 o  122.407   6.8965  155.362   16.649 27.66801 13.79308 
1 1 1   17    8   14 o  205.989   5.0174  412.332   19.587 -93.57036 10.03482 
1 1 1   17    8   17 o   79.896   11.418   70.882   17.606 1.608765 22.83564 
1 1 1   17    8   18 o  140.050   6.8027  201.507   18.965 13.35411 13.60532 
1 1 1   17    8   19 o  117.104   8.3248  142.844   19.226 18.90968 16.64959 
1 1 1   17    8   20 o   40.437   17.487   2.1182   25.954      ?      ? 
1 1 1   17    8   22 o   84.810   16.661   80.056   27.254      ?      ? 
1 1 1   17    8   23 o   54.893   19.661   31.925   27.460      ?      ? 
1 1 1   17    8   25 o   86.340   11.272   80.702   19.043 9.193428 22.54479 
1 1 1   17    8   26 o  112.324   8.5470  131.540   19.148 -11.09095 17.09399 
1 1 1   17    9    2 o  281.630   5.7261  795.040   32.253      ?      ? 
1 1 1   17    9    4 o   97.598   11.248   96.679   21.956      ?      ? 
1 1 1   17    9    6 o   40.062   16.791   5.7125   22.658      ?      ? 
1 1 1   17    9    7 o  110.705   10.054  125.440   22.261      ?      ? 
1 1 1   17    9    9 o  148.878   7.9055  224.488   23.539      ?      ? 
1 1 1   17    9   11 o  123.404   6.4175  155.325   15.831 1.591278 12.83509 
1 1 1   17    9   12 o   28.435   9.6121 -30.8798   15.894 -8.845541 19.22420 
1 1 1   17    9   13 o  163.804   7.6857  270.239   25.179      ?      ? 
1 1 1   17    9   14 o  202.179   6.8796  410.862   27.818      ?      ? 
1 1 1   17    9   15 o   68.420   12.139   52.357   17.351 27.85824 24.27752 
1 1 1   17    9   16 f  120.841   10.558  150.682   25.516      ?      ? 
1 1 1   17    9   17 f   39.976   17.353   0.3699   25.737      ?      ? 
1 1 1   17    9   19 o   65.038   13.304   48.750   18.373 6.863796 26.60716 
1 1 1   17    9   20 o  144.940   9.5098  215.270   27.567      ?      ? 
1 1 1   17    9   21 o  102.387   12.877  110.275   26.369      ?      ? 
1 1 1   17    9   22 o   36.658   16.612  -9.8589   26.195      ?      ? 
1 1 1   17    9   23 o   71.609   13.314   59.443   19.326 -3.690559 26.62766 
1 1 1   17    9   24 o  103.433   13.320  113.197   27.555      ?      ? 
1 1 1   17    9   25 o  112.378   11.941  130.866   26.839      ?      ? 
1 1 1   17    9   26 o   39.978   16.950   6.4007   23.533      ?      ? 
1 1 1   17   10    0 f   35.871   15.553  -1.1523   20.631      ?      ? 
1 1 1   17   10    1 o   35.211   15.688  -6.8026   22.455      ?      ? 
1 1 1   17   10    4 o   85.621   12.757   76.598   21.846      ?      ? 
1 1 1   17   10    6 o  279.337   5.8557  785.526   32.715      ?      ? 
1 1 1   17   10    7 o  179.328   6.8274  324.517   24.487      ?      ? 
1 1 1   17   10    9 o   78.426   14.733   66.081   22.258      ?      ? 
1 1 1   17   10   10 o  314.442   5.9300  997.589   37.293      ?      ? 
1 1 1   17   10   11 o   32.654   14.825  -7.5912   20.990      ?      ? 
1 1 1   17   10   12 o   91.709   9.1109   87.078   16.466 11.01382 18.22189 
1 1 1   17   10   13 o  127.275   7.3051  171.572   17.418 50.88141 14.61022 
1 1 1   17   10   15 o  107.204   11.787  119.384   25.272      ?      ? 
1 1 1   17   10   16 f   54.683   12.872   29.866   18.043 -22.75837 25.74432 
1 1 1   17   10   17 o  214.758   6.9010  466.132   29.641      ?      ? 
1 1 1   17   10   18 f  134.036   7.2853  185.845   19.299 -22.03517 14.57066 
1 1 1   17   10   19 o  191.762   7.8070  375.001   29.942      ?      ? 
1 1 1   17   10   23 o   92.488   13.957   90.676   25.817      ?      ? 
1 1 1   17   10   24 o   77.366   11.581   67.158   17.753 27.47474 23.16154 
1 1 1   17   10   25 o  114.545   8.0677  136.774   18.351 9.791679 16.13530 
1 1 1   17   11    0 o  158.892   6.7500  254.941   21.450      ?      ? 
1 1 1   17   11    1 o  251.321   5.7335  636.064   28.819      ?      ? 
1 1 1   17   11    4 o  173.993   6.9733  305.561   24.266      ?      ? 
1 1 1   17   11    6 o  187.796   6.6544  355.953   24.993      ?      ? 
1 1 1   17   11    7 o  117.137   9.5231  139.799   22.310      ?      ? 
1 1 1   17   11    9 o   57.119   17.002   36.537   20.847      ?      ? 
1 1 1   17   11   10 o   96.110   11.614   97.319   22.325      ?      ? 
1 1 1   17   11   12 o  174.327   5.1166  306.986   17.752 14.24963 10.23318 
1 1 1   17   11   13 o   97.854   9.3752  105.151   16.857 35.32043 18.75040 
1 1 1   17   11   18 o   30.090   10.314 -39.8139   19.304 1.748325 20.62717 
1 1 1   17   11   19 o  123.947   8.1581  159.123   20.201 -8.207687 16.31617 
1 1 1   17   11   20 o   36.887   16.790 -12.1209   27.314      ?      ? 
1 1 1   17   11   21 o   57.112   19.574   35.609   26.959      ?      ? 
1 1 1   17   11   22 o   49.348   19.060   21.387   26.749      ?      ? 
1 1 1   17   11   24 o  123.918   10.025  157.479   24.845      ?      ? 
1 1 1   17   11   25 o   49.496   17.737   25.585   22.352      ?      ? 
1 1 1   17   12    0 o  199.621   5.5522  401.011   22.167      ?      ? 
1 1 1   17   12    1 o  128.792   7.3795  167.734   19.008      ?      ? 
1 1 1   17   12    6 o   46.233   17.056   18.927   20.799      ?      ? 
1 1 1   17   12    8 o   84.502   12.112   76.371   20.469      ?      ? 
1 1 1   17   12    9 o  163.282   7.1693  269.490   23.412      ?      ? 
1 1 1   17   12   10 o  147.987   7.8723  220.298   23.300      ?      ? 
1 1 1   17   12   13 f  149.852   5.8881  228.927   17.632 0.5769348 11.77620 
1 1 1   17   12   14 o  118.041   10.788  144.345   25.469      ?      ? 
1 1 1   17   12   18 o   52.663   19.586   26.138   27.540      ?      ? 
1 1 1   17   12   23 o   74.679   16.677   62.030   24.272      ?      ? 
1 1 1   17   12   24 o  142.481   6.8001  210.509   18.995 9.356216 13.60019 
1 1 1   17   13    0 o  281.637   5.2787  797.830   29.733      ?      ? 
1 1 1   17   13    1 o  293.416   5.3527  866.114   31.411      ?      ? 
1 1 1   17   13    6 o   26.462   12.882 -33.7972   21.803      ?      ? 
1 1 1   17   13    9 o  244.570   5.9748  600.162   29.225      ?      ? 
1 1 1   17   13   10 o  118.616   9.9752  143.041   23.664      ?      ? 
1 1 1   17   13   13 o   24.563   12.270 -63.9454   24.991      ?      ? 
1 1 1   17   13   14 o   78.848   16.695   68.670   25.522      ?      ? 
1 1 1   17   13   15 o  129.073   10.286  170.072   26.553      ?      ? 
1 1 1   17   13   18 o   62.778   19.525   44.837   27.091      ?      ? 
1 1 1   17   13   21 o  112.897   12.369  133.501   27.929      ?      ? 
1 1 1   17   13   22 o   96.447   14.722   99.254   28.398      ?      ? 
1 1 1   17   13   23 o  117.567   8.2691  144.466   19.210 10.18333 16.53814 
1 1 1   17   13   24 o   77.494   20.190   77.597   31.603      ?      ? 
1 1 1   17   14    0 o   70.177   13.617   54.837   18.430      ?      ? 
1 1 1   17   14    1 o   46.980   15.945   23.970   17.889      ?      ? 
1 1 1   17   14    2 o   32.347   14.304  -2.7939   18.253      ?      ? 
1 1 1   17   14    5 o  186.350   7.6448  349.860   28.492      ?      ? 
1 1 1   17   14    8 f  175.391   7.4363  310.190   26.085      ?      ? 
1 1 1   17   14    9 o  158.712   7.8487  256.071   24.914      ?      ? 
1 1 1   17   14   12 o  189.391   6.7383  363.598   25.524      ?      ? 
1 1 1   17   14   13 o  162.028   8.7359  267.183   28.309      ?      ? 
1 1 1   17   14   14 o   98.438   9.4219  102.170   18.180 15.26569 18.84374 
1 1 1   17   14   15 o  105.766   8.8952  117.592   18.770 -6.492416 17.79042 
1 1 1   17   14   16 o   54.105   19.548   29.213   27.196      ?      ? 
1 1 1   17   14   17 f   81.289   11.854   74.162   18.592 5.133904 23.70829 
1 1 1   17   14   18 o   50.915   19.199   23.970   26.646      ?      ? 
1 1 1   17   14   19 o  109.949   12.351  127.242   27.158      ?      ? 
1 1 1   17   14   20 o   61.661   19.625   43.152   27.198      ?      ? 
1 1 1   17   14   21 o  173.626   8.7423  308.985   30.358      ?      ? 
1 1 1   17   14   23 o   92.473   21.499  102.461   39.043      ?      ? 
1 1 1   17   15    0 o  160.026   6.1243  256.960   19.601      ?      ? 
1 1 1   17   15    1 o  186.350   5.8642  348.355   21.856      ?      ? 
1 1 1   17   15    2 o  208.054   5.6701  434.128   23.594      ?      ? 
1 1 1   17   15    3 o  232.658   5.5041  542.825   25.611      ?      ? 
1 1 1   17   15    8 o  111.067   12.250  128.576   27.210      ?      ? 
1 1 1   17   15   12 o  140.392   8.2165  199.844   23.071      ?      ? 
1 1 1   17   15   14 o   35.353   16.299 -15.2177   26.868      ?      ? 
1 1 1   17   15   15 o  109.154   12.619  124.327   27.548      ?      ? 
1 1 1   17   15   16 f  105.488   13.013  117.149   27.455      ?      ? 
1 1 1   17   15   17 o   60.238   13.249   39.640   17.959 -14.78727 26.49722 
1 1 1   17   15   18 o   32.537   15.329 -24.4123   26.159      ?      ? 
1 1 1   17   15   19 o   44.474   18.487   10.083   27.120      ?      ? 
1 1 1   17   15   22 o  121.145   9.9541  151.155   24.118      ?      ? 
1 1 1   17   16    0 o  140.914   6.8417  200.894   19.282      ?      ? 
1 1 1   17   16    1 o   94.157   9.8056   90.806   18.465      ?      ? 
1 1 1   17   16    2 o   71.451   13.875   55.231   19.120      ?      ? 
1 1 1   17   16    3 o  127.699   7.6997  165.813   19.665      ?      ? 
1 1 1   17   16   14 o   80.577   17.288   72.513   27.057      ?      ? 
1 1 1   17   16   15 o  122.529   11.406  156.264   27.950      ?      ? 
1 1 1   17   16   16 o  185.784   7.9839  351.871   29.666      ?      ? 
1 1 1   17   16   18 o   51.525   19.409   25.152   27.215      ?      ? 
1 1 1   17   17    0 o  155.397   5.9910  244.002   18.620      ?      ? 
1 1 1   17   17    1 o  157.900   6.0826  252.011   19.209      ?      ? 
1 1 1   17   17    2 o  105.551   8.6394  113.863   18.238      ?      ? 
1 1 1   17   17    3 o   97.149   9.6984   97.059   18.844      ?      ? 
1 1 1   17   17    4 o  112.227   8.6800  128.879   19.483      ?      ? 
1 1 1   17   17   11 o   25.722   12.834 -66.1892   26.985      ?      ? 
1 1 1   17   17   21 o   30.417   14.400   1.8005   23.478      ?      ? 
1 1 1   17   18    0 o  158.966   6.3532  255.309   20.199      ?      ? 
1 1 1   17   18    1 o  147.175   6.8414  219.186   20.138      ?      ? 
1 1 1   17   18    2 o  200.475   5.8056  405.249   23.277      ?      ? 
1 1 1   17   18    3 f  152.775   6.9749  236.053   21.312      ?      ? 
1 1 1   17   18    4 o  157.931   6.7517  251.874   21.326      ?      ? 
1 1 1   17   18    5 o  126.640   7.9852  162.425   20.225      ?      ? 
1 1 1   17   18   16 o  175.711   7.7202  314.416   27.130      ?      ? 
1 1 1   17   19    0 o  186.275   5.7731  349.705   21.508      ?      ? 
1 1 1   17   19    1 o  117.040   8.1143  139.122   18.994      ?      ? 
1 1 1   17   19    2 o   99.518   9.8208  101.421   19.547      ?      ? 
1 1 1   17   19    3 o   36.749   15.616   2.6529   20.050      ?      ? 
1 1 1   17   19    4 o   75.283   13.561   61.573   19.673      ?      ? 
1 1 1   17   19    5 o   41.132   16.138   13.128   19.333      ?      ? 
1 1 1   17   19    6 o  102.814   9.6167  109.098   19.775      ?      ? 
1 1 1   17   20    0 o   69.217   13.348   51.785   17.818      ?      ? 
1 1 1   17   20    1 f  126.948   7.3220  163.602   18.590      ?      ? 
1 1 1   17   20    2 o  148.617   6.5250  223.479   19.394      ?      ? 
1 1 1   17   20    3 f  104.990   9.0709  112.700   19.047      ?      ? 
1 1 1   17   20    4 o  101.183   9.7618  105.051   19.755      ?      ? 
1 1 1   17   20    5 o  129.866   7.8419  171.618   20.368      ?      ? 
1 1 1   17   20    6 o   88.408   11.002   81.058   19.454      ?      ? 
1 1 1   17   21    0 o  201.639   5.4732  410.381   22.072      ?      ? 
1 1 1   17   21    1 o  286.680   5.2695  828.961   30.213      ?      ? 
1 1 1   17   21    2 o  142.294   6.7457  205.334   19.198      ?      ? 
1 1 1   17   21    3 f   88.176   10.451   80.358   18.430      ?      ? 
1 1 1   17   21    4 o  102.201   9.5107  107.320   19.440      ?      ? 
1 1 1   17   21    5 o  132.460   7.7691  178.674   20.582      ?      ? 
1 1 1   17   22    0 f  136.493   6.9279  189.328   18.912      ?      ? 
1 1 1   17   22    1 o   92.648   10.038   88.766   18.599      ?      ? 
1 1 1   17   22    2 o  122.782   7.8918  153.968   19.379      ?      ? 
1 1 1   17   22    3 o  106.994   8.9403  117.665   19.131      ?      ? 
1 1 1   17   22    4 o  181.574   5.9488  333.828   21.603      ?      ? 
1 1 1   17   22    5 o  149.580   7.0697  227.717   21.150      ?      ? 
1 1 1   17   23    0 o  172.693   5.9853  301.522   20.672      ?      ? 
1 1 1   17   23    1 o  137.077   7.0380  190.770   19.295      ?      ? 
1 1 1   17   23    2 o  196.098   5.7038  388.400   22.370      ?      ? 
1 1 1   17   23    3 o  255.815   5.3623  660.256   27.435      ?      ? 
1 1 1   17   23    4 o  279.864   5.3871  790.442   30.153      ?      ? 
1 1 1   17   23    5 o  145.714   7.1078  215.818   20.714      ?      ? 
1 1 1   17   23    6 o   95.132   10.844   93.950   20.632      ?      ? 
1 1 1   17   24    0 o  167.478   5.8676  283.080   19.654      ?      ? 
1 1 1   17   24    1 o  144.915   6.5893  212.445   19.098      ?      ? 
1 1 1   17   24    2 o  216.487   5.3096  472.152   22.989      ?      ? 
1 1 1   17   24    3 f  186.468   5.7295  350.652   21.367      ?      ? 
1 1 1   17   24    4 o  147.945   6.7701  221.431   20.032      ?      ? 
1 1 1   17   24    5 o  253.688   5.2571  648.124   26.673      ?      ? 
1 1 1   17   24    6 o  259.857   5.2028  680.093   27.040      ?      ? 
1 1 1   17   24    7 o  118.030   8.2126  141.988   19.387      ?      ? 
1 1 1   17   25    0 o   72.608   9.6330   54.404   13.989      ?      ? 
1 1 1   17   25    1 o  105.332   6.8635  112.760   14.459      ?      ? 
1 1 1   17   25    2 o   98.295   7.8627   98.798   15.457      ?      ? 
1 1 1   17   25    3 o  103.629   7.9560  110.193   16.489      ?      ? 
1 1 1   17   25    4 o  190.330   5.4056  367.959   20.577      ?      ? 
1 1 1   17   25    5 o  147.761   6.3564  227.643   18.784      ?      ? 
1 1 1   18    0    3 o  273.460   5.5545  751.960   30.351 -0.000000 0.000000 
1 1 1   18    0    5 o  239.331   5.6289  575.687   26.910 -0.000000 0.000000 
1 1 1   18    0    7 f  107.259   10.230  119.318   21.575 -0.000000 0.000000 
1 1 1   18    0    9 o  273.166   5.8148  749.803   31.736 -0.000000 0.000000 
1 1 1   18    0   11 o   69.139   20.146   61.585   24.158 -0.000000 0.000000 
1 1 1   18    0   13 o  190.850   7.3776  366.927   28.069 -0.000000 0.000000 
1 1 1   18    0   15 o   19.320   13.962 -35.7806   24.666 -0.000000 0.000000 
1 1 1   18    0   17 o  216.810   7.3969  474.466   31.993 -0.000000 0.000000 
1 1 1   18    0   18 o   39.155   22.674   21.904   28.359 -0.000000 0.000000 
1 1 1   18    0   21 o   43.396   23.754   29.825   29.036 -0.000000 0.000000 
1 1 1   18    0   22 o   20.762   15.010 -40.8405   28.659 -0.000000 0.000000 
1 1 1   18    0   23 o   35.821   21.583   16.271   27.451 -0.000000 0.000000 
1 1 1   18    0   24 o   52.488   23.865   42.630   26.928 -0.000000 0.000000 
1 1 1   18    1    2 o  211.114   4.1810  449.510   17.643 9.435699 8.361910 
1 1 1   18    1    4 o  115.821   6.5038  136.882   15.057 5.323799 13.00759 
1 1 1   18    1    6 o  101.118   7.5173  105.470   15.046 -12.95650 15.03452 
1 1 1   18    1    8 o  113.201   9.2698  130.471   20.987      ?      ? 
1 1 1   18    1    9 o  192.671   6.5346  374.496   25.181      ?      ? 
1 1 1   18    1   10 o  136.963   8.6137  191.777   23.595      ?      ? 
1 1 1   18    1   11 o  108.373   11.198  123.335   24.272      ?      ? 
1 1 1   18    1   12 o  157.779   8.2702  250.797   26.097      ?      ? 
1 1 1   18    1   13 f  176.650   7.5127  314.013   26.542      ?      ? 
1 1 1   18    1   14 o   38.013   16.822  -4.4920   25.309      ?      ? 
1 1 1   18    1   15 o  117.360   7.5748  141.843   17.749 -9.616936 15.14959 
1 1 1   18    1   17 o  134.987   7.4489  186.552   19.906 25.45425 14.89786 
1 1 1   18    1   18 o   60.940   13.864   39.799   19.653 15.18747 27.72738 
1 1 1   18    1   20 f   45.285   18.982   9.1230   28.966      ?      ? 
1 1 1   18    1   21 o   65.662   14.248   49.393   20.545 -5.705528 28.49572 
1 1 1   18    1   22 o   44.023   18.722   7.0353   28.862      ?      ? 
1 1 1   18    1   23 o   38.827   17.484  -8.6171   28.573      ?      ? 
1 1 1   18    1   24 f   45.439   18.968   9.2112   28.735      ?      ? 
1 1 1   18    1   25 o  131.354   11.174  178.668   29.356      ?      ? 
1 1 1   18    2    1 o   95.237   10.724   93.616   20.426      ?      ? 
1 1 1   18    2    3 o  180.651   4.6434  328.701   16.737 16.54578 9.286789 
1 1 1   18    2    6 o  157.061   7.3230  249.228   23.003      ?      ? 
1 1 1   18    2    8 o  118.706   8.9793  143.293   21.318      ?      ? 
1 1 1   18    2    9 o   61.246   11.665   41.087   14.831 12.96786 23.32997 
1 1 1   18    2   11 o  222.803   6.2944  502.634   28.048      ?      ? 
1 1 1   18    2   12 o  231.969   6.5475  540.377   30.376      ?      ? 
1 1 1   18    2   13 o  245.490   6.2129  605.562   30.504      ?      ? 
1 1 1   18    2   14 f   98.900   13.346  102.811   26.399      ?      ? 
1 1 1   18    2   15 o   65.396   17.883   48.275   24.055      ?      ? 
1 1 1   18    2   17 o  196.236   5.5096  389.727   21.619 4.717941 11.01916 
1 1 1   18    2   18 o   42.409   18.231   2.8976   27.890      ?      ? 
1 1 1   18    2   20 o   91.040   16.870   92.383   29.564      ?      ? 
1 1 1   18    2   21 o   89.103   16.876   88.482   28.982      ?      ? 
1 1 1   18    2   22 o   74.684   19.180   65.307   28.795      ?      ? 
1 1 1   18    2   23 o   61.959   20.181   43.336   28.656      ?      ? 
1 1 1   18    2   24 o  100.269   14.354  106.130   28.786      ?      ? 
1 1 1   18    2   25 o   99.821   14.537  105.829   29.021      ?      ? 
1 1 1   18    3    2 o  183.251   6.2579  339.195   22.936      ?      ? 
1 1 1   18    3    3 o  102.464   10.575  107.726   21.670      ?      ? 
1 1 1   18    3    4 o  133.990   8.0353  181.912   21.533      ?      ? 
1 1 1   18    3    5 f   88.649   11.974   80.750   21.230      ?      ? 
1 1 1   18    3    8 o   95.479   10.840   93.371   20.700      ?      ? 
1 1 1   18    3    9 f  114.821   9.4964  134.563   21.808      ?      ? 
1 1 1   18    3   11 o  188.378   5.0259  355.224   18.843 23.76117 10.05181 
1 1 1   18    3   13 o  177.934   5.6738  319.763   20.165 0.6708984 11.34756 
1 1 1   18    3   14 o   59.917   13.473   39.234   18.543 13.32455 26.94597 
1 1 1   18    3   15 o   81.948   16.521   74.631   26.128      ?      ? 
1 1 1   18    3   16 o   37.255   16.829  -9.7863   26.676      ?      ? 
1 1 1   18    3   17 o  150.131   6.8323  229.235   20.362 24.89909 13.66464 
1 1 1   18    3   19 o   77.927   18.726   68.933   28.865      ?      ? 
1 1 1   18    3   20 o   40.306   17.899  -4.7364   28.986      ?      ? 
1 1 1   18    3   21 o   37.298   16.996 -12.7853   28.159      ?      ? 
1 1 1   18    3   22 o   49.077   13.318   15.427   20.283 21.46049 26.63657 
1 1 1   18    3   23 o   49.906   13.937   20.159   20.538 1.376270 27.87485 
1 1 1   18    3   24 o   65.142   13.675   47.329   19.536 15.15350 27.35009 
1 1 1   18    3   25 o   71.777   13.016   59.084   18.781 1.007614 26.03108 
1 1 1   18    4    2 o  230.180   5.9038  533.767   27.179      ?      ? 
1 1 1   18    4    5 o  102.032   7.3158  105.893   14.901 7.701645 14.63167 
1 1 1   18    4    7 o   59.334   16.764   38.381   20.770      ?      ? 
1 1 1   18    4    8 o   66.068   17.000   47.976   22.589      ?      ? 
1 1 1   18    4    9 o   65.252   18.337   48.336   24.918      ?      ? 
1 1 1   18    4   10 o   28.644   13.722 -26.1955   22.359      ?      ? 
1 1 1   18    4   11 o  184.240   8.4593  342.573   31.171      ?      ? 
1 1 1   18    4   12 o  233.199   4.8850  553.063   22.350 -17.27521 9.770001 
1 1 1   18    4   13 o  219.832   6.7287  488.151   29.584      ?      ? 
1 1 1   18    4   14 o   59.098   19.578   38.163   26.969      ?      ? 
1 1 1   18    4   15 o   46.967   18.489   17.278   25.450      ?      ? 
1 1 1   18    4   16 o   60.433   12.672   37.478   18.675 32.57880 25.34370 
1 1 1   18    4   18 o   86.610   16.469   84.468   27.498      ?      ? 
1 1 1   18    4   20 f   36.153   16.632 -15.9200   27.798      ?      ? 
1 1 1   18    4   21 o   46.994   12.913   9.7299   19.749 -22.90115 25.82503 
1 1 1   18    4   22 o   62.654   20.108   45.102   28.509      ?      ? 
1 1 1   18    4   23 o   58.710   20.045   38.022   28.271      ?      ? 
1 1 1   18    4   24 o  111.679   12.391  129.595   27.677      ?      ? 
1 1 1   18    4   25 o   63.864   19.416   47.690   26.996      ?      ? 
1 1 1   18    5    2 o  213.106   6.0680  457.352   25.863      ?      ? 
1 1 1   18    5    3 o  153.100   6.9028  236.548   21.137      ?      ? 
1 1 1   18    5    5 o  159.692   7.1710  257.749   22.903      ?      ? 
1 1 1   18    5    6 o   86.616   12.212   77.377   21.155      ?      ? 
1 1 1   18    5    8 o   42.731   11.435   1.8871   16.159 27.76557 22.87013 
1 1 1   18    5    9 o   38.898   17.046   0.7745   25.313      ?      ? 
1 1 1   18    5   11 o  291.827   4.4352  848.778   25.730 17.63138 8.870398 
1 1 1   18    5   12 o  198.988   7.7144  398.994   30.701      ?      ? 
1 1 1   18    5   14 o  159.469   5.9480  258.946   18.940 12.80489 11.89594 
1 1 1   18    5   18 o   37.321   11.959 -16.5767   19.874 -12.98537 23.91806 
1 1 1   18    5   19 o  102.446   14.310  111.157   29.319      ?      ? 
1 1 1   18    5   20 o   43.179   13.034   4.8461   19.916 -0.2702827 26.06808 
1 1 1   18    5   21 o   64.308   19.977   47.923   28.373      ?      ? 
1 1 1   18    5   23 o   70.494   19.423   57.614   28.244      ?      ? 
1 1 1   18    5   24 o  156.811   6.5145  251.210   20.429 -2.763428 13.02900 
1 1 1   18    5   25 o   59.957   19.676   44.827   27.240      ?      ? 
1 1 1   18    6    1 o  210.966   5.4381  447.683   22.945      ?      ? 
1 1 1   18    6    4 o  105.963   9.4281  114.393   19.981      ?      ? 
1 1 1   18    6    5 o  184.594   6.3692  343.635   23.514      ?      ? 
1 1 1   18    6    7 o  160.929   7.4651  262.418   24.027      ?      ? 
1 1 1   18    6    8 o  104.209   11.176  114.102   23.294      ?      ? 
1 1 1   18    6    9 o   57.239   10.988   25.114   17.465 -50.31043 21.97500 
1 1 1   18    6   12 o  194.542   5.3989  382.367   20.669 47.21985 10.79783 
1 1 1   18    6   13 f   86.855   10.763   81.510   18.282 5.550186 21.52568 
1 1 1   18    6   15 o   61.516   18.888   42.267   25.463      ?      ? 
1 1 1   18    6   16 o  166.687   8.9843  282.287   29.951      ?      ? 
1 1 1   18    6   17 o   35.340   11.542 -20.1754   19.734 6.563095 23.08345 
1 1 1   18    6   18 o   64.873   20.512   47.695   29.748      ?      ? 
1 1 1   18    6   19 o   52.444   19.482   26.651   27.230      ?      ? 
1 1 1   18    6   21 o  119.013   12.256  149.203   29.173      ?      ? 
1 1 1   18    7    5 o  134.461   7.8244  183.143   21.041      ?      ? 
1 1 1   18    7    7 o  164.662   7.0048  276.790   23.068      ?      ? 
1 1 1   18    7   11 o   90.378   10.292   89.444   17.193 39.92606 20.58388 
1 1 1   18    7   13 o  163.513   7.8241  272.039   25.587      ?      ? 
1 1 1   18    7   14 o   86.546   10.689   80.677   17.747 -29.38376 21.37817 
1 1 1   18    7   15 o  103.686   13.170  111.737   27.312      ?      ? 
1 1 1   18    7   16 f   98.748   13.510  101.351   26.681      ?      ? 
1 1 1   18    7   20 o  105.709   13.402  118.211   28.333      ?      ? 
1 1 1   18    8    5 o  122.146   8.8586  153.326   21.641      ?      ? 
1 1 1   18    8    8 o  199.542   6.5791  400.180   26.256      ?      ? 
1 1 1   18    8   11 o   68.392   16.868   52.399   22.959      ?      ? 
1 1 1   18    8   12 f  132.464   6.3495  179.426   16.820 0.1822662 12.69903 
1 1 1   18    8   15 o  107.873   11.955  119.635   25.792      ?      ? 
1 1 1   18    8   17 o  102.910   13.989  111.857   28.792      ?      ? 
1 1 1   18    8   18 o   42.150   18.228   2.0788   28.201      ?      ? 
1 1 1   18    8   19 o   44.704   18.543   10.097   27.193      ?      ? 
1 1 1   18    8   20 o   40.100   17.510   0.2050   26.515      ?      ? 
1 1 1   18    8   21 o   43.739   18.308   8.4081   26.884      ?      ? 
1 1 1   18    8   22 o  138.248   10.335  197.579   28.576      ?      ? 
1 1 1   18    8   23 o  101.686   13.844  108.501   28.154      ?      ? 
1 1 1   18    9    5 f   30.688   14.526 -24.8449   23.886      ?      ? 
1 1 1   18    9    9 o  122.273   10.112  152.014   24.727      ?      ? 
1 1 1   18    9   13 o  148.884   8.3910  226.001   24.986      ?      ? 
1 1 1   18    9   14 o  165.487   5.6621  279.038   18.481 34.00693 11.32416 
1 1 1   18   10    0 o   49.578   16.464   25.774   19.071      ?      ? 
1 1 1   18   10    5 o  278.610   5.9802  778.941   33.323      ?      ? 
1 1 1   18   10   10 o   58.174   17.909   37.423   22.872      ?      ? 
1 1 1   18   10   15 o   51.786   19.545   26.154   27.637      ?      ? 
1 1 1   18   10   16 f   67.207   19.159   51.217   27.013      ?      ? 
1 1 1   18   10   17 o   74.462   18.136   63.325   26.797      ?      ? 
1 1 1   18   10   18 o   83.122   16.442   76.845   26.362      ?      ? 
1 1 1   18   10   19 o  157.365   8.6223  254.151   27.137      ?      ? 
1 1 1   18   10   20 o   49.797   18.670   23.083   25.124      ?      ? 
1 1 1   18   10   21 o   48.266   18.753   19.546   25.973      ?      ? 
1 1 1   18   10   22 f  122.423   10.926  154.462   26.752      ?      ? 
1 1 1   18   11    0 o  206.579   5.7223  428.038   23.642      ?      ? 
1 1 1   18   11    1 o  224.630   5.4808  505.979   24.623      ?      ? 
1 1 1   18   11   10 o  130.230   9.2327  174.073   24.047      ?      ? 
1 1 1   18   11   11 f  165.769   7.9158  279.518   26.244      ?      ? 
1 1 1   18   12    0 o  272.658   5.5743  747.338   30.398      ?      ? 
1 1 1   18   12    1 o  169.998   6.8055  291.286   23.138      ?      ? 
1 1 1   18   12   10 f   80.506   15.321   70.534   23.779      ?      ? 
1 1 1   18   12   11 o  135.623   9.4033  187.197   25.506      ?      ? 
1 1 1   18   13    0 o  121.180   8.2964  149.722   20.107      ?      ? 
1 1 1   18   13    1 o  126.200   8.3068  162.387   20.966      ?      ? 
1 1 1   18   13    2 o  201.990   5.8486  411.926   23.627      ?      ? 
1 1 1   18   13   11 o   46.528   18.549   15.355   25.913      ?      ? 
1 1 1   18   13   19 f   61.177   19.841   41.992   27.704      ?      ? 
1 1 1   18   14    0 o  172.592   6.2694  301.486   21.641      ?      ? 
1 1 1   18   14    1 o  160.019   6.4305  259.326   20.580      ?      ? 
1 1 1   18   14    2 o   90.305   10.604   84.387   19.151      ?      ? 
1 1 1   18   15    0 o  114.104   8.4348  132.413   19.249      ?      ? 
1 1 1   18   15    1 o  180.490   6.0653  328.624   21.895      ?      ? 
1 1 1   18   15    2 o  118.409   8.1034  142.336   19.190      ?      ? 
1 1 1   18   15    3 o   95.238   10.055   92.713   19.153      ?      ? 
1 1 1   18   16    0 o  134.688   7.4928  183.710   20.184      ?      ? 
1 1 1   18   16    1 f  107.278   9.0633  117.232   19.446      ?      ? 
1 1 1   18   16    2 o  161.865   6.5602  264.682   21.237      ?      ? 
1 1 1   18   16    3 o  159.714   6.5462  257.949   20.910      ?      ? 
1 1 1   18   16    4 f  126.334   7.8866  162.641   19.927      ?      ? 
1 1 1   18   17    0 o  136.955   7.1041  190.605   19.459      ?      ? 
1 1 1   18   17    1 o  105.041   9.4644  113.496   19.883      ?      ? 
1 1 1   18   17    2 f   80.296   12.235   67.458   19.648      ?      ? 
1 1 1   18   17    3 o  120.465   8.2585  148.006   19.897      ?      ? 
1 1 1   18   18    0 o  116.544   8.1041  138.566   18.890      ?      ? 
1 1 1   18   18    1 o  177.014   6.0557  316.876   21.439      ?      ? 
1 1 1   18   19    0 o  128.974   7.6656  169.347   19.773      ?      ? 
1 1 1   18   19    1 o  202.096   5.6208  412.400   22.719      ?      ? 
1 1 1   18   19    2 o  124.903   7.9325  159.046   19.816      ?      ? 
1 1 1   18   20    0 o  161.369   6.7217  264.571   21.693      ?      ? 
1 1 1   18   20    1 o  199.300   5.9937  402.260   23.891      ?      ? 
1 1 1   18   20    2 o  127.406   8.3062  166.264   21.165      ?      ? 
1 1 1   18   20    3 o  121.878   9.0163  152.710   21.978      ?      ? 
1 1 1   18   21    0 o  161.351   6.9604  264.410   22.461      ?      ? 
1 1 1   18   21    1 o  116.086   9.2892  138.514   21.567      ?      ? 
1 1 1   18   21    2 o  112.815   9.3565  130.892   21.111      ?      ? 
1 1 1   18   21    3 o  151.164   7.2096  232.395   21.797      ?      ? 
1 1 1   18   21    4 o  121.295   9.0203  151.014   21.882      ?      ? 
1 1 1   18   22    0 o  136.336   7.4962  188.533   20.440      ?      ? 
1 1 1   18   22    1 o  160.990   6.6301  262.077   21.348      ?      ? 
1 1 1   18   22    2 o  148.262   7.1241  222.652   21.125      ?      ? 
1 1 1   18   22    3 o  160.453   6.6504  260.355   21.341      ?      ? 
1 1 1   18   22    4 f  131.818   7.6718  176.409   20.226      ?      ? 
1 1 1   18   22    5 o  138.447   7.7487  194.763   21.456      ?      ? 
1 1 1   18   23    0 o  144.989   6.6660  214.311   19.330      ?      ? 
1 1 1   18   23    1 o  138.041   6.9850  194.671   19.284      ?      ? 
1 1 1   18   23    2 o  219.385   5.4338  488.221   23.842      ?      ? 
1 1 1   18   23    3 o  192.446   5.6884  377.715   21.894      ?      ? 
1 1 1   18   23    4 o  145.691   6.8336  222.958   19.912      ?      ? 
1 1 1   19    0   10 f  162.242   7.8508  267.417   25.347 -0.000000 0.000000 
1 1 1   19    0   13 o  173.300   7.7798  303.917   26.848 -0.000000 0.000000 
1 1 1   19    0   16 o  118.899   12.734  149.295   29.667 -0.000000 0.000000 
1 1 1   19    0   17 o   57.012   25.026   50.094   29.598 -0.000000 0.000000 
1 1 1   19    0   22 o  155.887   9.1796  248.214   28.413 -0.000000 0.000000 
1 1 1   19    0   23 o   24.455   16.559  -4.3150   23.061 -0.000000 0.000000 
1 1 1   19    1    3 o  156.531   7.7378  246.540   24.224      ?      ? 
1 1 1   19    1    6 o  168.613   7.8165  286.368   26.359      ?      ? 
1 1 1   19    1    7 o  166.168   8.4601  279.961   28.116      ?      ? 
1 1 1   19    1    8 o  112.575   11.375  131.388   25.610      ?      ? 
1 1 1   19    1   11 o  170.973   7.3771  297.175   25.226      ?      ? 
1 1 1   19    1   13 o  176.376   5.4940  314.649   19.373 6.557373 10.98799 
1 1 1   19    1   16 o   62.687   14.254   43.906   20.380 6.322716 28.50741 
1 1 1   19    1   17 o   44.296   18.838   6.2204   29.220      ?      ? 
1 1 1   19    1   21 o   93.719   13.977   92.740   26.198      ?      ? 
1 1 1   19    1   22 o  120.340   11.075  149.574   26.655      ?      ? 
1 1 1   19    1   23 o   41.115   17.076   15.704   23.105      ?      ? 
1 1 1   19    2    4 o  147.407   8.2215  218.620   24.238      ?      ? 
1 1 1   19    2    6 o  223.534   6.3369  502.383   28.330      ?      ? 
1 1 1   19    2   11 o   33.256   15.158 -11.4557   22.429      ?      ? 
1 1 1   19    2   12 o  135.173   9.3604  186.483   25.306      ?      ? 
1 1 1   19    2   13 f  185.928   7.5617  349.601   28.119      ?      ? 
1 1 1   19    2   15 o  124.395   11.402  160.861   28.367      ?      ? 
1 1 1   19    2   16 o   58.018   14.293   35.536   20.550 -8.276276 28.58555 
1 1 1   19    2   20 o   36.312   16.721 -16.2600   28.172      ?      ? 
1 1 1   19    2   21 o   49.735   19.056   21.291   26.600      ?      ? 
1 1 1   19    3    2 o  208.939   6.1562  438.094   25.725      ?      ? 
1 1 1   19    3    7 o  201.231   7.0194  410.217   28.250      ?      ? 
1 1 1   19    3   11 o   52.938   12.868   28.247   16.996 -13.35705 25.73617 
1 1 1   19    3   13 o  158.331   8.6157  254.544   27.283      ?      ? 
1 1 1   19    3   14 o   52.744   19.156   28.650   26.147      ?      ? 
1 1 1   19    3   15 o  110.564   12.490  127.641   27.619      ?      ? 
1 1 1   19    3   16 o   55.321   20.213   30.887   29.150      ?      ? 
1 1 1   19    3   19 f  133.448   11.100  185.518   29.626      ?      ? 
1 1 1   19    4    9 o  137.689   9.0602  194.151   24.950      ?      ? 
1 1 1   19    4   11 o  109.765   11.327  124.509   24.865      ?      ? 
1 1 1   19    4   13 o  134.792   6.9485  186.255   18.688 9.252899 13.89706 
1 1 1   19    4   15 o  121.094   11.511  151.921   27.879      ?      ? 
1 1 1   19    4   18 o  115.157   12.387  139.650   28.529      ?      ? 
1 1 1   19    4   21 o   92.872   14.760   91.059   27.415      ?      ? 
1 1 1   19    4   22 o   66.240   13.494   49.570   19.200 -16.37952 26.98822 
1 1 1   19    5   11 o  177.527   7.4860  319.160   26.579      ?      ? 
1 1 1   19    5   12 o  158.484   8.0607  254.408   25.550      ?      ? 
1 1 1   19    5   14 f   90.167   14.470   86.727   26.094      ?      ? 
1 1 1   19    5   17 o  139.975   7.6261  204.004   21.086 27.01243 15.25228 
1 1 1   19    5   18 o   51.141   19.763   23.882   28.764      ?      ? 
1 1 1   19    5   19 o   71.184   19.529   58.591   28.630      ?      ? 
1 1 1   19    5   20 o   46.087   13.333   12.667   19.625 4.578545 26.66506 
1 1 1   19    5   21 o   99.529   13.924  103.963   27.718      ?      ? 
1 1 1   19    5   22 o   47.890   19.263   17.773   28.273      ?      ? 
1 1 1   19    6    8 o  121.909   10.387  153.510   25.325      ?      ? 
1 1 1   19    6   10 o   41.738   17.382   6.8945   24.044      ?      ? 
1 1 1   19    6   12 o  130.864   9.4417  174.880   24.712      ?      ? 
1 1 1   19    6   14 o  181.066   5.7396  334.778   20.682 6.714905 11.47918 
1 1 1   19    6   16 o  161.262   9.3617  266.974   30.194      ?      ? 
1 1 1   19    6   19 o  102.096   13.819  110.508   28.218      ?      ? 
1 1 1   19    7    8 o  146.493   8.6230  219.409   25.264      ?      ? 
1 1 1   19    7   10 o  130.345   9.7067  173.202   25.304      ?      ? 
1 1 1   19    7   11 o  106.432   8.4048  119.866   17.345 24.63037 16.80953 
1 1 1   19    7   13 o   35.794   16.113  -8.0746   24.249      ?      ? 
1 1 1   19    7   15 o  242.196   6.7875  595.023   32.878      ?      ? 
1 1 1   19    7   17 o   47.567   19.122   16.861   27.838      ?      ? 
1 1 1   19    7   20 o   81.916   16.936   74.232   26.804      ?      ? 
1 1 1   19    8   12 o   56.686   18.515   35.741   24.120      ?      ? 
1 1 1   19    8   13 o   82.641   16.209   75.210   25.835      ?      ? 
1 1 1   19    8   14 o  124.614   10.577  160.718   26.361      ?      ? 
1 1 1   19    8   16 o  109.042   12.946  125.515   28.234      ?      ? 
1 1 1   19    9    0 o   89.199   10.892   82.389   19.431      ?      ? 
1 1 1   19    9   13 o  135.734   9.6656  189.506   26.239      ?      ? 
1 1 1   19   10    0 o  100.214   9.7563  103.251   19.554      ?      ? 
1 1 1   19   17    0 o  102.035   9.3999  107.385   19.182      ?      ? 
1 1 1   19   18    0 f  127.348   8.1751  165.559   20.822      ?      ? 
1 1 1   19   18    1 f   99.088   10.409  101.508   20.628      ?      ? 
1 1 1   19   19    0 o  173.689   6.4787  305.158   22.506      ?      ? 
1 1 1   19   19    1 f  167.474   6.6219  283.848   22.180      ?      ? 
1 1 1   19   19    2 o  184.258   6.3436  343.193   23.377      ?      ? 
1 1 1   19   20    0 o  112.835   9.2016  130.373   20.765      ?      ? 
1 1 1   19   20    1 o   91.862   11.050   87.312   20.301      ?      ? 
1 1 1   19   20    3 o  112.737   9.6105  130.644   21.669      ?      ? 
1 1 1   20    0   13 o   61.754   23.465   54.500   27.118 -0.000000 0.000000 
1 1 1   20    1    9 o  160.770   8.6120  264.848   27.691      ?      ? 
1 1 1   20    1   12 o  131.153   10.250  177.644   26.886      ?      ? 
1 1 1   20    1   13 o  126.512   10.851  165.802   27.455      ?      ? 
1 1 1   20    1   19 o  116.331   11.108  140.384   25.844      ?      ? 
1 1 1   20    2   11 o  124.576   10.782  160.667   26.864      ?      ? 
1 1 1   20    2   13 o   92.326   14.684   90.892   27.114      ?      ? 
1 1 1   20    2   18 o  148.245   9.3567  224.659   27.742      ?      ? 
1 1 1   20    2   19 o  110.090   12.469  127.181   27.453      ?      ? 
1 1 1   20    3   13 o  122.759   11.304  156.728   27.754      ?      ? 
1 1 1   20    3   17 o  108.757   9.2601  124.434   20.071 10.87100 18.52021 
1 1 1   20    3   18 o  186.988   7.9456  355.310   29.715      ?      ? 
1 1 1   20    3   19 o  115.180   12.335  139.812   28.415      ?      ? 
1 1 1   20    4   13 f   53.734   19.407   29.547   26.804      ?      ? 
1 1 1   20    4   16 o   80.732   18.326   74.612   28.920      ?      ? 
1 1 1   20    5    9 o   94.613   13.913   94.336   26.328      ?      ? 
1 1 1   20    5   12 o   67.444   18.331   51.931   25.369      ?      ? 
1 1 1   20    5   15 o  122.131   11.446  155.183   27.959      ?      ? 
1 1 1   20    5   19 o   51.630   18.969   36.251   25.703      ?      ? 
1 1 1   20    6   14 o  163.555   8.8268  274.243   28.873      ?      ? 
1 1 1   20    7   13 o   99.680   13.668  105.756   27.248      ?      ? 
1 1 1   20    7   16 o  157.359   8.8860  252.713   27.966      ?      ? 
1 1 1   20    8   12 o  102.807   12.498  111.533   25.698      ?      ? 
1 1 1   20    9   11 o   73.650   17.258   61.992   25.004      ?      ? 
1 1 1   20    9   13 o  206.765   7.4798  435.138   30.931      ?      ? 
#END OF REFLECTIONS
